A0A087YNQ6_POEFO Loading...

Forkhead box O3b

AlphaFold DB , UniProt , Accession A0A087YNQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 664 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
1M46.4Very low49.6Very low252 Ų252141.3 Ų141.3100%1.24183%0.832SS**  0140.20-74.9170.8162.200107.6
2A48.7Very low49.1Very low107 Ų107142.3 Ų142.388%0.88483%0.831SS**  cis-105.8-179.3-0.600000112.5
3E43.9Very low49Very low142 Ų142143.5 Ų143.566%0.66483%0.83SS**  trans-123.8168-169.8-167.5-178117.900109.8S279E3-S279 PolarHBondContact OE1-OG 3.13Å; E3-S279 PolarHBondContact OE2-OG 3.07Å
4A48.2Very low48.8Very low88 Ų88144 Ų14473%0.72783%0.829SS**  trans81.5158.1164.200000118.8
5P49.2Very low48.9Very low123 Ų123141.9 Ų141.980%0.79982%0.819SS**  cis-119.2168.9-6.738.8-25.2000114.6
6L56.8Low48.8Very low156 Ų156141.2 Ų141.282%0.81782%0.817SS**PPolyproline II helixtrans-82.4159.4158.3-76.4164.4000109.8
7P52.5Low49.5Very low121 Ų121141.4 Ų141.479%0.78681%0.813SS**PPolyproline II helixtrans-68150.6167.430.7-34.9000111.3
8D47.6Very low50.1Low163 Ų163138.1 Ų138.187%0.87279%0.792SS**PPolyproline II helixtrans-69.8148.4-179.1-67-61.5000112.5
9T45.3Very low50.7Low136 Ų136137.3 Ų137.383%0.83479%0.792SS**PPolyproline II helixtrans-72.9144171.245.10000111.3
10L57.2Low50.8Low159 Ų159137.9 Ų137.983%0.83279%0.793SS**PPolyproline II helixtrans-59151.4167.8-62.5174.2000110.7
11P50.2Low50.8Low107 Ų107139 Ų13970%0.69579%0.789SS**PPolyproline II helixtrans-68.7138.6168.330.2-33.6000110.2L13P11-L13 PolarHBondContact O-N 3.48Å
12D43.3Very low51.8Low153 Ų153133.3 Ų133.382%0.81876%0.759SS**PPolyproline II helixtrans-60.5129165.4-80.6-56.1000109.6D14D12-D14 VanDerWaalsContact C-N 3.32Å; D12-D14 PolarHBondContact O-N 2.89Å; D12-D14 VanDerWaalsContact O-N 3.14Å
13L47.8Very low52.1Low158 Ų158133.4 Ų133.483%0.82775%0.751SS**  trans-80.987.8164.5-71.6175.9000107.7P11 V15P11-L13 PolarHBondContact O-N 3.48Å; L13-V15 PolarHBondContact O-N 2.79Å
14D46.8Very low52.8Low151 Ų151135.2 Ų135.281%0.80776%0.759SS**  trans-58.485.3159.8-96.2-36000108.5D12 V16D12-D14 VanDerWaalsContact C-N 3.32Å; D12-D14 PolarHBondContact O-N 2.89Å; D12-D14 VanDerWaalsContact O-N 3.14Å; D14-V16 PolarHBondContact O-N 3.46Å
15V50Low53.2Low112 Ų112138.5 Ų138.568%0.67976%0.757SS**  trans-65.5103.8167.3176.90000105.8L13 I17L13-V15 PolarHBondContact O-N 2.79Å; V15-I17 HydrophobicContact CG1-CG1 4.46Å; V15-I17 PolarHBondContact O-N 3.01Å
16V47.3Very low53.5Low131 Ų131143 Ų14379%0.79476%0.758SS**  trans-62.492.5170.7179.60000107.5D14 D18D14-V16 PolarHBondContact O-N 3.46Å; V16-D18 PolarHBondContact O-N 3.12Å; V16-D18 VanDerWaalsContact O-N 3.09Å
17I59.7Low53.2Low144 Ų144140 Ų14074%0.73875%0.748SS**  trans-66.4108.6170.8-62.4174.8000106V15 P19V15-I17 HydrophobicContact CG1-CG1 4.46Å; V15-I17 PolarHBondContact O-N 3.01Å; I17-P19 WeakPolarHBondContact O-CD 3.44Å
18D60.9Low53.2Low82 Ų82145.3 Ų145.344%0.43975%0.752SS.*  trans-53.8116.6175.3178.4-0.3000109.6V16 D20 F21V16-D18 PolarHBondContact O-N 3.12Å; V16-D18 VanDerWaalsContact O-N 3.09Å; D18-D20 PolarHBondContact O-N 3.43Å; D18-D20 PolarHBondContact OD1-N 3.23Å; D18-D20 VanDerWaalsContact OD1-N 3.13Å; D18-F21 HydrophobicContact CB-CB 4.23Å; D18-F21 WeakPolarHBondContact O-CB 2.99Å; D18-F21 PolarHBondContact O-N 3.5Å; D18-F21 VanDerWaalsContact O-N 3.08Å
19P61.2Low53.5Low123 Ų123141 Ų14180%0.79974%0.735SS**THydrogen-bonded Turntrans-67.4-17.5-174.327.8-35.5000113.5I17 F21I17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-F21 VanDerWaalsContact C-N 3.35Å
20D52.3Low53.7Low150 Ų150139.5 Ų139.580%0.80273%0.729SS**THydrogen-bonded Turntrans-86.2-4.2175.4-79.9-17.2000113D18 E22D18-D20 PolarHBondContact O-N 3.43Å; D18-D20 PolarHBondContact OD1-N 3.23Å; D18-D20 VanDerWaalsContact OD1-N 3.13Å; D20-E22 VanDerWaalsContact C-N 3.25Å; D20-E22 PolarHBondContact O-N 3.4Å
21F51.4Low53.7Low162 Ų162137 Ų13771%0.71172%0.721SS**  trans-79.965.8-179.7-134.3-82.4000112.6D18 P19D18-F21 HydrophobicContact CB-CB 4.23Å; D18-F21 WeakPolarHBondContact O-CB 2.99Å; D18-F21 PolarHBondContact O-N 3.5Å; D18-F21 VanDerWaalsContact O-N 3.08Å; P19-F21 VanDerWaalsContact C-N 3.35Å
22E67.4Low53.8Low131 Ų131141.6 Ų141.661%0.61272%0.724SS**  trans-55.2125.5-179.6-163.8-165.1-159.700110.8D20 Q24 K25D20-E22 VanDerWaalsContact C-N 3.25Å; D20-E22 PolarHBondContact O-N 3.4Å; E22-Q24 PolarHBondContact O-N 3Å; E22-K25 IonicContact OE1-NZ 2.86Å; E22-K25 PolarHBondContact OE1-NZ 3.44Å; E22-K25 IonicContact OE2-NZ 2.66Å; E22-K25 PolarHBondContact OE2-NZ 3.08Å
23P55.6Low54.5Low110 Ų110139.9 Ų139.971%0.71472%0.722SS**  trans-62.4110.6-174.822.5-33.8000111.5K25P23-K25 PolarHBondContact O-N 3.1Å; P23-K25 VanDerWaalsContact O-N 3.09Å
24Q59Low54.5Low179 Ų179137.1 Ų137.184%0.83671%0.707SS**  trans-49.6116.7-176.1-88.4-170.6-14.500112.1E22 R26E22-Q24 PolarHBondContact O-N 3Å; Q24-R26 VanDerWaalsContact C-N 3.31Å; Q24-R26 PolarHBondContact O-N 2.88Å
25K56.4Low54.5Low158 Ų158135.5 Ų135.569%0.68771%0.705SS**  trans-7280.7-177-58-176.3-175.179.90110.5E22 P23E22-K25 IonicContact OE1-NZ 2.86Å; E22-K25 PolarHBondContact OE1-NZ 3.44Å; E22-K25 IonicContact OE2-NZ 2.66Å; E22-K25 PolarHBondContact OE2-NZ 3.08Å; P23-K25 PolarHBondContact O-N 3.1Å; P23-K25 VanDerWaalsContact O-N 3.09Å
26R55.6Low54.5Low216 Ų216141.2 Ų141.282%0.81571%0.714SS**  trans-51.9139.6177.7-67.3-176.2179.5-178.8-0.1110.9Q24Q24-R26 VanDerWaalsContact C-N 3.31Å; Q24-R26 PolarHBondContact O-N 2.88Å
27P50.4Low54.7Low95 Ų95140.5 Ų140.562%0.61771%0.712SS**  trans-61.1140-176.824.2-33.9000111.8S29P27-S29 PolarHBondContact O-N 3.13Å
28R51.8Low53.7Low231 Ų231141.1 Ų141.187%0.87272%0.717SS**THydrogen-bonded Turntrans-76.719.4-168.5-51.2-174.882.2152.15.8114.5
29S53.2Low52.6Low72 Ų72143.2 Ų143.250%0.50374%0.738SS.*THydrogen-bonded Turntrans-85.2-21.2172.547.80000113.1P27 T31P27-S29 PolarHBondContact O-N 3.13Å; S29-T31 VanDerWaalsContact C-N 3.31Å; S29-T31 PolarHBondContact O-N 3.22Å
30C51.2Low51.4Low106 Ų106142.3 Ų142.372%0.71674%0.735SS**SBendtrans-88.217.1-176.6-62.70000114.5
31T55.6Low50.5Low107 Ų107140 Ų14066%0.65674%0.736SS**SBendtrans-124.4104.4176-51.70000109.9S29S29-T31 VanDerWaalsContact C-N 3.31Å; S29-T31 PolarHBondContact O-N 3.22Å
32W52.3Low49.6Very low203 Ų203138.5 Ų138.577%0.76974%0.74SS**SBendtrans-91.8145.2177-78.984.9000111.6L34W32-L34 HydrophobicContact CH2-CD1 4.43Å
33P58.4Low48Very low117 Ų117139.8 Ų139.876%0.7674%0.744SS**SBendcis-89.6149.5-1.2-3.123.5000113.3
34L47.1Very low47.7Very low100 Ų100140 Ų14052%0.52475%0.745SS.*PPolyproline II helixtrans-69.3139.9174.3-73.3154.1000111.9W32W32-L34 HydrophobicContact CH2-CD1 4.43Å
35P47.8Very low46.1Very low117 Ų117137.7 Ų137.776%0.7674%0.735SS**PPolyproline II helixtrans-70.6153.6172.730.9-34.8000111.4
36R49.8Very low45.1Very low231 Ų231135 Ų13587%0.87274%0.736SS**PPolyproline II helixtrans-80.2139.8171.9-64.6-179.8-178.4170.60109.9
37P50.6Low43.9Very low117 Ų117130.3 Ų130.376%0.7673%0.731SS**PPolyproline II helixtrans-76.2126.7165.330.8-31.3000109.9
38D39.8Very low43.2Very low157 Ų157134.5 Ų134.584%0.8474%0.742SS**PPolyproline II helixtrans-76.3134165.6-70.9-54.3000109.5
39S36.8Very low42.4Very low125 Ų125127.2 Ų127.287%0.87473%0.732SS**  trans-104.994.6-173.5-59.90000111.7
40S36.9Very low41.4Very low105 Ų105130.8 Ų130.873%0.73475%0.745SS**  trans-140.3128.7169.356.80000112.1
41A33.1Very low40.5Very low101 Ų101132.2 Ų132.284%0.83574%0.744SS**  trans64.1154.5176.300000116.6
42V32.9Very low39.3Very low131 Ų131134 Ų13479%0.79475%0.748SS**  cis-154.5157.2-21.6125.70000107.5
43K34.3Very low39.2Very low157 Ų157129.4 Ų129.468%0.68375%0.745SS**  trans-86130.3-178.1-168.7-161.8179.6-143.30113E45K43-E45 VanDerWaalsContact CD-OE1 3.23Å; K43-E45 WeakPolarHBondContact CD-OE1 3.48Å; K43-E45 WeakPolarHBondContact CE-OE1 3.42Å; K43-E45 WeakPolarHBondContact CG-OE1 3.23Å; K43-E45 IonicContact NZ-OE1 2.89Å; K43-E45 PolarHBondContact NZ-OE1 3.09Å; K43-E45 IonicContact NZ-OE2 2.95Å; K43-E45 PolarHBondContact NZ-OE2 2.79Å
44P48.2Very low38Very low115 Ų115132.1 Ų132.175%0.74775%0.747SS**  trans-151.3169.3131.238.9-23.4000115.6
45E26.3Very low37.4Very low131 Ų131136.6 Ų136.661%0.61277%0.766SS**  cis-154.3-58.9-44.5-158.862.1700115.5K43K43-E45 VanDerWaalsContact CD-OE1 3.23Å; K43-E45 WeakPolarHBondContact CD-OE1 3.48Å; K43-E45 WeakPolarHBondContact CE-OE1 3.42Å; K43-E45 WeakPolarHBondContact CG-OE1 3.23Å; K43-E45 IonicContact NZ-OE1 2.89Å; K43-E45 PolarHBondContact NZ-OE1 3.09Å; K43-E45 IonicContact NZ-OE2 2.95Å; K43-E45 PolarHBondContact NZ-OE2 2.79Å
46S34.8Very low36.7Very low101 Ų101139.9 Ų139.971%0.70677%0.771SS**  trans-155.5-176.7-163.571.50000118
47T30.5Very low36Very low118 Ų118136.6 Ų136.672%0.72477%0.771SS**  trans86133.1159.1-53.10000114.8
48E35.1Very low35.4Very low182 Ų182138.6 Ų138.685%0.8578%0.775SS**  cis164.3167.40.7176.1176.2-153.800104.5
49A36.8Very low35.7Very low79 Ų79139.5 Ų139.565%0.65377%0.774SS**  -157.2169.2-52.500000108.4
50D31.6Very low35.8Very low146 Ų146142.7 Ų142.778%0.78178%0.775SS**  trans-175.9110.6155.2-95-25.2000108.3
51I31.7Very low35.5Very low136 Ų136144.5 Ų144.570%0.69778%0.777SS**  68.9101.695.9-63.6174.7000112.7
52I31.5Very low35.4Very low144 Ų144144.1 Ų144.174%0.73877%0.768SS**  76.7141.751-57.2164.8000112
53P49.2Very low35.3Very low108 Ų108142 Ų14270%0.70176%0.764SS**  cis-89.7-135.2-6.49.411.6000112.5
54E33.5Very low35.2Very low173 Ų173140.7 Ų140.781%0.80877%0.77SS**  cis-154.1158.68.8-60.6168.713300107.1
55E33.4Very low35.2Very low194 Ų194141 Ų14191%0.90777%0.771SS**  cis-127.1-159.21.5-62.3178.5-84.300110.2
56E34.5Very low35.5Very low187 Ų187141.2 Ų141.287%0.87478%0.782SS**  trans-137.6-176.9-172-63.5-173.411800116.1
57D33.8Very low35.2Very low162 Ų162141.4 Ų141.487%0.86679%0.789SS**  trans82.9118.3169.1-63.6-11.3000120.7
58D39.1Very low35.3Very low159 Ų159143.6 Ų143.685%0.8580%0.795SS**  trans-125.7-104.2164.4-167.547.9000111.1
59E46Very low34.9Very low175 Ų175141 Ų14182%0.81879%0.792SS**  cis-148154.6-12.9-81.8-164.7107.100107.2
60E38.3Very low34.6Very low192 Ų192143.4 Ų143.490%0.89780%0.798SS**  trans174141.6148.7-98.6-169.4170.400110.8
61D31.3Very low34.6Very low143 Ų143143.8 Ų143.877%0.76580%0.8SS**  cis-157.4164.7-18.5-170.827.7000111.8
62S30Very low34.4Very low94 Ų94141.1 Ų141.166%0.65781%0.806SS**  trans-27.3158.6156.3-174.50000118.6
63A31.1Very low34.4Very low86 Ų86140 Ų14071%0.71181%0.811SS**  cis-170.6-171-2400000110.8
64T33.2Very low33.4Very low130 Ų130139.6 Ų139.680%0.79882%0.816SS**  trans-73.9176.2171.966.70000111.9
