A0A061I7D3_CRIGR Loading...

SAM domain-containing protein SAMSN-1

Negative regulator of B-cell activation. Down-regulates cell proliferation (in vitro). Promotes RAC1-dependent membrane ruffle formation and reorganization of the actin cytoskeleton. Regulates cell spreading and cell polarization. Stimulates HDAC1 activity. Regulates LYN activity by modulating its tyrosine phosphorylation.

AlphaFold DB , UniProt , Accession A0A061I7D3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 372 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.1Very low52.3Low226 Ų226161.2 Ų161.2100%1.11384%0.844SS**  094.70-71.6163.27000108.8
2L48.8Very low52.1Low149 Ų149164.3 Ų164.378%0.7885%0.845SS**  trans-74.4125.3172.5-9673.5000109
3K60.6Low51.7Low201 Ų201163.5 Ų163.587%0.87484%0.836SS**  trans-109109.1166.6-75.3-85.1-177.1171.90108.5
4R58.3Low51.5Low214 Ų214165.9 Ų165.981%0.80884%0.837SS**  trans-101.4133.4164.2-76.8-175.7175.1121.7-2.6109.3
5K56.3Low51.3Low189 Ų189164.5 Ų164.582%0.82283%0.826SS**  trans38.5152.4147.5-53.1-157.6174.1-173.50121
6P58.3Low51.3Low125 Ų125166.2 Ų166.281%0.81283%0.83SS**  -135.51478233.5-17.6000115.2
7S48.1Very low51.7Low94 Ų94167.3 Ų167.366%0.65783%0.829SS**  trans-64.7142.9157.537.90000111.4
8N48.2Very low52Low176 Ų176164.4 Ų164.494%0.94183%0.825SS**  trans-155136.3146-109.3-19.8000112
9A47.3Very low52.4Low96 Ų96166.9 Ų166.979%0.79383%0.83SS**  trans-92.8145.9-177.700000111.3
10S53.5Low52Low114 Ų114170.3 Ų170.380%0.79783%0.832SS**  trans-160.6106.4149.2540000105.5
11E48.4Very low51.8Low189 Ų189168 Ų16888%0.88383%0.833SS**  51.388.871.6-154.1177.7-145.100112.3
12K50.9Low51.6Low199 Ų199162.4 Ų162.487%0.86582%0.816SS**  -171.8106.3127.1-101.6171-173.5179.40111.7
13E46.9Very low51.6Low154 Ų154161 Ų16172%0.7282%0.819SS**  trans-56129.4162.5-168.1174.7-174.700110.9H15E13-H15 VanDerWaalsContact CD-CE1 3.49Å; E13-H15 IonicContact OE1-CE1 2.97Å; E13-H15 PolarHBondContact OE1-CE1 3.24Å; E13-H15 IonicContact OE1-ND1 3.61Å; E13-H15 IonicContact OE1-NE2 3.71Å
14K48.8Very low50.9Low197 Ų197161.1 Ų161.186%0.85782%0.82SS**  trans-119.6102.8161.3-85.9-172.7178.3179.50108.3Q16K14-Q16 PolarHBondContact O-N 3.35Å
15H48.1Very low50.5Low144 Ų144154.1 Ų154.167%0.66781%0.814SS**  trans-55.8114.9168.6-58.2-74.8000111E13E13-H15 VanDerWaalsContact CD-CE1 3.49Å; E13-H15 IonicContact OE1-CE1 2.97Å; E13-H15 PolarHBondContact OE1-CE1 3.24Å; E13-H15 IonicContact OE1-ND1 3.61Å; E13-H15 IonicContact OE1-NE2 3.71Å
16Q51.5Low49.9Very low192 Ų192153.4 Ų153.490%0.89782%0.82SS**  trans-97.9103.3154.3-82.9-172.62.600108K14K14-Q16 PolarHBondContact O-N 3.35Å
17K57.7Low49.1Very low185 Ų185156.3 Ų156.380%0.80482%0.82SS**  trans-69.9131169-64.5179.6179179.80108.9K19K17-K19 PolarHBondContact O-N 3.22Å
18P57.5Low48.9Very low116 Ų116157 Ų15775%0.75382%0.816SS**  trans-70.9123.5162.227.2-29.3000108.9R20P18-R20 PolarHBondContact O-N 3.48Å
19K58.7Low48.8Very low212 Ų212160.7 Ų160.792%0.92282%0.817SS**  trans-65.5104.5170.8-69.7179.9-179.8177.60108.4K17 S21K17-K19 PolarHBondContact O-N 3.22Å; K19-S21 PolarHBondContact O-N 3.49Å
20R44.6Very low48.6Very low234 Ų234164.2 Ų164.288%0.88381%0.814SS**  trans-67.4116.6157.9-76.4177.8144.1106.7-3.2107.5P18 S22P18-R20 PolarHBondContact O-N 3.48Å; R20-S22 PolarHBondContact O-N 3.47Å
21S47.6Very low48Very low122 Ų122168.8 Ų168.885%0.85381%0.814SS**  trans-86.510216062.40000108.2K19K19-S21 PolarHBondContact O-N 3.49Å
22S44.4Very low47.6Very low108 Ų108166.3 Ų166.376%0.75581%0.807SS**  trans-94.1106.6160.458.90000107.2R20R20-S22 PolarHBondContact O-N 3.47Å
23S48.7Very low47Very low119 Ų119163.5 Ų163.583%0.83280%0.802SS**  trans-108.999162.7-1770000107.4
24F45.6Very low46.6Very low205 Ų205160 Ų16090%0.89979%0.794SS**  trans-76133.6166-112.1-100000108.4
25G49.3Very low46.2Very low67 Ų67158.5 Ų158.569%0.69179%0.794SS**  trans91.799.6152.100000117.1
26N44Very low45.8Very low174 Ų174157.1 Ų157.193%0.9380%0.8SS**  trans-152.494.1135-129.813.9000109
27F42Very low45.3Very low186 Ų186157.8 Ų157.882%0.81680%0.8SS**  trans-107.5139.6171.9-135-98.7000107.2
28D42.9Very low44.3Very low107 Ų107155 Ų15557%0.57280%0.804SS**  trans63.398.3167.8-65.4-31.5000119.6F30D28-F30 HydrophobicContact CB-CD2 4.36Å; D28-F30 VanDerWaalsContact OD1-CD2 3.27Å; D28-F30 WeakPolarHBondContact OD1-CD2 3.48Å; D28-F30 WeakPolarHBondContact OD1-CE2 3.39Å
29R47Very low43.2Very low255 Ų255157.3 Ų157.396%0.96281%0.81SS**  trans-125.668.3144.4-138.6-177.8-101.4-111.73109.5
30F42.8Very low41.8Very low169 Ų169154.4 Ų154.474%0.74180%0.804SS**  trans-64.5141.1163-76.5-77.5000110D28D28-F30 HydrophobicContact CB-CD2 4.36Å; D28-F30 VanDerWaalsContact OD1-CD2 3.27Å; D28-F30 WeakPolarHBondContact OD1-CD2 3.48Å; D28-F30 WeakPolarHBondContact OD1-CE2 3.39Å
31R41.1Very low41.5Very low210 Ų210146.8 Ų146.879%0.79279%0.787SS**  trans106.1113.8134.8-159.2176-69.8-105.86.6118.7
32N39.9Very low40.7Very low138 Ų138147 Ų14774%0.73878%0.783SS**  trans78.4144.4151.9-57.5-4.9000117.9
33N37Very low40.1Very low140 Ų140150.7 Ų150.775%0.74979%0.788SS**  cis-161.1149.99.3-150.436.3000110.5
34S38.4Very low39.3Very low79 Ų79151 Ų15155%0.55279%0.785SS**  trans44.9128.6138.568.40000124.8
35I40.8Very low38.7Very low167 Ų167149.7 Ų149.786%0.85678%0.781SS**  59.8121.4129.1-73.4155.5000119.7
36S39.4Very low37.7Very low114 Ų114154.4 Ų154.480%0.79779%0.785SS**  -167.1128.7128.654.20000111.5
37K42.2Very low37.2Very low207 Ų207149.5 Ų149.590%0.978%0.776SS**  trans-71.9160.3160.9-66.6179.1174.51800109.4
38S35.9Very low36.5Very low126 Ų126148.8 Ų148.888%0.88178%0.775SS**  trans-130.5129.8158.356.50000109.5
39D33.7Very low35.8Very low164 Ų164150.3 Ų150.388%0.87778%0.783SS**  trans-127.5126.5176.4-157.2-5000104.5
40D30.6Very low34.9Very low152 Ų152142.8 Ų142.881%0.81377%0.765SS**  trans-179.4136.9173-151.845.4000107.5
41S37.4Very low34.2Very low73 Ų73142.2 Ų142.251%0.5177%0.77SS.*  cis-179.4146.8-2254.30000106
42T31.3Very low33.6Very low128 Ų128135.6 Ų135.679%0.78577%0.767SS**  trans62.7143.1153.657.90000118.3
43E31.2Very low33.2Very low184 Ų184134 Ų13486%0.8677%0.766SS**  cis-164.6169.126.8-138.5175.1-163.800110.4
44V33.4Very low33.1Very low126 Ų126134.8 Ų134.876%0.76477%0.766SS**  trans-81.4142.4-168.5-179.30000112.8
45H31.3Very low32.9Very low177 Ų177138.1 Ų138.182%0.81977%0.772SS**  trans-162.7150.3135.2-146.235.7000115.1
46E30.2Very low32.8Very low166 Ų166136.6 Ų136.678%0.77676%0.762SS**  trans-86174.2-164.4-63172.7124.900115.5
47G32.2Very low32.7Very low71 Ų71138.2 Ų138.273%0.73276%0.762SS**  trans123.293.1153.600000113
48E27.9Very low32.5Very low171 Ų171137.1 Ų137.180%0.79976%0.757SS**  82.3115.858.3-166.7167.9130.200114.5
49L27.5Very low32.4Very low139 Ų139136.4 Ų136.473%0.72875%0.747SS**  trans68.3143.6157.7-64.7167.3000117.8
50T29.4Very low32.3Very low97 Ų97133 Ų13360%0.59574%0.737SS**  cis-174.2152.416.115.90000110.8
51N26.9Very low32.6Very low157 Ų157132.6 Ų132.684%0.8473%0.734SS**  trans64.5136.4145.3-55-22.7000119
52G28.6Very low32.4Very low71 Ų71135.4 Ų135.473%0.73275%0.749SS**  cis172.11685.600000109.7
53S32.3Very low32.5Very low104 Ų104133.2 Ų133.273%0.72775%0.752SS**  trans67.1136.8175.9-101.90000116.8
54E34.4Very low32.9Very low158 Ų158128 Ų12874%0.73875%0.747SS**  cis-164.4131.72.9-126.5155.5160.300106.5
55E34.6Very low33.6Very low148 Ų148130 Ų13069%0.69275%0.754SS**  trans72.3120133.5-76.4-162.2138.800124
56Q38.7Very low34.6Very low136 Ų136129 Ų12964%0.63675%0.753SS**  trans80.992133.8-62.317823.400119.1
57N37.5Very low35.7Very low148 Ų148124.5 Ų124.579%0.79175%0.752SS**  173.4114.490.5-86.3-50.8000113.9
58K37.4Very low37.1Very low183 Ų183130.6 Ų130.680%0.79676%0.758SS**  trans56.789.8131.9-145.6163.8-1771780120.9
59T33Very low38.5Very low111 Ų111132 Ų13268%0.68176%0.762SS**  41.2106.9122.665.20000118.2
60S32Very low39.9Very low94 Ų94134.3 Ų134.366%0.65777%0.771SS**  88.6121.282.1750000113.6
61N38.5Very low41.6Very low142 Ų142140.7 Ų140.776%0.75978%0.784SS**  162.7106.9125.4-78.6-17.5000107.9
62T33Very low43.2Very low133 Ų133137.9 Ų137.982%0.81678%0.782SS**  88.1104.695.3-58.20000112.2
63G32.9Very low44.6Very low82 Ų82142.5 Ų142.585%0.84579%0.789SS**  76.9119.2125.300000118.3
64G39.9Very low46Very low75 Ų75142.1 Ų142.177%0.77379%0.786SS**  trans158.665.8155.300000116L66G64-L66 PolarHBondContact O-N 3.19Å
65N48.3Very low46.9Very low168 Ų168144.9 Ų144.990%0.89879%0.79SS**  trans-57.5118.4158.7-89.122.6000109.4
66L52.5Low48.4Very low155 Ų155143.3 Ų143.381%0.81279%0.791SS**  trans-126.787.2167.3-144.781.9000110.3G64 K68G64-L66 PolarHBondContact O-N 3.19Å; L66-K68 PolarHBondContact O-N 3.21Å
67G51.4Low49.1Very low72 Ų72143.7 Ų143.774%0.74279%0.794SS**  trans-65116.9171.400000111.1K69G67-K69 PolarHBondContact O-N 3.23Å
68K63.4Low50.4Low198 Ų198146.3 Ų146.386%0.86180%0.798SS**  trans-84.889.1169.9-66.8-179.5-177.5177.70108.9L66 M70L66-K68 PolarHBondContact O-N 3.21Å; K68-M70 PolarHBondContact O-N 3.13Å
69K57Low51.8Low201 Ų201146.2 Ų146.287%0.87480%0.798SS**  trans-74.1108.8165.7-68.2-178.6177.41790108.2G67 R71G67-K69 PolarHBondContact O-N 3.23Å; K69-R71 PolarHBondContact O-N 3.14Å
70M56.4Low53.5Low188 Ų188150.2 Ų150.293%0.92681%0.806SS**  trans-68.2119.5172.3-157.315175.600108.5K68 A72K68-M70 PolarHBondContact O-N 3.13Å; M70-A72 PolarHBondContact O-N 2.73Å
71R64.7Low54.7Low231 Ų231150.7 Ų150.787%0.87281%0.805SS**  trans-80.9112172.6-81.8-169.9-85.1-141.8-2.1108.3K69 I73K69-R71 PolarHBondContact O-N 3.14Å; R71-I73 PolarHBondContact O-N 2.84Å
72A60.1Low55.2Low97 Ų97147 Ų14780%0.80280%0.8SS**  trans-65121.1168.300000109.1M70 S74M70-A72 PolarHBondContact O-N 2.73Å; A72-S74 PolarHBondContact O-N 3.41Å
73I59.3Low56.5Low168 Ų168150.1 Ų150.186%0.86280%0.802SS**  trans-88.4105.1174.2-48.7173.2000106.2R71R71-I73 PolarHBondContact O-N 2.84Å
74S61.1Low57.6Low97 Ų97155.3 Ų155.368%0.67880%0.802SS**  trans-80.3118.1174.2430000110.2A72 T76A72-S74 PolarHBondContact O-N 3.41Å; S74-T76 PolarHBondContact O-N 3.33Å
75W54.3Low57.8Low215 Ų215161.9 Ų161.981%0.81481%0.805SS**  trans-75.693.4174.8-160.1179.2000109.4M77W75-M77 HydrophobicContact CD2-CG 3.86Å; W75-M77 HydrophobicContact CE3-CG 4.2Å; W75-M77 HydrophobicContact CG-CG 4.32Å; W75-M77 HydrophobicContact CH2-CG 4.4Å; W75-M77 HydrophobicContact CZ2-CG 4.06Å; W75-M77 HydrophobicContact CZ3-CG 4.45Å; W75-M77 PolarHBondContact O-N 3.45Å
76T66.1Low57.9Low115 Ų115162.4 Ų162.471%0.70681%0.806SS**  trans-88.185.6172.352.10000110.6S74 K78S74-T76 PolarHBondContact O-N 3.33Å; T76-K78 PolarHBondContact O-N 3.47Å; T76-K78 VanDerWaalsContact O-N 3.13Å
77M52Low57.6Low145 Ų145164 Ų16471%0.71481%0.806SS**  trans-70.3104.2169.1-66.5-177.172.700110.1W75 K79W75-M77 HydrophobicContact CD2-CG 3.86Å; W75-M77 HydrophobicContact CE3-CG 4.2Å; W75-M77 HydrophobicContact CG-CG 4.32Å; W75-M77 HydrophobicContact CH2-CG 4.4Å; W75-M77 HydrophobicContact CZ2-CG 4.06Å; W75-M77 HydrophobicContact CZ3-CG 4.45Å; W75-M77 PolarHBondContact O-N 3.45Å; M77-K79 PolarHBondContact O-N 3.21Å
78K65.4Low57.1Low202 Ų202164.9 Ų164.988%0.87881%0.806SS**  trans-90.288.8167.7-170.8177.1174.1177.10109.5T76 K80T76-K78 PolarHBondContact O-N 3.47Å; T76-K78 VanDerWaalsContact O-N 3.13Å; K78-K80 PolarHBondContact O-N 2.99Å; K78-K80 VanDerWaalsContact O-N 3.09Å
79K67.5Low55.7Low182 Ų182163.3 Ų163.379%0.79181%0.806SS**  trans-69.6103.6174.6-16117589.5166.50110M77 V81M77-K79 PolarHBondContact O-N 3.21Å; K79-V81 PolarHBondContact O-N 3.24Å
80K67Low54.7Low194 Ų194158.8 Ų158.884%0.84380%0.8SS**  trans-82.6101.2168.4-170.2159.482.7176.90108.5K78 G82K78-K80 PolarHBondContact O-N 2.99Å; K78-K80 VanDerWaalsContact O-N 3.09Å; K80-G82 PolarHBondContact O-N 3.17Å
81V57.8Low53.6Low105 Ų105157.9 Ų157.964%0.63679%0.794SS**  trans-72.3114167.3174.80000107.7K79 K83K79-V81 PolarHBondContact O-N 3.24Å; V81-K83 PolarHBondContact O-N 3.09Å
82G49.1Very low52.1Low64 Ų64156 Ų15666%0.6680%0.795SS**  trans-71.7111.9169.100000109.5K80 K84K80-G82 PolarHBondContact O-N 3.17Å; G82-K84 PolarHBondContact O-N 3.43Å
83K60.4Low50.8Low198 Ų198159.5 Ų159.586%0.86179%0.792SS**  trans-68.4112.3163.8-70.5175.4174.31790107.9V81V81-K83 PolarHBondContact O-N 3.09Å
84K56.7Low49.5Very low191 Ų191158.9 Ų158.983%0.8379%0.785SS**  trans-121.4101.3159.6-68.5-171.8-177.5-178.50108.6G82G82-K84 PolarHBondContact O-N 3.43Å
85Y44.4Very low48.2Very low214 Ų214163 Ų16384%0.83979%0.794SS**  trans36.9104.8144-53.7-77.8000119.2K87Y85-K87 PolarHBondContact O-N 3.28Å
86I49.5Very low47.4Very low179 Ų179161.2 Ų161.292%0.91879%0.794SS**  trans-69.7109.5149.1-60.4162.5000106.7
87K46.2Very low45.7Very low188 Ų188163.2 Ų163.282%0.81780%0.801SS**  trans-160.680.3159.3-161.7171.4-176.4178.30111.8Y85Y85-K87 PolarHBondContact O-N 3.28Å
88A40.1Very low44.7Very low91 Ų91159.5 Ų159.575%0.75280%0.8SS**SBendtrans-149.681.9151.600000104.9
89L35.7Very low43.2Very low164 Ų164158.2 Ų158.286%0.85980%0.797SS**  55.267.7109.4-62.7179.6000113.4
90S35.1Very low41.5Very low106 Ų106158.5 Ų158.574%0.74180%0.801SS**  -69.6145.9129.357.50000106.9
91E33.3Very low39.8Very low169 Ų169153.9 Ų153.979%0.7980%0.799SS**  cis-175134.719.5160.2178.7-171.400104.4
92E32.2Very low38.8Very low193 Ų193156.8 Ų156.890%0.90281%0.811SS**  trans-152134.4142.5-143.5172.7170.200109.1
93K34.3Very low38.5Very low169 Ų169159.3 Ų159.374%0.73582%0.815SS**  trans-49.5159.9171-72.3162.3158.9168.90110.5
94E31.8Very low36.9Very low156 Ų156159.3 Ų159.373%0.72981%0.811SS**  177.9144.254.9-159.7157.2-154.100108.5
95E32.8Very low35.7Very low183 Ų183158.6 Ų158.686%0.85580%0.803SS**  trans66.3139.1150-77.9175.9173.800124.6
96E37.5Very low35.1Very low177 Ų177154.1 Ų154.183%0.82779%0.794SS**  trans-105152.2-175.2-173.7-165.4155.200109.2
97N31.3Very low34.3Very low158 Ų158151.2 Ų151.285%0.84579%0.789SS**  trans84.5128152.5-148.319.8000118.7