65P47.8Very low33.2Very low120 Ų120136 Ų13678%0.77982%0.817SS**  cis-149.8-163.926.344.5-20.9000118.8
66T33.1Very low33.1Very low137 Ų137131.1 Ų131.184%0.8481%0.809SS**  trans-68146.9-172.152.80000117.7
67A28.6Very low33Very low104 Ų104127.5 Ų127.586%0.8680%0.8SS**  trans-155.2152.3143.500000113.3
68I31.3Very low33Very low164 Ų164128.4 Ų128.484%0.84180%0.799SS**  trans-91.1147.3-176.4-57.6151.8000110.5
69T27.3Very low32.6Very low129 Ų129127 Ų12779%0.79179%0.792SS**  trans175.6125.8140.6-82.40000115.7
70V30.9Very low32.2Very low128 Ų128126.4 Ų126.478%0.77679%0.789SS**  trans49.3136.2147.2179.10000123.6
71N30.9Very low31.7Very low155 Ų155122.8 Ų122.883%0.82979%0.785SS**  trans-22.8143.2165.8-52.5-6.3000120.5
72G28.4Very low31.7Very low79 Ų79121.4 Ų121.481%0.81479%0.787SS**  trans-141.3154.4151.500000110
73S30Very low31.7Very low121 Ų121124.1 Ų124.185%0.84679%0.794SS**  trans-120.2155.4-166.1-57.70000115.7
74A29.2Very low31.8Very low99 Ų99125.2 Ų125.282%0.81880%0.796SS**  trans104.5137.9139.600000121.6
75A29.2Very low32.3Very low99 Ų99124.4 Ų124.482%0.81879%0.793SS**  trans95.5145.8143.600000121.2
76A31.6Very low31.6Very low90 Ų90124.9 Ų124.974%0.74479%0.793SS**  trans60124.5172.900000117.5
77T31.9Very low31.7Very low112 Ų112124.7 Ų124.769%0.68779%0.792SS**  cis132.3116.80.644.40000108.7
78E34.3Very low31.8Very low181 Ų181127.9 Ų127.985%0.84680%0.795SS**  trans72.7151.3145.6-63.2162.1-177.800118.4
79D30.7Very low31.7Very low129 Ų129123.5 Ų123.569%0.6979%0.79SS**  cis-138.1-177.37.9-160.512.3000113.9
80Q37.6Very low31.8Very low162 Ų162121.7 Ų121.776%0.75779%0.788SS**  trans-95.2179.2-158.4-55.2151.983.300114.6
81S28.2Very low31.9Very low116 Ų116125 Ų12581%0.81179%0.793SS**  -170130.788.8-70.80000113.8
82S29.6Very low32.5Very low115 Ų115123.8 Ų123.880%0.80479%0.793SS**  trans-166.4139.7145.353.60000114.8
83N31.4Very low32.6Very low151 Ų151125 Ų12581%0.80779%0.789SS**  trans63.1114.6153.5-72.78.8000124.4
84S32.5Very low33.4Very low109 Ų109125.6 Ų125.676%0.76279%0.79SS**  95.7150126.5-62.80000121.3
85P44.3Very low33.4Very low113 Ų113124.2 Ų124.273%0.73479%0.786SS**  trans-118120.1-159.1212.9000116.7
86V33.3Very low33.5Very low129 Ų129128.6 Ų128.678%0.78279%0.789SS**  trans42.8141.9134.1-84.70000126.2
87T34.7Very low33.5Very low133 Ų133131.1 Ų131.182%0.81679%0.79SS**  trans90118.9138.742.10000123.7
88D30.1Very low33.5Very low171 Ų171130.9 Ų130.991%0.91479%0.793SS**  trans-100.6163.9148.2-106.9-52.2000109.7
89G30Very low33.4Very low72 Ų72126 Ų12674%0.74279%0.791SS**  trans157.194.8159.300000121.8
90A29.7Very low33.3Very low91 Ų91123.8 Ų123.875%0.75280%0.799SS**  trans62.1118.8140.900000124.9
91F32.7Very low33.2Very low199 Ų199121.8 Ų121.887%0.87380%0.802SS**  trans20145.3130.4-60.7-69.5000122.3
92P42.9Very low34.3Very low128 Ų128121.9 Ų121.983%0.83180%0.801SS**  -147.2-172.152.441.4-20.5000118.5
93S30.3Very low34.6Very low104 Ų104124 Ų12473%0.72780%0.802SS**  trans-95-172178.8-40.60000112.7
94P46.8Very low34.6Very low134 Ų134120.8 Ų120.887%0.8779%0.791SS**  cis-141.6-178.7-044.2-25.9000117.7
95G29.4Very low34.5Very low71 Ų71120.6 Ų120.673%0.73279%0.786SS**  trans136.7132.2147.200000119.9
96H32.3Very low34Very low191 Ų191123 Ų12388%0.88479%0.787SS**  trans11.2123163.7-66.1129.3000119.7
97D29.9Very low33.8Very low142 Ų142121.8 Ų121.876%0.75978%0.784SS**  cis66132.212.1-155.3-126.8000115.5
98S33.8Very low34.2Very low108 Ų108121.4 Ų121.476%0.75578%0.783SS**  cis-155.8174.38.8-145.10000114.3
99G30.6Very low34.3Very low79 Ų79119 Ų11981%0.81478%0.78SS**  trans149.3126.6156.100000119.3
100G29.8Very low34.3Very low82 Ų82120.2 Ų120.285%0.84578%0.783SS**  trans139.3101.9159.700000118.6
101S35.3Very low34.7Very low119 Ų119122.3 Ų122.383%0.83279%0.787SS**  trans-90.4171.5169.9-38.90000111.8
102P50.3Low34.7Very low119 Ų119118.6 Ų118.677%0.77379%0.786SS**  -122.8150.551.73.822.5000115.1
103L35.6Very low34.1Very low160 Ų160116.2 Ų116.284%0.83878%0.784SS**  77.8130.369.5-157.675.9000112.8
104S33.2Very low34.2Very low83 Ų83115.6 Ų115.658%0.5879%0.786SS**  cis-153.9137.10-116.10000109
105T30.5Very low33.7Very low105 Ų105116.8 Ų116.864%0.64478%0.784SS**  64.5144.882.568.30000119
106H33.1Very low34Very low164 Ų164119.7 Ų119.776%0.75979%0.788SS**  trans99.188.1161.8-50.3-60.9000121.6
107S28.9Very low34.3Very low102 Ų102116.9 Ų116.971%0.71379%0.786SS**  -10168118.662.20000119.8
108P43.9Very low34.6Very low125 Ų125115.6 Ų115.681%0.81279%0.789SS**  cis-139.3-16914.940.6-20000116.4
109S30.3Very low35.1Very low120 Ų120114.4 Ų114.484%0.83979%0.793SS**  trans-70147.1177178.40000115.1
110A31.5Very low35.4Very low99 Ų99119.3 Ų119.382%0.81880%0.8SS**  trans-147.9154.1157.300000110.8
111T37.6Very low36.1Very low134 Ų134120.2 Ų120.282%0.82280%0.799SS**  trans-89.9132.9-169.7173.60000114.4
112S31.8Very low36.4Very low121 Ų121118.6 Ų118.685%0.84679%0.793SS**  trans168.8157.7138.1-79.60000111.8
113G31.9Very low36.4Very low78 Ų78118 Ų11880%0.80480%0.799SS**  trans114.3104.1157.500000116.9
114A32Very low36.8Very low92 Ų92118.6 Ų118.676%0.7680%0.797SS**  trans-53.5179.4178.400000118.9
115L35.2Very low37.3Very low158 Ų158119.8 Ų119.883%0.82780%0.801SS**  trans89.995160.2-48.9-178.7000118.4
116T36.4Very low37.9Very low133 Ų133120.8 Ų120.882%0.81681%0.809SS**  176.3128.2124.525.60000111.4
117P39.3Very low38.5Very low132 Ų132123.2 Ų123.286%0.85781%0.812SS**  trans-107.389.417336.1-27.5000112.1
118S36.5Very low39.3Very low115 Ų115128.2 Ų128.280%0.80482%0.821SS**  trans-134.3108.5175.9-78.40000113.5
119G44.4Very low39.6Very low83 Ų83127.3 Ų127.386%0.85682%0.824SS**  trans49.380.914400000119.9
120L36.9Very low41Very low181 Ų181126.7 Ų126.795%0.94882%0.819SS**  trans-122.6120.4149.3-94.6166.2000109.6A122L120-A122 PolarHBondContact O-N 2.98Å
121A42.4Very low42.2Very low101 Ų101126.5 Ų126.584%0.83581%0.812SS**  trans-80105.2-174.800000110.9A123A121-A123 PolarHBondContact O-N 3.14Å
122A41.7Very low43Very low86 Ų86130.9 Ų130.971%0.71181%0.813SS**  trans-64.5114.7165.100000109L120 Q124L120-A122 PolarHBondContact O-N 2.98Å; A122-Q124 VanDerWaalsContact C-N 3.29Å; A122-Q124 PolarHBondContact O-N 3.14Å
123A51Low44.8Very low107 Ų107134.2 Ų134.288%0.88481%0.808SS**  trans-69.880.4-177.500000111.7A121A121-A123 PolarHBondContact O-N 3.14Å
124Q45.3Very low47.3Very low172 Ų172133.7 Ų133.780%0.80479%0.786SS**  trans-77.9130.8165-64.1-166.918.200109.3A122A122-Q124 VanDerWaalsContact C-N 3.29Å; A122-Q124 PolarHBondContact O-N 3.14Å
125T42.3Very low49.7Very low108 Ų108132.5 Ų132.566%0.66378%0.777SS**  trans-50.9145.6173.652.70000111R127T125-R127 PolarHBondContact O-N 2.66Å
126P43.1Very low52.1Low126 Ų126127.1 Ų127.182%0.81875%0.745SS**  trans-70.977.8178.529.5-35.1000111.2K128P126-K128 PolarHBondContact O-N 2.86Å
127R46.9Very low54.6Low215 Ų215121.9 Ų121.981%0.81172%0.717SS**  trans-45.1121.3153.4-66.4-80.7-167.8155.13.2106T125 A129T125-R127 PolarHBondContact O-N 2.66Å; R127-A129 PolarHBondContact O-N 2.87Å
128K45.7Very low57Low207 Ų207121.3 Ų121.390%0.971%0.707SS**  trans-57.791.4-169.2-68.7178.2178.1177.60111.4P126 S130P126-K128 PolarHBondContact O-N 2.86Å; K128-S130 PolarHBondContact O-N 2.63Å
129A48.9Very low59.7Low106 Ų106118.4 Ų118.488%0.87668%0.682SS**  trans-8353-173.800000111.8R127R127-A129 PolarHBondContact O-N 2.87Å
130S60.2Low62Low106 Ų106116.9 Ų116.974%0.74166%0.659SS**  trans-136.3153178.4-173.90000109.8K128K128-S130 PolarHBondContact O-N 2.63Å
131S55.8Low64.8Low96 Ų96110.3 Ų110.367%0.67162%0.622SS**SBendtrans6498.1-173.1-158.60000114.2
132R55.1Low67.3Low225 Ų225105.9 Ų105.985%0.84959%0.585SS**  cis-142.8125.9-2.3-53.4178.5-169.1-161.53.4108
133R70.8Confident69.9Low192 Ų192104.7 Ų104.773%0.72557%0.567SS**  trans-88134.7165-70170.466.1-177.1-7.5107N138R133-N138 WeakPolarHBondContact CG-OD1 3.3Å; R133-N138 PolarHBondContact NE-OD1 2.72Å
134N82.7Confident72Confident66 Ų6699.9 Ų99.935%0.35353%0.526SS..BIsolated β-bridgetrans-67.1159177-60.6-41.3000109.2W136 G137 L139N134-W136 HydrophobicContact CB-CD2 3.73Å; N134-W136 HydrophobicContact CB-CE3 4.3Å; N134-W136 HydrophobicContact CB-CG 4.06Å; N134-W136 HydrophobicContact CB-CH2 4.28Å; N134-W136 HydrophobicContact CB-CZ2 3.71Å; N134-W136 PolarHBondContact ND2-NE1 3.27Å; N134-W136 PolarHBondContact O-N 2.76Å; N134-W136 VanDerWaalsContact O-N 3.09Å; N134-G137 WeakPolarHBondContact CB-O 3.22Å; N134-G137 PolarHBondContact N-O 2.98Å; N134-G137 WeakPolarHBondContact O-CA 3.49Å; N134-G137 PolarHBondContact O-N 3.37Å; N134-L139 PolarHBondContact ND2-O 2.82Å; N134-L139 VanDerWaalsContact ND2-O 3.08Å
135A82.1Confident74.4Confident68 Ų6891.7 Ų91.756%0.56249%0.488SS*.THydrogen-bonded Turntrans-63.4-17.2177.500000113.2Y172A135-Y172 HydrophobicContact CB-CD1 4.34Å; A135-Y172 HydrophobicContact CB-CD2 3.29Å; A135-Y172 HydrophobicContact CB-CE1 4.38Å; A135-Y172 HydrophobicContact CB-CE2 3.34Å; A135-Y172 HydrophobicContact CB-CG 3.82Å
136W86.4Confident77Confident45 Ų4587.5 Ų87.517%0.1746%0.462CS..THydrogen-bonded Turntrans-98.315.9170.355.482.3000114N134 L139 Y141 L144 I170 Y172 F173N134-W136 HydrophobicContact CB-CD2 3.73Å; N134-W136 HydrophobicContact CB-CE3 4.3Å; N134-W136 HydrophobicContact CB-CG 4.06Å; N134-W136 HydrophobicContact CB-CH2 4.28Å; N134-W136 HydrophobicContact CB-CZ2 3.71Å; N134-W136 PolarHBondContact ND2-NE1 3.27Å; N134-W136 PolarHBondContact O-N 2.76Å; N134-W136 VanDerWaalsContact O-N 3.09Å; W136-L139 PolarHBondContact NE1-O 3.09Å; W136-Y141 AromaticContact CH2-CE1 3.98Å; W136-Y141 HydrophobicContact CH2-CE1 3.98Å; W136-Y141 HydrophobicContact CH2-CE2 4.02Å; W136-Y141 AromaticContact CH2-CZ 3.46Å; W136-Y141 VanDerWaalsContact CH2-CZ 3.46Å; W136-Y141 WeakPolarHBondContact CH2-OH 3.46Å; W136-Y141 HydrophobicContact CZ2-CD1 4.32Å; W136-Y141 HydrophobicContact CZ2-CD2 4.38Å; W136-Y141 AromaticContact CZ2-CE1 3.76Å; W136-Y141 HydrophobicContact CZ2-CE1 3.76Å; W136-Y141 AromaticContact CZ2-CE2 3.81Å; W136-Y141 HydrophobicContact CZ2-CE2 3.81Å; W136-Y141 AromaticContact CZ2-CZ 3.5Å; W136-Y141 VanDerWaalsContact CZ2-CZ 3.5Å; W136-L144 HydrophobicContact CG-CD1 4.2Å; W136-I170 HydrophobicContact CB-CG2 3.38Å; W136-I170 HydrophobicContact CG-CG2 4.34Å; W136-Y172 AromaticContact CE3-CD1 3.52Å; W136-Y172 HydrophobicContact CE3-CD1 3.52Å; W136-Y172 AromaticContact CE3-CE1 3.88Å; W136-Y172 HydrophobicContact CE3-CE1 3.88Å; W136-Y172 HydrophobicContact CE3-CG 4.19Å; W136-Y172 AromaticContact CZ3-CD1 3.82Å; W136-Y172 HydrophobicContact CZ3-CD1 3.82Å; W136-Y172 AromaticContact CZ3-CE1 3.68Å; W136-Y172 HydrophobicContact CZ3-CE1 3.68Å; W136-F173 AromaticContact CD2-CE2 3.96Å; W136-F173 HydrophobicContact CD2-CE2 3.96Å; W136-F173 HydrophobicContact CD2-CZ 4.13Å; W136-F173 HydrophobicContact CE3-CE1 4.42Å; W136-F173 AromaticContact CE3-CE2 3.69Å; W136-F173 HydrophobicContact CE3-CE2 3.69Å; W136-F173 AromaticContact CE3-CZ 3.52Å; W136-F173 HydrophobicContact CE3-CZ 3.52Å; W136-F173 HydrophobicContact CG-CE2 4.49Å; W136-F173 AromaticContact CH2-CZ 3.93Å; W136-F173 HydrophobicContact CH2-CZ 3.93Å; W136-F173 HydrophobicContact CZ2-CZ 4.47Å; W136-F173 HydrophobicContact CZ3-CE1 4.15Å; W136-F173 HydrophobicContact CZ3-CE2 4.08Å; W136-F173 AromaticContact CZ3-CZ 3.42Å; W136-F173 HydrophobicContact CZ3-CZ 3.42Å; W136-F173 VanDerWaalsContact CZ3-CZ 3.42Å