98G31.5Very low33.8Very low67 Ų67149.3 Ų149.369%0.69179%0.788SS**  trans162.688.2174.300000114.2
99E33.6Very low34.2Very low175 Ų175150 Ų15082%0.81879%0.785SS**  trans-24.4161.3163.464.4-149.4143.500123
100E31.8Very low33.8Very low187 Ų187149.7 Ų149.787%0.87478%0.781SS**  trans96.8133.9150.3-77.7-168.2161.600123.3
101A30Very low33.6Very low98 Ų98151.9 Ų151.981%0.8178%0.783SS**  trans95.3101.6152.300000120.2
102L37.7Very low33.6Very low166 Ų166146.5 Ų146.587%0.86977%0.773SS**  trans-71.3158.5148.3-53.8-178.5000109.2
103P42.1Very low33.5Very low117 Ų117143.9 Ų143.976%0.7677%0.771SS**  -155.4153.181.441.6-21.3000117.9
104Y26.5Very low33.4Very low197 Ų197144 Ų14477%0.77377%0.773SS**  trans62.8121134.5-100.1-130.7000124.5
105R32.9Very low33.5Very low177 Ų177141.6 Ų141.667%0.66877%0.769SS**  78.1122.8126.4-64.2-77.9-102.7-150-10.3122.6
106N30.6Very low33.5Very low119 Ų119141.1 Ų141.164%0.63677%0.767SS**  46.9126.1124.7-57.1-10.7000119.6
107S34.3Very low33.8Very low118 Ų118141.6 Ų141.683%0.82577%0.766SS**  164.1122.5103.5-63.60000110.9
108D34.5Very low33.9Very low148 Ų148141.8 Ų141.879%0.79177%0.766SS**  trans-73.3159.7144.1-134.7-7.3000106.7
109P48Very low33.9Very low106 Ų106142.5 Ų142.569%0.68876%0.76SS**  -160175.851.545.2-22.5000118.3
110M27.1Very low34.2Very low157 Ų157141 Ų14177%0.77376%0.757SS**  trans85.7126.6133.2-156.7152.6174.700123.2
111I32.2Very low34.4Very low152 Ų152140.4 Ų140.478%0.77975%0.751SS**  trans70.9140.3148.4-108.782.4000118.4
112G32Very low34.4Very low57 Ų57139.4 Ų139.459%0.58874%0.744SS**  cis178.1165.43.800000114.4
113T31.4Very low34.3Very low138 Ų138136.5 Ų136.585%0.84774%0.737SS**  trans73.4127.5143.649.80000125.6
114H31.2Very low34Very low171 Ų171138 Ų13879%0.79274%0.739SS**  trans82.4134.3148.5123-61.4000117.2
115T34.7Very low34.4Very low105 Ų105133 Ų13364%0.64473%0.732SS**  cis-155.9143.212.521.10000111.1
116E32.4Very low35Very low173 Ų173132.3 Ų132.381%0.80874%0.739SS**  trans12.4133.9149.7-50.4-175.1167.100120.2
117K43.3Very low35.3Very low187 Ų187133.9 Ų133.981%0.81375%0.747SS**  -169.1136.696.8-60.8-151.7-178174.20112.1
118I35Very low35.5Very low162 Ų162133 Ų13383%0.83174%0.741SS**  trans66.4137151.6-92.380.6000116.8
119S31.6Very low35.8Very low83 Ų83134.3 Ų134.358%0.5875%0.747SS**  cis-176.6120.9-15.7165.80000104.5
120L38.8Very low35.2Very low143 Ų143140 Ų14075%0.74976%0.756SS**  trans50.2133.2142.6-51.2177.8000119.3
121K35.3Very low36Very low174 Ų174138.2 Ų138.276%0.75776%0.76SS**  cis-170.41343.7-100.5-65.6174.4175.10104.3
122A30Very low36.2Very low78 Ų78134.6 Ų134.665%0.64576%0.759SS**  66.4143.790.600000112.9
123S37.3Very low36.6Very low104 Ų104140.9 Ų140.973%0.72777%0.773SS**  cis-171162.5-3.9-88.90000103.2
124D34Very low36.6Very low149 Ų149140 Ų14080%0.79777%0.773SS**  176.3129.278-120.1-7.7000105.1
125S35.5Very low37.2Very low92 Ų92137.8 Ų137.864%0.64378%0.777SS**  78.8111.975.7-166.70000113.6
126M44.9Very low37.4Very low163 Ų163138.3 Ų138.380%0.80379%0.785SS**  trans23.8123.6133-54.6-70.1-80.400118.2
127D37.4Very low37.9Very low152 Ų152135.8 Ų135.881%0.81379%0.786SS**  trans178.6114.5134-103.6-58.7000107.4
128S39.1Very low37.8Very low99 Ų99129.8 Ų129.869%0.69278%0.778SS**  101.6139.989.875.40000112.4Y130S128-Y130 PolarHBondContact O-N 2.9Å
129L39.7Very low38.4Very low175 Ų175130.1 Ų130.192%0.91678%0.779SS**  trans-67.2123.2179.5-65.7158000109.6
130Y36.1Very low38.8Very low225 Ų225132.1 Ų132.188%0.88279%0.788SS**  trans-132.2115.5155.4-132-95.6000109.1S128 G132S128-Y130 PolarHBondContact O-N 2.9Å; Y130-G132 PolarHBondContact O-N 3.38Å
131S44.8Very low39.2Very low121 Ų121130.6 Ų130.685%0.84679%0.79SS**  trans-58.7129.7165.9-62.60000109.6
132G35.2Very low39.3Very low75 Ų75127.8 Ų127.877%0.77379%0.791SS**  trans-150.683.5179.600000110Y130 S134Y130-G132 PolarHBondContact O-N 3.38Å; G132-S134 PolarHBondContact O-N 3.23Å
133Q39.8Very low39.9Very low189 Ų189128.7 Ų128.788%0.88379%0.792SS**  trans-42.3125.3169-168.5154.118.400112.5
134S32.3Very low40.3Very low119 Ų119131 Ų13183%0.83280%0.796SS**  trans-171128.7145.6-82.50000112.4G132G132-S134 PolarHBondContact O-N 3.23Å
135S44Very low40.5Very low125 Ų125127.6 Ų127.687%0.87480%0.796SS**  trans-64.6138174.6-49.90000112.6
136S39.4Very low41.6Very low116 Ų116130.1 Ų130.181%0.81181%0.808SS**  trans-172.380.5158.7175.10000108.6G138S136-G138 PolarHBondContact O-N 3.07Å
137S43.2Very low41.9Very low121 Ų121127.6 Ų127.685%0.84681%0.806SS**  trans-78.796.8167.446.60000108.1
138G40.5Very low42.5Very low61 Ų61128.5 Ų128.563%0.62981%0.811SS**  trans-61.2131.8167.100000110.7S136 T140S136-G138 PolarHBondContact O-N 3.07Å; G138-T140 PolarHBondContact O-N 3.43Å
139I46.6Very low43Very low169 Ų169134.7 Ų134.787%0.86782%0.819SS**  trans-69.9106.5172.2-46.3160.5000106.1
140T41.5Very low43.4Very low124 Ų124132 Ų13276%0.76181%0.806SS**  trans-99.896162.458.80000108.2G138 C142G138-T140 PolarHBondContact O-N 3.43Å; T140-C142 PolarHBondContact O-N 3.39Å
141S46.2Very low43.9Very low112 Ų112125.8 Ų125.878%0.78380%0.795SS**  trans-53.2122.4156.4179.70000109.3
142C37.3Very low43.9Very low115 Ų115128.6 Ų128.678%0.77779%0.792SS**  trans-146.491.8158.845.40000108.2T140T140-C142 PolarHBondContact O-N 3.39Å
143S43.4Very low44.4Very low97 Ų97135.4 Ų135.468%0.67880%0.795SS**  trans-68.7155.4154.1-167.70000109.2
144D45.1Very low45.2Very low153 Ų153134.1 Ų134.182%0.81879%0.793SS**  trans101.193.9162.2-50.3-15.8000116.8
145G38.2Very low45.9Very low76 Ų76135.3 Ų135.378%0.78479%0.79SS**  trans-143.471.4168.100000111.3S147G145-S147 PolarHBondContact O-N 3.38Å
146T59.9Low46.2Very low146 Ų146135.4 Ų135.490%0.89678%0.781SS**  trans-65.5116.1164.862.60000108.5
147S50.8Low47.1Very low109 Ų109137.2 Ų137.276%0.76278%0.781SS**  trans-160.7126.8150.956.20000111G145 R149G145-S147 PolarHBondContact O-N 3.38Å; S147-R149 PolarHBondContact O-N 3.41Å
148N49.8Very low48.1Very low171 Ų171135.1 Ų135.191%0.91477%0.767SS**  trans-51.8114.5176.3-56.4-47.4000110.7
149R48.3Very low49.6Very low229 Ų229135 Ų13586%0.86476%0.755SS**  trans-109.798.9153.5-160.1-180176.3-174-0.7107.7S147 S151S147-R149 PolarHBondContact O-N 3.41Å; R149-S151 PolarHBondContact O-N 3.39Å
150D48.1Very low51.2Low120 Ų120130.6 Ų130.664%0.64273%0.728SS**  trans-45104.9164.5-132.9-6.5000109.9F152D150-F152 VanDerWaalsContact OD1-CD2 3.32Å; D150-F152 WeakPolarHBondContact OD1-CD2 3.47Å; D150-F152 WeakPolarHBondContact OD1-CE2 3.17Å; D150-F152 WeakPolarHBondContact OD1-CZ 3.46Å; D150-F152 WeakPolarHBondContact OD2-CE2 3.31Å
151S47.7Very low53.1Low94 Ų94130.1 Ų130.166%0.65773%0.73SS**  trans-133.377.5163.563.70000108.1R149 R153R149-S151 PolarHBondContact O-N 3.39Å; S151-R153 PolarHBondContact O-N 3.36Å
152F43.9Very low54.9Low179 Ų179126 Ų12679%0.78570%0.704SS**  trans-60.676.3154.1-51.4-71.4000108.8D150D150-F152 VanDerWaalsContact OD1-CD2 3.32Å; D150-F152 WeakPolarHBondContact OD1-CD2 3.47Å; D150-F152 WeakPolarHBondContact OD1-CE2 3.17Å; D150-F152 WeakPolarHBondContact OD1-CZ 3.46Å; D150-F152 WeakPolarHBondContact OD2-CE2 3.31Å
153R47.1Very low57.3Low218 Ų218125.7 Ų125.782%0.82370%0.701SS**  trans-90100.4154.3-74.4-164.5169.3159.6-1.3105.9S151S151-R153 PolarHBondContact O-N 3.36Å
154L55.8Low59.6Low162 Ų162125.2 Ų125.285%0.84869%0.687SS**SBendtrans-41.9137.3150.9-85.7151.3000108.6
155D47.8Very low61.8Low145 Ų145120.6 Ų120.678%0.77567%0.666SS**  trans78.771.3-170.7-65.9-75.7000114.9
156D50.4Low64.4Low127 Ų127118.3 Ų118.368%0.67964%0.642SS**  trans-115.573156-155.1139.7000108.3S158D156-S158 PolarHBondContact O-N 3.27Å; D156-S158 WeakPolarHBondContact OD2-CA 3.41Å; D156-S158 WeakPolarHBondContact OD2-CB 3.33Å; D156-S158 PolarHBondContact OD2-N 2.79Å
157D57.7Low66.1Low153 Ų153115.2 Ų115.282%0.81861%0.614SS**  trans-74.920.3160-93.3-40.8000110.3P159D157-P159 VanDerWaalsContact O-CD 3.23Å; D157-P159 WeakPolarHBondContact O-CD 3.28Å
158S63.3Low68.2Low78 Ų78110 Ų11055%0.54558%0.578SS.*PPolyproline II helixtrans-73.4119.2172.7-158.90000107.6D156 Y160D156-S158 PolarHBondContact O-N 3.27Å; D156-S158 WeakPolarHBondContact OD2-CA 3.41Å; D156-S158 WeakPolarHBondContact OD2-CB 3.33Å; D156-S158 PolarHBondContact OD2-N 2.79Å; S158-Y160 PolarHBondContact O-N 3.41Å
159P73.6Confident70.5Confident59 Ų59106.7 Ų106.738%0.38355%0.553SS.*PPolyproline II helixtrans-55.6130.7172.2-20.232.4000108.1D157 S161D157-P159 VanDerWaalsContact O-CD 3.23Å; D157-P159 WeakPolarHBondContact O-CD 3.28Å; P159-S161 PolarHBondContact O-N 3.34Å; P159-S161 PolarHBondContact O-OG 2.9Å
160Y80Confident72.8Confident76 Ų7695.9 Ų95.930%0.29851%0.512SS..PPolyproline II helixtrans-50117.1177.1168.8-91.9000109.6S158 G162 P163 F164 I195 V211S158-Y160 PolarHBondContact O-N 3.41Å; Y160-G162 VanDerWaalsContact CE1-CA 3.48Å; Y160-G162 WeakPolarHBondContact CE1-O 3.49Å; Y160-G162 WeakPolarHBondContact OH-CA 3.24Å; Y160-P163 WeakPolarHBondContact CE1-O 3.15Å; Y160-P163 PolarHBondContact OH-O 3.09Å; Y160-F164 HydrophobicContact CD1-CD1 4.45Å; Y160-F164 AromaticContact CD1-CE1 3.57Å; Y160-F164 HydrophobicContact CD1-CE1 3.57Å; Y160-F164 AromaticContact CD1-CZ 3.64Å; Y160-F164 HydrophobicContact CD1-CZ 3.64Å; Y160-F164 HydrophobicContact CE1-CD1 4.18Å; Y160-F164 AromaticContact CE1-CE1 3.73Å; Y160-F164 HydrophobicContact CE1-CE1 3.73Å; Y160-F164 HydrophobicContact CE1-CZ 4.02Å; Y160-I195 HydrophobicContact CD1-CD1 3.55Å; Y160-I195 HydrophobicContact CD1-CG1 3.83Å; Y160-I195 HydrophobicContact CD2-CD1 4.02Å; Y160-I195 HydrophobicContact CE1-CB 4.36Å; Y160-I195 HydrophobicContact CE1-CD1 3.72Å; Y160-I195 HydrophobicContact CE1-CG1 3.53Å; Y160-I195 HydrophobicContact CE1-CG2 4.07Å; Y160-I195 HydrophobicContact CE2-CD1 4.18Å; Y160-I195 HydrophobicContact CE2-CG2 3.98Å; Y160-I195 HydrophobicContact CG-CD1 3.7Å; Y160-I195 HydrophobicContact CG-CG1 4.45Å; Y160-I195 WeakPolarHBondContact OH-CG2 3.28Å; Y160-V211 VanDerWaalsContact CB-CG2 3.49Å; Y160-V211 HydrophobicContact CG-CG2 4.25Å
161S80.6Confident75.1Confident114 Ų11493.2 Ų93.280%0.79750%0.496SS*.  trans-102.115-176.9-59.20000111.9P159P159-S161 PolarHBondContact O-N 3.34Å; P159-S161 PolarHBondContact O-OG 2.9Å
162G83.4Confident77.5Confident24 Ų2491.3 Ų91.325%0.24748%0.48CS..SBendtrans-86.4174.5176.900000112.5Y160Y160-G162 VanDerWaalsContact CE1-CA 3.48Å; Y160-G162 WeakPolarHBondContact CE1-O 3.49Å; Y160-G162 WeakPolarHBondContact OH-CA 3.24Å
163P88.9Confident80Confident110 Ų11087.8 Ų87.871%0.71447%0.47SS*.  trans-68.2150.6179.628.6-34.5000111.7Y160Y160-P163 WeakPolarHBondContact CE1-O 3.15Å; Y160-P163 PolarHBondContact OH-O 3.09Å
164F92.1Very high82.3Confident86 Ų8680 Ų8038%0.37744%0.442SS..  trans-105.4142.6170.4-59.4-73.6000110Y160 D193 I194 I195 M206Y160-F164 HydrophobicContact CD1-CD1 4.45Å; Y160-F164 AromaticContact CD1-CE1 3.57Å; Y160-F164 HydrophobicContact CD1-CE1 3.57Å; Y160-F164 AromaticContact CD1-CZ 3.64Å; Y160-F164 HydrophobicContact CD1-CZ 3.64Å; Y160-F164 HydrophobicContact CE1-CD1 4.18Å; Y160-F164 AromaticContact CE1-CE1 3.73Å; Y160-F164 HydrophobicContact CE1-CE1 3.73Å; Y160-F164 HydrophobicContact CE1-CZ 4.02Å; F164-D193 HydrophobicContact CD1-CB 3.5Å; F164-D193 HydrophobicContact CD2-CB 4.48Å; F164-D193 HydrophobicContact CE1-CB 3.68Å; F164-D193 HydrophobicContact CG-CB 3.94Å; F164-D193 HydrophobicContact CZ-CB 4.28Å; F164-I194 CarbonylContact C-O 3.52Å; F164-I194 WeakPolarHBondContact CA-O 3.48Å; F164-I195 HydrophobicContact CD1-CG1 3.81Å; F164-I195 HydrophobicContact CE1-CD1 4.32Å; F164-I195 HydrophobicContact CE1-CG1 3.75Å; F164-M206 HydrophobicContact CE1-CB 4.08Å; F164-M206 HydrophobicContact CE1-CE 3.82Å; F164-M206 HydrophobicContact CE2-CE 4.18Å; F164-M206 HydrophobicContact CZ-CE 3.28Å; F164-M206 HydrophobicContact CZ-SD 4.2Å
165C91.1Very high84.1Confident57 Ų5776.7 Ų76.739%0.38543%0.428SS..  trans-10119.1179.364.10000113.1I194 I195 K197C165-I194 PolarHBondContact N-O 3.4Å; C165-I194 VanDerWaalsContact SG-CG2 3.55Å; C165-I194 PolarHBondContact SG-O 3.14Å; C165-I195 VanDerWaalsContact SG-C 3.58Å; C165-I195 PolarHBondContact SG-O 3.49Å; C165-I195 VanDerWaalsContact SG-O 3.38Å; C165-K197 WeakPolarHBondContact O-CE 3.42Å; C165-K197 PolarHBondContact O-NZ 3.11Å
166G92.5Very high86.3Confident27 Ų2770.8 Ų70.828%0.27840%0.398SS..  trans134.3-178.3173.300000113.1I194G166-I194 WeakPolarHBondContact O-CB 3.47Å; G166-I194 WeakPolarHBondContact O-CG1 3.14Å; G166-I194 PolarHBondContact O-N 3.39Å
167R95.3Very high88.3Confident81 Ų8167.8 Ų67.831%0.30639%0.387SS..EExtended strand (participates in β ladder)trans-116.8149.5178.1-67-173.8-77.2162.2-3.9110.8I191 I192 D193 I222 E224R167-I191 HydrophobicContact CB-CG2 4.26Å; R167-I192 CarbonylContact C-O 3.49Å; R167-I192 WeakPolarHBondContact CA-O 3.31Å; R167-D193 WeakPolarHBondContact CG-OD1 3.46Å; R167-I222 PolarHBondContact O-N 3.09Å; R167-E224 IonicContact CZ-OE1 3.59Å; R167-E224 IonicContact NE-OE1 3.97Å; R167-E224 IonicContact NH2-OE1 2.61Å; R167-E224 PolarHBondContact NH2-OE1 3.46Å
168A95.4Very high89.9Confident0 Ų066.6 Ų66.60%039%0.388CS..EExtended strand (participates in β ladder)trans-133.1141173.700000111.7I191 I192 I194 V219 D220A168-I191 CarbonylContact O-C 3.58Å; A168-I191 WeakPolarHBondContact O-CA 3.34Å; A168-I192 PolarHBondContact N-O 3.02Å; A168-I192 PolarHBondContact O-N 2.82Å; A168-I194 HydrophobicContact CB-CD1 3.85Å; A168-I194 HydrophobicContact CB-CG1 4.09Å; A168-V219 HydrophobicContact CB-CB 3.82Å; A168-V219 HydrophobicContact CB-CG2 3.58Å; A168-D220 CarbonylContact C-O 3.44Å; A168-D220 VanDerWaalsContact CA-O 3.28Å; A168-D220 WeakPolarHBondContact CA-O 3.47Å