137G89.8Confident79.5Confident22 Ų2286.3 Ų86.323%0.22744%0.444CS..BIsolated β-bridgetrans95.4-146.9175.900000114.9N134N134-G137 WeakPolarHBondContact CB-O 3.22Å; N134-G137 PolarHBondContact N-O 2.98Å; N134-G137 WeakPolarHBondContact O-CA 3.49Å; N134-G137 PolarHBondContact O-N 3.37Å
138N90Very high81.9Confident121 Ų12176 Ų7665%0.64741%0.405SS*.SBendtrans-89.3-0.4-169.3-58.6-15.7000114R133R133-N138 WeakPolarHBondContact CG-OD1 3.3Å; R133-N138 PolarHBondContact NE-OD1 2.72Å
139L91.4Very high84.3Confident53 Ų5366.2 Ų66.228%0.27736%0.362SS..  trans-84.3134.4-175-63171000110.9N134 W136 D143 L144 K147N134-L139 PolarHBondContact ND2-O 2.82Å; N134-L139 VanDerWaalsContact ND2-O 3.08Å; W136-L139 PolarHBondContact NE1-O 3.09Å; L139-D143 HydrophobicContact CB-CB 4.24Å; L139-D143 HydrophobicContact CD2-CB 3.97Å; L139-L144 HydrophobicContact CB-CD2 3.85Å; L139-L144 HydrophobicContact CB-CG 4.06Å; L139-L144 HydrophobicContact CD1-CD2 3.68Å; L139-L144 HydrophobicContact CG-CD2 4.41Å; L139-K147 HydrophobicContact CD1-CD 4.35Å
140S94.1Very high86.6Confident52 Ų5264.7 Ų64.736%0.36434%0.337SS..  trans-71.5159.1167.4-174.40000110.4A142 D143 L144S140-A142 PolarHBondContact O-N 3.37Å; S140-D143 WeakPolarHBondContact CB-OD2 3.22Å; S140-D143 PolarHBondContact N-OD2 2.67Å; S140-D143 PolarHBondContact O-N 3.16Å; S140-L144 WeakPolarHBondContact O-CG 3.42Å; S140-L144 PolarHBondContact O-N 3.19Å
141Y95.4Very high88.3Confident43 Ų4363 Ų6317%0.16933%0.325CS..Hα-helixtrans-54.5-38.8169.7-76.6-64.4000111.6W136 D143 L144 I145 F173 S188 I189W136-Y141 AromaticContact CH2-CE1 3.98Å; W136-Y141 HydrophobicContact CH2-CE1 3.98Å; W136-Y141 HydrophobicContact CH2-CE2 4.02Å; W136-Y141 AromaticContact CH2-CZ 3.46Å; W136-Y141 VanDerWaalsContact CH2-CZ 3.46Å; W136-Y141 WeakPolarHBondContact CH2-OH 3.46Å; W136-Y141 HydrophobicContact CZ2-CD1 4.32Å; W136-Y141 HydrophobicContact CZ2-CD2 4.38Å; W136-Y141 AromaticContact CZ2-CE1 3.76Å; W136-Y141 HydrophobicContact CZ2-CE1 3.76Å; W136-Y141 AromaticContact CZ2-CE2 3.81Å; W136-Y141 HydrophobicContact CZ2-CE2 3.81Å; W136-Y141 AromaticContact CZ2-CZ 3.5Å; W136-Y141 VanDerWaalsContact CZ2-CZ 3.5Å; Y141-D143 VanDerWaalsContact C-N 3.33Å; Y141-D143 PolarHBondContact O-N 2.91Å; Y141-L144 HydrophobicContact CD1-CD1 4.42Å; Y141-L144 PolarHBondContact O-N 3.5Å; Y141-I145 WeakPolarHBondContact O-CB 3.48Å; Y141-I145 WeakPolarHBondContact O-CD1 3.34Å; Y141-I145 WeakPolarHBondContact O-CG1 3.4Å; Y141-I145 PolarHBondContact O-N 3.25Å; Y141-F173 AromaticContact CE1-CZ 3.96Å; Y141-F173 HydrophobicContact CE1-CZ 3.96Å; Y141-S188 WeakPolarHBondContact CE2-OG 3.18Å; Y141-S188 PolarHBondContact OH-OG 2.85Å; Y141-I189 HydrophobicContact CD1-CD1 3.56Å; Y141-I189 HydrophobicContact CD1-CG1 4.41Å; Y141-I189 HydrophobicContact CE1-CD1 4.15Å; Y141-I189 HydrophobicContact CG-CD1 4.32Å
142A95.2Very high90.1Very high8 Ų858.9 Ų58.97%0.06630%0.297CS..Hα-helixtrans-58.5-39.717300000113.2S140 T146 N192 F199S140-A142 PolarHBondContact O-N 3.37Å; A142-T146 WeakPolarHBondContact O-CB 3.46Å; A142-T146 PolarHBondContact O-N 3.38Å; A142-T146 PolarHBondContact O-OG1 3.3Å; A142-N192 PolarHBondContact N-OD1 2.92Å; A142-F199 HydrophobicContact CB-CE2 4.32Å; A142-F199 HydrophobicContact CB-CZ 4.42Å; A142-F199 WeakPolarHBondContact O-CZ 3.42Å
143D95.4Very high91.9Very high61 Ų6154 Ų5433%0.32629%0.294SS..Hα-helixtrans-72.6-36.5178.9-51.8-49.9000111.4L139 S140 Y141 T146 K147L139-D143 HydrophobicContact CB-CB 4.24Å; L139-D143 HydrophobicContact CD2-CB 3.97Å; S140-D143 WeakPolarHBondContact CB-OD2 3.22Å; S140-D143 PolarHBondContact N-OD2 2.67Å; S140-D143 PolarHBondContact O-N 3.16Å; Y141-D143 VanDerWaalsContact C-N 3.33Å; Y141-D143 PolarHBondContact O-N 2.91Å; D143-T146 PolarHBondContact O-N 3.18Å; D143-K147 WeakPolarHBondContact O-CG 3.44Å; D143-K147 PolarHBondContact O-N 3.29Å
144L95.6Very high92.9Very high6 Ų650 Ų503%0.03128%0.284CS..Hα-helixtrans-66.4-44.2174.7-64.2175.3000111.8W136 L139 S140 Y141 T146 K147 A148 W165 M166 I170W136-L144 HydrophobicContact CG-CD1 4.2Å; L139-L144 HydrophobicContact CB-CD2 3.85Å; L139-L144 HydrophobicContact CB-CG 4.06Å; L139-L144 HydrophobicContact CD1-CD2 3.68Å; L139-L144 HydrophobicContact CG-CD2 4.41Å; S140-L144 WeakPolarHBondContact O-CG 3.42Å; S140-L144 PolarHBondContact O-N 3.19Å; Y141-L144 HydrophobicContact CD1-CD1 4.42Å; Y141-L144 PolarHBondContact O-N 3.5Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 3.33Å; L144-K147 PolarHBondContact O-N 2.87Å; L144-A148 PolarHBondContact O-N 3.25Å; L144-W165 HydrophobicContact CB-CZ3 4.37Å; L144-W165 WeakPolarHBondContact O-CZ3 3.49Å; L144-M166 HydrophobicContact CB-CE 3.57Å; L144-M166 HydrophobicContact CB-SD 3.79Å; L144-M166 HydrophobicContact CD1-SD 4.1Å; L144-I170 HydrophobicContact CB-CD1 4.47Å; L144-I170 HydrophobicContact CD1-CD1 3.61Å; L144-I170 HydrophobicContact CD2-CD1 3.74Å; L144-I170 HydrophobicContact CD2-CG1 4.41Å; L144-I170 HydrophobicContact CG-CD1 4.14Å
145I96.6Very high93.5Very high0 Ų052 Ų520%029%0.289CS..Hα-helixtrans-63-41.3174.4-66.3160.3000110.2Y141 K147 A148 I149 I162 M166 I189 N192 L193 F199Y141-I145 WeakPolarHBondContact O-CB 3.48Å; Y141-I145 WeakPolarHBondContact O-CD1 3.34Å; Y141-I145 WeakPolarHBondContact O-CG1 3.4Å; Y141-I145 PolarHBondContact O-N 3.25Å; I145-K147 PolarHBondContact O-N 2.77Å; I145-A148 WeakPolarHBondContact O-CB 3.47Å; I145-A148 PolarHBondContact O-N 2.91Å; I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 WeakPolarHBondContact O-CG1 3.48Å; I145-I149 PolarHBondContact O-N 3.25Å; I145-I162 HydrophobicContact CG1-CG2 4.24Å; I145-I162 HydrophobicContact CG2-CD1 4.48Å; I145-M166 HydrophobicContact CB-CE 4.48Å; I145-M166 HydrophobicContact CG1-CE 3.78Å; I145-I189 HydrophobicContact CD1-CD1 3.94Å; I145-I189 HydrophobicContact CD1-CG2 4.24Å; I145-I189 HydrophobicContact CG1-CD1 3.87Å; I145-I189 HydrophobicContact CG1-CG2 4.42Å; I145-N192 HydrophobicContact CD1-CB 3.59Å; I145-L193 HydrophobicContact CD1-CD2 4.44Å; I145-L193 HydrophobicContact CD1-CG 4.21Å; I145-L193 HydrophobicContact CG2-CD2 3.58Å; I145-L193 HydrophobicContact CG2-CG 4.45Å; I145-F199 HydrophobicContact CB-CE1 4.15Å; I145-F199 HydrophobicContact CB-CE2 4.44Å; I145-F199 HydrophobicContact CB-CZ 3.85Å; I145-F199 HydrophobicContact CG2-CD1 3.94Å; I145-F199 HydrophobicContact CG2-CE1 3.48Å; I145-F199 VanDerWaalsContact CG2-CE1 3.48Å; I145-F199 HydrophobicContact CG2-CE2 4.14Å; I145-F199 HydrophobicContact CG2-CG 4.46Å; I145-F199 HydrophobicContact CG2-CZ 3.6Å
146T96.4Very high94.1Very high20 Ų2052.3 Ų52.312%0.12328%0.276CS..Hα-helixtrans-58.2-49.1174.4-55.90000110A142 D143 L144 A148 I149 E150 I215A142-T146 WeakPolarHBondContact O-CB 3.46Å; A142-T146 PolarHBondContact O-N 3.38Å; A142-T146 PolarHBondContact O-OG1 3.3Å; D143-T146 PolarHBondContact O-N 3.18Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 3.33Å; T146-A148 PolarHBondContact O-N 2.96Å; T146-I149 PolarHBondContact O-N 3.01Å; T146-E150 HydrophobicContact CG2-CG 4.4Å; T146-E150 WeakPolarHBondContact O-CB 3.3Å; T146-E150 WeakPolarHBondContact O-CG 3.08Å; T146-E150 PolarHBondContact O-N 2.84Å; T146-I215 HydrophobicContact CG2-CD1 3.78Å; T146-I215 HydrophobicContact CG2-CG1 4.46Å
147K95.8Very high94.6Very high100 Ų10051.1 Ų51.144%0.43527%0.273SS..Hα-helixtrans-63.4-36.7176.6-74.5-179.7177.3-173.50113.7L139 D143 L144 I145 S151 W165L139-K147 HydrophobicContact CD1-CD 4.35Å; D143-K147 WeakPolarHBondContact O-CG 3.44Å; D143-K147 PolarHBondContact O-N 3.29Å; L144-K147 PolarHBondContact O-N 2.87Å; I145-K147 PolarHBondContact O-N 2.77Å; K147-S151 VanDerWaalsContact O-CB 3.3Å; K147-S151 WeakPolarHBondContact O-CB 3.33Å; K147-S151 PolarHBondContact O-N 3.16Å; K147-S151 PolarHBondContact O-OG 2.93Å; K147-W165 HydrophobicContact CB-CH2 3.7Å; K147-W165 HydrophobicContact CB-CZ2 3.92Å
148A96.9Very high94.9Very high0 Ų050.6 Ų50.60%027%0.265CS..Hα-helixtrans-58.4-55.3174.300000110.6L144 I145 T146 E150 S151 S152 L157 W165L144-A148 PolarHBondContact O-N 3.25Å; I145-A148 WeakPolarHBondContact O-CB 3.47Å; I145-A148 PolarHBondContact O-N 2.91Å; T146-A148 PolarHBondContact O-N 2.96Å; A148-E150 PolarHBondContact O-N 2.84Å; A148-S151 PolarHBondContact O-N 3.39Å; A148-S151 VanDerWaalsContact O-N 3.16Å; A148-S151 PolarHBondContact O-OG 3Å; A148-S152 PolarHBondContact O-N 3.24Å; A148-L157 HydrophobicContact CB-CD1 3.91Å; A148-L157 WeakPolarHBondContact O-CD1 3.43Å; A148-W165 HydrophobicContact CB-CB 4.15Å; A148-W165 HydrophobicContact CB-CD2 3.47Å; A148-W165 VanDerWaalsContact CB-CD2 3.47Å; A148-W165 HydrophobicContact CB-CE3 3.6Å; A148-W165 HydrophobicContact CB-CG 3.7Å; A148-W165 HydrophobicContact CB-CZ3 4.19Å
149I96.5Very high95.2Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-65-41.6-179-61.6170000110.9I145 T146 S151 S152 K155 L157 F199 W213 I215I145-I149 HydrophobicContact CG2-CD1 3.9Å; I145-I149 WeakPolarHBondContact O-CG1 3.48Å; I145-I149 PolarHBondContact O-N 3.25Å; T146-I149 PolarHBondContact O-N 3.01Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 3.36Å; I149-S152 PolarHBondContact O-N 3.39Å; I149-S152 PolarHBondContact O-OG 3.28Å; I149-K155 WeakPolarHBondContact CG2-O 3.35Å; I149-L157 HydrophobicContact CG1-CB 4.48Å; I149-F199 HydrophobicContact CD1-CD1 4.02Å; I149-F199 HydrophobicContact CD1-CE1 4.31Å; I149-W213 HydrophobicContact CD1-CB 4.33Å; I149-I215 HydrophobicContact CB-CD1 3.88Å; I149-I215 HydrophobicContact CB-CG1 4.07Å; I149-I215 HydrophobicContact CD1-CG1 4.31Å; I149-I215 HydrophobicContact CG2-CD1 3.84Å; I149-I215 HydrophobicContact CG2-CG1 3.85Å
150E96.1Very high95.3Very high75 Ų7547.4 Ų47.435%0.3525%0.253SS..Hα-helixtrans-64.9-27.6175-74-161.1120.600113.7T146 A148 S152 K155 I215 K221T146-E150 HydrophobicContact CG2-CG 4.4Å; T146-E150 WeakPolarHBondContact O-CB 3.3Å; T146-E150 WeakPolarHBondContact O-CG 3.08Å; T146-E150 PolarHBondContact O-N 2.84Å; A148-E150 PolarHBondContact O-N 2.84Å; E150-S152 VanDerWaalsContact C-N 3.34Å; E150-K155 PolarHBondContact O-NZ 3.03Å; E150-I215 HydrophobicContact CG-CD1 3.5Å; E150-K221 WeakPolarHBondContact OE1-CE 3.4Å; E150-K221 IonicContact OE1-NZ 3.86Å; E150-K221 PolarHBondContact OE1-NZ 2.71Å
151S95.4Very high95.4Very high69 Ų6948.5 Ų48.548%0.48325%0.252SS..Hα-helixtrans-76.5-19.6176.475.60000113.7K147 A148 I149 W165K147-S151 VanDerWaalsContact O-CB 3.3Å; K147-S151 WeakPolarHBondContact O-CB 3.33Å; K147-S151 PolarHBondContact O-N 3.16Å; K147-S151 PolarHBondContact O-OG 2.93Å; A148-S151 PolarHBondContact O-N 3.39Å; A148-S151 VanDerWaalsContact O-N 3.16Å; A148-S151 PolarHBondContact O-OG 3Å; I149-S151 VanDerWaalsContact C-N 3.29Å; I149-S151 PolarHBondContact O-N 3.36Å; S151-W165 PolarHBondContact OG-NE1 3.18Å
152S94.8Very high95.4Very high10 Ų1046.4 Ų46.47%0.0724%0.244CC..SBendtrans-69.7144.5172.674.50000110.9A148 I149 E150 E154 K155 R156A148-S152 PolarHBondContact O-N 3.24Å; I149-S152 PolarHBondContact O-N 3.39Å; I149-S152 PolarHBondContact O-OG 3.28Å; E150-S152 VanDerWaalsContact C-N 3.34Å; S152-E154 VanDerWaalsContact C-N 3.33Å; S152-K155 WeakPolarHBondContact O-CD 3.3Å; S152-K155 PolarHBondContact O-NZ 2.84Å; S152-K155 VanDerWaalsContact OG-CA 3.24Å; S152-K155 WeakPolarHBondContact OG-CA 3.11Å; S152-K155 PolarHBondContact OG-N 3.43Å; S152-R156 PolarHBondContact OG-N 3.47Å; S152-R156 PolarHBondContact OG-O 2.86Å
153P93.4Very high95.4Very high123 Ų12347.7 Ų47.780%0.79925%0.248SC*.THydrogen-bonded Turntrans-65.4-39.7175.624.6-31.4000111.2K155P153-K155 VanDerWaalsContact C-N 3.32Å; P153-K155 PolarHBondContact O-N 3.15Å
154E91.9Very high95.4Very high108 Ų10848.1 Ų48.151%0.50525%0.25SC..THydrogen-bonded Turntrans-81.6-1.8-176.9-54.6-171.4137.300114.6S152 R156S152-E154 VanDerWaalsContact C-N 3.33Å; E154-R156 HydrophobicContact CB-CG 3.75Å; E154-R156 PolarHBondContact O-N 3.29Å; E154-R156 VanDerWaalsContact O-N 3.14Å; E154-R156 IonicContact OE1-CZ 2.67Å; E154-R156 IonicContact OE1-NH2 3.66Å; E154-R156 PolarHBondContact OE1-NH2 3.48Å; E154-R156 IonicContact OE2-CZ 2.63Å; E154-R156 VanDerWaalsContact OE2-CZ 3.27Å; E154-R156 IonicContact OE2-NE 3.27Å; E154-R156 PolarHBondContact OE2-NE 3.47Å; E154-R156 IonicContact OE2-NH2 3.58Å; E154-R156 PolarHBondContact OE2-NH2 3.4Å
155K94.9Very high95.4Very high109 Ų10949.6 Ų49.647%0.47426%0.255SS..SBendtrans53.728.2-174.5-49.9-56.6169.8-149.20114.5I149 E150 S152 P153I149-K155 WeakPolarHBondContact CG2-O 3.35Å; E150-K155 PolarHBondContact O-NZ 3.03Å; S152-K155 WeakPolarHBondContact O-CD 3.3Å; S152-K155 PolarHBondContact O-NZ 2.84Å; S152-K155 VanDerWaalsContact OG-CA 3.24Å; S152-K155 WeakPolarHBondContact OG-CA 3.11Å; S152-K155 PolarHBondContact OG-N 3.43Å; P153-K155 VanDerWaalsContact C-N 3.32Å; P153-K155 PolarHBondContact O-N 3.15Å
156R94.7Very high95.3Very high74 Ų7449.6 Ų49.628%0.27926%0.255SS..EExtended strand (participates in β ladder)trans-141.2144.9175.264.6-176.6-179.1-171.2-4.9109.8S152 E154 W212 W213 M214S152-R156 PolarHBondContact OG-N 3.47Å; S152-R156 PolarHBondContact OG-O 2.86Å; E154-R156 HydrophobicContact CB-CG 3.75Å; E154-R156 PolarHBondContact O-N 3.29Å; E154-R156 VanDerWaalsContact O-N 3.14Å; E154-R156 IonicContact OE1-CZ 2.67Å; E154-R156 IonicContact OE1-NH2 3.66Å; E154-R156 PolarHBondContact OE1-NH2 3.48Å; E154-R156 IonicContact OE2-CZ 2.63Å; E154-R156 VanDerWaalsContact OE2-CZ 3.27Å; E154-R156 IonicContact OE2-NE 3.27Å; E154-R156 PolarHBondContact OE2-NE 3.47Å; E154-R156 IonicContact OE2-NH2 3.58Å; E154-R156 PolarHBondContact OE2-NH2 3.4Å; R156-W212 HydrophobicContact CB-CB 4.38Å; R156-W212 HydrophobicContact CB-CD2 4.46Å; R156-W212 HydrophobicContact CB-CE3 4.1Å; R156-W212 HydrophobicContact CG-CD2 4.12Å; R156-W212 HydrophobicContact CG-CE3 3.78Å; R156-W212 HydrophobicContact CG-CZ3 4.17Å; R156-W213 WeakPolarHBondContact CA-O 3.2Å; R156-M214 HydrophobicContact CB-CB 4.48Å; R156-M214 HydrophobicContact CB-CG 3.7Å; R156-M214 HydrophobicContact CB-SD 3.9Å
157L96.4Very high95.2Very high19 Ų1950.4 Ų50.410%0.09926%0.26CS..EExtended strand (participates in β ladder)trans-140.8149.7172.8-71.7-178.8000110.5A148 I149 Q161 I162 W213A148-L157 HydrophobicContact CB-CD1 3.91Å; A148-L157 WeakPolarHBondContact O-CD1 3.43Å; I149-L157 HydrophobicContact CG1-CB 4.48Å; L157-Q161 HydrophobicContact CB-CB 4.2Å; L157-Q161 HydrophobicContact CD2-CB 3.96Å; L157-I162 HydrophobicContact CB-CD1 4.37Å; L157-I162 HydrophobicContact CB-CG1 3.83Å; L157-I162 HydrophobicContact CD1-CG1 4.05Å; L157-W213 PolarHBondContact N-O 3.2Å; L157-W213 PolarHBondContact O-N 3.02Å
158T96.3Very high95.1Very high12 Ų1254.8 Ų54.87%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-76.3163.3167.373.50000110.9S160 Q161 I162 S210 W212T158-S160 PolarHBondContact O-N 2.99Å; T158-Q161 PolarHBondContact O-N 3.38Å; T158-Q161 VanDerWaalsContact O-N 3.16Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.44Å; T158-Q161 PolarHBondContact OG1-N 3.17Å; T158-I162 WeakPolarHBondContact O-CG1 3.24Å; T158-I162 PolarHBondContact O-N 3.44Å; T158-I162 VanDerWaalsContact O-N 3.08Å; T158-S210 WeakPolarHBondContact CB-OG 3.45Å; T158-S210 WeakPolarHBondContact CG2-OG 3.4Å; T158-W212 HydrophobicContact CG2-CD2 4.37Å; T158-W212 HydrophobicContact CG2-CE3 3.8Å; T158-W212 HydrophobicContact CG2-CH2 4.13Å; T158-W212 HydrophobicContact CG2-CZ3 3.67Å
159L95.7Very high94.8Very high44 Ų4457.8 Ų57.823%0.2330%0.295CS..Hα-helixtrans-56.6-37.1176.8179.960.5000112.7I162 Y163 I189 R190 L193L159-I162 PolarHBondContact O-N 2.97Å; L159-Y163 HydrophobicContact CD1-CE1 3.85Å; L159-Y163 HydrophobicContact CD1-CE2 4.49Å; L159-Y163 HydrophobicContact CG-CE1 4.27Å; L159-Y163 HydrophobicContact CG-CE2 4.01Å; L159-Y163 PolarHBondContact O-N 3.12Å; L159-I189 HydrophobicContact CD1-CG2 4.27Å; L159-R190 HydrophobicContact CD1-CG 3.99Å; L159-R190 HydrophobicContact CD2-CG 3.98Å; L159-L193 HydrophobicContact CD1-CD1 3.63Å
160S94.6Very high94.6Very high63 Ų6358.4 Ų58.444%0.44130%0.298SS..Hα-helixtrans-65.6-48.1175.7-162.90000111.5T158 I162 Y163 D164T158-S160 PolarHBondContact O-N 2.99Å; S160-I162 PolarHBondContact O-N 3.42Å; S160-Y163 WeakPolarHBondContact O-CA 3.49Å; S160-Y163 WeakPolarHBondContact O-CB 3.37Å; S160-Y163 PolarHBondContact O-N 3.03Å; S160-D164 PolarHBondContact O-N 3.28Å
161Q95.6Very high94.3Very high74 Ų7459.7 Ų59.735%0.34631%0.312SS..Hα-helixtrans-61.5-29-179.9-67.3170.4-32.600112.7L157 T158 D164 W165L157-Q161 HydrophobicContact CB-CB 4.2Å; L157-Q161 HydrophobicContact CD2-CB 3.96Å; T158-Q161 PolarHBondContact O-N 3.38Å; T158-Q161 VanDerWaalsContact O-N 3.16Å; T158-Q161 WeakPolarHBondContact OG1-CG 3.44Å; T158-Q161 PolarHBondContact OG1-N 3.17Å; Q161-D164 WeakPolarHBondContact CA-OD2 3.42Å; Q161-W165 VanDerWaalsContact O-CB 3.29Å; Q161-W165 WeakPolarHBondContact O-CB 3.09Å; Q161-W165 PolarHBondContact O-N 2.67Å
162I96.3Very high93.9Very high0 Ų061 Ų610%031%0.308CS..Hα-helixtrans-68.1-41.8171.6-64.6168.4000110.7I145 L157 T158 L159 S160 W165 M166 I189 L193 W213I145-I162 HydrophobicContact CG1-CG2 4.24Å; I145-I162 HydrophobicContact CG2-CD1 4.48Å; L157-I162 HydrophobicContact CB-CD1 4.37Å; L157-I162 HydrophobicContact CB-CG1 3.83Å; L157-I162 HydrophobicContact CD1-CG1 4.05Å; T158-I162 WeakPolarHBondContact O-CG1 3.24Å; T158-I162 PolarHBondContact O-N 3.44Å; T158-I162 VanDerWaalsContact O-N 3.08Å; L159-I162 PolarHBondContact O-N 2.97Å; S160-I162 PolarHBondContact O-N 3.42Å; I162-W165 PolarHBondContact O-N 2.84Å; I162-M166 HydrophobicContact CG2-CE 4Å; I162-M166 WeakPolarHBondContact O-CG 3.49Å; I162-M166 PolarHBondContact O-N 2.97Å; I162-I189 HydrophobicContact CG2-CG2 3.81Å; I162-L193 HydrophobicContact CD1-CD1 4.14Å; I162-L193 HydrophobicContact CD1-CD2 4.15Å; I162-W213 HydrophobicContact CD1-CB 4.04Å; I162-W213 HydrophobicContact CD1-CG 4.39Å
163Y95Very high93.6Very high34 Ų3460.6 Ų60.613%0.13331%0.305CS..Hα-helixtrans-61-47.3172.1-53.9-37.4000111.2L159 S160 W165 M166 V167 W185 K186 I189 R190L159-Y163 HydrophobicContact CD1-CE1 3.85Å; L159-Y163 HydrophobicContact CD1-CE2 4.49Å; L159-Y163 HydrophobicContact CG-CE1 4.27Å; L159-Y163 HydrophobicContact CG-CE2 4.01Å; L159-Y163 PolarHBondContact O-N 3.12Å; S160-Y163 WeakPolarHBondContact O-CA 3.49Å; S160-Y163 WeakPolarHBondContact O-CB 3.37Å; S160-Y163 PolarHBondContact O-N 3.03Å; Y163-W165 VanDerWaalsContact C-N 3.28Å; Y163-W165 PolarHBondContact O-N 3.42Å; Y163-M166 PolarHBondContact O-N 2.97Å; Y163-M166 VanDerWaalsContact O-N 3.13Å; Y163-V167 WeakPolarHBondContact O-CG2 3.37Å; Y163-V167 PolarHBondContact O-N 3.43Å; Y163-V167 VanDerWaalsContact O-N 3.11Å; Y163-W185 HydrophobicContact CD1-CH2 4.42Å; Y163-W185 HydrophobicContact CD1-CZ3 4.07Å; Y163-K186 HydrophobicContact CD1-CB 4.15Å; Y163-K186 HydrophobicContact CD1-CD 4.4Å; Y163-K186 HydrophobicContact CD1-CG 3.8Å; Y163-K186 HydrophobicContact CD2-CD 4.26Å; Y163-K186 HydrophobicContact CE1-CB 3.67Å; Y163-K186 HydrophobicContact CE1-CG 3.86Å; Y163-K186 HydrophobicContact CE2-CD 4.41Å; Y163-K186 HydrophobicContact CG-CD 4.26Å; Y163-K186 HydrophobicContact CG-CG 4.14Å; Y163-I189 HydrophobicContact CD1-CG2 4.36Å; Y163-I189 HydrophobicContact CE1-CB 4.24Å; Y163-I189 HydrophobicContact CE1-CG2 4.1Å; Y163-R190 PolarHBondContact OH-NH1 3.26Å; Y163-R190 VanDerWaalsContact OH-NH1 3.07Å
164D94.9Very high93.2Very high70 Ų7060.9 Ų60.937%0.37429%0.293SS..Hα-helixtrans-60.6-39-179.3-53.3-33.8000111.6S160 Q161 R168S160-D164 PolarHBondContact O-N 3.28Å; Q161-D164 WeakPolarHBondContact CA-OD2 3.42Å; D164-R168 WeakPolarHBondContact O-CB 3.24Å; D164-R168 PolarHBondContact O-N 3.14Å
165W95.8Very high92.8Very high38 Ų3862 Ų6214%0.14430%0.302CS..Hα-helixtrans-65.4-43.2174.8-173.497.5000112.2L144 K147 A148 S151 Q161 I162 Y163 V167 R168 S169 I170L144-W165 HydrophobicContact CB-CZ3 4.37Å; L144-W165 WeakPolarHBondContact O-CZ3 3.49Å; K147-W165 HydrophobicContact CB-CH2 3.7Å; K147-W165 HydrophobicContact CB-CZ2 3.92Å; A148-W165 HydrophobicContact CB-CB 4.15Å; A148-W165 HydrophobicContact CB-CD2 3.47Å; A148-W165 VanDerWaalsContact CB-CD2 3.47Å; A148-W165 HydrophobicContact CB-CE3 3.6Å; A148-W165 HydrophobicContact CB-CG 3.7Å; A148-W165 HydrophobicContact CB-CZ3 4.19Å; S151-W165 PolarHBondContact OG-NE1 3.18Å; Q161-W165 VanDerWaalsContact O-CB 3.29Å; Q161-W165 WeakPolarHBondContact O-CB 3.09Å; Q161-W165 PolarHBondContact O-N 2.67Å; I162-W165 PolarHBondContact O-N 2.84Å; Y163-W165 VanDerWaalsContact C-N 3.28Å; Y163-W165 PolarHBondContact O-N 3.42Å; W165-V167 VanDerWaalsContact C-N 3.33Å; W165-V167 PolarHBondContact O-N 3.02Å; W165-R168 PolarHBondContact O-N 3.45Å; W165-S169 WeakPolarHBondContact O-CB 3.38Å; W165-S169 PolarHBondContact O-N 3.17Å; W165-I170 HydrophobicContact CZ3-CD1 4.14Å; W165-I170 HydrophobicContact CZ3-CG1 4.36Å