169R96.9Very high91.3Very high101 Ų10172.7 Ų72.738%0.38140%0.4SS..EExtended strand (participates in β ladder)trans-94.2126.3174.1-173.1163.258.4-137.2-3109.3H171 D190 I191 V219 D220 I222R169-H171 PolarHBondContact O-N 2.97Å; R169-D190 WeakPolarHBondContact CA-O 3.18Å; R169-I191 HydrophobicContact CB-CD1 3.95Å; R169-I191 HydrophobicContact CG-CD1 3.87Å; R169-V219 CarbonylContact O-C 3.58Å; R169-V219 VanDerWaalsContact O-CA 3.27Å; R169-V219 WeakPolarHBondContact O-CA 3.49Å; R169-D220 PolarHBondContact N-O 3.21Å; R169-D220 PolarHBondContact O-N 2.85Å; R169-I222 HydrophobicContact CB-CD1 3.54Å; R169-I222 HydrophobicContact CB-CG1 3.74Å
170V97.3Very high92Very high2 Ų272.9 Ų72.91%0.01240%0.398CS..EExtended strand (participates in β ladder)trans-73.8127.9177-178.40000109.4T172 I186 K187 K188 G189 D190 I192 V219V170-T172 WeakPolarHBondContact CG1-O 3.46Å; V170-I186 HydrophobicContact CG1-CB 4.11Å; V170-I186 HydrophobicContact CG1-CD1 3.96Å; V170-I186 HydrophobicContact CG1-CG1 4.1Å; V170-I186 HydrophobicContact CG2-CB 3.95Å; V170-I186 HydrophobicContact CG2-CD1 4.3Å; V170-I186 HydrophobicContact CG2-CG2 4.45Å; V170-K187 WeakPolarHBondContact CB-O 3.18Å; V170-K187 VanDerWaalsContact CG1-C 3.48Å; V170-K187 VanDerWaalsContact CG1-O 3.22Å; V170-K187 WeakPolarHBondContact CG1-O 3.42Å; V170-K188 CarbonylContact O-C 3.58Å; V170-K188 WeakPolarHBondContact O-CA 3.22Å; V170-G189 PolarHBondContact O-N 3.32Å; V170-D190 HydrophobicContact CB-CB 4.31Å; V170-D190 HydrophobicContact CG2-CB 3.95Å; V170-D190 WeakPolarHBondContact CG2-O 3.47Å; V170-D190 PolarHBondContact N-O 3.35Å; V170-I192 HydrophobicContact CG2-CD1 3.48Å; V170-I192 VanDerWaalsContact CG2-CD1 3.48Å; V170-I192 HydrophobicContact CG2-CG1 3.8Å; V170-V219 HydrophobicContact CB-CG1 4.44Å; V170-V219 HydrophobicContact CG2-CG1 3.91Å
171H96.8Very high92.5Very high64 Ų6475 Ų7530%0.29642%0.419SS..  trans-108.5-15.3175.365.569.2000112.8R169 K188 I217 Y218 V219 D220R169-H171 PolarHBondContact O-N 2.97Å; H171-K188 WeakPolarHBondContact O-CD 3.44Å; H171-K188 WeakPolarHBondContact O-CG 3.08Å; H171-I217 PolarHBondContact CE1-O 2.87Å; H171-I217 PolarHBondContact NE2-O 2.8Å; H171-Y218 PolarHBondContact CD2-O 3.03Å; H171-Y218 PolarHBondContact N-O 2.93Å; H171-V219 VanDerWaalsContact CD2-C 3.45Å; H171-V219 PolarHBondContact CD2-N 2.73Å; H171-V219 PolarHBondContact NE2-N 3.15Å; H171-D220 IonicContact CD2-OD1 3.91Å; H171-D220 PolarHBondContact CD2-OD1 2.99Å; H171-D220 IonicContact CD2-OD2 3.59Å; H171-D220 PolarHBondContact CD2-OD2 3.19Å; H171-D220 IonicContact CG-OD2 2.93Å; H171-D220 IonicContact NE2-OD1 3.44Å
172T97.3Very high93Very high54 Ų5474.1 Ų74.133%0.33141%0.405SS..SBendtrans-130.2129.1179.8-59.70000110.9V170 Y218V170-T172 WeakPolarHBondContact CG1-O 3.46Å; T172-Y218 HydrophobicContact CG2-CD1 3.66Å; T172-Y218 HydrophobicContact CG2-CE1 4.07Å; T172-Y218 HydrophobicContact CG2-CG 4.5Å; T172-Y218 PolarHBondContact N-O 3.36Å
173D96.3Very high93.5Very high106 Ų10674 Ų7457%0.56740%0.4SS*.  trans-64.6135.7174.8-61.5-7.8000111.1K187 K188D173-K187 WeakPolarHBondContact OD1-CA 3.26Å; D173-K188 WeakPolarHBondContact OD1-CB 3.43Å; D173-K188 PolarHBondContact OD1-N 3.12Å
174F95.3Very high93.8Very high53 Ų5369 Ų6923%0.23237%0.368CS..BIsolated β-bridgetrans-139.3123.3171172.3-100.7000110.3P176 I186 Y218F174-P176 HydrophobicContact CE1-CB 3.91Å; F174-P176 HydrophobicContact CE1-CG 4.41Å; F174-P176 HydrophobicContact CZ-CB 4.14Å; F174-I186 HydrophobicContact CB-CD1 4.06Å; F174-I186 HydrophobicContact CB-CG1 3.66Å; F174-I186 HydrophobicContact CD1-CG1 4.44Å; F174-I186 PolarHBondContact N-O 3.02Å; F174-I186 PolarHBondContact O-N 2.86Å; F174-I186 VanDerWaalsContact O-O 3.04Å; F174-Y218 HydrophobicContact CB-CD2 4.04Å; F174-Y218 HydrophobicContact CB-CE2 4.09Å; F174-Y218 AromaticContact CD2-CE2 3.84Å; F174-Y218 HydrophobicContact CD2-CE2 3.84Å; F174-Y218 HydrophobicContact CE2-CE2 4.48Å; F174-Y218 HydrophobicContact CG-CD2 4.29Å; F174-Y218 AromaticContact CG-CE2 3.99Å; F174-Y218 HydrophobicContact CG-CE2 3.99Å
175T94.6Very high93.9Very high93 Ų9370.5 Ų70.557%0.57137%0.374SS*.  trans-115.3112.8173.9-61.60000108.3K185T175-K185 HydrophobicContact CG2-CD 4.25Å; T175-K185 HydrophobicContact CG2-CG 4.47Å
176P93.3Very high94.2Very high22 Ų2267.8 Ų67.814%0.14336%0.356CS..  trans-68.4166.7178.828.5-34.2000111.6F174 D180 S183 K185F174-P176 HydrophobicContact CE1-CB 3.91Å; F174-P176 HydrophobicContact CE1-CG 4.41Å; F174-P176 HydrophobicContact CZ-CB 4.14Å; P176-D180 HydrophobicContact CB-CB 4.23Å; P176-S183 VanDerWaalsContact CB-CB 3.46Å; P176-K185 HydrophobicContact CG-CB 4.35Å
177S92.1Very high94.4Very high64 Ų6472 Ų7245%0.44837%0.367SS..  trans-63.6146.6172.5-178.20000110.1Y179 D180S177-Y179 PolarHBondContact O-N 3.05Å; S177-D180 WeakPolarHBondContact O-CB 3.38Å; S177-D180 PolarHBondContact O-N 3.16Å
178P91.6Very high94.4Very high127 Ų12775.3 Ų75.383%0.82538%0.383SS*.THydrogen-bonded Turntrans-56.9-17.2175.1-26.435.4000115.3
179Y92.6Very high94.4Very high207 Ų20777.5 Ų77.581%0.81241%0.406SS*.THydrogen-bonded Turntrans-92.4-7.6177.6-57.4-77000113.6S177 T181S177-Y179 PolarHBondContact O-N 3.05Å; Y179-T181 PolarHBondContact O-N 3.43Å
180D89.8Confident94.4Very high62 Ų6274.8 Ų74.833%0.33240%0.399SS..  trans-98.285.6-177.8-172.23.5000108.8P176 S177 D182 S183P176-D180 HydrophobicContact CB-CB 4.23Å; S177-D180 WeakPolarHBondContact O-CB 3.38Å; S177-D180 PolarHBondContact O-N 3.16Å; D180-D182 PolarHBondContact O-N 3.49Å; D180-S183 VanDerWaalsContact CG-CB 3.46Å; D180-S183 PolarHBondContact OD1-N 3.4Å; D180-S183 PolarHBondContact OD1-OG 2.88Å; D180-S183 WeakPolarHBondContact OD2-CB 3.4Å; D180-S183 PolarHBondContact OD2-OG 3.25Å
181T89.4Confident94.3Very high120 Ų12078 Ų7874%0.73642%0.416SS*.SBendtrans-69.3-24.2-178.747.70000112.8Y179Y179-T181 PolarHBondContact O-N 3.43Å
182D91.4Very high94.3Very high96 Ų9675 Ų7551%0.51340%0.402SS..SBendtrans-89.5-18.4-170.7-54.5-7.6000110.5D180 G212 N213D180-D182 PolarHBondContact O-N 3.49Å; D182-G212 CarbonylContact O-C 3.6Å; D182-G212 WeakPolarHBondContact O-CA 3.23Å; D182-N213 WeakPolarHBondContact CB-ND2 3.48Å; D182-N213 PolarHBondContact O-N 2.99Å; D182-N213 PolarHBondContact O-OD1 3.49Å
183S94.6Very high94.2Very high21 Ų2174.9 Ų74.915%0.14740%0.399CS..BIsolated β-bridgetrans-84.8139.5-179.5-770000113.5P176 D180 N213P176-S183 VanDerWaalsContact CB-CB 3.46Å; D180-S183 VanDerWaalsContact CG-CB 3.46Å; D180-S183 PolarHBondContact OD1-N 3.4Å; D180-S183 PolarHBondContact OD1-OG 2.88Å; D180-S183 WeakPolarHBondContact OD2-CB 3.4Å; D180-S183 PolarHBondContact OD2-OG 3.25Å; S183-N213 WeakPolarHBondContact CA-O 3.12Å
184L94.3Very high94.2Very high7 Ų769.8 Ų69.84%0.03737%0.372CS..PPolyproline II helixtrans-83.3126.3178.2-155.967.3000110.3I186 I192 L207 K210 N213 F214L184-I186 HydrophobicContact CB-CG2 4.06Å; L184-I186 HydrophobicContact CD2-CG2 3.88Å; L184-I186 HydrophobicContact CG-CG2 3.9Å; L184-I186 PolarHBondContact O-N 3.35Å; L184-I192 HydrophobicContact CD2-CD1 4.11Å; L184-I192 HydrophobicContact CD2-CG1 4.38Å; L184-I192 HydrophobicContact CD2-CG2 3.93Å; L184-L207 HydrophobicContact CD1-CB 4.09Å; L184-L207 HydrophobicContact CD2-CB 3.55Å; L184-L207 HydrophobicContact CD2-CD2 4.49Å; L184-L207 HydrophobicContact CG-CB 3.98Å; L184-K210 HydrophobicContact CD1-CB 4.12Å; L184-K210 WeakPolarHBondContact CD1-O 3.44Å; L184-N213 PolarHBondContact N-O 2.88Å; L184-F214 HydrophobicContact CB-CB 4.47Å; L184-F214 HydrophobicContact CD2-CD1 4.14Å
185K95.1Very high94.2Very high116 Ų11668.7 Ų68.750%0.50437%0.368SS..PPolyproline II helixtrans-79.1116.2169.8-178.3177.3-178175.80109.1T175 P176 L207T175-K185 HydrophobicContact CG2-CD 4.25Å; T175-K185 HydrophobicContact CG2-CG 4.47Å; P176-K185 HydrophobicContact CG-CB 4.35Å; K185-L207 WeakPolarHBondContact O-CD2 3.21Å
186I96Very high94.1Very high0 Ų067.2 Ų67.20%036%0.361CS..BIsolated β-bridgetrans-125.4143.3-172.762.4173.4000110.1V170 F174 L184 I192 L207 F214 Y218 V219V170-I186 HydrophobicContact CG1-CB 4.11Å; V170-I186 HydrophobicContact CG1-CD1 3.96Å; V170-I186 HydrophobicContact CG1-CG1 4.1Å; V170-I186 HydrophobicContact CG2-CB 3.95Å; V170-I186 HydrophobicContact CG2-CD1 4.3Å; V170-I186 HydrophobicContact CG2-CG2 4.45Å; F174-I186 HydrophobicContact CB-CD1 4.06Å; F174-I186 HydrophobicContact CB-CG1 3.66Å; F174-I186 HydrophobicContact CD1-CG1 4.44Å; F174-I186 PolarHBondContact N-O 3.02Å; F174-I186 PolarHBondContact O-N 2.86Å; F174-I186 VanDerWaalsContact O-O 3.04Å; L184-I186 HydrophobicContact CB-CG2 4.06Å; L184-I186 HydrophobicContact CD2-CG2 3.88Å; L184-I186 HydrophobicContact CG-CG2 3.9Å; L184-I186 PolarHBondContact O-N 3.35Å; I186-I192 HydrophobicContact CB-CD1 4.34Å; I186-I192 HydrophobicContact CG2-CD1 3.56Å; I186-I192 HydrophobicContact CG2-CG1 4.41Å; I186-L207 HydrophobicContact CB-CD2 4.36Å; I186-L207 HydrophobicContact CG2-CD2 3.84Å; I186-F214 HydrophobicContact CD1-CB 4.19Å; I186-Y218 HydrophobicContact CD1-CD2 4.27Å; I186-Y218 HydrophobicContact CD1-CG 4.48Å; I186-V219 HydrophobicContact CD1-CG1 4.42Å
187K96.8Very high94.2Very high116 Ų11670.2 Ų70.250%0.50437%0.372SS..  trans-122.9149.8173.8-63.4-178.7-179.7178.20110.1V170 D173 G189 D190V170-K187 WeakPolarHBondContact CB-O 3.18Å; V170-K187 VanDerWaalsContact CG1-C 3.48Å; V170-K187 VanDerWaalsContact CG1-O 3.22Å; V170-K187 WeakPolarHBondContact CG1-O 3.42Å; D173-K187 WeakPolarHBondContact OD1-CA 3.26Å; K187-G189 PolarHBondContact O-N 3.42Å; K187-D190 WeakPolarHBondContact CB-OD2 3.49Å; K187-D190 PolarHBondContact N-OD2 2.79Å; K187-D190 WeakPolarHBondContact O-CB 3.39Å; K187-D190 PolarHBondContact O-N 3.31Å
188K96.8Very high94.2Very high150 Ų15070.1 Ų70.165%0.65237%0.368SS*.THydrogen-bonded Turntrans-53.5123.6174.3179.8177.3-176.1178.10109.6V170 H171 D173V170-K188 CarbonylContact O-C 3.58Å; V170-K188 WeakPolarHBondContact O-CA 3.22Å; H171-K188 WeakPolarHBondContact O-CD 3.44Å; H171-K188 WeakPolarHBondContact O-CG 3.08Å; D173-K188 WeakPolarHBondContact OD1-CB 3.43Å; D173-K188 PolarHBondContact OD1-N 3.12Å
189G94.8Very high94Very high47 Ų4770.1 Ų70.149%0.48537%0.368SS..THydrogen-bonded Turntrans99.9-14.5-175.700000114.3V170 K187V170-G189 PolarHBondContact O-N 3.32Å; K187-G189 PolarHBondContact O-N 3.42Å
190D96.1Very high93.7Very high43 Ų4367 Ų6723%0.2336%0.363CS..  trans-66.2147.7174.4-66.4-12.5000110.4R169 V170 K187 L207R169-D190 WeakPolarHBondContact CA-O 3.18Å; V170-D190 HydrophobicContact CB-CB 4.31Å; V170-D190 HydrophobicContact CG2-CB 3.95Å; V170-D190 WeakPolarHBondContact CG2-O 3.47Å; V170-D190 PolarHBondContact N-O 3.35Å; K187-D190 WeakPolarHBondContact CB-OD2 3.49Å; K187-D190 PolarHBondContact N-OD2 2.79Å; K187-D190 WeakPolarHBondContact O-CB 3.39Å; K187-D190 PolarHBondContact O-N 3.31Å; D190-L207 HydrophobicContact CB-CD1 3.91Å; D190-L207 HydrophobicContact CB-CD2 3.98Å
191I96.3Very high93.8Very high71 Ų7165.4 Ų65.436%0.36436%0.36SS..EExtended strand (participates in β ladder)trans-111.3121.7175.7-50.8-64.4000107.5R167 A168 R169 L207 I222R167-I191 HydrophobicContact CB-CG2 4.26Å; A168-I191 CarbonylContact O-C 3.58Å; A168-I191 WeakPolarHBondContact O-CA 3.34Å; R169-I191 HydrophobicContact CB-CD1 3.95Å; R169-I191 HydrophobicContact CG-CD1 3.87Å; I191-L207 WeakPolarHBondContact O-CD1 3.3Å; I191-I222 HydrophobicContact CD1-CD1 3.56Å; I191-I222 HydrophobicContact CG2-CD1 4.23Å
192I96.1Very high94.1Very high0 Ų064.5 Ų64.50%035%0.349CS..EExtended strand (participates in β ladder)trans-107.3131.4-178.1-53.6173.3000108.6R167 A168 V170 L184 I186 M206 L207 F214 V219R167-I192 CarbonylContact C-O 3.49Å; R167-I192 WeakPolarHBondContact CA-O 3.31Å; A168-I192 PolarHBondContact N-O 3.02Å; A168-I192 PolarHBondContact O-N 2.82Å; V170-I192 HydrophobicContact CG2-CD1 3.48Å; V170-I192 VanDerWaalsContact CG2-CD1 3.48Å; V170-I192 HydrophobicContact CG2-CG1 3.8Å; L184-I192 HydrophobicContact CD2-CD1 4.11Å; L184-I192 HydrophobicContact CD2-CG1 4.38Å; L184-I192 HydrophobicContact CD2-CG2 3.93Å; I186-I192 HydrophobicContact CB-CD1 4.34Å; I186-I192 HydrophobicContact CG2-CD1 3.56Å; I186-I192 HydrophobicContact CG2-CG1 4.41Å; I192-M206 WeakPolarHBondContact CG2-O 3.45Å; I192-L207 HydrophobicContact CG1-CB 4.28Å; I192-L207 HydrophobicContact CG1-CD1 4.39Å; I192-L207 HydrophobicContact CG1-CD2 4.36Å; I192-F214 HydrophobicContact CD1-CD1 4.13Å; I192-F214 HydrophobicContact CD1-CD2 4.27Å; I192-F214 HydrophobicContact CD1-CE1 4.2Å; I192-F214 HydrophobicContact CD1-CE2 4.37Å; I192-F214 HydrophobicContact CD1-CG 4.16Å; I192-F214 HydrophobicContact CD1-CZ 4.31Å; I192-F214 HydrophobicContact CG2-CD1 4.3Å; I192-F214 HydrophobicContact CG2-CE1 3.7Å; I192-F214 HydrophobicContact CG2-CZ 4.16Å; I192-V219 HydrophobicContact CD1-CG1 4.06Å
193D95.4Very high94.3Very high51 Ų5161.4 Ų61.427%0.27333%0.33SS..EExtended strand (participates in β ladder)trans-81.9114.6169.2-59-45.6000108.7F164 R167 G205 M206F164-D193 HydrophobicContact CD1-CB 3.5Å; F164-D193 HydrophobicContact CD2-CB 4.48Å; F164-D193 HydrophobicContact CE1-CB 3.68Å; F164-D193 HydrophobicContact CG-CB 3.94Å; F164-D193 HydrophobicContact CZ-CB 4.28Å; R167-D193 WeakPolarHBondContact CG-OD1 3.46Å; D193-G205 CarbonylContact O-C 3.35Å; D193-G205 WeakPolarHBondContact O-CA 3.26Å; D193-M206 PolarHBondContact N-O 3.14Å; D193-M206 PolarHBondContact O-N 3.49Å
194I95.4Very high94.4Very high0 Ų062.4 Ų62.40%034%0.336CS..EExtended strand (participates in β ladder)trans-80.9124.9-173.3-47.9170.2000108.7F164 C165 G166 A168 K197 W203 V221F164-I194 CarbonylContact C-O 3.52Å; F164-I194 WeakPolarHBondContact CA-O 3.48Å; C165-I194 PolarHBondContact N-O 3.4Å; C165-I194 VanDerWaalsContact SG-CG2 3.55Å; C165-I194 PolarHBondContact SG-O 3.14Å; G166-I194 WeakPolarHBondContact O-CB 3.47Å; G166-I194 WeakPolarHBondContact O-CG1 3.14Å; G166-I194 PolarHBondContact O-N 3.39Å; A168-I194 HydrophobicContact CB-CD1 3.85Å; A168-I194 HydrophobicContact CB-CG1 4.09Å; I194-K197 HydrophobicContact CG2-CG 3.74Å; I194-W203 HydrophobicContact CD1-CE3 4.25Å; I194-W203 HydrophobicContact CD1-CZ3 4.06Å; I194-W203 HydrophobicContact CG2-CE3 4.37Å; I194-V221 HydrophobicContact CD1-CG2 4.49Å