166M94.5Very high92.2Very high0 Ų060.6 Ų60.60%030%0.297CS..Hα-helixtrans-60-45.8178.6-64.2-82.9163.100110.7L144 I145 I162 Y163 I170 F173 W185 I189L144-M166 HydrophobicContact CB-CE 3.57Å; L144-M166 HydrophobicContact CB-SD 3.79Å; L144-M166 HydrophobicContact CD1-SD 4.1Å; I145-M166 HydrophobicContact CB-CE 4.48Å; I145-M166 HydrophobicContact CG1-CE 3.78Å; I162-M166 HydrophobicContact CG2-CE 4Å; I162-M166 WeakPolarHBondContact O-CG 3.49Å; I162-M166 PolarHBondContact O-N 2.97Å; Y163-M166 PolarHBondContact O-N 2.97Å; Y163-M166 VanDerWaalsContact O-N 3.13Å; M166-I170 HydrophobicContact CB-CD1 4.33Å; M166-I170 VanDerWaalsContact O-CB 3.24Å; M166-I170 WeakPolarHBondContact O-CB 3.4Å; M166-I170 PolarHBondContact O-N 3.3Å; M166-I170 VanDerWaalsContact O-N 3.15Å; M166-I170 HydrophobicContact SD-CD1 3.59Å; M166-I170 VanDerWaalsContact SD-CD1 3.59Å; M166-F173 HydrophobicContact CB-CD2 4.28Å; M166-W185 HydrophobicContact CB-CH2 4.05Å; M166-W185 HydrophobicContact CB-CZ3 3.8Å; M166-W185 HydrophobicContact CG-CZ3 4.12Å; M166-I189 HydrophobicContact CE-CD1 3.64Å; M166-I189 HydrophobicContact CG-CD1 4.34Å; M166-I189 HydrophobicContact SD-CD1 3.97Å
167V94.1Very high91.3Very high36 Ų3658 Ų5822%0.21829%0.293CS..Hα-helixtrans-62.5-42.9176.2177.80000111.3Y163 W165 F173 K174 G177 W185Y163-V167 WeakPolarHBondContact O-CG2 3.37Å; Y163-V167 PolarHBondContact O-N 3.43Å; Y163-V167 VanDerWaalsContact O-N 3.11Å; W165-V167 VanDerWaalsContact C-N 3.33Å; W165-V167 PolarHBondContact O-N 3.02Å; V167-F173 HydrophobicContact CG2-CB 4.48Å; V167-K174 WeakPolarHBondContact O-CG 3.38Å; V167-G177 VanDerWaalsContact CG2-CA 3.46Å; V167-W185 HydrophobicContact CG2-CH2 3.96Å; V167-W185 HydrophobicContact CG2-CZ2 3.89Å
168R93.3Very high90.1Very high193 Ų19363.9 Ų63.973%0.72832%0.324SS*.Hα-helixtrans-77.2-35.4-174.4-165.5-179.5-55.9143.39.1114.2D164 W165D164-R168 WeakPolarHBondContact O-CB 3.24Å; D164-R168 PolarHBondContact O-N 3.14Å; W165-R168 PolarHBondContact O-N 3.45Å
169S91.5Very high89Confident63 Ų6366 Ų6644%0.44134%0.339SS..Hα-helixtrans-101.6-11.7-172.4-64.90000114.6W165W165-S169 WeakPolarHBondContact O-CB 3.38Å; W165-S169 PolarHBondContact O-N 3.17Å
170I91.1Very high87.7Confident13 Ų1371 Ų717%0.06737%0.367CS..  trans-124.9111.4-176-51.2170.6000109.2W136 L144 W165 M166 Y172 F173W136-I170 HydrophobicContact CB-CG2 3.38Å; W136-I170 HydrophobicContact CG-CG2 4.34Å; L144-I170 HydrophobicContact CB-CD1 4.47Å; L144-I170 HydrophobicContact CD1-CD1 3.61Å; L144-I170 HydrophobicContact CD2-CD1 3.74Å; L144-I170 HydrophobicContact CD2-CG1 4.41Å; L144-I170 HydrophobicContact CG-CD1 4.14Å; W165-I170 HydrophobicContact CZ3-CD1 4.14Å; W165-I170 HydrophobicContact CZ3-CG1 4.36Å; M166-I170 HydrophobicContact CB-CD1 4.33Å; M166-I170 VanDerWaalsContact O-CB 3.24Å; M166-I170 WeakPolarHBondContact O-CB 3.4Å; M166-I170 PolarHBondContact O-N 3.3Å; M166-I170 VanDerWaalsContact O-N 3.15Å; M166-I170 HydrophobicContact SD-CD1 3.59Å; M166-I170 VanDerWaalsContact SD-CD1 3.59Å; I170-Y172 PolarHBondContact O-N 2.96Å; I170-F173 HydrophobicContact CB-CD2 3.93Å; I170-F173 HydrophobicContact CD1-CD2 3.86Å; I170-F173 HydrophobicContact CD1-CE2 4.06Å; I170-F173 HydrophobicContact CG2-CD2 3.84Å; I170-F173 HydrophobicContact CG2-CE2 4.31Å; I170-F173 PolarHBondContact O-N 3.11Å
171P89.8Confident86.2Confident101 Ų10173 Ų7366%0.65638%0.381SS*.Hα-helixtrans-51.1-37.7-176.1-31.436.5000114.8F173 K174P171-F173 VanDerWaalsContact C-N 3.26Å; P171-F173 PolarHBondContact O-N 3.34Å; P171-K174 WeakPolarHBondContact O-CB 3.42Å; P171-K174 PolarHBondContact O-N 3.33Å
172Y87.9Confident84.9Confident97 Ų9769.7 Ų69.738%0.3837%0.366SS..Hα-helixtrans-61-27.4179.5179.9-97000115.1A135 W136 I170 K176A135-Y172 HydrophobicContact CB-CD1 4.34Å; A135-Y172 HydrophobicContact CB-CD2 3.29Å; A135-Y172 HydrophobicContact CB-CE1 4.38Å; A135-Y172 HydrophobicContact CB-CE2 3.34Å; A135-Y172 HydrophobicContact CB-CG 3.82Å; W136-Y172 AromaticContact CE3-CD1 3.52Å; W136-Y172 HydrophobicContact CE3-CD1 3.52Å; W136-Y172 AromaticContact CE3-CE1 3.88Å; W136-Y172 HydrophobicContact CE3-CE1 3.88Å; W136-Y172 HydrophobicContact CE3-CG 4.19Å; W136-Y172 AromaticContact CZ3-CD1 3.82Å; W136-Y172 HydrophobicContact CZ3-CD1 3.82Å; W136-Y172 AromaticContact CZ3-CE1 3.68Å; W136-Y172 HydrophobicContact CZ3-CE1 3.68Å; I170-Y172 PolarHBondContact O-N 2.96Å; Y172-K176 HydrophobicContact CE1-CD 4.01Å; Y172-K176 WeakPolarHBondContact O-CD 3.37Å
173F87.4Confident83.9Confident2 Ų272.4 Ų72.41%0.00939%0.388CS..Hα-helixtrans-96.8-7.9-178.6-68.1-62.8000113.7W136 Y141 M166 V167 I170 P171 D175 K176 G177 W185W136-F173 AromaticContact CD2-CE2 3.96Å; W136-F173 HydrophobicContact CD2-CE2 3.96Å; W136-F173 HydrophobicContact CD2-CZ 4.13Å; W136-F173 HydrophobicContact CE3-CE1 4.42Å; W136-F173 AromaticContact CE3-CE2 3.69Å; W136-F173 HydrophobicContact CE3-CE2 3.69Å; W136-F173 AromaticContact CE3-CZ 3.52Å; W136-F173 HydrophobicContact CE3-CZ 3.52Å; W136-F173 HydrophobicContact CG-CE2 4.49Å; W136-F173 AromaticContact CH2-CZ 3.93Å; W136-F173 HydrophobicContact CH2-CZ 3.93Å; W136-F173 HydrophobicContact CZ2-CZ 4.47Å; W136-F173 HydrophobicContact CZ3-CE1 4.15Å; W136-F173 HydrophobicContact CZ3-CE2 4.08Å; W136-F173 AromaticContact CZ3-CZ 3.42Å; W136-F173 HydrophobicContact CZ3-CZ 3.42Å; W136-F173 VanDerWaalsContact CZ3-CZ 3.42Å; Y141-F173 AromaticContact CE1-CZ 3.96Å; Y141-F173 HydrophobicContact CE1-CZ 3.96Å; M166-F173 HydrophobicContact CB-CD2 4.28Å; V167-F173 HydrophobicContact CG2-CB 4.48Å; I170-F173 HydrophobicContact CB-CD2 3.93Å; I170-F173 HydrophobicContact CD1-CD2 3.86Å; I170-F173 HydrophobicContact CD1-CE2 4.06Å; I170-F173 HydrophobicContact CG2-CD2 3.84Å; I170-F173 HydrophobicContact CG2-CE2 4.31Å; I170-F173 PolarHBondContact O-N 3.11Å; P171-F173 VanDerWaalsContact C-N 3.26Å; P171-F173 PolarHBondContact O-N 3.34Å; F173-D175 PolarHBondContact O-N 2.78Å; F173-K176 CarbonylContact O-C 3.6Å; F173-K176 PolarHBondContact O-N 3.02Å; F173-K176 VanDerWaalsContact O-N 3.13Å; F173-G177 PolarHBondContact O-N 3.46Å; F173-W185 HydrophobicContact CD1-CB 4.48Å; F173-W185 AromaticContact CD1-CD1 3.95Å; F173-W185 AromaticContact CD1-CD2 3.77Å; F173-W185 HydrophobicContact CD1-CD2 3.77Å; F173-W185 AromaticContact CD1-CE2 3.82Å; F173-W185 HydrophobicContact CD1-CE3 4.3Å; F173-W185 AromaticContact CD1-CG 3.87Å; F173-W185 HydrophobicContact CD1-CG 3.87Å; F173-W185 HydrophobicContact CD1-CZ2 4.39Å; F173-W185 AromaticContact CD1-NE1 3.92Å; F173-W185 HydrophobicContact CE1-CB 3.65Å; F173-W185 AromaticContact CE1-CD1 3.9Å; F173-W185 AromaticContact CE1-CD2 3.73Å; F173-W185 HydrophobicContact CE1-CD2 3.73Å; F173-W185 HydrophobicContact CE1-CE3 4.2Å; F173-W185 AromaticContact CE1-CG 3.5Å; F173-W185 HydrophobicContact CE1-CG 3.5Å; F173-W185 HydrophobicContact CZ-CB 4.3Å; F173-W185 HydrophobicContact CZ-CG 4.46Å
174K86.4Confident83.6Confident128 Ų12873.4 Ų73.456%0.55741%0.408SS*.Hα-helixtrans-53.9-54.1177.4-70.9-179.268.2-169.90111.3V167 P171 K176V167-K174 WeakPolarHBondContact O-CG 3.38Å; P171-K174 WeakPolarHBondContact O-CB 3.42Å; P171-K174 PolarHBondContact O-N 3.33Å; K174-K176 PolarHBondContact O-N 2.95Å; K174-K176 VanDerWaalsContact O-N 3.1Å
175D83.6Confident83.5Confident131 Ų13171 Ų7170%0.70139%0.394SS*.THydrogen-bonded Turntrans-84.821.6-176.4-31-45.6000111.7F173F173-D175 PolarHBondContact O-N 2.78Å
176K81Confident83.4Confident81 Ų8171.2 Ų71.235%0.35240%0.396SS..THydrogen-bonded Turntrans-146.523-174.9-52.7-172-171.3-520112.2Y172 F173 K174 S182 W185Y172-K176 HydrophobicContact CE1-CD 4.01Å; Y172-K176 WeakPolarHBondContact O-CD 3.37Å; F173-K176 CarbonylContact O-C 3.6Å; F173-K176 PolarHBondContact O-N 3.02Å; F173-K176 VanDerWaalsContact O-N 3.13Å; K174-K176 PolarHBondContact O-N 2.95Å; K174-K176 VanDerWaalsContact O-N 3.1Å; K176-S182 PolarHBondContact O-OG 3.27Å; K176-W185 PolarHBondContact O-NE1 3.35Å
177G75.4Confident83.4Confident19 Ų1975.4 Ų75.420%0.19642%0.419CS..SBendtrans-90.3-34.8-176.700000114.2V167 F173 K186V167-G177 VanDerWaalsContact CG2-CA 3.46Å; F173-G177 PolarHBondContact O-N 3.46Å; G177-K186 PolarHBondContact O-NZ 3.2Å
178D71.6Confident83.4Confident142 Ų14275 Ų7576%0.75942%0.417SS*.SBendtrans-99.4-46.5-170.455.8-15.4000113
179S74.5Confident83.6Confident56 Ų5665.8 Ų65.839%0.39238%0.382SS..SBendtrans-54.4138.5-177.7-178.20000112.5S181 S182S179-S181 PolarHBondContact O-N 2.89Å; S179-S181 VanDerWaalsContact O-N 3.09Å; S179-S181 PolarHBondContact OG-N 2.73Å; S179-S181 PolarHBondContact OG-OG 2.94Å; S179-S182 WeakPolarHBondContact O-CB 3.21Å; S179-S182 PolarHBondContact O-N 3.39Å; S179-S182 PolarHBondContact O-OG 3.26Å
180N68.4Low83.8Confident151 Ų15167.5 Ų67.581%0.80738%0.379SS*.G310 helixtrans-54.4-30.6175.8-165.813.3000112.3S182 A183N180-S182 PolarHBondContact O-N 2.91Å; N180-A183 PolarHBondContact O-N 3.36Å
181S62.6Low84.1Confident105 Ų10571.9 Ų71.973%0.73440%0.399SS*.G310 helixtrans-54.8-11.8170.7-54.40000114.8S179 A183S179-S181 PolarHBondContact O-N 2.89Å; S179-S181 VanDerWaalsContact O-N 3.09Å; S179-S181 PolarHBondContact OG-N 2.73Å; S179-S181 PolarHBondContact OG-OG 2.94Å; S181-A183 PolarHBondContact O-N 3.39Å; S181-A183 VanDerWaalsContact O-N 3.17Å
182S68.7Low84.4Confident4 Ų467.8 Ų67.83%0.02837%0.372CS..G310 helixtrans-55.2-23168-61.30000114.3K176 S179 N180 G184 W185 K186K176-S182 PolarHBondContact O-OG 3.27Å; S179-S182 WeakPolarHBondContact O-CB 3.21Å; S179-S182 PolarHBondContact O-N 3.39Å; S179-S182 PolarHBondContact O-OG 3.26Å; N180-S182 PolarHBondContact O-N 2.91Å; S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 3.28Å; S182-G184 VanDerWaalsContact O-N 3.12Å; S182-W185 VanDerWaalsContact O-CD1 3.31Å; S182-W185 PolarHBondContact O-N 2.84Å; S182-K186 VanDerWaalsContact CB-CE 3.47Å; S182-K186 VanDerWaalsContact CB-NZ 3.31Å; S182-K186 PolarHBondContact O-N 3.05Å; S182-K186 PolarHBondContact OG-NZ 2.87Å; S182-K186 VanDerWaalsContact OG-NZ 3.11Å
183A75.4Confident84.8Confident56 Ų5663.3 Ų63.346%0.46335%0.354SS..Hα-helixtrans-48.8-43.2-169.800000113.6N180 S181 N187N180-A183 PolarHBondContact O-N 3.36Å; S181-A183 PolarHBondContact O-N 3.39Å; S181-A183 VanDerWaalsContact O-N 3.17Å; A183-N187 VanDerWaalsContact O-CB 3.24Å; A183-N187 WeakPolarHBondContact O-CB 3.37Å; A183-N187 PolarHBondContact O-N 2.66Å
184G88.8Confident85.2Confident55 Ų5567.6 Ų67.657%0.56739%0.385SS*.Hα-helixtrans-62.3-49.9-178.900000113.8S182 N187 S188S182-G184 VanDerWaalsContact C-N 3.26Å; S182-G184 PolarHBondContact O-N 3.28Å; S182-G184 VanDerWaalsContact O-N 3.12Å; G184-N187 PolarHBondContact O-N 3.02Å; G184-S188 PolarHBondContact O-N 3.28Å; G184-S188 VanDerWaalsContact O-N 3.13Å
185W91.8Very high85.6Confident20 Ų2066.2 Ų66.28%0.07638%0.383CS..Hα-helixtrans-72.4-41.3-179.775.9-103.7000111.4Y163 M166 V167 F173 K176 S182 N187 S188 I189Y163-W185 HydrophobicContact CD1-CH2 4.42Å; Y163-W185 HydrophobicContact CD1-CZ3 4.07Å; M166-W185 HydrophobicContact CB-CH2 4.05Å; M166-W185 HydrophobicContact CB-CZ3 3.8Å; M166-W185 HydrophobicContact CG-CZ3 4.12Å; V167-W185 HydrophobicContact CG2-CH2 3.96Å; V167-W185 HydrophobicContact CG2-CZ2 3.89Å; F173-W185 HydrophobicContact CD1-CB 4.48Å; F173-W185 AromaticContact CD1-CD1 3.95Å; F173-W185 AromaticContact CD1-CD2 3.77Å; F173-W185 HydrophobicContact CD1-CD2 3.77Å; F173-W185 AromaticContact CD1-CE2 3.82Å; F173-W185 HydrophobicContact CD1-CE3 4.3Å; F173-W185 AromaticContact CD1-CG 3.87Å; F173-W185 HydrophobicContact CD1-CG 3.87Å; F173-W185 HydrophobicContact CD1-CZ2 4.39Å; F173-W185 AromaticContact CD1-NE1 3.92Å; F173-W185 HydrophobicContact CE1-CB 3.65Å; F173-W185 AromaticContact CE1-CD1 3.9Å; F173-W185 AromaticContact CE1-CD2 3.73Å; F173-W185 HydrophobicContact CE1-CD2 3.73Å; F173-W185 HydrophobicContact CE1-CE3 4.2Å; F173-W185 AromaticContact CE1-CG 3.5Å; F173-W185 HydrophobicContact CE1-CG 3.5Å; F173-W185 HydrophobicContact CZ-CB 4.3Å; F173-W185 HydrophobicContact CZ-CG 4.46Å; K176-W185 PolarHBondContact O-NE1 3.35Å; S182-W185 VanDerWaalsContact O-CD1 3.31Å; S182-W185 PolarHBondContact O-N 2.84Å; W185-N187 PolarHBondContact O-N 3.3Å; W185-S188 PolarHBondContact O-N 3.24Å; W185-S188 VanDerWaalsContact O-N 3.1Å; W185-S188 PolarHBondContact O-OG 3.27Å; W185-I189 HydrophobicContact CE3-CG1 4.13Å; W185-I189 HydrophobicContact CZ3-CG1 4.31Å; W185-I189 PolarHBondContact O-N 2.97Å; W185-I189 VanDerWaalsContact O-N 3.12Å
186K93.6Very high86.1Confident42 Ų4263.3 Ų63.318%0.18337%0.365CS..Hα-helixtrans-60.1-31.7174-68.1179.8-179.7157.90111.7Y163 G177 S182 R190Y163-K186 HydrophobicContact CD1-CB 4.15Å; Y163-K186 HydrophobicContact CD1-CD 4.4Å; Y163-K186 HydrophobicContact CD1-CG 3.8Å; Y163-K186 HydrophobicContact CD2-CD 4.26Å; Y163-K186 HydrophobicContact CE1-CB 3.67Å; Y163-K186 HydrophobicContact CE1-CG 3.86Å; Y163-K186 HydrophobicContact CE2-CD 4.41Å; Y163-K186 HydrophobicContact CG-CD 4.26Å; Y163-K186 HydrophobicContact CG-CG 4.14Å; G177-K186 PolarHBondContact O-NZ 3.2Å; S182-K186 VanDerWaalsContact CB-CE 3.47Å; S182-K186 VanDerWaalsContact CB-NZ 3.31Å; S182-K186 PolarHBondContact O-N 3.05Å; S182-K186 PolarHBondContact OG-NZ 2.87Å; S182-K186 VanDerWaalsContact OG-NZ 3.11Å; K186-R190 PolarHBondContact O-N 3.43Å; K186-R190 PolarHBondContact O-NH1 2.93Å
187N94.5Very high86.6Confident89 Ų8964.5 Ų64.548%0.47638%0.383SS..Hα-helixtrans-70-43.4172.9-161.136.4000112.9A183 G184 W185 I189 R190 H191A183-N187 VanDerWaalsContact O-CB 3.24Å; A183-N187 WeakPolarHBondContact O-CB 3.37Å; A183-N187 PolarHBondContact O-N 2.66Å; G184-N187 PolarHBondContact O-N 3.02Å; W185-N187 PolarHBondContact O-N 3.3Å; N187-I189 PolarHBondContact O-N 3.28Å; N187-R190 WeakPolarHBondContact O-CB 3.44Å; N187-R190 PolarHBondContact O-N 2.99Å; N187-R190 VanDerWaalsContact O-N 3.11Å; N187-R190 PolarHBondContact OD1-NE 2.93Å; N187-R190 PolarHBondContact OD1-NH2 3.49Å; N187-H191 PolarHBondContact O-N 3.39Å
188S95.3Very high87.5Confident26 Ų2668 Ų6818%0.18239%0.39CS..Hα-helixtrans-62.1-31.7177.569.10000113.1Y141 G184 W185 N192Y141-S188 WeakPolarHBondContact CE2-OG 3.18Å; Y141-S188 PolarHBondContact OH-OG 2.85Å; G184-S188 PolarHBondContact O-N 3.28Å; G184-S188 VanDerWaalsContact O-N 3.13Å; W185-S188 PolarHBondContact O-N 3.24Å; W185-S188 VanDerWaalsContact O-N 3.1Å; W185-S188 PolarHBondContact O-OG 3.27Å; S188-N192 WeakPolarHBondContact O-CB 3.41Å; S188-N192 PolarHBondContact O-N 3.48Å; S188-N192 PolarHBondContact O-ND2 3.23Å
189I96Very high88.6Confident0 Ų061.8 Ų61.80%036%0.357CS..Hα-helixtrans-62.2-51.4169.6-65.5-62.7000111.2Y141 I145 L159 I162 Y163 M166 W185 N187 H191 N192 L193Y141-I189 HydrophobicContact CD1-CD1 3.56Å; Y141-I189 HydrophobicContact CD1-CG1 4.41Å; Y141-I189 HydrophobicContact CE1-CD1 4.15Å; Y141-I189 HydrophobicContact CG-CD1 4.32Å; I145-I189 HydrophobicContact CD1-CD1 3.94Å; I145-I189 HydrophobicContact CD1-CG2 4.24Å; I145-I189 HydrophobicContact CG1-CD1 3.87Å; I145-I189 HydrophobicContact CG1-CG2 4.42Å; L159-I189 HydrophobicContact CD1-CG2 4.27Å; I162-I189 HydrophobicContact CG2-CG2 3.81Å; Y163-I189 HydrophobicContact CD1-CG2 4.36Å; Y163-I189 HydrophobicContact CE1-CB 4.24Å; Y163-I189 HydrophobicContact CE1-CG2 4.1Å; M166-I189 HydrophobicContact CE-CD1 3.64Å; M166-I189 HydrophobicContact CG-CD1 4.34Å; M166-I189 HydrophobicContact SD-CD1 3.97Å; W185-I189 HydrophobicContact CE3-CG1 4.13Å; W185-I189 HydrophobicContact CZ3-CG1 4.31Å; W185-I189 PolarHBondContact O-N 2.97Å; W185-I189 VanDerWaalsContact O-N 3.12Å; N187-I189 PolarHBondContact O-N 3.28Å; I189-H191 VanDerWaalsContact C-N 3.29Å; I189-H191 PolarHBondContact O-N 3.5Å; I189-N192 PolarHBondContact O-N 3.36Å; I189-L193 HydrophobicContact CG2-CD1 3.95Å; I189-L193 WeakPolarHBondContact O-CG 3.39Å; I189-L193 PolarHBondContact O-N 2.68Å
190R96.6Very high89.6Confident100 Ų10061.8 Ų61.838%0.37735%0.352SS..Hα-helixtrans-56.9-42.4177.5-68-175-61.2-10014.2112.2L159 Y163 K186 N187 L193 S194L159-R190 HydrophobicContact CD1-CG 3.99Å; L159-R190 HydrophobicContact CD2-CG 3.98Å; Y163-R190 PolarHBondContact OH-NH1 3.26Å; Y163-R190 VanDerWaalsContact OH-NH1 3.07Å; K186-R190 PolarHBondContact O-N 3.43Å; K186-R190 PolarHBondContact O-NH1 2.93Å; N187-R190 WeakPolarHBondContact O-CB 3.44Å; N187-R190 PolarHBondContact O-N 2.99Å; N187-R190 VanDerWaalsContact O-N 3.11Å; N187-R190 PolarHBondContact OD1-NE 2.93Å; N187-R190 PolarHBondContact OD1-NH2 3.49Å; R190-L193 PolarHBondContact O-N 3.36Å; R190-S194 PolarHBondContact O-N 2.71Å; R190-S194 PolarHBondContact O-OG 3.4Å
191H96.4Very high90.9Very high104 Ų10461.7 Ų61.748%0.48134%0.34SS..Hα-helixtrans-64.8-42.5176.517466.3000112.7N187 I189 L193 S194 L195N187-H191 PolarHBondContact O-N 3.39Å; I189-H191 VanDerWaalsContact C-N 3.29Å; I189-H191 PolarHBondContact O-N 3.5Å; H191-L193 VanDerWaalsContact C-N 3.32Å; H191-L193 PolarHBondContact O-N 2.9Å; H191-S194 PolarHBondContact O-N 3.43Å; H191-S194 PolarHBondContact O-OG 2.85Å; H191-L195 VanDerWaalsContact CE1-CD1 3.48Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.11Å; H191-L195 WeakPolarHBondContact O-CB 3.5Å; H191-L195 PolarHBondContact O-N 2.85Å
192N97.3Very high92.4Very high16 Ų1659.2 Ų59.29%0.08632%0.321CS..Hα-helixtrans-65.5-35.5177-86.7-109.1000112.3A142 I145 S188 I189 H196 F199A142-N192 PolarHBondContact N-OD1 2.92Å; I145-N192 HydrophobicContact CD1-CB 3.59Å; S188-N192 WeakPolarHBondContact O-CB 3.41Å; S188-N192 PolarHBondContact O-N 3.48Å; S188-N192 PolarHBondContact O-ND2 3.23Å; I189-N192 PolarHBondContact O-N 3.36Å; N192-H196 PolarHBondContact O-N 3.02Å; N192-F199 WeakPolarHBondContact O-CD2 3.41Å
193L96.1Very high93.5Very high2 Ų263.8 Ų63.81%0.0134%0.341CS..Hα-helixtrans-65.5-34177-74.3167.9000113.1I145 L159 I162 I189 R190 H191 F199 W213I145-L193 HydrophobicContact CD1-CD2 4.44Å; I145-L193 HydrophobicContact CD1-CG 4.21Å; I145-L193 HydrophobicContact CG2-CD2 3.58Å; I145-L193 HydrophobicContact CG2-CG 4.45Å; L159-L193 HydrophobicContact CD1-CD1 3.63Å; I162-L193 HydrophobicContact CD1-CD1 4.14Å; I162-L193 HydrophobicContact CD1-CD2 4.15Å; I189-L193 HydrophobicContact CG2-CD1 3.95Å; I189-L193 WeakPolarHBondContact O-CG 3.39Å; I189-L193 PolarHBondContact O-N 2.68Å; R190-L193 PolarHBondContact O-N 3.36Å; H191-L193 VanDerWaalsContact C-N 3.32Å; H191-L193 PolarHBondContact O-N 2.9Å; L193-F199 HydrophobicContact CD2-CB 4.16Å; L193-F199 HydrophobicContact CD2-CD1 4.42Å; L193-F199 HydrophobicContact CD2-CD2 4.24Å; L193-F199 HydrophobicContact CD2-CG 3.99Å; L193-W213 HydrophobicContact CB-CD2 4.19Å; L193-W213 HydrophobicContact CB-CE3 4.04Å; L193-W213 HydrophobicContact CB-CH2 3.84Å; L193-W213 HydrophobicContact CB-CZ2 4.01Å; L193-W213 HydrophobicContact CB-CZ3 3.86Å; L193-W213 HydrophobicContact CD1-CD2 4.14Å; L193-W213 HydrophobicContact CD1-CG 4.23Å; L193-W213 HydrophobicContact CD1-CZ2 4.47Å; L193-W213 HydrophobicContact CD2-CB 4.12Å; L193-W213 HydrophobicContact CD2-CD2 3.8Å; L193-W213 HydrophobicContact CD2-CE3 3.85Å; L193-W213 HydrophobicContact CD2-CG 3.93Å; L193-W213 HydrophobicContact CD2-CZ3 4.49Å; L193-W213 HydrophobicContact CG-CD2 4.27Å; L193-W213 HydrophobicContact CG-CE3 4.43Å; L193-W213 VanDerWaalsContact O-CZ3 3.22Å; L193-W213 WeakPolarHBondContact O-CZ3 3.41Å
194S94.5Very high94.2Very high93 Ų9362 Ų6265%0.6532%0.324SS*.Hα-helixtrans-89.8-29.3176.258.10000114.2R190 H191R190-S194 PolarHBondContact O-N 2.71Å; R190-S194 PolarHBondContact O-OG 3.4Å; H191-S194 PolarHBondContact O-N 3.43Å; H191-S194 PolarHBondContact O-OG 2.85Å
195L95Very high94Very high99 Ų9967.2 Ų67.252%0.51833%0.333SS..Hα-helixtrans-77.1-32.9-177.6-177.9144.7000113.4H191H191-L195 VanDerWaalsContact CE1-CD1 3.48Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.11Å; H191-L195 WeakPolarHBondContact O-CB 3.5Å; H191-L195 PolarHBondContact O-N 2.85Å
196H93.8Very high93.4Very high70 Ų7067.8 Ų67.832%0.32435%0.346SS..  trans-101.4114.3-176.8-69.3-61.9000112.6N192 R198 F199N192-H196 PolarHBondContact O-N 3.02Å; H196-R198 PolarHBondContact O-N 3.35Å; H196-F199 HydrophobicContact CB-CD2 3.87Å; H196-F199 HydrophobicContact CB-CE2 3.92Å; H196-F199 PolarHBondContact O-N 3.05Å
197S92.3Very high92Very high105 Ų10573 Ų7373%0.73438%0.381SS*.THydrogen-bonded Turntrans-63.20.1174.257.70000115.8F199 N216S197-F199 VanDerWaalsContact C-N 3.26Å; S197-N216 PolarHBondContact O-ND2 2.72Å; S197-N216 VanDerWaalsContact O-ND2 3.16Å