195I95.2Very high94.5Very high29 Ų2962.1 Ų62.115%0.14933%0.334CS..EExtended strand (participates in β ladder)trans-91-47.4176.8-66.2170.8000110Y160 F164 C165 T204 M206 V211Y160-I195 HydrophobicContact CD1-CD1 3.55Å; Y160-I195 HydrophobicContact CD1-CG1 3.83Å; Y160-I195 HydrophobicContact CD2-CD1 4.02Å; Y160-I195 HydrophobicContact CE1-CB 4.36Å; Y160-I195 HydrophobicContact CE1-CD1 3.72Å; Y160-I195 HydrophobicContact CE1-CG1 3.53Å; Y160-I195 HydrophobicContact CE1-CG2 4.07Å; Y160-I195 HydrophobicContact CE2-CD1 4.18Å; Y160-I195 HydrophobicContact CE2-CG2 3.98Å; Y160-I195 HydrophobicContact CG-CD1 3.7Å; Y160-I195 HydrophobicContact CG-CG1 4.45Å; Y160-I195 WeakPolarHBondContact OH-CG2 3.28Å; F164-I195 HydrophobicContact CD1-CG1 3.81Å; F164-I195 HydrophobicContact CE1-CD1 4.32Å; F164-I195 HydrophobicContact CE1-CG1 3.75Å; C165-I195 VanDerWaalsContact SG-C 3.58Å; C165-I195 PolarHBondContact SG-O 3.49Å; C165-I195 VanDerWaalsContact SG-O 3.38Å; I195-T204 PolarHBondContact N-O 3.12Å; I195-M206 HydrophobicContact CD1-CB 4.35Å; I195-V211 HydrophobicContact CD1-CB 4.45Å; I195-V211 HydrophobicContact CD1-CG1 3.78Å; I195-V211 HydrophobicContact CD1-CG2 3.86Å
196C94.2Very high94.5Very high62 Ų6257.7 Ų57.742%0.41932%0.316SS..EExtended strand (participates in β ladder)trans-142.8134.3-177.8-175.10000111.8T204C196-T204 PolarHBondContact N-O 3.36Å; C196-T204 VanDerWaalsContact N-O 3.09Å; C196-T204 PolarHBondContact O-N 3.32Å; C196-T204 VanDerWaalsContact O-N 3.1Å
197K94.3Very high94.4Very high86 Ų8658.4 Ų58.437%0.37432%0.319SS..  trans-106106.2175.5-65.7174.7-170.3164.90109.7C165 I194 W203C165-K197 WeakPolarHBondContact O-CE 3.42Å; C165-K197 PolarHBondContact O-NZ 3.11Å; I194-K197 HydrophobicContact CG2-CG 3.74Å; K197-W203 HydrophobicContact CB-CD2 4.47Å; K197-W203 HydrophobicContact CB-CZ2 4.4Å; K197-W203 HydrophobicContact CD-CH2 4.48Å; K197-W203 HydrophobicContact CD-CZ2 4.49Å; K197-W203 HydrophobicContact CG-CD2 4.13Å; K197-W203 HydrophobicContact CG-CE3 4.36Å; K197-W203 HydrophobicContact CG-CH2 4.46Å; K197-W203 HydrophobicContact CG-CZ2 4.21Å
198T93.4Very high94.1Very high61 Ų6158.8 Ų58.837%0.37433%0.327SS..  trans-75.3138.9165.8-450000108.9M200 M202 W203T198-M200 VanDerWaalsContact CG2-O 3.24Å; T198-M200 WeakPolarHBondContact CG2-O 3.44Å; T198-M200 PolarHBondContact O-N 3.39Å; T198-M202 VanDerWaalsContact CB-O 3.27Å; T198-M202 WeakPolarHBondContact CB-O 3.31Å; T198-M202 PolarHBondContact OG1-O 3.13Å; T198-W203 VanDerWaalsContact N-CD1 3.33Å; T198-W203 PolarHBondContact O-NE1 3.45Å
199P87.4Confident93.8Very high127 Ų12757.3 Ų57.383%0.82533%0.326SS*.SBendtrans-61.1-18.3179.123.4-35.5000113.8
200M86.3Confident93.6Very high143 Ų14362.2 Ų62.270%0.70433%0.334SS*.SBendtrans-151.2143.8175.7-160.368.865.400110.3T198 F216T198-M200 VanDerWaalsContact CG2-O 3.24Å; T198-M200 WeakPolarHBondContact CG2-O 3.44Å; T198-M200 PolarHBondContact O-N 3.39Å; M200-F216 HydrophobicContact SD-CE1 4.39Å; M200-F216 HydrophobicContact SD-CZ 4.4Å
201G91.8Very high93.5Very high27 Ų2763.5 Ų63.528%0.27834%0.343SS..SBendtrans98-112.8170.100000114.4K215 F216G201-K215 WeakPolarHBondContact O-CG 3.47Å; G201-F216 VanDerWaalsContact O-CD1 3.24Å; G201-F216 WeakPolarHBondContact O-CD1 3.2Å
202M94.3Very high93.4Very high102 Ų10260.2 Ų60.250%0.50233%0.327SS..EExtended strand (participates in β ladder)trans-104.2139.8-174.4-57.1-59.5-16500110.7T198 F214 K215T198-M202 VanDerWaalsContact CB-O 3.27Å; T198-M202 WeakPolarHBondContact CB-O 3.31Å; T198-M202 PolarHBondContact OG1-O 3.13Å; M202-F214 CarbonylContact C-O 3.56Å; M202-F214 WeakPolarHBondContact CA-O 3.4Å; M202-K215 HydrophobicContact SD-CB 3.68Å; M202-K215 HydrophobicContact SD-CG 3.91Å
203W96.7Very high93.4Very high30 Ų3062.8 Ų62.811%0.11434%0.341CS..EExtended strand (participates in β ladder)trans-105157.1168.7-69.8-1.5000109.5I194 K197 T198 N213 F214 F216 V219 V221I194-W203 HydrophobicContact CD1-CE3 4.25Å; I194-W203 HydrophobicContact CD1-CZ3 4.06Å; I194-W203 HydrophobicContact CG2-CE3 4.37Å; K197-W203 HydrophobicContact CB-CD2 4.47Å; K197-W203 HydrophobicContact CB-CZ2 4.4Å; K197-W203 HydrophobicContact CD-CH2 4.48Å; K197-W203 HydrophobicContact CD-CZ2 4.49Å; K197-W203 HydrophobicContact CG-CD2 4.13Å; K197-W203 HydrophobicContact CG-CE3 4.36Å; K197-W203 HydrophobicContact CG-CH2 4.46Å; K197-W203 HydrophobicContact CG-CZ2 4.21Å; T198-W203 VanDerWaalsContact N-CD1 3.33Å; T198-W203 PolarHBondContact O-NE1 3.45Å; W203-N213 CarbonylContact O-C 3.59Å; W203-N213 WeakPolarHBondContact O-CA 3.31Å; W203-F214 HydrophobicContact CB-CE1 4.1Å; W203-F214 HydrophobicContact CB-CE2 3.91Å; W203-F214 HydrophobicContact CB-CZ 3.71Å; W203-F214 AromaticContact CE3-CE2 3.91Å; W203-F214 HydrophobicContact CE3-CE2 3.91Å; W203-F214 HydrophobicContact CE3-CZ 4.03Å; W203-F214 PolarHBondContact N-O 3.39Å; W203-F214 PolarHBondContact O-N 3.28Å; W203-F216 HydrophobicContact CD2-CB 3.53Å; W203-F216 VanDerWaalsContact CE2-CB 3.4Å; W203-F216 HydrophobicContact CE3-CB 3.87Å; W203-F216 HydrophobicContact CG-CB 4.04Å; W203-F216 HydrophobicContact CH2-CB 3.97Å; W203-F216 HydrophobicContact CZ2-CB 3.66Å; W203-F216 HydrophobicContact CZ2-CG 4.25Å; W203-F216 HydrophobicContact CZ3-CB 4.07Å; W203-V219 HydrophobicContact CE3-CG2 4.33Å; W203-V219 HydrophobicContact CZ3-CG2 4.14Å; W203-V221 HydrophobicContact CH2-CG2 3.56Å; W203-V221 HydrophobicContact CZ3-CG2 3.62Å
204T96Very high93.5Very high43 Ų4360.4 Ų60.426%0.26433%0.328SS..EExtended strand (participates in β ladder)trans-109.8133.9175.2-50.20000108I195 C196 V211 G212I195-T204 PolarHBondContact N-O 3.12Å; C196-T204 PolarHBondContact N-O 3.36Å; C196-T204 VanDerWaalsContact N-O 3.09Å; C196-T204 PolarHBondContact O-N 3.32Å; C196-T204 VanDerWaalsContact O-N 3.1Å; T204-V211 HydrophobicContact CG2-CG1 3.99Å; T204-G212 WeakPolarHBondContact CA-O 3.48Å
205G95.4Very high93.5Very high0 Ų064 Ų640%034%0.344CS..EExtended strand (participates in β ladder)trans-158.5175.1177.500000112.6D193 V211 G212D193-G205 CarbonylContact O-C 3.35Å; D193-G205 WeakPolarHBondContact O-CA 3.26Å; G205-V211 WeakPolarHBondContact O-CA 3.33Å; G205-G212 PolarHBondContact N-O 3.32Å; G205-G212 PolarHBondContact O-N 3.45Å
206M95.1Very high93.5Very high24 Ų2465.8 Ų65.812%0.11835%0.351CS..EExtended strand (participates in β ladder)trans-113.2130.4-177.8-171.9174.36800110.1F164 I192 D193 I195 K210 V211F164-M206 HydrophobicContact CE1-CB 4.08Å; F164-M206 HydrophobicContact CE1-CE 3.82Å; F164-M206 HydrophobicContact CE2-CE 4.18Å; F164-M206 HydrophobicContact CZ-CE 3.28Å; F164-M206 HydrophobicContact CZ-SD 4.2Å; I192-M206 WeakPolarHBondContact CG2-O 3.45Å; D193-M206 PolarHBondContact N-O 3.14Å; D193-M206 PolarHBondContact O-N 3.49Å; I195-M206 HydrophobicContact CD1-CB 4.35Å; M206-K210 CarbonylContact C-O 3.54Å; M206-K210 VanDerWaalsContact CA-O 3.29Å; M206-K210 WeakPolarHBondContact CA-O 2.81Å; M206-V211 HydrophobicContact CB-CG2 4.28Å; M206-V211 HydrophobicContact CG-CG2 4.24Å
207L94.1Very high93.5Very high14 Ų1466.2 Ų66.27%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-141.8132.9172.4178.267.8000108.8L184 K185 I186 D190 I191 I192 N209 K210L184-L207 HydrophobicContact CD1-CB 4.09Å; L184-L207 HydrophobicContact CD2-CB 3.55Å; L184-L207 HydrophobicContact CD2-CD2 4.49Å; L184-L207 HydrophobicContact CG-CB 3.98Å; K185-L207 WeakPolarHBondContact O-CD2 3.21Å; I186-L207 HydrophobicContact CB-CD2 4.36Å; I186-L207 HydrophobicContact CG2-CD2 3.84Å; D190-L207 HydrophobicContact CB-CD1 3.91Å; D190-L207 HydrophobicContact CB-CD2 3.98Å; I191-L207 WeakPolarHBondContact O-CD1 3.3Å; I192-L207 HydrophobicContact CG1-CB 4.28Å; I192-L207 HydrophobicContact CG1-CD1 4.39Å; I192-L207 HydrophobicContact CG1-CD2 4.36Å; L207-N209 VanDerWaalsContact C-N 3.25Å; L207-N209 PolarHBondContact O-N 3.48Å; L207-K210 PolarHBondContact N-O 3.03Å; L207-K210 WeakPolarHBondContact O-CB 3.42Å; L207-K210 PolarHBondContact O-N 2.91Å
208N90.9Very high93.6Very high124 Ų12464.8 Ų64.866%0.66334%0.34SS*.THydrogen-bonded Turntrans51.943.9-178.7-57.5-42.2000112.6K210N208-K210 PolarHBondContact O-N 3.49Å; N208-K210 VanDerWaalsContact O-N 3.08Å
209N90.2Very high93.7Very high119 Ų11962.3 Ų62.364%0.63633%0.325SS*.THydrogen-bonded Turntrans60.612.8-176.4-6177000115L207L207-N209 VanDerWaalsContact C-N 3.25Å; L207-N209 PolarHBondContact O-N 3.48Å
210K91.7Very high94.1Very high151 Ų15160.1 Ų60.166%0.65731%0.307SS*.EExtended strand (participates in β ladder)trans-106.1127.4173.8-63.2-168.4176.2-162.30109.8L184 M206 L207 N208L184-K210 HydrophobicContact CD1-CB 4.12Å; L184-K210 WeakPolarHBondContact CD1-O 3.44Å; M206-K210 CarbonylContact C-O 3.54Å; M206-K210 VanDerWaalsContact CA-O 3.29Å; M206-K210 WeakPolarHBondContact CA-O 2.81Å; L207-K210 PolarHBondContact N-O 3.03Å; L207-K210 WeakPolarHBondContact O-CB 3.42Å; L207-K210 PolarHBondContact O-N 2.91Å; N208-K210 PolarHBondContact O-N 3.49Å; N208-K210 VanDerWaalsContact O-N 3.08Å
211V93.9Very high94.5Very high69 Ų6957 Ų5742%0.41830%0.295SS..EExtended strand (participates in β ladder)trans-87.5135.6169.5176.60000108.9Y160 I195 T204 G205 M206Y160-V211 VanDerWaalsContact CB-CG2 3.49Å; Y160-V211 HydrophobicContact CG-CG2 4.25Å; I195-V211 HydrophobicContact CD1-CB 4.45Å; I195-V211 HydrophobicContact CD1-CG1 3.78Å; I195-V211 HydrophobicContact CD1-CG2 3.86Å; T204-V211 HydrophobicContact CG2-CG1 3.99Å; G205-V211 WeakPolarHBondContact O-CA 3.33Å; M206-V211 HydrophobicContact CB-CG2 4.28Å; M206-V211 HydrophobicContact CG-CG2 4.24Å
212G94.6Very high94.5Very high3 Ų356.9 Ų56.93%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-171.8-176.1174.900000113.9D182 T204 G205D182-G212 CarbonylContact O-C 3.6Å; D182-G212 WeakPolarHBondContact O-CA 3.23Å; T204-G212 WeakPolarHBondContact CA-O 3.48Å; G205-G212 PolarHBondContact N-O 3.32Å; G205-G212 PolarHBondContact O-N 3.45Å
213N95.9Very high93.7Very high53 Ų5355.2 Ų55.228%0.28329%0.287SS..EExtended strand (participates in β ladder)trans-96.9136.7-170.8-45.2-16.1000108.6D182 S183 L184 W203D182-N213 WeakPolarHBondContact CB-ND2 3.48Å; D182-N213 PolarHBondContact O-N 2.99Å; D182-N213 PolarHBondContact O-OD1 3.49Å; S183-N213 WeakPolarHBondContact CA-O 3.12Å; L184-N213 PolarHBondContact N-O 2.88Å; W203-N213 CarbonylContact O-C 3.59Å; W203-N213 WeakPolarHBondContact O-CA 3.31Å
214F96Very high92Very high2 Ų260.6 Ų60.61%0.00931%0.313CS..EExtended strand (participates in β ladder)trans-144.3153.3170.365.7-86.3000110.3L184 I186 I192 M202 W203 V219L184-F214 HydrophobicContact CB-CB 4.47Å; L184-F214 HydrophobicContact CD2-CD1 4.14Å; I186-F214 HydrophobicContact CD1-CB 4.19Å; I192-F214 HydrophobicContact CD1-CD1 4.13Å; I192-F214 HydrophobicContact CD1-CD2 4.27Å; I192-F214 HydrophobicContact CD1-CE1 4.2Å; I192-F214 HydrophobicContact CD1-CE2 4.37Å; I192-F214 HydrophobicContact CD1-CG 4.16Å; I192-F214 HydrophobicContact CD1-CZ 4.31Å; I192-F214 HydrophobicContact CG2-CD1 4.3Å; I192-F214 HydrophobicContact CG2-CE1 3.7Å; I192-F214 HydrophobicContact CG2-CZ 4.16Å; M202-F214 CarbonylContact C-O 3.56Å; M202-F214 WeakPolarHBondContact CA-O 3.4Å; W203-F214 HydrophobicContact CB-CE1 4.1Å; W203-F214 HydrophobicContact CB-CE2 3.91Å; W203-F214 HydrophobicContact CB-CZ 3.71Å; W203-F214 AromaticContact CE3-CE2 3.91Å; W203-F214 HydrophobicContact CE3-CE2 3.91Å; W203-F214 HydrophobicContact CE3-CZ 4.03Å; W203-F214 PolarHBondContact N-O 3.39Å; W203-F214 PolarHBondContact O-N 3.28Å; F214-V219 HydrophobicContact CD2-CG1 3.79Å; F214-V219 HydrophobicContact CD2-CG2 4.3Å; F214-V219 HydrophobicContact CE2-CB 4.37Å; F214-V219 HydrophobicContact CE2-CG1 3.78Å; F214-V219 HydrophobicContact CE2-CG2 3.61Å
215K95.8Very high90Very high75 Ų7564.2 Ų64.233%0.32633%0.327SS..EExtended strand (participates in β ladder)trans-81.1130.5178.6-156.9175.4164.9-177.50109.6G201 M202 I217 Y218G201-K215 WeakPolarHBondContact O-CG 3.47Å; M202-K215 HydrophobicContact SD-CB 3.68Å; M202-K215 HydrophobicContact SD-CG 3.91Å; K215-I217 HydrophobicContact CB-CG1 4.06Å; K215-I217 HydrophobicContact CD-CD1 3.56Å; K215-I217 HydrophobicContact CD-CG1 3.56Å; K215-I217 HydrophobicContact CD-CG2 4.49Å; K215-I217 VanDerWaalsContact CE-CD1 3.41Å; K215-I217 HydrophobicContact CG-CD1 4.31Å; K215-I217 HydrophobicContact CG-CG1 3.73Å; K215-I217 HydrophobicContact CG-CG2 4.37Å; K215-I217 PolarHBondContact O-N 2.97Å; K215-Y218 HydrophobicContact CB-CD2 3.74Å; K215-Y218 HydrophobicContact CB-CE2 3.66Å; K215-Y218 PolarHBondContact O-N 2.86Å
216F94.6Very high87.8Confident67 Ų6770.4 Ų70.429%0.29436%0.356SS..G310 helixtrans-59.4-22.3-178.677.4-93.5000113.1M200 G201 W203 Y218 V219M200-F216 HydrophobicContact SD-CE1 4.39Å; M200-F216 HydrophobicContact SD-CZ 4.4Å; G201-F216 VanDerWaalsContact O-CD1 3.24Å; G201-F216 WeakPolarHBondContact O-CD1 3.2Å; W203-F216 HydrophobicContact CD2-CB 3.53Å; W203-F216 VanDerWaalsContact CE2-CB 3.4Å; W203-F216 HydrophobicContact CE3-CB 3.87Å; W203-F216 HydrophobicContact CG-CB 4.04Å; W203-F216 HydrophobicContact CH2-CB 3.97Å; W203-F216 HydrophobicContact CZ2-CB 3.66Å; W203-F216 HydrophobicContact CZ2-CG 4.25Å; W203-F216 HydrophobicContact CZ3-CB 4.07Å; F216-Y218 PolarHBondContact O-N 3.41Å; F216-Y218 VanDerWaalsContact O-N 3.1Å; F216-V219 PolarHBondContact O-N 2.98Å; F216-V219 VanDerWaalsContact O-O 3.06Å
217I95.9Very high85.6Confident70 Ų7073.4 Ų73.436%0.35939%0.385SS..G310 helixtrans-67.4-6.4177.772.7165.2000114.4H171 K215H171-I217 PolarHBondContact CE1-O 2.87Å; H171-I217 PolarHBondContact NE2-O 2.8Å; K215-I217 HydrophobicContact CB-CG1 4.06Å; K215-I217 HydrophobicContact CD-CD1 3.56Å; K215-I217 HydrophobicContact CD-CG1 3.56Å; K215-I217 HydrophobicContact CD-CG2 4.49Å; K215-I217 VanDerWaalsContact CE-CD1 3.41Å; K215-I217 HydrophobicContact CG-CD1 4.31Å; K215-I217 HydrophobicContact CG-CG1 3.73Å; K215-I217 HydrophobicContact CG-CG2 4.37Å; K215-I217 PolarHBondContact O-N 2.97Å
218Y96.2Very high83.1Confident56 Ų5677 Ų7722%0.2242%0.416CS..G310 helixtrans-101.8-3.8-179.9-59.3-41.5000112.8H171 T172 F174 I186 K215 F216H171-Y218 PolarHBondContact CD2-O 3.03Å; H171-Y218 PolarHBondContact N-O 2.93Å; T172-Y218 HydrophobicContact CG2-CD1 3.66Å; T172-Y218 HydrophobicContact CG2-CE1 4.07Å; T172-Y218 HydrophobicContact CG2-CG 4.5Å; T172-Y218 PolarHBondContact N-O 3.36Å; F174-Y218 HydrophobicContact CB-CD2 4.04Å; F174-Y218 HydrophobicContact CB-CE2 4.09Å; F174-Y218 AromaticContact CD2-CE2 3.84Å; F174-Y218 HydrophobicContact CD2-CE2 3.84Å; F174-Y218 HydrophobicContact CE2-CE2 4.48Å; F174-Y218 HydrophobicContact CG-CD2 4.29Å; F174-Y218 AromaticContact CG-CE2 3.99Å; F174-Y218 HydrophobicContact CG-CE2 3.99Å; I186-Y218 HydrophobicContact CD1-CD2 4.27Å; I186-Y218 HydrophobicContact CD1-CG 4.48Å; K215-Y218 HydrophobicContact CB-CD2 3.74Å; K215-Y218 HydrophobicContact CB-CE2 3.66Å; K215-Y218 PolarHBondContact O-N 2.86Å; F216-Y218 PolarHBondContact O-N 3.41Å; F216-Y218 VanDerWaalsContact O-N 3.1Å
219V95.8Very high81.3Confident9 Ų977 Ų776%0.05542%0.423CS..EExtended strand (participates in β ladder)trans-134.8149-172.7-46.40000111.7A168 R169 V170 H171 I186 I192 W203 F214 F216A168-V219 HydrophobicContact CB-CB 3.82Å; A168-V219 HydrophobicContact CB-CG2 3.58Å; R169-V219 CarbonylContact O-C 3.58Å; R169-V219 VanDerWaalsContact O-CA 3.27Å; R169-V219 WeakPolarHBondContact O-CA 3.49Å; V170-V219 HydrophobicContact CB-CG1 4.44Å; V170-V219 HydrophobicContact CG2-CG1 3.91Å; H171-V219 VanDerWaalsContact CD2-C 3.45Å; H171-V219 PolarHBondContact CD2-N 2.73Å; H171-V219 PolarHBondContact NE2-N 3.15Å; I186-V219 HydrophobicContact CD1-CG1 4.42Å; I192-V219 HydrophobicContact CD1-CG1 4.06Å; W203-V219 HydrophobicContact CE3-CG2 4.33Å; W203-V219 HydrophobicContact CZ3-CG2 4.14Å; F214-V219 HydrophobicContact CD2-CG1 3.79Å; F214-V219 HydrophobicContact CD2-CG2 4.3Å; F214-V219 HydrophobicContact CE2-CB 4.37Å; F214-V219 HydrophobicContact CE2-CG1 3.78Å; F214-V219 HydrophobicContact CE2-CG2 3.61Å; F216-V219 PolarHBondContact O-N 2.98Å; F216-V219 VanDerWaalsContact O-O 3.06Å
220D95.2Very high79.2Confident82 Ų8280.8 Ų80.844%0.43943%0.434SS..EExtended strand (participates in β ladder)trans-104.3126.9169.1-62.6-47.4000108.3A168 R169 H171 I222A168-D220 CarbonylContact C-O 3.44Å; A168-D220 VanDerWaalsContact CA-O 3.28Å; A168-D220 WeakPolarHBondContact CA-O 3.47Å; R169-D220 PolarHBondContact N-O 3.21Å; R169-D220 PolarHBondContact O-N 2.85Å; H171-D220 IonicContact CD2-OD1 3.91Å; H171-D220 PolarHBondContact CD2-OD1 2.99Å; H171-D220 IonicContact CD2-OD2 3.59Å; H171-D220 PolarHBondContact CD2-OD2 3.19Å; H171-D220 IonicContact CG-OD2 2.93Å; H171-D220 IonicContact NE2-OD1 3.44Å; D220-I222 PolarHBondContact O-N 3.24Å
221V94Very high76.6Confident77 Ų7784 Ų8447%0.46744%0.442SS..EExtended strand (participates in β ladder)trans-65.8124.7175.9-179.90000108.9I194 W203I194-V221 HydrophobicContact CD1-CG2 4.49Å; W203-V221 HydrophobicContact CH2-CG2 3.56Å; W203-V221 HydrophobicContact CZ3-CG2 3.62Å
222I92Very high74.7Confident25 Ų2588.3 Ų88.313%0.12846%0.461CS..EExtended strand (participates in β ladder)trans-93.3111.5173.7-51168.3000106.3R167 R169 I191 D220 E224 E226R167-I222 PolarHBondContact O-N 3.09Å; R169-I222 HydrophobicContact CB-CD1 3.54Å; R169-I222 HydrophobicContact CB-CG1 3.74Å; I191-I222 HydrophobicContact CD1-CD1 3.56Å; I191-I222 HydrophobicContact CG2-CD1 4.23Å; D220-I222 PolarHBondContact O-N 3.24Å; I222-E224 PolarHBondContact O-N 3.29Å; I222-E226 HydrophobicContact CG2-CB 4.38Å
223S77.9Confident72.2Confident67 Ų6797.5 Ų97.547%0.46950%0.5SS..  trans-62.8130.215844.80000107.9E225 E226S223-E225 PolarHBondContact O-N 2.76Å; S223-E226 PolarHBondContact O-N 3.27Å
224E61.1Low69.8Low143 Ų14399.5 Ų99.567%0.66852%0.524SS*.G310 helixtrans-46.8-18-173.8-172.1121.6-128.500115.4R167 I222 E226R167-E224 IonicContact CZ-OE1 3.59Å; R167-E224 IonicContact NE-OE1 3.97Å; R167-E224 IonicContact NH2-OE1 2.61Å; R167-E224 PolarHBondContact NH2-OE1 3.46Å; I222-E224 PolarHBondContact O-N 3.29Å; E224-E226 PolarHBondContact O-N 3.12Å
225E54.8Low67.2Low118 Ų118107.1 Ų107.155%0.55156%0.559SS**G310 helixtrans-66.5-20.8177.3-162.8-175.6157.800115.8S223 A227 K239S223-E225 PolarHBondContact O-N 2.76Å; E225-A227 PolarHBondContact O-N 3.49Å; E225-K239 IonicContact OE2-NZ 2.82Å; E225-K239 PolarHBondContact OE2-NZ 3.31Å
226E49.2Very low64.9Low130 Ų130114.3 Ų114.361%0.60759%0.585SS**G310 helixtrans-97.134.3-169.7-81.6-148.2156.900116.7I222 S223 E224 A228I222-E226 HydrophobicContact CG2-CB 4.38Å; S223-E226 PolarHBondContact O-N 3.27Å; E224-E226 PolarHBondContact O-N 3.12Å; E226-A228 VanDerWaalsContact C-N 3.3Å; E226-A228 PolarHBondContact O-N 3.01Å
227A48.1Very low62.7Low88 Ų88116.1 Ų116.173%0.72761%0.606SS**SBendtrans-79.34.3178.300000115.8E225E225-A227 PolarHBondContact O-N 3.49Å
228A41.5Very low60.5Low89 Ų89117.7 Ų117.774%0.73662%0.623SS**  trans-145.810817400000114E226 K230E226-A228 VanDerWaalsContact C-N 3.3Å; E226-A228 PolarHBondContact O-N 3.01Å; A228-K230 PolarHBondContact O-N 2.91Å
229P53.3Low58Low125 Ų125120 Ų12081%0.81263%0.634SS**  trans-89.486.1177.334.3-30.2000110.2
230K45.3Very low55.6Low198 Ų198127.4 Ų127.486%0.86166%0.661SS**  trans-143.8100.3164.4-75.2-164.9-176.9170.90114.4A228A228-K230 PolarHBondContact O-N 2.91Å
231R38.3Very low53.5Low219 Ų219128.4 Ų128.483%0.82666%0.663SS**  trans90.1114.8141.2-48.7-144.572.3166.71.9118.6K233R231-K233 PolarHBondContact O-N 3.48Å; R231-K233 VanDerWaalsContact O-N 3.16Å
232I52.7Low51.5Low159 Ų159129.8 Ų129.882%0.81568%0.676SS**  trans-3.5100.8140.2-51.8164.7000113.1
233K43.4Very low49.4Very low195 Ų195134.5 Ų134.585%0.84871%0.706SS**  trans-160.2137.3142-103.1169.5-173.9-175.10107.5R231 Q235R231-K233 PolarHBondContact O-N 3.48Å; R231-K233 VanDerWaalsContact O-N 3.16Å; K233-Q235 PolarHBondContact O-N 3.15Å
234A44.4Very low48.7Very low95 Ų95133.7 Ų133.779%0.78569%0.694SS**  trans-40.7115.3-167.500000114R236A234-R236 PolarHBondContact O-N 3.18Å
235Q42.1Very low49.7Very low162 Ų162130.4 Ų130.476%0.75768%0.684SS**  trans-63.788.1160.2-81.3-99.6-28.400107.7K233 S237K233-Q235 PolarHBondContact O-N 3.15Å; Q235-S237 PolarHBondContact O-N 3.36Å
236R47Very low51.3Low227 Ų227125.8 Ų125.886%0.85766%0.663SS**  trans-74.3104155.9-85-169.2158.4132.5-2.3106.5A234A234-R236 PolarHBondContact O-N 3.18Å
237S49.1Very low53.1Low105 Ų105126.3 Ų126.373%0.73467%0.665SS**SBendtrans43.692.9144.659.80000116.9Q235Q235-S237 PolarHBondContact O-N 3.36Å
238S48.2Very low55.1Low103 Ų103126.6 Ų126.672%0.7265%0.652SS**  trans-163.330.2156.7-161.50000114.4
239K45.6Very low57.4Low105 Ų105122.5 Ų122.546%0.45762%0.618SS.*  trans-119.177170-157.4150-164.2169.50108.9E225 E241E225-K239 IonicContact OE2-NZ 2.82Å; E225-K239 PolarHBondContact OE2-NZ 3.31Å; K239-E241 VanDerWaalsContact CE-CD 3.42Å; K239-E241 VanDerWaalsContact CE-OE1 3.32Å; K239-E241 WeakPolarHBondContact CE-OE1 3.33Å; K239-E241 WeakPolarHBondContact CE-OE2 3.37Å; K239-E241 IonicContact NZ-OE2 3.44Å
240R44.3Very low59.2Low163 Ų163116.6 Ų116.662%0.61558%0.579SS**  trans-111.249164.1-65.2-169.6-170.6172.74.1108.4S242R240-S242 PolarHBondContact O-N 3.21Å
241E50.2Low61.3Low104 Ų104112.5 Ų112.549%0.48656%0.563SS.*  trans-70.6117.7167.9-77.8151.4-140.100108.4K239K239-E241 VanDerWaalsContact CE-CD 3.42Å; K239-E241 VanDerWaalsContact CE-OE1 3.32Å; K239-E241 WeakPolarHBondContact CE-OE1 3.33Å; K239-E241 WeakPolarHBondContact CE-OE2 3.37Å; K239-E241 IonicContact NZ-OE2 3.44Å
242S53.9Low63.7Low105 Ų105106.1 Ų106.173%0.73454%0.543SS*.SBendtrans69.7127.7160.372.70000118.4R240R240-S242 PolarHBondContact O-N 3.21Å
243T46.4Very low65.5Low125 Ų12599.5 Ų99.577%0.76751%0.509SS*.  trans76.649.9177.887.20000117T245T243-T245 PolarHBondContact O-N 2.72Å
244K62.7Low67.6Low49 Ų4997.5 Ų97.521%0.21350%0.502CS..  trans-71.4111.3151.7-62.1177.4-163.7171.60106.5F249 L270K244-F249 HydrophobicContact CB-CB 4.44Å; K244-L270 HydrophobicContact CB-CD1 4.24Å; K244-L270 VanDerWaalsContact O-CD1 3.26Å; K244-L270 WeakPolarHBondContact O-CD1 3.37Å
245T83.8Confident69.9Low75 Ų7593 Ų9346%0.4647%0.465SS..  trans-58.3152.1164.756.80000108.7T243 Q247 E248 F249T243-T245 PolarHBondContact O-N 2.72Å; T245-Q247 PolarHBondContact O-N 3.43Å; T245-E248 PolarHBondContact N-OE2 3.36Å; T245-E248 PolarHBondContact O-N 3.17Å; T245-E248 WeakPolarHBondContact OG1-CG 3.39Å; T245-E248 PolarHBondContact OG1-N 3.35Å; T245-E248 PolarHBondContact OG1-OE2 3.19Å; T245-F249 PolarHBondContact O-N 3.27Å
246L87.7Confident72.2Confident21 Ų2189.3 Ų89.311%0.1145%0.447CS..Hα-helixtrans-51.6-35177.3177.5136.4000111.5L250 Y267 L273L246-L250 HydrophobicContact CD2-CD1 3.7Å; L246-L250 HydrophobicContact CG-CD1 4.31Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 2.84Å; L246-Y267 VanDerWaalsContact CD1-O 3.31Å; L246-Y267 WeakPolarHBondContact CD1-O 3.23Å; L246-L273 HydrophobicContact CD1-CD1 3.96Å; L246-L273 HydrophobicContact CD1-CD2 4.49Å; L246-L273 HydrophobicContact CD1-CG 4.24Å; L246-L273 HydrophobicContact CG-CD1 4.49Å
247Q87.8Confident74.3Confident140 Ų14084.9 Ų84.965%0.65444%0.436SS*.Hα-helixtrans-63.9-47.8174.4-175.4173.5-17.200113.4T245 F249 L250 E251T245-Q247 PolarHBondContact O-N 3.43Å; Q247-F249 VanDerWaalsContact C-N 3.32Å; Q247-F249 PolarHBondContact O-N 3.21Å; Q247-L250 PolarHBondContact O-N 3.21Å; Q247-E251 PolarHBondContact O-N 3.15Å
248E88.6Confident76.3Confident95 Ų9581 Ų8144%0.44441%0.406SS..Hα-helixtrans-66.8-34.1177.7-72.9163.3156.400112.1T245 E251 Q252T245-E248 PolarHBondContact N-OE2 3.36Å; T245-E248 PolarHBondContact O-N 3.17Å; T245-E248 WeakPolarHBondContact OG1-CG 3.39Å; T245-E248 PolarHBondContact OG1-N 3.35Å; T245-E248 PolarHBondContact OG1-OE2 3.19Å; E248-E251 PolarHBondContact O-N 3.46Å; E248-Q252 PolarHBondContact O-N 3.31Å
249F90.5Very high78.3Confident3 Ų377.7 Ų77.71%0.01338%0.383CS..Hα-helixtrans-62.4-49.5173.1169.2-102.6000111.3K244 T245 Q247 E251 Q252 I253 L270 L273 A298 L302K244-F249 HydrophobicContact CB-CB 4.44Å; T245-F249 PolarHBondContact O-N 3.27Å; Q247-F249 VanDerWaalsContact C-N 3.32Å; Q247-F249 PolarHBondContact O-N 3.21Å; F249-E251 PolarHBondContact O-N 3.2Å; F249-Q252 WeakPolarHBondContact O-CB 2.86Å; F249-Q252 PolarHBondContact O-N 3.26Å; F249-Q252 VanDerWaalsContact O-N 3.17Å; F249-I253 HydrophobicContact CD1-CD1 4.27Å; F249-I253 HydrophobicContact CE1-CD1 3.7Å; F249-I253 HydrophobicContact CE2-CG2 4.47Å; F249-I253 HydrophobicContact CZ-CD1 3.93Å; F249-I253 PolarHBondContact O-N 2.95Å; F249-L270 HydrophobicContact CB-CD2 3.77Å; F249-L270 HydrophobicContact CD1-CD2 4.17Å; F249-L270 HydrophobicContact CD2-CD2 4.48Å; F249-L270 HydrophobicContact CG-CD2 3.89Å; F249-L273 HydrophobicContact CD1-CD1 3.81Å; F249-L273 HydrophobicContact CE1-CD1 3.71Å; F249-A298 HydrophobicContact CE2-CB 3.79Å; F249-A298 HydrophobicContact CZ-CB 3.71Å; F249-L302 HydrophobicContact CD2-CD1 3.72Å; F249-L302 HydrophobicContact CD2-CD2 4.45Å; F249-L302 HydrophobicContact CD2-CG 4.37Å; F249-L302 HydrophobicContact CE2-CD1 3.52Å; F249-L302 HydrophobicContact CE2-CD2 4.49Å; F249-L302 HydrophobicContact CE2-CG 4.02Å; F249-L302 HydrophobicContact CG-CD1 4.48Å; F249-L302 HydrophobicContact CZ-CD1 4.15Å
250L90.9Very high80.6Confident0 Ų076.9 Ų76.90%039%0.39CS..Hα-helixtrans-62.7-33.1176.3-70.7172.3000112L246 Q247 I253 H254 L255 S259 L262 L295L246-L250 HydrophobicContact CD2-CD1 3.7Å; L246-L250 HydrophobicContact CG-CD1 4.31Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.32Å; L246-L250 PolarHBondContact O-N 2.84Å; Q247-L250 PolarHBondContact O-N 3.21Å; L250-I253 HydrophobicContact CD2-CD1 4.08Å; L250-I253 WeakPolarHBondContact O-CG1 3.49Å; L250-I253 PolarHBondContact O-N 3.3Å; L250-H254 PolarHBondContact O-N 2.98Å; L250-H254 VanDerWaalsContact O-N 3.15Å; L250-L255 HydrophobicContact CD2-CB 4.13Å; L250-L255 PolarHBondContact O-N 3.49Å; L250-S259 VanDerWaalsContact CD1-CA 3.48Å; L250-L262 HydrophobicContact CD1-CD1 3.82Å; L250-L262 HydrophobicContact CD2-CD1 3.83Å; L250-L262 HydrophobicContact CG-CD1 4.43Å; L250-L295 HydrophobicContact CD2-CD1 4.29Å
251E89.9Confident82.9Confident113 Ų11371.5 Ų71.553%0.52838%0.375SS..Hα-helixtrans-67.2-40.3173.5178166.8-151.400113Q247 E248 F249 I253 H254 Q256Q247-E251 PolarHBondContact O-N 3.15Å; E248-E251 PolarHBondContact O-N 3.46Å; F249-E251 PolarHBondContact O-N 3.2Å; E251-I253 PolarHBondContact O-N 2.88Å; E251-H254 PolarHBondContact O-N 3.01Å; E251-Q256 HydrophobicContact CB-CG 3.94Å; E251-Q256 HydrophobicContact CG-CG 4.45Å
252Q87.9Confident84.8Confident85 Ų8566.5 Ų66.540%0.39735%0.352SS..Hα-helixtrans-59.4-35.7175.7172178.8-2000112.3E248 F249E248-Q252 PolarHBondContact O-N 3.31Å; F249-Q252 WeakPolarHBondContact O-CB 2.86Å; F249-Q252 PolarHBondContact O-N 3.26Å; F249-Q252 VanDerWaalsContact O-N 3.17Å
253I90.9Very high86.6Confident20 Ų2066.2 Ų66.210%0.10334%0.342CS..THydrogen-bonded Turntrans-97.66.4-177.667.4-177.7000113.2F249 L250 E251 L255 L295 A298F249-I253 HydrophobicContact CD1-CD1 4.27Å; F249-I253 HydrophobicContact CE1-CD1 3.7Å; F249-I253 HydrophobicContact CE2-CG2 4.47Å; F249-I253 HydrophobicContact CZ-CD1 3.93Å; F249-I253 PolarHBondContact O-N 2.95Å; L250-I253 HydrophobicContact CD2-CD1 4.08Å; L250-I253 WeakPolarHBondContact O-CG1 3.49Å; L250-I253 PolarHBondContact O-N 3.3Å; E251-I253 PolarHBondContact O-N 2.88Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L255 HydrophobicContact CD1-CB 4.18Å; I253-L255 HydrophobicContact CD1-CD1 3.69Å; I253-L255 HydrophobicContact CD1-CG 4.24Å; I253-L255 HydrophobicContact CG1-CB 3.88Å; I253-L255 HydrophobicContact CG1-CD1 3.95Å; I253-L255 HydrophobicContact CG1-CG 3.96Å; I253-L255 PolarHBondContact O-N 3.42Å; I253-L295 HydrophobicContact CD1-CB 4.43Å; I253-L295 HydrophobicContact CD1-CG 4.39Å; I253-A298 HydrophobicContact CD1-CB 4.43Å; I253-A298 HydrophobicContact CG2-CB 3.44Å; I253-A298 VanDerWaalsContact CG2-CB 3.44Å