198R93.8Very high91Very high93 Ų9372.7 Ų72.735%0.35140%0.4SS..THydrogen-bonded Turntrans-67.8-26.6162.4180178.6-70.4158.71.6111.5H196 I215 N216 G219H196-R198 PolarHBondContact O-N 3.35Å; R198-I215 HydrophobicContact CG-CG2 4.12Å; R198-I215 CarbonylContact O-C 3.58Å; R198-I215 WeakPolarHBondContact O-CA 3.18Å; R198-N216 VanDerWaalsContact O-CB 3.3Å; R198-N216 WeakPolarHBondContact O-CB 3.44Å; R198-N216 PolarHBondContact O-N 3.31Å; R198-G219 PolarHBondContact NE-O 3.45Å
199F96.2Very high90.3Very high11 Ų1177.9 Ų77.95%0.04842%0.419CS..EExtended strand (participates in β ladder)trans-99.4134.5177.4-51.5-57.8000110.2A142 I145 I149 N192 L193 H196 S197 W213 M214 I215A142-F199 HydrophobicContact CB-CE2 4.32Å; A142-F199 HydrophobicContact CB-CZ 4.42Å; A142-F199 WeakPolarHBondContact O-CZ 3.42Å; I145-F199 HydrophobicContact CB-CE1 4.15Å; I145-F199 HydrophobicContact CB-CE2 4.44Å; I145-F199 HydrophobicContact CB-CZ 3.85Å; I145-F199 HydrophobicContact CG2-CD1 3.94Å; I145-F199 HydrophobicContact CG2-CE1 3.48Å; I145-F199 VanDerWaalsContact CG2-CE1 3.48Å; I145-F199 HydrophobicContact CG2-CE2 4.14Å; I145-F199 HydrophobicContact CG2-CG 4.46Å; I145-F199 HydrophobicContact CG2-CZ 3.6Å; I149-F199 HydrophobicContact CD1-CD1 4.02Å; I149-F199 HydrophobicContact CD1-CE1 4.31Å; N192-F199 WeakPolarHBondContact O-CD2 3.41Å; L193-F199 HydrophobicContact CD2-CB 4.16Å; L193-F199 HydrophobicContact CD2-CD1 4.42Å; L193-F199 HydrophobicContact CD2-CD2 4.24Å; L193-F199 HydrophobicContact CD2-CG 3.99Å; H196-F199 HydrophobicContact CB-CD2 3.87Å; H196-F199 HydrophobicContact CB-CE2 3.92Å; H196-F199 PolarHBondContact O-N 3.05Å; S197-F199 VanDerWaalsContact C-N 3.26Å; F199-W213 HydrophobicContact CB-CE3 4.18Å; F199-W213 HydrophobicContact CB-CZ3 4.45Å; F199-M214 WeakPolarHBondContact CA-O 3.47Å; F199-I215 HydrophobicContact CE1-CG1 4.49Å
200I94.8Very high90.1Very high57 Ų5780.7 Ų80.729%0.29244%0.438SS..EExtended strand (participates in β ladder)trans-119.4132.7174.351.3173.5000109.3V202 W213 M214 N216I200-V202 HydrophobicContact CD1-CG2 4.45Å; I200-W213 WeakPolarHBondContact O-CA 3.39Å; I200-M214 HydrophobicContact CD1-CB 4.38Å; I200-M214 HydrophobicContact CD1-CE 3.89Å; I200-M214 HydrophobicContact CG1-CB 3.99Å; I200-M214 WeakPolarHBondContact CG1-O 3.29Å; I200-M214 PolarHBondContact N-O 3.12Å; I200-M214 PolarHBondContact O-N 2.7Å; I200-N216 HydrophobicContact CG2-CB 4.12Å
201R95.5Very high90Very high149 Ų14976.9 Ų76.956%0.56243%0.427SS*.EExtended strand (participates in β ladder)trans-87.9114.2172.4-171.1-178.468.486.50.1108.6S211 W212 W213R201-S211 PolarHBondContact NH1-OG 3.21Å; R201-W212 CarbonylContact C-O 3.59Å; R201-W212 WeakPolarHBondContact CA-O 3.3Å; R201-W213 HydrophobicContact CB-CD2 4.41Å; R201-W213 HydrophobicContact CB-CE3 4.02Å; R201-W213 HydrophobicContact CB-CH2 3.88Å; R201-W213 HydrophobicContact CB-CZ2 4.24Å; R201-W213 HydrophobicContact CB-CZ3 3.76Å; R201-W213 HydrophobicContact CG-CH2 4.32Å; R201-W213 HydrophobicContact CG-CZ2 4.18Å
202V94Very high90Very high53 Ų5373.4 Ų73.432%0.32141%0.41SS..EExtended strand (participates in β ladder)trans-104.7135.7174.3178.60000108.3I200 S211 W212 M214I200-V202 HydrophobicContact CD1-CG2 4.45Å; V202-S211 CarbonylContact O-C 3.58Å; V202-S211 WeakPolarHBondContact O-CB 3.45Å; V202-W212 HydrophobicContact CB-CB 4.33Å; V202-W212 PolarHBondContact N-O 3.26Å; V202-W212 PolarHBondContact O-N 3.1Å; V202-M214 HydrophobicContact CB-SD 4.35Å; V202-M214 HydrophobicContact CG2-CE 3.74Å; V202-M214 HydrophobicContact CG2-CG 4.07Å; V202-M214 HydrophobicContact CG2-SD 3.92Å
203Q92.8Very high89.9Confident100 Ų10074.5 Ų74.547%0.46741%0.413SS..  trans-65.5148.5178.4-174.544.740.500110.2S211Q203-S211 PolarHBondContact OE1-OG 3.16Å
204N88.4Confident89.9Confident17 Ų1777 Ų779%0.09143%0.425CS..  trans-88.5143.5175.7-152.8-26.6000109.4G206 K209 S210 W212N204-G206 PolarHBondContact O-N 3.13Å; N204-G206 VanDerWaalsContact O-N 3.15Å; N204-K209 HydrophobicContact CB-CB 4.36Å; N204-S210 WeakPolarHBondContact CB-O 3.42Å; N204-S210 PolarHBondContact ND2-O 3.47Å; N204-W212 PolarHBondContact ND2-NE1 3.37Å; N204-W212 PolarHBondContact OD1-NE1 2.88Å
205E85.7Confident89.9Confident165 Ų16574 Ų7477%0.77140%0.401SS*.SBendtrans-60.7-25.2-175.9-47.3-51.8133.800113
206G78.2Confident89.8Confident32 Ų3271.2 Ų71.233%0.3339%0.387SS..SBendtrans-91.4120.2174.400000112.4N204 G208 K209N204-G206 PolarHBondContact O-N 3.13Å; N204-G206 VanDerWaalsContact O-N 3.15Å; G206-G208 PolarHBondContact O-N 3.12Å; G206-K209 WeakPolarHBondContact O-CB 3.44Å; G206-K209 PolarHBondContact O-N 3.26Å
207T65.2Low89.4Confident151 Ų15172 Ų7293%0.92640%0.399SS*.THydrogen-bonded Turntrans-49.7132.7168.9-50.50000110.7K209T207-K209 PolarHBondContact O-N 3.18Å
208G72.4Confident88.4Confident84 Ų8473.8 Ų73.887%0.86640%0.395SS*.THydrogen-bonded Turntrans79.2-14.3-177.100000115.9G206G206-G208 PolarHBondContact O-N 3.12Å
209K82.2Confident86.9Confident135 Ų13571 Ų7159%0.58740%0.395SS*.SBendtrans-81.4141178.2-158168.9-172.9171.20111.2N204 G206 T207 S211N204-K209 HydrophobicContact CB-CB 4.36Å; G206-K209 WeakPolarHBondContact O-CB 3.44Å; G206-K209 PolarHBondContact O-N 3.26Å; T207-K209 PolarHBondContact O-N 3.18Å; K209-S211 PolarHBondContact O-N 3.08Å
210S90.9Very high85.2Confident58 Ų5872.2 Ų72.241%0.40641%0.411SS..PPolyproline II helixtrans-53.8132.2-177.462.80000112.5T158 N204T158-S210 WeakPolarHBondContact CB-OG 3.45Å; T158-S210 WeakPolarHBondContact CG2-OG 3.4Å; N204-S210 WeakPolarHBondContact CB-O 3.42Å; N204-S210 PolarHBondContact ND2-O 3.47Å
211S94.8Very high83.5Confident21 Ų2177.8 Ų77.815%0.14743%0.433CS..PPolyproline II helixtrans-53.5149.7175.6-53.80000112.7R201 V202 Q203 K209R201-S211 PolarHBondContact NH1-OG 3.21Å; V202-S211 CarbonylContact O-C 3.58Å; V202-S211 WeakPolarHBondContact O-CB 3.45Å; Q203-S211 PolarHBondContact OE1-OG 3.16Å; K209-S211 PolarHBondContact O-N 3.08Å
212W95.5Very high81.3Confident31 Ų3173.1 Ų73.112%0.11743%0.431CS..EExtended strand (participates in β ladder)trans-77.7143.6169.6-64.7110.3000110.8R156 T158 R201 V202 N204R156-W212 HydrophobicContact CB-CB 4.38Å; R156-W212 HydrophobicContact CB-CD2 4.46Å; R156-W212 HydrophobicContact CB-CE3 4.1Å; R156-W212 HydrophobicContact CG-CD2 4.12Å; R156-W212 HydrophobicContact CG-CE3 3.78Å; R156-W212 HydrophobicContact CG-CZ3 4.17Å; T158-W212 HydrophobicContact CG2-CD2 4.37Å; T158-W212 HydrophobicContact CG2-CE3 3.8Å; T158-W212 HydrophobicContact CG2-CH2 4.13Å; T158-W212 HydrophobicContact CG2-CZ3 3.67Å; R201-W212 CarbonylContact C-O 3.59Å; R201-W212 WeakPolarHBondContact CA-O 3.3Å; V202-W212 HydrophobicContact CB-CB 4.33Å; V202-W212 PolarHBondContact N-O 3.26Å; V202-W212 PolarHBondContact O-N 3.1Å; N204-W212 PolarHBondContact ND2-NE1 3.37Å; N204-W212 PolarHBondContact OD1-NE1 2.88Å
213W96.8Very high79.1Confident38 Ų3874.1 Ų74.114%0.14445%0.453CS..EExtended strand (participates in β ladder)trans-110.8126.4165.6-68.697.7000108.7I149 R156 L157 I162 L193 F199 I200 R201I149-W213 HydrophobicContact CD1-CB 4.33Å; R156-W213 WeakPolarHBondContact CA-O 3.2Å; L157-W213 PolarHBondContact N-O 3.2Å; L157-W213 PolarHBondContact O-N 3.02Å; I162-W213 HydrophobicContact CD1-CB 4.04Å; I162-W213 HydrophobicContact CD1-CG 4.39Å; L193-W213 HydrophobicContact CB-CD2 4.19Å; L193-W213 HydrophobicContact CB-CE3 4.04Å; L193-W213 HydrophobicContact CB-CH2 3.84Å; L193-W213 HydrophobicContact CB-CZ2 4.01Å; L193-W213 HydrophobicContact CB-CZ3 3.86Å; L193-W213 HydrophobicContact CD1-CD2 4.14Å; L193-W213 HydrophobicContact CD1-CG 4.23Å; L193-W213 HydrophobicContact CD1-CZ2 4.47Å; L193-W213 HydrophobicContact CD2-CB 4.12Å; L193-W213 HydrophobicContact CD2-CD2 3.8Å; L193-W213 HydrophobicContact CD2-CE3 3.85Å; L193-W213 HydrophobicContact CD2-CG 3.93Å; L193-W213 HydrophobicContact CD2-CZ3 4.49Å; L193-W213 HydrophobicContact CG-CD2 4.27Å; L193-W213 HydrophobicContact CG-CE3 4.43Å; L193-W213 VanDerWaalsContact O-CZ3 3.22Å; L193-W213 WeakPolarHBondContact O-CZ3 3.41Å; F199-W213 HydrophobicContact CB-CE3 4.18Å; F199-W213 HydrophobicContact CB-CZ3 4.45Å; I200-W213 WeakPolarHBondContact O-CA 3.39Å; R201-W213 HydrophobicContact CB-CD2 4.41Å; R201-W213 HydrophobicContact CB-CE3 4.02Å; R201-W213 HydrophobicContact CB-CH2 3.88Å; R201-W213 HydrophobicContact CB-CZ2 4.24Å; R201-W213 HydrophobicContact CB-CZ3 3.76Å; R201-W213 HydrophobicContact CG-CH2 4.32Å; R201-W213 HydrophobicContact CG-CZ2 4.18Å
214M95.4Very high77.1Confident54 Ų5479.1 Ų79.127%0.26647%0.473SS..EExtended strand (participates in β ladder)trans-125.9158.8-179.9-35-163.6-44.700109.9R156 F199 I200 V202R156-M214 HydrophobicContact CB-CB 4.48Å; R156-M214 HydrophobicContact CB-CG 3.7Å; R156-M214 HydrophobicContact CB-SD 3.9Å; F199-M214 WeakPolarHBondContact CA-O 3.47Å; I200-M214 HydrophobicContact CD1-CB 4.38Å; I200-M214 HydrophobicContact CD1-CE 3.89Å; I200-M214 HydrophobicContact CG1-CB 3.99Å; I200-M214 WeakPolarHBondContact CG1-O 3.29Å; I200-M214 PolarHBondContact N-O 3.12Å; I200-M214 PolarHBondContact O-N 2.7Å; V202-M214 HydrophobicContact CB-SD 4.35Å; V202-M214 HydrophobicContact CG2-CE 3.74Å; V202-M214 HydrophobicContact CG2-CG 4.07Å; V202-M214 HydrophobicContact CG2-SD 3.92Å
215I95.3Very high75.2Confident31 Ų3182.1 Ų82.116%0.15950%0.5CS..EExtended strand (participates in β ladder)trans-79.4128167.3-67.2156.9000107.8T146 I149 E150 R198 F199 P217T146-I215 HydrophobicContact CG2-CD1 3.78Å; T146-I215 HydrophobicContact CG2-CG1 4.46Å; I149-I215 HydrophobicContact CB-CD1 3.88Å; I149-I215 HydrophobicContact CB-CG1 4.07Å; I149-I215 HydrophobicContact CD1-CG1 4.31Å; I149-I215 HydrophobicContact CG2-CD1 3.84Å; I149-I215 HydrophobicContact CG2-CG1 3.85Å; E150-I215 HydrophobicContact CG-CD1 3.5Å; R198-I215 HydrophobicContact CG-CG2 4.12Å; R198-I215 CarbonylContact O-C 3.58Å; R198-I215 WeakPolarHBondContact O-CA 3.18Å; F199-I215 HydrophobicContact CE1-CG1 4.49Å; I215-P217 WeakPolarHBondContact O-CD 3.12Å
216N91.6Very high73.4Confident41 Ų4179.4 Ų79.422%0.21950%0.497CS..  trans-59.3115.2170.1-176.2-9.3000109.1S197 R198 I200 E218 G219 G220S197-N216 PolarHBondContact O-ND2 2.72Å; S197-N216 VanDerWaalsContact O-ND2 3.16Å; R198-N216 VanDerWaalsContact O-CB 3.3Å; R198-N216 WeakPolarHBondContact O-CB 3.44Å; R198-N216 PolarHBondContact O-N 3.31Å; I200-N216 HydrophobicContact CG2-CB 4.12Å; N216-E218 VanDerWaalsContact C-N 3.26Å; N216-E218 PolarHBondContact O-N 3.4Å; N216-E218 WeakPolarHBondContact OD1-CB 3.43Å; N216-E218 PolarHBondContact OD1-N 3.07Å; N216-G219 CarbonylContact O-C 3.35Å; N216-G219 PolarHBondContact O-N 3.37Å; N216-G220 PolarHBondContact O-N 3.05Å