254H88.6Confident88.8Confident152 Ų15267.6 Ų67.670%0.70434%0.344SS*.THydrogen-bonded Turntrans58.635.9-178.4-60.7-83.1000114.5L250 E251L250-H254 PolarHBondContact O-N 2.98Å; L250-H254 VanDerWaalsContact O-N 3.15Å; E251-H254 PolarHBondContact O-N 3.01Å
255L91.1Very high90.2Very high2 Ų269.6 Ų69.61%0.0136%0.357CS..  trans-118.134.4179.6-66.5178.2000112.2L250 I253 E257 Y258 D291 R294 L295L250-L255 HydrophobicContact CD2-CB 4.13Å; L250-L255 PolarHBondContact O-N 3.49Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L255 HydrophobicContact CD1-CB 4.18Å; I253-L255 HydrophobicContact CD1-CD1 3.69Å; I253-L255 HydrophobicContact CD1-CG 4.24Å; I253-L255 HydrophobicContact CG1-CB 3.88Å; I253-L255 HydrophobicContact CG1-CD1 3.95Å; I253-L255 HydrophobicContact CG1-CG 3.96Å; I253-L255 PolarHBondContact O-N 3.42Å; L255-E257 PolarHBondContact O-N 2.77Å; L255-Y258 HydrophobicContact CB-CD2 4.01Å; L255-Y258 HydrophobicContact CD2-CD2 3.79Å; L255-Y258 HydrophobicContact CD2-CE2 3.63Å; L255-Y258 HydrophobicContact CG-CD2 4.42Å; L255-Y258 PolarHBondContact O-N 3.36Å; L255-D291 HydrophobicContact CD1-CB 4.44Å; L255-D291 WeakPolarHBondContact CD1-O 3.27Å; L255-D291 HydrophobicContact CD2-CB 3.6Å; L255-D291 VanDerWaalsContact CD2-CG 3.5Å; L255-D291 WeakPolarHBondContact CD2-OD1 3.43Å; L255-R294 HydrophobicContact CD1-CB 4.17Å; L255-L295 HydrophobicContact CD1-CB 3.86Å; L255-L295 HydrophobicContact CD1-CD1 4.41Å
256Q90.7Very high90.4Very high83 Ų8368.4 Ų68.439%0.38836%0.36SS..G310 helixtrans-63.2-26-176.5-52.193.3-13.800112.8E251 Y258 S259E251-Q256 HydrophobicContact CB-CG 3.94Å; E251-Q256 HydrophobicContact CG-CG 4.45Å; Q256-Y258 PolarHBondContact O-N 3.25Å; Q256-S259 VanDerWaalsContact O-CB 3.23Å; Q256-S259 WeakPolarHBondContact O-CB 3.29Å; Q256-S259 PolarHBondContact O-N 3.05Å; Q256-S259 PolarHBondContact O-OG 3.03Å
257E90.8Very high90.6Very high134 Ų13469.5 Ų69.563%0.62636%0.362SS*.G310 helixtrans-63.6-27.6179.563.7-173.9-167.800113.2L255 S259L255-E257 PolarHBondContact O-N 2.77Å; E257-S259 VanDerWaalsContact C-N 3.35Å
258Y91.5Very high90.6Very high24 Ų2469.5 Ų69.59%0.09436%0.363CS..G310 helixtrans-87-4.6179.3-58.1-70.8000113.5L255 Q256 S260 T261 L262 I286 N288 D291L255-Y258 HydrophobicContact CB-CD2 4.01Å; L255-Y258 HydrophobicContact CD2-CD2 3.79Å; L255-Y258 HydrophobicContact CD2-CE2 3.63Å; L255-Y258 HydrophobicContact CG-CD2 4.42Å; L255-Y258 PolarHBondContact O-N 3.36Å; Q256-Y258 PolarHBondContact O-N 3.25Å; Y258-S260 PolarHBondContact O-N 2.87Å; Y258-T261 PolarHBondContact O-N 2.95Å; Y258-T261 VanDerWaalsContact O-N 3.15Å; Y258-L262 WeakPolarHBondContact O-CG 3.16Å; Y258-L262 PolarHBondContact O-N 2.66Å; Y258-I286 HydrophobicContact CD1-CB 4.41Å; Y258-I286 HydrophobicContact CD1-CD1 3.93Å; Y258-I286 HydrophobicContact CD1-CG1 3.58Å; Y258-I286 HydrophobicContact CD1-CG2 4.35Å; Y258-I286 HydrophobicContact CE1-CB 4.14Å; Y258-I286 HydrophobicContact CE1-CD1 4.49Å; Y258-I286 HydrophobicContact CE1-CG1 3.79Å; Y258-I286 HydrophobicContact CE1-CG2 3.91Å; Y258-I286 HydrophobicContact CE2-CG2 4.25Å; Y258-I286 HydrophobicContact CG-CD1 3.99Å; Y258-I286 HydrophobicContact CG-CG1 4.16Å; Y258-N288 PolarHBondContact OH-ND2 3.33Å; Y258-D291 HydrophobicContact CE2-CB 4.09Å; Y258-D291 PolarHBondContact OH-OD2 3.46Å
259S91.4Very high90.7Very high34 Ų3468.3 Ų68.324%0.23836%0.362CS..Hα-helixtrans-55.1-47-179.659.30000113.1L250 Q256 E257 T261 L262 L263L250-S259 VanDerWaalsContact CD1-CA 3.48Å; Q256-S259 VanDerWaalsContact O-CB 3.23Å; Q256-S259 WeakPolarHBondContact O-CB 3.29Å; Q256-S259 PolarHBondContact O-N 3.05Å; Q256-S259 PolarHBondContact O-OG 3.03Å; E257-S259 VanDerWaalsContact C-N 3.35Å; S259-T261 VanDerWaalsContact C-N 3.33Å; S259-T261 PolarHBondContact O-N 2.95Å; S259-L262 PolarHBondContact O-N 3.47Å; S259-L263 WeakPolarHBondContact O-CB 3.09Å; S259-L263 PolarHBondContact O-N 3.2Å
260S92.2Very high90.6Very high88 Ų8870.6 Ų70.662%0.61537%0.374SS*.Hα-helixtrans-68-35.9-179.5-62.80000111.6Y258 L264Y258-S260 PolarHBondContact O-N 2.87Å; S260-L264 VanDerWaalsContact O-CB 3.31Å; S260-L264 WeakPolarHBondContact O-CB 3.36Å; S260-L264 PolarHBondContact O-N 2.8Å
261T92.8Very high90.4Very high49 Ų4975.8 Ų75.830%0.30140%0.398SS..Hα-helixtrans-68.8-44.7178.3-51.70000111.3Y258 S259 L264 N265 L284Y258-T261 PolarHBondContact O-N 2.95Å; Y258-T261 VanDerWaalsContact O-N 3.15Å; S259-T261 VanDerWaalsContact C-N 3.33Å; S259-T261 PolarHBondContact O-N 2.95Å; T261-L264 PolarHBondContact O-N 3.49Å; T261-N265 PolarHBondContact O-N 3.36Å; T261-N265 PolarHBondContact O-ND2 3.31Å; T261-L284 HydrophobicContact CG2-CB 4.27Å; T261-L284 HydrophobicContact CG2-CD2 4.37Å; T261-L284 WeakPolarHBondContact CG2-O 3.45Å
262L91.6Very high90.3Very high0 Ų073.2 Ų73.20%039%0.388CS..Hα-helixtrans-60.6-48.5175.5-76162000111.1L250 Y258 S259 L264 N265 G266 Y267 L273 I276 L284 L295L250-L262 HydrophobicContact CD1-CD1 3.82Å; L250-L262 HydrophobicContact CD2-CD1 3.83Å; L250-L262 HydrophobicContact CG-CD1 4.43Å; Y258-L262 WeakPolarHBondContact O-CG 3.16Å; Y258-L262 PolarHBondContact O-N 2.66Å; S259-L262 PolarHBondContact O-N 3.47Å; L262-L264 PolarHBondContact O-N 2.95Å; L262-N265 CarbonylContact O-C 3.5Å; L262-N265 PolarHBondContact O-N 2.95Å; L262-N265 VanDerWaalsContact O-N 3.12Å; L262-G266 PolarHBondContact O-N 3.38Å; L262-Y267 HydrophobicContact CD2-CD2 4Å; L262-Y267 HydrophobicContact CD2-CG 4.04Å; L262-Y267 WeakPolarHBondContact O-CB 3.21Å; L262-Y267 PolarHBondContact O-N 3.21Å; L262-L273 HydrophobicContact CD2-CD2 4.16Å; L262-I276 HydrophobicContact CD2-CD1 4Å; L262-L284 HydrophobicContact CD2-CD1 3.59Å; L262-L295 HydrophobicContact CD1-CD1 4.19Å
263L91.4Very high90.4Very high99 Ų9969.3 Ų69.352%0.51837%0.37SS..Hα-helixtrans-64.1-40.1-179.1-173.463.3000112.7S259 N265 G266 E268S259-L263 WeakPolarHBondContact O-CB 3.09Å; S259-L263 PolarHBondContact O-N 3.2Å; L263-N265 PolarHBondContact O-N 3.4Å; L263-G266 PolarHBondContact O-N 2.61Å; L263-G266 VanDerWaalsContact O-N 3.09Å; L263-E268 HydrophobicContact CD1-CB 3.96Å; L263-E268 HydrophobicContact CD1-CG 3.93Å
264L92.3Very high90.2Very high153 Ų15372 Ų7280%0.80138%0.381SS*.Hα-helixtrans-65.3-25.6177.6-172.563.6000112.6S260 T261 L262S260-L264 VanDerWaalsContact O-CB 3.31Å; S260-L264 WeakPolarHBondContact O-CB 3.36Å; S260-L264 PolarHBondContact O-N 2.8Å; T261-L264 PolarHBondContact O-N 3.49Å; L262-L264 PolarHBondContact O-N 2.95Å
265N92.2Very high90.1Very high92 Ų9270.4 Ų70.449%0.49238%0.378SS..THydrogen-bonded Turntrans-93.15.8176.8-73.8-87.7000113.2T261 L262 L263 Y267 L284T261-N265 PolarHBondContact O-N 3.36Å; T261-N265 PolarHBondContact O-ND2 3.31Å; L262-N265 CarbonylContact O-C 3.5Å; L262-N265 PolarHBondContact O-N 2.95Å; L262-N265 VanDerWaalsContact O-N 3.12Å; L263-N265 PolarHBondContact O-N 3.4Å; N265-Y267 HydrophobicContact CB-CD2 4Å; N265-Y267 HydrophobicContact CB-CE2 4.07Å; N265-L284 HydrophobicContact CB-CD2 3.35Å; N265-L284 WeakPolarHBondContact ND2-CD2 3.4Å
266G88.7Confident90Very high50 Ų5070.8 Ų70.852%0.51538%0.38SS..THydrogen-bonded Turntrans90.98.117400000115.4L262 L263 E268L262-G266 PolarHBondContact O-N 3.38Å; L263-G266 PolarHBondContact O-N 2.61Å; L263-G266 VanDerWaalsContact O-N 3.09Å; G266-E268 PolarHBondContact O-N 3.31Å
267Y91.3Very high90.1Very high43 Ų4373.3 Ų73.317%0.16939%0.389CS..  trans-84.287.5171.4-59.6-87.8000108.8L246 L262 N265 D272 L273 I276 L284L246-Y267 VanDerWaalsContact CD1-O 3.31Å; L246-Y267 WeakPolarHBondContact CD1-O 3.23Å; L262-Y267 HydrophobicContact CD2-CD2 4Å; L262-Y267 HydrophobicContact CD2-CG 4.04Å; L262-Y267 WeakPolarHBondContact O-CB 3.21Å; L262-Y267 PolarHBondContact O-N 3.21Å; N265-Y267 HydrophobicContact CB-CD2 4Å; N265-Y267 HydrophobicContact CB-CE2 4.07Å; Y267-D272 HydrophobicContact CD1-CB 3.75Å; Y267-D272 WeakPolarHBondContact CD1-O 3.39Å; Y267-D272 WeakPolarHBondContact CE1-O 3.21Å; Y267-D272 HydrophobicContact CG-CB 4.46Å; Y267-L273 HydrophobicContact CD1-CD2 4.17Å; Y267-L273 HydrophobicContact CG-CD2 4.5Å; Y267-I276 HydrophobicContact CD1-CD1 4.1Å; Y267-I276 HydrophobicContact CE1-CB 4.44Å; Y267-I276 HydrophobicContact CE1-CD1 3.75Å; Y267-I276 HydrophobicContact CE1-CG1 4.05Å; Y267-L284 HydrophobicContact CD2-CD1 4.25Å; Y267-L284 HydrophobicContact CD2-CD2 4.5Å; Y267-L284 HydrophobicContact CE2-CD1 3.86Å; Y267-L284 HydrophobicContact CE2-CD2 4.15Å; Y267-L284 HydrophobicContact CE2-CG 4.47Å
268E88.5Confident90.2Very high141 Ų14171.6 Ų71.666%0.65938%0.381SS*.  trans-100.1-30.4-178.8-174.1173179.600111.8L263 G266 D272L263-E268 HydrophobicContact CD1-CB 3.96Å; L263-E268 HydrophobicContact CD1-CG 3.93Å; G266-E268 PolarHBondContact O-N 3.31Å; E268-D272 PolarHBondContact N-OD2 3.08Å; E268-D272 VanDerWaalsContact N-OD2 3.15Å
269T89.1Confident90.3Very high69 Ų6973.4 Ų73.442%0.42340%0.397SS..SBendtrans-111.8162.5-175.270.50000112.2E271 D272T269-E271 PolarHBondContact O-N 2.79Å; T269-D272 PolarHBondContact N-OD2 2.96Å; T269-D272 PolarHBondContact O-N 3.38Å; T269-D272 PolarHBondContact OG1-N 3.21Å; T269-D272 PolarHBondContact OG1-OD2 2.88Å
270L88.1Confident90.4Very high52 Ų5274.4 Ų74.427%0.27240%0.398SS..Hα-helixtrans-67.6-26.4172.7-64.9-178.8000112.3K244 F249 D272 L273 K274 L302K244-L270 HydrophobicContact CB-CD1 4.24Å; K244-L270 VanDerWaalsContact O-CD1 3.26Å; K244-L270 WeakPolarHBondContact O-CD1 3.37Å; F249-L270 HydrophobicContact CB-CD2 3.77Å; F249-L270 HydrophobicContact CD1-CD2 4.17Å; F249-L270 HydrophobicContact CD2-CD2 4.48Å; F249-L270 HydrophobicContact CG-CD2 3.89Å; L270-D272 VanDerWaalsContact C-N 3.31Å; L270-D272 PolarHBondContact O-N 3.16Å; L270-L273 HydrophobicContact CD2-CD1 4.13Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 2.98Å; L270-L273 VanDerWaalsContact O-N 3.12Å; L270-K274 PolarHBondContact O-N 2.93Å; L270-L302 HydrophobicContact CD1-CD1 4.24Å; L270-L302 HydrophobicContact CD2-CD1 4.15Å
271E87.3Confident90.4Very high109 Ų10970.2 Ų70.251%0.50937%0.369SS..Hα-helixtrans-62.9-39.7174.9-171.363.2-16400110.8T269 L273 K274T269-E271 PolarHBondContact O-N 2.79Å; E271-L273 PolarHBondContact O-N 3.09Å; E271-L273 VanDerWaalsContact O-N 3.14Å; E271-K274 WeakPolarHBondContact O-CB 3.36Å; E271-K274 PolarHBondContact O-N 2.79Å
272D88.9Confident90.4Very high59 Ų5971.5 Ų71.532%0.31638%0.376SS..Hα-helixtrans-62.9-24.2176.7-52.8-48.1000112.3Y267 E268 T269 L270Y267-D272 HydrophobicContact CD1-CB 3.75Å; Y267-D272 WeakPolarHBondContact CD1-O 3.39Å; Y267-D272 WeakPolarHBondContact CE1-O 3.21Å; Y267-D272 HydrophobicContact CG-CB 4.46Å; E268-D272 PolarHBondContact N-OD2 3.08Å; E268-D272 VanDerWaalsContact N-OD2 3.15Å; T269-D272 PolarHBondContact N-OD2 2.96Å; T269-D272 PolarHBondContact O-N 3.38Å; T269-D272 PolarHBondContact OG1-N 3.21Å; T269-D272 PolarHBondContact OG1-OD2 2.88Å; L270-D272 VanDerWaalsContact C-N 3.31Å; L270-D272 PolarHBondContact O-N 3.16Å
273L88.7Confident90.4Very high2 Ų279 Ų791%0.0141%0.412CS..Hα-helixtrans-83.5-16.4177.5-59.4179.2000113L246 F249 L262 Y267 L270 E271 D275 I276L246-L273 HydrophobicContact CD1-CD1 3.96Å; L246-L273 HydrophobicContact CD1-CD2 4.49Å; L246-L273 HydrophobicContact CD1-CG 4.24Å; L246-L273 HydrophobicContact CG-CD1 4.49Å; F249-L273 HydrophobicContact CD1-CD1 3.81Å; F249-L273 HydrophobicContact CE1-CD1 3.71Å; L262-L273 HydrophobicContact CD2-CD2 4.16Å; Y267-L273 HydrophobicContact CD1-CD2 4.17Å; Y267-L273 HydrophobicContact CG-CD2 4.5Å; L270-L273 HydrophobicContact CD2-CD1 4.13Å; L270-L273 WeakPolarHBondContact O-CB 3.43Å; L270-L273 PolarHBondContact O-N 2.98Å; L270-L273 VanDerWaalsContact O-N 3.12Å; E271-L273 PolarHBondContact O-N 3.09Å; E271-L273 VanDerWaalsContact O-N 3.14Å; L273-D275 VanDerWaalsContact C-N 3.3Å; L273-D275 PolarHBondContact O-N 2.83Å; L273-I276 HydrophobicContact CD2-CD1 4.03Å; L273-I276 WeakPolarHBondContact O-CG2 3.4Å; L273-I276 PolarHBondContact O-N 2.85Å
274K86.9Confident90.4Very high76 Ų7674.7 Ų74.733%0.3339%0.389SS..Hα-helixtrans-63.8-37.6176.7178.1161.6-175.8167.90111.8L270 E271 L303 E306L270-K274 PolarHBondContact O-N 2.93Å; E271-K274 WeakPolarHBondContact O-CB 3.36Å; E271-K274 PolarHBondContact O-N 2.79Å; K274-L303 HydrophobicContact CB-CD2 4.06Å; K274-L303 HydrophobicContact CD-CD2 3.33Å; K274-L303 VanDerWaalsContact CE-CD2 3.49Å; K274-L303 HydrophobicContact CG-CD1 4.07Å; K274-L303 HydrophobicContact CG-CD2 3.43Å; K274-L303 VanDerWaalsContact CG-CD2 3.43Å; K274-L303 HydrophobicContact CG-CG 4.37Å; K274-E306 IonicContact NZ-OE2 3.65Å; K274-E306 PolarHBondContact NZ-OE2 3.36Å
275D85.8Confident90.2Very high120 Ų12073.9 Ų73.964%0.64239%0.385SS*.THydrogen-bonded Turntrans-933.1-179-68.4-35000113.5L273 K277L273-D275 VanDerWaalsContact C-N 3.3Å; L273-D275 PolarHBondContact O-N 2.83Å; D275-K277 PolarHBondContact O-N 3.3Å
276I90.6Very high90.1Very high10 Ų1069.6 Ų69.65%0.05136%0.362CS..  trans-72.4130.5-177.9-152.3163.9000110.5L262 Y267 L273 H280 L281 L284 L295 L296L262-I276 HydrophobicContact CD2-CD1 4Å; Y267-I276 HydrophobicContact CD1-CD1 4.1Å; Y267-I276 HydrophobicContact CE1-CB 4.44Å; Y267-I276 HydrophobicContact CE1-CD1 3.75Å; Y267-I276 HydrophobicContact CE1-CG1 4.05Å; L273-I276 HydrophobicContact CD2-CD1 4.03Å; L273-I276 WeakPolarHBondContact O-CG2 3.4Å; L273-I276 PolarHBondContact O-N 2.85Å; I276-H280 HydrophobicContact CG1-CB 3.84Å; I276-L281 HydrophobicContact CD1-CD2 3.44Å; I276-L281 VanDerWaalsContact CD1-CD2 3.44Å; I276-L281 HydrophobicContact CD1-CG 4.32Å; I276-L281 HydrophobicContact CG1-CD2 3.93Å; I276-L281 HydrophobicContact CG1-CG 4.29Å; I276-L284 HydrophobicContact CD1-CD1 4.09Å; I276-L295 HydrophobicContact CG2-CD2 3.82Å; I276-L296 HydrophobicContact CG2-CD2 4.03Å; I276-L296 VanDerWaalsContact O-CD2 3.31Å; I276-L296 WeakPolarHBondContact O-CD2 3Å
277K92.4Very high90Very high136 Ų13670.9 Ų70.959%0.59137%0.368SS*.  trans-112163.2177.7-65.2-178-177.1176.10110D275 S279 H280 L281D275-K277 PolarHBondContact O-N 3.3Å; K277-S279 PolarHBondContact O-N 2.77Å; K277-S279 VanDerWaalsContact O-N 3.13Å; K277-H280 PolarHBondContact N-ND1 2.85Å; K277-H280 WeakPolarHBondContact O-CB 2.75Å; K277-H280 PolarHBondContact O-N 2.85Å; K277-L281 PolarHBondContact O-N 3.3Å
278E93.1Very high90.1Very high98 Ų9873 Ų7346%0.45838%0.382SS..Hα-helixtrans-53.6-35.6175.6-168.2-179.3168.200112.3L281 V282 R292 L296E278-L281 PolarHBondContact O-N 3.3Å; E278-V282 WeakPolarHBondContact O-CG2 3.48Å; E278-V282 PolarHBondContact O-N 3.1Å; E278-V282 VanDerWaalsContact O-N 3.11Å; E278-R292 IonicContact OE1-CZ 3.59Å; E278-R292 IonicContact OE1-NH1 2.73Å; E278-R292 PolarHBondContact OE1-NH1 3.18Å; E278-R292 IonicContact OE1-NH2 3.5Å; E278-R292 PolarHBondContact OE1-NH2 3.02Å; E278-L296 HydrophobicContact CB-CD1 3.9Å; E278-L296 HydrophobicContact CG-CD1 4.41Å
279S92.4Very high90.3Very high61 Ų6169 Ų6943%0.42737%0.374SS..Hα-helixtrans-60.3-44175.553.10000112.9K277 L281 V282 E283K277-S279 PolarHBondContact O-N 2.77Å; K277-S279 VanDerWaalsContact O-N 3.13Å; S279-L281 VanDerWaalsContact C-N 3.3Å; S279-L281 PolarHBondContact O-N 2.92Å; S279-V282 PolarHBondContact O-N 2.9Å; S279-E283 PolarHBondContact O-N 2.91Å; S279-E283 VanDerWaalsContact O-N 3.09Å
280H93.8Very high90.5Very high56 Ų5671.7 Ų71.726%0.25938%0.381SS..Hα-helixtrans-63.8-39.9178.3-54.8153.1000110.5I276 K277 V282 E283 L284I276-H280 HydrophobicContact CG1-CB 3.84Å; K277-H280 PolarHBondContact N-ND1 2.85Å; K277-H280 WeakPolarHBondContact O-CB 2.75Å; K277-H280 PolarHBondContact O-N 2.85Å; H280-V282 VanDerWaalsContact C-N 3.3Å; H280-V282 PolarHBondContact O-N 3.29Å; H280-E283 PolarHBondContact O-N 2.83Å; H280-E283 VanDerWaalsContact O-N 3.17Å; H280-L284 WeakPolarHBondContact O-CB 3.32Å; H280-L284 WeakPolarHBondContact O-CG 3.02Å; H280-L284 PolarHBondContact O-N 2.92Å
281L93.3Very high90.8Very high0 Ų070 Ų700%037%0.372CS..Hα-helixtrans-64.8-35178.2-57.1174.4000112.2I276 K277 E278 S279 L284 I286 R292 L295 L296I276-L281 HydrophobicContact CD1-CD2 3.44Å; I276-L281 VanDerWaalsContact CD1-CD2 3.44Å; I276-L281 HydrophobicContact CD1-CG 4.32Å; I276-L281 HydrophobicContact CG1-CD2 3.93Å; I276-L281 HydrophobicContact CG1-CG 4.29Å; K277-L281 PolarHBondContact O-N 3.3Å; E278-L281 PolarHBondContact O-N 3.3Å; S279-L281 VanDerWaalsContact C-N 3.3Å; S279-L281 PolarHBondContact O-N 2.92Å; L281-L284 HydrophobicContact CD2-CD1 4.32Å; L281-L284 PolarHBondContact O-N 2.79Å; L281-I286 HydrophobicContact CB-CB 4.36Å; L281-I286 HydrophobicContact CB-CD1 4.43Å; L281-I286 HydrophobicContact CD2-CD1 3.9Å; L281-I286 WeakPolarHBondContact O-CA 3.44Å; L281-I286 VanDerWaalsContact O-CB 3.24Å; L281-I286 WeakPolarHBondContact O-CB 3.36Å; L281-I286 PolarHBondContact O-N 2.94Å; L281-R292 HydrophobicContact CB-CG 3.78Å; L281-R292 HydrophobicContact CD1-CB 3.97Å; L281-R292 HydrophobicContact CD1-CG 4.13Å; L281-L295 HydrophobicContact CD1-CD2 4.25Å; L281-L295 HydrophobicContact CD2-CD1 4.02Å; L281-L295 HydrophobicContact CD2-CD2 3.89Å; L281-L295 HydrophobicContact CD2-CG 4.47Å; L281-L296 HydrophobicContact CD1-CD1 4.05Å; L281-L296 HydrophobicContact CD1-CD2 3.95Å; L281-L296 HydrophobicContact CD1-CG 3.67Å
282V91.9Very high91.1Very high76 Ų7666.7 Ų66.746%0.46136%0.355SS..Hα-helixtrans-65.6-43173.2175.60000111.1E278 S279 H280 L284 N285E278-V282 WeakPolarHBondContact O-CG2 3.48Å; E278-V282 PolarHBondContact O-N 3.1Å; E278-V282 VanDerWaalsContact O-N 3.11Å; S279-V282 PolarHBondContact O-N 2.9Å; H280-V282 VanDerWaalsContact C-N 3.3Å; H280-V282 PolarHBondContact O-N 3.29Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 PolarHBondContact O-N 2.86Å; V282-N285 PolarHBondContact O-N 2.8Å
283E92.4Very high91.2Very high158 Ų15870.4 Ų70.474%0.73837%0.372SS*.Hα-helixtrans-65.1-32.5176.4-70174.2-171.400112.4S279 H280 N285S279-E283 PolarHBondContact O-N 2.91Å; S279-E283 VanDerWaalsContact O-N 3.09Å; H280-E283 PolarHBondContact O-N 2.83Å; H280-E283 VanDerWaalsContact O-N 3.17Å; E283-N285 PolarHBondContact O-N 3.47Å; E283-N285 VanDerWaalsContact O-N 3.13Å
284L90.4Very high91.5Very high8 Ų875.7 Ų75.74%0.04239%0.392CS..THydrogen-bonded Turntrans-73.89.4172.5-66.2170.9000113.5T261 L262 N265 Y267 I276 H280 L281 V282 I286T261-L284 HydrophobicContact CG2-CB 4.27Å; T261-L284 HydrophobicContact CG2-CD2 4.37Å; T261-L284 WeakPolarHBondContact CG2-O 3.45Å; L262-L284 HydrophobicContact CD2-CD1 3.59Å; N265-L284 HydrophobicContact CB-CD2 3.35Å; N265-L284 WeakPolarHBondContact ND2-CD2 3.4Å; Y267-L284 HydrophobicContact CD2-CD1 4.25Å; Y267-L284 HydrophobicContact CD2-CD2 4.5Å; Y267-L284 HydrophobicContact CE2-CD1 3.86Å; Y267-L284 HydrophobicContact CE2-CD2 4.15Å; Y267-L284 HydrophobicContact CE2-CG 4.47Å; I276-L284 HydrophobicContact CD1-CD1 4.09Å; H280-L284 WeakPolarHBondContact O-CB 3.32Å; H280-L284 WeakPolarHBondContact O-CG 3.02Å; H280-L284 PolarHBondContact O-N 2.92Å; L281-L284 HydrophobicContact CD2-CD1 4.32Å; L281-L284 PolarHBondContact O-N 2.79Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 PolarHBondContact O-N 2.86Å; L284-I286 HydrophobicContact CB-CD1 4.31Å; L284-I286 HydrophobicContact CB-CG1 4.11Å; L284-I286 PolarHBondContact O-N 2.81Å
285N88.6Confident91.8Very high136 Ų13672.1 Ų72.173%0.72738%0.377SS*.THydrogen-bonded Turntrans62.525.5-179.9-158.426.6000113.8V282 E283 A287V282-N285 PolarHBondContact O-N 2.8Å; E283-N285 PolarHBondContact O-N 3.47Å; E283-N285 VanDerWaalsContact O-N 3.13Å; N285-A287 VanDerWaalsContact C-N 3.3Å; N285-A287 PolarHBondContact O-N 3.49Å
286I89.6Confident92.1Very high2 Ų268.7 Ų68.71%0.0136%0.358CS..  trans-88.174.6170.9-47-176.9000107.3Y258 L281 L284 N288 D291 R292Y258-I286 HydrophobicContact CD1-CB 4.41Å; Y258-I286 HydrophobicContact CD1-CD1 3.93Å; Y258-I286 HydrophobicContact CD1-CG1 3.58Å; Y258-I286 HydrophobicContact CD1-CG2 4.35Å; Y258-I286 HydrophobicContact CE1-CB 4.14Å; Y258-I286 HydrophobicContact CE1-CD1 4.49Å; Y258-I286 HydrophobicContact CE1-CG1 3.79Å; Y258-I286 HydrophobicContact CE1-CG2 3.91Å; Y258-I286 HydrophobicContact CE2-CG2 4.25Å; Y258-I286 HydrophobicContact CG-CD1 3.99Å; Y258-I286 HydrophobicContact CG-CG1 4.16Å; L281-I286 HydrophobicContact CB-CB 4.36Å; L281-I286 HydrophobicContact CB-CD1 4.43Å; L281-I286 HydrophobicContact CD2-CD1 3.9Å; L281-I286 WeakPolarHBondContact O-CA 3.44Å; L281-I286 VanDerWaalsContact O-CB 3.24Å; L281-I286 WeakPolarHBondContact O-CB 3.36Å; L281-I286 PolarHBondContact O-N 2.94Å; L284-I286 HydrophobicContact CB-CD1 4.31Å; L284-I286 HydrophobicContact CB-CG1 4.11Å; L284-I286 PolarHBondContact O-N 2.81Å; I286-N288 VanDerWaalsContact C-N 3.28Å; I286-N288 PolarHBondContact O-N 2.82Å; I286-D291 HydrophobicContact CG2-CB 3.89Å; I286-R292 HydrophobicContact CB-CG 4.29Å; I286-R292 HydrophobicContact CG2-CG 3.92Å; I286-R292 WeakPolarHBondContact O-CD 3.27Å; I286-R292 VanDerWaalsContact O-CG 3.28Å; I286-R292 WeakPolarHBondContact O-CG 3.18Å
287A86.6Confident92.1Very high76 Ų7671.6 Ų71.663%0.62838%0.379SS*.  trans-71.3-22.6-174.700000113.4N285 A289N285-A287 VanDerWaalsContact C-N 3.3Å; N285-A287 PolarHBondContact O-N 3.49Å; A287-A289 PolarHBondContact O-N 3.38Å
288N93.3Very high92Very high87 Ų8766 Ų6647%0.46536%0.359SS..  trans-69.1120-178.4-69.2-25.6000111.1Y258 I286 E290 D291 R292Y258-N288 PolarHBondContact OH-ND2 3.33Å; I286-N288 VanDerWaalsContact C-N 3.28Å; I286-N288 PolarHBondContact O-N 2.82Å; N288-E290 VanDerWaalsContact C-N 3.28Å; N288-E290 PolarHBondContact O-N 3.29Å; N288-D291 HydrophobicContact CB-CB 3.97Å; N288-D291 WeakPolarHBondContact CB-OD2 3.43Å; N288-D291 PolarHBondContact ND2-OD2 3.45Å; N288-D291 PolarHBondContact O-N 3.33Å; N288-R292 WeakPolarHBondContact O-CG 3.44Å; N288-R292 PolarHBondContact O-N 3.36Å; N288-R292 VanDerWaalsContact O-N 3.12Å
289A92.7Very high91.9Very high59 Ų5961.6 Ų61.649%0.48834%0.339SS..Hα-helixtrans-62.4-35.317900000113A287 M293A287-A289 PolarHBondContact O-N 3.38Å; A289-M293 WeakPolarHBondContact O-CB 3.5Å; A289-M293 PolarHBondContact O-N 2.83Å
290E93.7Very high91.6Very high125 Ų12564.6 Ų64.658%0.58435%0.346SS*.Hα-helixtrans-65.7-42.6177.5-63.2-176.9-168.700112.2N288 M293 R294N288-E290 VanDerWaalsContact C-N 3.28Å; N288-E290 PolarHBondContact O-N 3.29Å; E290-M293 PolarHBondContact O-N 3.05Å; E290-R294 WeakPolarHBondContact O-CB 3.19Å; E290-R294 VanDerWaalsContact O-CG 3.26Å; E290-R294 WeakPolarHBondContact O-CG 3.28Å; E290-R294 PolarHBondContact O-N 2.77Å; E290-R294 IonicContact OE2-CZ 3.01Å; E290-R294 IonicContact OE2-NH1 2.79Å; E290-R294 IonicContact OE2-NH2 2.72Å; E290-R294 PolarHBondContact OE2-NH2 3.09Å
291D93.6Very high91.2Very high15 Ų1565 Ų658%0.0836%0.356CS..Hα-helixtrans-68.8-39.8-179-63.2-19.4000110.8L255 Y258 I286 N288 R294 L295L255-D291 HydrophobicContact CD1-CB 4.44Å; L255-D291 WeakPolarHBondContact CD1-O 3.27Å; L255-D291 HydrophobicContact CD2-CB 3.6Å; L255-D291 VanDerWaalsContact CD2-CG 3.5Å; L255-D291 WeakPolarHBondContact CD2-OD1 3.43Å; Y258-D291 HydrophobicContact CE2-CB 4.09Å; Y258-D291 PolarHBondContact OH-OD2 3.46Å; I286-D291 HydrophobicContact CG2-CB 3.89Å; N288-D291 HydrophobicContact CB-CB 3.97Å; N288-D291 WeakPolarHBondContact CB-OD2 3.43Å; N288-D291 PolarHBondContact ND2-OD2 3.45Å; N288-D291 PolarHBondContact O-N 3.33Å; D291-R294 PolarHBondContact O-N 2.82Å; D291-R294 IonicContact OD1-NH1 2.84Å; D291-R294 PolarHBondContact OD1-NH1 3.44Å; D291-L295 WeakPolarHBondContact O-CB 3.24Å; D291-L295 PolarHBondContact O-N 2.95Å
292R93.9Very high90.6Very high41 Ų4167 Ų6716%0.15537%0.366CS..Hα-helixtrans-59.7-47.8172.9-67-174.8-65.6146.623.2111.6E278 L281 I286 N288 L295 L296E278-R292 IonicContact OE1-CZ 3.59Å; E278-R292 IonicContact OE1-NH1 2.73Å; E278-R292 PolarHBondContact OE1-NH1 3.18Å; E278-R292 IonicContact OE1-NH2 3.5Å; E278-R292 PolarHBondContact OE1-NH2 3.02Å; L281-R292 HydrophobicContact CB-CG 3.78Å; L281-R292 HydrophobicContact CD1-CB 3.97Å; L281-R292 HydrophobicContact CD1-CG 4.13Å; I286-R292 HydrophobicContact CB-CG 4.29Å; I286-R292 HydrophobicContact CG2-CG 3.92Å; I286-R292 WeakPolarHBondContact O-CD 3.27Å; I286-R292 VanDerWaalsContact O-CG 3.28Å; I286-R292 WeakPolarHBondContact O-CG 3.18Å; N288-R292 WeakPolarHBondContact O-CG 3.44Å; N288-R292 PolarHBondContact O-N 3.36Å; N288-R292 VanDerWaalsContact O-N 3.12Å; R292-L295 PolarHBondContact O-N 2.71Å; R292-L296 WeakPolarHBondContact O-CB 3.43Å; R292-L296 VanDerWaalsContact O-CG 3.28Å; R292-L296 WeakPolarHBondContact O-CG 3.45Å; R292-L296 PolarHBondContact O-N 3.1Å
293M91.9Very high89.8Confident136 Ų13665.7 Ų65.767%0.6736%0.356SS*.Hα-helixtrans-63.4-43.7178.4-176.2-175.6-65.900111.9A289 E290 L295 L296 S297A289-M293 WeakPolarHBondContact O-CB 3.5Å; A289-M293 PolarHBondContact O-N 2.83Å; E290-M293 PolarHBondContact O-N 3.05Å; M293-L295 PolarHBondContact O-N 2.83Å; M293-L296 PolarHBondContact O-N 3.06Å; M293-S297 WeakPolarHBondContact O-CB 3.36Å; M293-S297 PolarHBondContact O-N 2.66Å
294R93.6Very high88.6Confident113 Ų11362.4 Ų62.443%0.42634%0.344SS..Hα-helixtrans-60.1-45.3177.3-76.4174.5-168.6125.78.8111.6L255 E290 D291 A298L255-R294 HydrophobicContact CD1-CB 4.17Å; E290-R294 WeakPolarHBondContact O-CB 3.19Å; E290-R294 VanDerWaalsContact O-CG 3.26Å; E290-R294 WeakPolarHBondContact O-CG 3.28Å; E290-R294 PolarHBondContact O-N 2.77Å; E290-R294 IonicContact OE2-CZ 3.01Å; E290-R294 IonicContact OE2-NH1 2.79Å; E290-R294 IonicContact OE2-NH2 2.72Å; E290-R294 PolarHBondContact OE2-NH2 3.09Å; D291-R294 PolarHBondContact O-N 2.82Å; D291-R294 IonicContact OD1-NH1 2.84Å; D291-R294 PolarHBondContact OD1-NH1 3.44Å; R294-A298 WeakPolarHBondContact O-CB 3.22Å; R294-A298 PolarHBondContact O-N 3.23Å
295L93.1Very high87.3Confident1 Ų167.5 Ų67.51%0.00537%0.367CS..Hα-helixtrans-66.4-48.2180-167.1154.2000111.4L250 I253 L255 L262 I276 L281 D291 R292 M293 A298 A299L250-L295 HydrophobicContact CD2-CD1 4.29Å; I253-L295 HydrophobicContact CD1-CB 4.43Å; I253-L295 HydrophobicContact CD1-CG 4.39Å; L255-L295 HydrophobicContact CD1-CB 3.86Å; L255-L295 HydrophobicContact CD1-CD1 4.41Å; L262-L295 HydrophobicContact CD1-CD1 4.19Å; I276-L295 HydrophobicContact CG2-CD2 3.82Å; L281-L295 HydrophobicContact CD1-CD2 4.25Å; L281-L295 HydrophobicContact CD2-CD1 4.02Å; L281-L295 HydrophobicContact CD2-CD2 3.89Å; L281-L295 HydrophobicContact CD2-CG 4.47Å; D291-L295 WeakPolarHBondContact O-CB 3.24Å; D291-L295 PolarHBondContact O-N 2.95Å; R292-L295 PolarHBondContact O-N 2.71Å; M293-L295 PolarHBondContact O-N 2.83Å; L295-A298 PolarHBondContact O-N 2.86Å; L295-A299 VanDerWaalsContact O-CB 3.31Å; L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.25Å
296L92.1Very high85.9Confident48 Ų4865.1 Ų65.125%0.25135%0.352SS..Hα-helixtrans-62.2-47.6178.8-69.4169.8000111.9I276 E278 L281 R292 M293 A298 A299 E300I276-L296 HydrophobicContact CG2-CD2 4.03Å; I276-L296 VanDerWaalsContact O-CD2 3.31Å; I276-L296 WeakPolarHBondContact O-CD2 3Å; E278-L296 HydrophobicContact CB-CD1 3.9Å; E278-L296 HydrophobicContact CG-CD1 4.41Å; L281-L296 HydrophobicContact CD1-CD1 4.05Å; L281-L296 HydrophobicContact CD1-CD2 3.95Å; L281-L296 HydrophobicContact CD1-CG 3.67Å; R292-L296 WeakPolarHBondContact O-CB 3.43Å; R292-L296 VanDerWaalsContact O-CG 3.28Å; R292-L296 WeakPolarHBondContact O-CG 3.45Å; R292-L296 PolarHBondContact O-N 3.1Å; M293-L296 PolarHBondContact O-N 3.06Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.01Å; L296-A299 PolarHBondContact O-N 3.25Å; L296-E300 WeakPolarHBondContact O-CB 3.16Å; L296-E300 PolarHBondContact O-N 3.44Å
297S91.7Very high84Confident71 Ų7168.6 Ų68.650%0.49737%0.373SS..Hα-helixtrans-64.2-38.1179.3177.60000112M293 S301M293-S297 WeakPolarHBondContact O-CB 3.36Å; M293-S297 PolarHBondContact O-N 2.66Å; S297-S301 WeakPolarHBondContact O-CB 3.24Å; S297-S301 PolarHBondContact O-N 3.49Å
298A90.8Very high82.3Confident19 Ų1969.6 Ų69.616%0.15737%0.368CS..Hα-helixtrans-72.5-33.2176.400000112.9F249 I253 R294 L295 L296 L302F249-A298 HydrophobicContact CE2-CB 3.79Å; F249-A298 HydrophobicContact CZ-CB 3.71Å; I253-A298 HydrophobicContact CD1-CB 4.43Å; I253-A298 HydrophobicContact CG2-CB 3.44Å; I253-A298 VanDerWaalsContact CG2-CB 3.44Å; R294-A298 WeakPolarHBondContact O-CB 3.22Å; R294-A298 PolarHBondContact O-N 3.23Å; L295-A298 PolarHBondContact O-N 2.86Å; L296-A298 VanDerWaalsContact C-N 3.32Å; L296-A298 PolarHBondContact O-N 3.01Å; A298-L302 WeakPolarHBondContact O-CG 3.38Å; A298-L302 PolarHBondContact O-N 3.27Å
299A89.6Confident80.2Confident6 Ų671.5 Ų71.55%0.0537%0.374CS..Hα-helixtrans-67.8-43.1173.900000111.2L295 L296 S301 L302 L303L295-A299 VanDerWaalsContact O-CB 3.31Å; L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.25Å; L296-A299 PolarHBondContact O-N 3.25Å; A299-S301 VanDerWaalsContact C-N 3.33Å; A299-S301 PolarHBondContact O-N 2.88Å; A299-L302 WeakPolarHBondContact O-CB 3.16Å; A299-L302 PolarHBondContact O-N 3.47Å; A299-L303 PolarHBondContact O-N 3.44Å
300E86.8Confident78.1Confident124 Ų12475.6 Ų75.658%0.57938%0.383SS*.Hα-helixtrans-60.3-42.4174-173.2174.4-161.100111.6L296 L302 L303 D304L296-E300 WeakPolarHBondContact O-CB 3.16Å; L296-E300 PolarHBondContact O-N 3.44Å; E300-L302 PolarHBondContact O-N 3.26Å; E300-L302 VanDerWaalsContact O-N 3.16Å; E300-L303 WeakPolarHBondContact O-CB 3.4Å; E300-L303 PolarHBondContact O-N 3.4Å; E300-D304 PolarHBondContact O-N 3.48Å
301S86.5Confident75.6Confident65 Ų6577 Ų7746%0.45539%0.389SS..Hα-helixtrans-62.3-20.7174178.90000113.8S297 A299 E305S297-S301 WeakPolarHBondContact O-CB 3.24Å; S297-S301 PolarHBondContact O-N 3.49Å; A299-S301 VanDerWaalsContact C-N 3.33Å; A299-S301 PolarHBondContact O-N 2.88Å; S301-E305 WeakPolarHBondContact O-CG 3.48Å
302L80.4Confident73Confident40 Ų4084.7 Ų84.721%0.20943%0.425CS..Hα-helixtrans-75.9-27.5171.5-65.6174000112F249 L270 A298 A299 E300F249-L302 HydrophobicContact CD2-CD1 3.72Å; F249-L302 HydrophobicContact CD2-CD2 4.45Å; F249-L302 HydrophobicContact CD2-CG 4.37Å; F249-L302 HydrophobicContact CE2-CD1 3.52Å; F249-L302 HydrophobicContact CE2-CD2 4.49Å; F249-L302 HydrophobicContact CE2-CG 4.02Å; F249-L302 HydrophobicContact CG-CD1 4.48Å; F249-L302 HydrophobicContact CZ-CD1 4.15Å; L270-L302 HydrophobicContact CD1-CD1 4.24Å; L270-L302 HydrophobicContact CD2-CD1 4.15Å; A298-L302 WeakPolarHBondContact O-CG 3.38Å; A298-L302 PolarHBondContact O-N 3.27Å; A299-L302 WeakPolarHBondContact O-CB 3.16Å; A299-L302 PolarHBondContact O-N 3.47Å; E300-L302 PolarHBondContact O-N 3.26Å; E300-L302 VanDerWaalsContact O-N 3.16Å
303L73.8Confident70.3Confident50 Ų5089.6 Ų89.626%0.26245%0.454SS..Hα-helixtrans-76.1-36.5-179.8-55.1-179.4000112.3K274 A299 E300 E305 E306 T307K274-L303 HydrophobicContact CB-CD2 4.06Å; K274-L303 HydrophobicContact CD-CD2 3.33Å; K274-L303 VanDerWaalsContact CE-CD2 3.49Å; K274-L303 HydrophobicContact CG-CD1 4.07Å; K274-L303 HydrophobicContact CG-CD2 3.43Å; K274-L303 VanDerWaalsContact CG-CD2 3.43Å; K274-L303 HydrophobicContact CG-CG 4.37Å; A299-L303 PolarHBondContact O-N 3.44Å; E300-L303 WeakPolarHBondContact O-CB 3.4Å; E300-L303 PolarHBondContact O-N 3.4Å; L303-E305 VanDerWaalsContact C-N 3.27Å; L303-E305 PolarHBondContact O-N 3.13Å; L303-E306 PolarHBondContact O-N 3.33Å; L303-T307 PolarHBondContact O-N 3.07Å; L303-T307 VanDerWaalsContact O-N 3.09Å; L303-T307 PolarHBondContact O-OG1 2.98Å
304D68.8Low67.4Low89 Ų8989.4 Ų89.448%0.47645%0.452SS..Hα-helixtrans-65.9-30.3178-72.3-17.7000112.2E300 T307 N308E300-D304 PolarHBondContact O-N 3.48Å; D304-T307 WeakPolarHBondContact CA-OG1 3.16Å; D304-T307 PolarHBondContact O-OG1 2.92Å; D304-N308 WeakPolarHBondContact O-CB 3.02Å; D304-N308 PolarHBondContact O-N 2.6Å; D304-N308 VanDerWaalsContact O-N 3.14Å; D304-N308 PolarHBondContact O-ND2 3.03Å
305E63.1Low64.9Low114 Ų11489.7 Ų89.753%0.53347%0.468SS..Hα-helixtrans-73.8-39.8176.5-61.1-74.5136.200111.1S301 L303 T307 N308 E309S301-E305 WeakPolarHBondContact O-CG 3.48Å; L303-E305 VanDerWaalsContact C-N 3.27Å; L303-E305 PolarHBondContact O-N 3.13Å; E305-T307 PolarHBondContact O-N 3.43Å; E305-N308 PolarHBondContact O-N 3.27Å; E305-E309 WeakPolarHBondContact O-CG 3.47Å; E305-E309 PolarHBondContact O-N 3.35Å
306E58.1Low62Low87 Ų8796.4 Ų96.441%0.40750%0.503SS..Hα-helixtrans-63.9-39.1175.8-171.5-177.8-159.300111.8K274 L303K274-E306 IonicContact NZ-OE2 3.65Å; K274-E306 PolarHBondContact NZ-OE2 3.36Å; L303-E306 PolarHBondContact O-N 3.33Å
307T50.8Low59.4Low74 Ų7499.5 Ų99.545%0.45453%0.526SS..Hα-helixtrans-78.1-27.8-179.537.40000114L303 D304 E305 E309 E310 Q311L303-T307 PolarHBondContact O-N 3.07Å; L303-T307 VanDerWaalsContact O-N 3.09Å; L303-T307 PolarHBondContact O-OG1 2.98Å; D304-T307 WeakPolarHBondContact CA-OG1 3.16Å; D304-T307 PolarHBondContact O-OG1 2.92Å; E305-T307 PolarHBondContact O-N 3.43Å; T307-E309 VanDerWaalsContact C-N 3.35Å; T307-E310 PolarHBondContact O-N 3.4Å; T307-Q311 PolarHBondContact O-N 3.31Å
308N49.6Very low56.8Low98 Ų98104.7 Ų104.752%0.52455%0.548SS..Hα-helixtrans-70.5-31.3172.2-81.2-54.7000112.2D304 E305 E310 Q311D304-N308 WeakPolarHBondContact O-CB 3.02Å; D304-N308 PolarHBondContact O-N 2.6Å; D304-N308 VanDerWaalsContact O-N 3.14Å; D304-N308 PolarHBondContact O-ND2 3.03Å; E305-N308 PolarHBondContact O-N 3.27Å; N308-E310 VanDerWaalsContact C-N 3.29Å; N308-E310 PolarHBondContact O-N 3.22Å; N308-Q311 PolarHBondContact O-N 3.22Å
309E49.6Very low54Low127 Ų127108.3 Ų108.359%0.59357%0.572SS**Hα-helixtrans-67.3-28.2173.8-70.1-177.6-171.600112.6E305 T307E305-E309 WeakPolarHBondContact O-CG 3.47Å; E305-E309 PolarHBondContact O-N 3.35Å; T307-E309 VanDerWaalsContact C-N 3.35Å
310E48.2Very low51.3Low145 Ų145115.5 Ų115.568%0.67861%0.609SS**Hα-helixtrans-82.2-21.4177.9-67.9-175.4158.700113.5T307 N308T307-E310 PolarHBondContact O-N 3.4Å; N308-E310 VanDerWaalsContact C-N 3.29Å; N308-E310 PolarHBondContact O-N 3.22Å
311Q41.4Very low49Very low153 Ų153119.8 Ų119.872%0.71562%0.619SS**Hα-helixtrans-92.5-10.4-173.4-160.1156.254.100114.7T307 N308 N313T307-Q311 PolarHBondContact O-N 3.31Å; N308-Q311 PolarHBondContact O-N 3.22Å; Q311-N313 VanDerWaalsContact C-N 3.3Å; Q311-N313 PolarHBondContact O-N 3.5Å
312E39.4Very low46.7Very low178 Ų178122.9 Ų122.983%0.83264%0.638SS**THydrogen-bonded Turntrans-78.9-1.9176.8-72.1-161.6147.600114.8
313N37.1Very low44.4Very low144 Ų144126.4 Ų126.477%0.7766%0.657SS**THydrogen-bonded Turntrans-107.920.8-178-79.9-75.1000116Q311Q311-N313 VanDerWaalsContact C-N 3.3Å; Q311-N313 PolarHBondContact O-N 3.5Å
314E31.9Very low42.7Very low131 Ų131130.3 Ų130.361%0.61268%0.677SS**  trans-124.5119.6172.8-110.7-69.2155.300111.1L316E314-L316 PolarHBondContact O-N 3.06Å; E314-L316 VanDerWaalsContact O-N 3.14Å; E314-L316 WeakPolarHBondContact OE2-CG 3.27Å
315P40.2Very low40.9Very low119 Ų119134.4 Ų134.477%0.77370%0.698SS**  trans-83.192.1176.633.7-29.5000109.1
316L33.3Very low39.3Very low142 Ų142133.7 Ų133.774%0.74371%0.706SS**  trans-117142.8170.5-74.9171.1000113.4E314E314-L316 PolarHBondContact O-N 3.06Å; E314-L316 VanDerWaalsContact O-N 3.14Å; E314-L316 WeakPolarHBondContact OE2-CG 3.27Å
317P36.6Very low38.3Very low113 Ų113139.2 Ų139.273%0.73473%0.728SS**  trans-82.6150.7-156.233.7-34.9000112.6S319P317-S319 PolarHBondContact O-N 3.46Å
318L37.9Very low37.4Very low181 Ų181141 Ų14195%0.94874%0.744SS**  trans-44.3116.4169.5-62.7167.8000112.4
319S31.5Very low36.9Very low95 Ų95144.9 Ų144.966%0.66476%0.759SS**  trans-159.8101.1153.8175.90000111.7P317P317-S319 PolarHBondContact O-N 3.46Å
320L31.9Very low36.4Very low157 Ų157146.8 Ų146.882%0.82277%0.772SS**  trans65.6101.6141.5-59.9162.1000117.9
321R38.8Very low36.1Very low213 Ų213147.1 Ų147.180%0.80478%0.778SS**  trans-55.5150.5141.6-80.6-166.8177-170.2-0109.4D323R321-D323 IonicContact NH1-OD2 3.84Å
322P38.1Very low35.8Very low131 Ų131147.5 Ų147.585%0.85179%0.785SS**  -130.8129.5116.130.8-18.6000111.3
323D31.6Very low36Very low113 Ų113144.9 Ų144.960%0.60479%0.786SS**  trans-92.5153.9167.9-156.8-4.3000108.3R321R321-D323 IonicContact NH1-OD2 3.84Å
324I39.3Very low37Very low132 Ų132144 Ų14468%0.67779%0.787SS**  trans94.5109.8154.9-47159.7000118.7
325L30.2Very low38.2Very low175 Ų175149.1 Ų149.192%0.91680%0.801SS**  trans-120.194.5139.4-179.964.9000109.8
326S30.8Very low38.4Very low100 Ų100151 Ų15170%0.69981%0.805SS**  trans-157.480.6157.332.20000111.1
327K37Very low39.5Very low202 Ų202149 Ų14988%0.87880%0.803SS**  trans37.3101.7138.9-161.9174.1-172.2177.50118.9
328S31.9Very low39.9Very low111 Ų111147.4 Ų147.478%0.77681%0.807SS**  trans177.1106.4131.5380000108.6
329Q38.8Very low40.3Very low180 Ų180144.1 Ų144.184%0.84180%0.798SS**  59.3102.1108.7-166.8161.915.700113.3
330L38.1Very low40.8Very low167 Ų167151 Ų15187%0.87481%0.811SS**  trans177.3127.7130.4-88.3174.1000109.1
331D42.1Very low41.3Very low152 Ų152149.5 Ų149.581%0.81380%0.802SS**  trans-56.3140.7177.8-63.1-91.1000114.4
332D35.7Very low41.1Very low161 Ų161145.4 Ų145.486%0.86181%0.806SS**  175.6107.6128.5-115.7-40.7000109.5
333C44.4Very low41.3Very low124 Ų124143.7 Ų143.784%0.83880%0.797SS**  trans-110.9127.1171.8-780000110.2R335C333-R335 PolarHBondContact O-N 2.97Å
334P58Low41.7Very low124 Ų124145.6 Ų145.681%0.80580%0.803SS**  trans-79.9106.2175.632.2-29.5000109.8D336P334-D336 PolarHBondContact O-N 3.4Å
335R56.9Low41.5Very low239 Ų239145.4 Ų145.490%0.90280%0.803SS**  trans-3.8106.8144.4-155.3176.7-160.8135.90.5115.5C333C333-R335 PolarHBondContact O-N 2.97Å
336D44.5Very low41.9Very low159 Ų159142.2 Ų142.285%0.8580%0.795SS**  trans-131.5139.7150.1-166.316.6000110P334P334-D336 PolarHBondContact O-N 3.4Å
337S54.8Low42.2Very low101 Ų101143.9 Ų143.971%0.70680%0.796SS**  trans-99.9141.1-152.6-55.10000112.2
338G45Very low42.1Very low79 Ų79141.3 Ų141.381%0.81479%0.792SS**  trans-154.385.9165.600000111.2
339C46.4Very low42.3Very low112 Ų112139.1 Ų139.176%0.75779%0.787SS**  trans-72.1139.3171.8-810000111.5
340Y43.7Very low42.4Very low240 Ų240139.4 Ų139.494%0.94179%0.786SS**  trans-134.3131.8132.1-120.8-90000109.3
341I40.9Very low42.5Very low125 Ų125139.8 Ų139.864%0.64178%0.783SS**  trans-91.2143.8-169.8-48150000107.7
342S35.3Very low42.3Very low127 Ų127139.4 Ų139.489%0.88878%0.781SS**  trans-161.899.3136.7-76.30000110
343S41.7Very low42.6Very low94 Ų94138 Ų13866%0.65777%0.773SS**  trans-58.3136.4157.5-46.80000109.6
344E40.3Very low42.3Very low154 Ų154140.5 Ų140.572%0.7277%0.772SS**  79.8135.292.8-155.3-152.8156.900114.1
345N34.5Very low41.7Very low128 Ų128138.7 Ų138.768%0.68476%0.762SS**  trans76.4142165.4-37.490.4000115.5
346S40.3Very low40.8Very low108 Ų108135.4 Ų135.476%0.75576%0.757SS**  cis-171.1162.814.8-159.20000109.5
347D35.3Very low40.5Very low134 Ų134133.9 Ų133.972%0.71775%0.749SS**  trans81.2130.9137-149.620.3000122.5
348N35.5Very low39.6Very low149 Ų149136.3 Ų136.380%0.79775%0.753SS**  trans32.1127.4155.2-89.4-20.4000123.4
349G36.2Very low40.2Very low65 Ų65137.6 Ų137.667%0.6775%0.747SS**  95.3112.4109.800000119.6
350K41.3Very low39.9Very low185 Ų185138.9 Ų138.980%0.80475%0.747SS**  trans76123.5146.5-57.7-166.2177.3-178.30118.3
351E39.8Very low39.6Very low175 Ų175134.9 Ų134.982%0.81874%0.738SS**  87.7138.8116.582.1-155.4-178.400111.5
352D37.4Very low39.7Very low144 Ų144135.4 Ų135.477%0.7775%0.747SS**  cis-167.9168.6-5.8-159.8-10.1000104.9
353L42.7Very low40.1Very low133 Ų133138.7 Ų138.770%0.69675%0.749SS**  trans85.8123.5161.8-51.7177.1000121.8
354E37.6Very low40.2Very low175 Ų175144 Ų14482%0.81876%0.76SS**  trans65.6128.8135.4-80.1-168.5134.800118.8
355S46.4Very low40.3Very low86 Ų86145.5 Ų145.560%0.60177%0.769SS**  cis-162.8138.710.8-77.70000110.4
356E37.4Very low40.5Very low170 Ų170143.6 Ų143.679%0.79477%0.771SS**  35122.5129.6-52.9-167.9125.300121.9
357N37.3Very low40.7Very low128 Ų128145.5 Ų145.568%0.68477%0.771SS**  137.688.6124.7-93.7-78.6000110
358L37.5Very low41Very low151 Ų151146 Ų14679%0.79177%0.774SS**  101.6125.181.7-97-176.6000110.4
359P56.1Low41.5Very low106 Ų106147.2 Ų147.269%0.68878%0.775SS**  trans-103.8174.6-172.642.4-33.8000111.6
360D40.8Very low42.5Very low140 Ų140148.6 Ų148.675%0.74977%0.772SS**  trans175.2148.9140.4-120.223.8000110.2
361M37.5Very low42.9Very low155 Ų155144.7 Ų144.776%0.76477%0.768SS**  cis-168.8130.2-26172.1166.557.300104.7
362V42.4Very low43.3Very low136 Ų136146.4 Ų146.482%0.82479%0.79SS**  trans-74.2124.6179.9-159.70000108.3K364V362-K364 PolarHBondContact O-N 3.23Å
363Q44.3Very low43.6Very low197 Ų197146.5 Ų146.592%0.92179%0.791SS**  trans-59.6118.8168.4-97.2168.4-14.900109.7
364K43.7Very low43.6Very low204 Ų204147.2 Ų147.289%0.88780%0.796SS**  trans-132.6128.9167.7-144.3-180-175.3-169.10110.4V362V362-K364 PolarHBondContact O-N 3.23Å
365M42Very low44Very low186 Ų186145.7 Ų145.792%0.91680%0.795SS**  trans-73.2142.5-179.2-54.3166178.300111.3
366A38.4Very low43.8Very low88 Ų88149.2 Ų149.273%0.72781%0.806SS**  trans-168.1109.7153.200000107.8
367I46.1Very low44.2Very low149 Ų149147.9 Ų147.976%0.76481%0.807SS**  82.5124.483.7-69.4168.4000113.7
368N41.4Very low44.7Very low144 Ų144149.2 Ų149.277%0.7782%0.815SS**  trans84.4120152.9-71.20.8000122.5
369E45.9Very low45.2Very low174 Ų174149.1 Ų149.181%0.81382%0.817SS**  20.3159.8118.5-104.7-146.713400119.6
370P57.4Low44.4Very low95 Ų95152.4 Ų152.462%0.61783%0.827SS**  cis-139.7178.115.433.6-10.5000116.5
371S49.3Very low44.7Very low103 Ų103153.4 Ų153.472%0.7283%0.833SS**  trans25.5137.9151.574.60000120.5
372V47.8Very low45.3Very low210 Ų210153.3 Ų153.3100%1.27384%0.839SS**  cis-149.9045.3167.90000110

Retrieved 372 of 372 residues in 159.4 ms (Link to these results)