217P85.4Confident72.4Confident87 Ų8789.6 Ų89.657%0.56553%0.525SS*.G310 helixtrans-58.9-40.6-176.522.5-32.3000111.6I215 G219 G220I215-P217 WeakPolarHBondContact O-CD 3.12Å; P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.09Å; P217-G220 PolarHBondContact O-N 3.47Å
218E71.1Confident72Confident142 Ų14292.1 Ų92.166%0.66452%0.518SS*.G310 helixtrans-64.3-29.4177.1-50.8-52114.700112.7N216N216-E218 VanDerWaalsContact C-N 3.26Å; N216-E218 PolarHBondContact O-N 3.4Å; N216-E218 WeakPolarHBondContact OD1-CB 3.43Å; N216-E218 PolarHBondContact OD1-N 3.07Å
219G62.6Low71.2Confident34 Ų3499.2 Ų99.235%0.35152%0.518SS..G310 helixtrans-93.10.4-179.500000114.9R198 N216 P217R198-G219 PolarHBondContact NE-O 3.45Å; N216-G219 CarbonylContact O-C 3.35Å; N216-G219 PolarHBondContact O-N 3.37Å; P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.09Å
220G61.8Low69.9Low37 Ų3797.8 Ų97.838%0.38153%0.532SS..THydrogen-bonded Turntrans-100-59.2-175.800000113.8N216 P217N216-G220 PolarHBondContact O-N 3.05Å; P217-G220 PolarHBondContact O-N 3.47Å
221K57.6Low68.1Low173 Ų173100 Ų10075%0.75254%0.543SS*.THydrogen-bonded Turntrans-136.8-4.7-163.5-60.3-179.7-175.2170.20114.7E150E150-K221 WeakPolarHBondContact OE1-CE 3.4Å; E150-K221 IonicContact OE1-NZ 3.86Å; E150-K221 PolarHBondContact OE1-NZ 2.71Å
222G49Very low65.9Low51 Ų51104.2 Ų104.253%0.52657%0.572SS.*SBendtrans-75.8122.5167.700000111.5
223G48.4Very low63.8Low75 Ų75111 Ų11177%0.77361%0.608SS**THydrogen-bonded Turntrans-70129.9-177.600000113.1A225G223-A225 PolarHBondContact O-N 2.73Å
224K49.9Very low61.6Low205 Ų205115.5 Ų115.589%0.89163%0.634SS**THydrogen-bonded Turntrans42.763.9170.3-63.2-179.5-180176.30113.9P226K224-P226 VanDerWaalsContact O-CD 3.22Å; K224-P226 WeakPolarHBondContact O-CD 3.18Å
225A48.6Very low59Low80 Ų80120 Ų12066%0.66166%0.659SS**  trans-42.6112.5172.700000110.7G223 R227G223-A225 PolarHBondContact O-N 2.73Å; A225-R227 PolarHBondContact O-N 3.17Å
226P48.6Very low56.8Low108 Ų108123 Ų12370%0.70168%0.683SS**  trans-61.1129.4-175.2-25.735.2000109.6K224 R228K224-P226 VanDerWaalsContact O-CD 3.22Å; K224-P226 WeakPolarHBondContact O-CD 3.18Å; P226-R228 PolarHBondContact O-N 2.93Å
227R58.1Low54.5Low246 Ų246128.3 Ų128.393%0.92871%0.711SS**  trans-67.380.4171.5-176.6-176.2-75.3160.2-5.4108.3A225 R229A225-R227 PolarHBondContact O-N 3.17Å; R227-R229 PolarHBondContact O-N 2.89Å
228R56.3Low52.5Low203 Ų203130.8 Ų130.877%0.76671%0.713SS**PPolyproline II helixtrans-57.2126.8176.5-65.6-175.873.2-170.61.6107.3P226P226-R228 PolarHBondContact O-N 2.93Å
229R54.5Low50.9Low233 Ų233133 Ų13388%0.87972%0.717SS**PPolyproline II helixtrans-57.3143.4165.1-63.7-178.5178.595.5-2.2107.4R227 V231R227-R229 PolarHBondContact O-N 2.89Å; R229-V231 PolarHBondContact O-N 3.01Å; R229-V231 VanDerWaalsContact O-N 3.14Å
230A55.6Low49.8Very low106 Ų106138 Ų13888%0.87674%0.741SS**PPolyproline II helixtrans-56.2121.9-17800000109.9
231V52.4Low48.9Very low104 Ų104146.1 Ų146.163%0.6377%0.766SS**PPolyproline II helixtrans-81.8131.1159.9-71.30000106.8R229 M233R229-V231 PolarHBondContact O-N 3.01Å; R229-V231 VanDerWaalsContact O-N 3.14Å; V231-M233 PolarHBondContact O-N 3.05Å
232S50.5Low47.9Very low110 Ų110143.2 Ų143.277%0.76977%0.768SS**PPolyproline II helixtrans-62.7131.3170.4-173.30000108.5
233M51.2Low47.6Very low174 Ų174146.2 Ų146.286%0.85779%0.787SS**  trans-93.5100.3166.4-80.8179.958.700108.7V231 N235V231-M233 PolarHBondContact O-N 3.05Å; M233-N235 PolarHBondContact O-N 3.08Å
234D48.9Very low47.3Very low131 Ų131154.4 Ų154.470%0.70180%0.795SS**  trans-69.6106.2165.351.5-65.1000110.3S236D234-S236 PolarHBondContact O-N 3.44Å
235N42.6Very low46.8Very low148 Ų148147.5 Ų147.579%0.79178%0.782SS**  trans-78.883.7-179.3-17917.4000111.6M233 N237M233-N235 PolarHBondContact O-N 3.08Å; N235-N237 VanDerWaalsContact C-N 3.35Å; N235-N237 PolarHBondContact O-N 3.16Å; N235-N237 PolarHBondContact OD1-N 3.4Å
236S48.3Very low46.4Very low94 Ų94155.8 Ų155.866%0.65780%0.796SS**  trans-90.534.9177.9600000114.5D234 K238D234-S236 PolarHBondContact O-N 3.44Å; S236-K238 VanDerWaalsContact C-N 3.34Å; S236-K238 PolarHBondContact O-N 2.91Å; S236-K238 VanDerWaalsContact O-N 3.1Å
237N43Very low45.6Very low153 Ų153155.8 Ų155.882%0.81881%0.805SS**  trans-89.864.3178.1-15529.3000114.4N235N235-N237 VanDerWaalsContact C-N 3.35Å; N235-N237 PolarHBondContact O-N 3.16Å; N235-N237 PolarHBondContact OD1-N 3.4Å
238K42.6Very low44.6Very low140 Ų140149 Ų14961%0.60980%0.801SS**  trans-143.7133.3164.159.1-176-177.8170.40106.4S236S236-K238 VanDerWaalsContact C-N 3.34Å; S236-K238 PolarHBondContact O-N 2.91Å; S236-K238 VanDerWaalsContact O-N 3.1Å
239Y38.3Very low43.5Very low187 Ų187144.4 Ų144.473%0.73381%0.807SS**  cis-146.1143.826.5-42.2-101.8000110.8
240T40.5Very low42.5Very low141 Ų141143.2 Ų143.287%0.86581%0.808SS**SBendtrans-129.2154.2146.860.80000109.3
241K41Very low41.5Very low206 Ų206148.3 Ų148.390%0.89681%0.81SS**SBendtrans63.376.1172.5-160.4163.7-173.7169.90118
242S37.8Very low40.5Very low113 Ų113152.6 Ų152.679%0.7982%0.821SS**  trans-16430.2144.439.70000114.6R244S242-R244 PolarHBondContact O-N 2.88Å
243A41.9Very low39.4Very low113 Ų113151.7 Ų151.793%0.93482%0.82SS**  trans-78.453.9-177.900000114.7
244R43.1Very low38.3Very low248 Ų248147.5 Ų147.594%0.93681%0.813SS**  trans-155.6116.9161.5-162.8164.3-174.2123.2-1.1111.6S242S242-R244 PolarHBondContact O-N 2.88Å
245G37.9Very low37.6Very low60 Ų60148.7 Ų148.762%0.61982%0.818SS**SBendtrans12665.3164.100000117.9
246R40.5Very low37.1Very low253 Ų253149.9 Ų149.996%0.95582%0.819SS**  177.396.6126.1-98.9166.5-77.9-170.6-3.5112.3
247A33.1Very low36.1Very low109 Ų109149.5 Ų149.590%0.90182%0.821SS**  trans-128.573.3166.600000109.4
248A36.4Very low35.4Very low102 Ų102149 Ų14984%0.84382%0.824SS**  trans-163.9105.417200000110.5
249A33.3Very low34.9Very low107 Ų107147 Ų14788%0.88483%0.833SS**  trans-151.339.9174.700000112.7
250K34Very low34.4Very low209 Ų209143.1 Ų143.191%0.90984%0.839SS**  trans-158.289.2175.5-152.4173.4-170.8176.90115.6
251K34.3Very low33.9Very low212 Ų212141.5 Ų141.592%0.92284%0.84SS**  -160.6157.4127.8-128.4-178.4179.3-177.20112.4
252K31.9Very low33.6Very low195 Ų195136.9 Ų136.985%0.84884%0.841SS**  trans-111.9154.9177.2179.4-172.1173.9-178.30108.7
253A26.8Very low33.2Very low90 Ų90134.8 Ų134.874%0.74484%0.837SS**  trans87.6147.7157.600000120
254A27.9Very low32.6Very low86 Ų86139.2 Ų139.271%0.71184%0.838SS**  trans96.9121.4145.400000119.3
255L34.6Very low32Very low156 Ų156131.1 Ų131.182%0.81783%0.832SS**  trans71.6151147.1-60.3168.2000117.6
256Q31.3Very low31.7Very low174 Ų174132.5 Ų132.581%0.81385%0.846SS**  cis-154.1163.3-22.7-175.6162.47.800109.5
257A27.6Very low31.2Very low85 Ų85124.3 Ų124.370%0.70284%0.84SS**  trans-77.8-171-171.100000116
258V29.1Very low31.2Very low144 Ų144127 Ų12787%0.87384%0.84SS**  trans88.1108.1168.4-171.30000116.5
259A32.3Very low31.1Very low98 Ų98127.4 Ų127.481%0.8184%0.836SS**  177.889.5122.800000112.1
260A27.9Very low31.1Very low104 Ų104128.1 Ų128.186%0.8683%0.832SS**  trans-162.79816500000111.7
261A29.7Very low31Very low107 Ų107124 Ų12488%0.88483%0.83SS**  trans-178.993.6161.100000112.4
262A33.4Very low31.2Very low110 Ų110117 Ų11791%0.90982%0.817SS**  trans176.7133.715200000108.8
263G30.4Very low31.6Very low68 Ų68113.4 Ų113.470%0.70181%0.814SS**  cis167.3103.2-9.400000111.7
264E29.5Very low32Very low207 Ų207113.7 Ų113.797%0.96781%0.81SS**  trans61.3149.1173-50.9-160.9142.600117.6
265G30.1Very low32.1Very low77 Ų77118.2 Ų118.279%0.79481%0.814SS**  cis177.8168.9-7.400000113.2
266G30.7Very low32.3Very low90 Ų90121.8 Ų121.893%0.92882%0.817SS**  trans96.2131.4170.200000116.2
267G30.7Very low32.8Very low80 Ų80119.7 Ų119.783%0.82582%0.818SS**  trans132.456.4168.800000117.7
268D32.5Very low32.9Very low166 Ų166117.9 Ų117.989%0.88881%0.808SS**  trans65.2164.7162.8-112.6-56.4000120.9
269S34.3Very low32.9Very low110 Ų110114.9 Ų114.977%0.76979%0.793SS**  trans-94146-161.1-63.70000115.5
270P33.4Very low33.4Very low123 Ų123115.2 Ų115.280%0.79979%0.787SS**  trans-102.3151.6-171.238.2-35.1000115.2
271S32.2Very low33.4Very low123 Ų123115.9 Ų115.986%0.8678%0.78SS**  trans-154.672.1149.958.80000112.6
272G39.5Very low33.5Very low64 Ų64115.8 Ų115.866%0.6677%0.773SS**  trans-72.4165.215400000110.8
273P40Very low33.4Very low120 Ų120121.7 Ų121.778%0.77977%0.772SS**  -113.314284.8-8.128000112.7
274S34.7Very low33.4Very low95 Ų95123.9 Ų123.966%0.66478%0.777SS**  64.9134.379.2-61.90000114.5
275K30.1Very low33.6Very low181 Ų181119.8 Ų119.879%0.78777%0.771SS**  cis-166.3144.5-8.4-135.5137.951.8-165.80110.5
276W39.4Very low33.8Very low232 Ų232125.3 Ų125.388%0.87978%0.776SS**  trans-119165.2156.8-78.6101000106.9
277P40.5Very low34Very low130 Ų130130.1 Ų130.184%0.84477%0.774SS**  cis-110-179.417.441.3-31.6000113.9
278G29.5Very low34.2Very low47 Ų47133.9 Ų133.949%0.48578%0.775SS.*  cis150.9126.2-8.500000113.4
279S29.6Very low34.6Very low80 Ų80132.6 Ų132.656%0.55977%0.768SS**  trans65.6154.4166.9-58.10000118.9E3E3-S279 PolarHBondContact OE1-OG 3.13Å; E3-S279 PolarHBondContact OE2-OG 3.07Å
280P43.9Very low34.7Very low106 Ų106131.8 Ų131.869%0.68877%0.768SS**  cis-144.9-179.5-34.838.7-19.9000116.4
281T27.3Very low35Very low117 Ų117137.6 Ų137.672%0.71877%0.774SS**  trans94.898.3145.2-49.10000122.5
282S32.8Very low35.5Very low105 Ų105137.1 Ų137.173%0.73477%0.766SS**  trans64.8125.8133.2-49.30000124.9
283R30.2Very low35.3Very low235 Ų235140.8 Ų140.889%0.88777%0.771SS**  159.5162.9109-84.2-173.481.6155.34.8113.8
284S31.3Very low35Very low114 Ų114144.7 Ų144.780%0.79778%0.776SS**  trans73.3134.7176.93.10000115.2
285S31.8Very low35.2Very low121 Ų121151.2 Ų151.285%0.84679%0.786SS**  cis92.672.620.7-172.40000114.8
286E34.8Very low35.4Very low192 Ų192148.4 Ų148.490%0.89779%0.789SS**  trans-148.377.5175.1-170.1161.8-155.900111
287E35.9Very low35.3Very low191 Ų191148.8 Ų148.889%0.89379%0.79SS**  trans-151.773.5170.2-165.8-168.4175.500110.1
288L35.1Very low35Very low160 Ų160148.6 Ų148.684%0.83879%0.787SS**  trans-153.9-12.9174.1-156.155.5000116.2A290L288-A290 PolarHBondContact O-N 3.35Å
289D39.7Very low35.3Very low138 Ų138154.5 Ų154.574%0.73881%0.807SS**G310 helixtrans-85.30-172.7-79.6-63.8000115.6W291D289-W291 PolarHBondContact O-N 3.47Å; D289-W291 VanDerWaalsContact O-N 3.12Å
290A37.8Very low35.5Very low94 Ų94155.8 Ų155.878%0.77782%0.816SS**G310 helixtrans-71.7-1.7-175.900000116L288L288-A290 PolarHBondContact O-N 3.35Å
291W38.3Very low35.4Very low245 Ų245159 Ų15993%0.92883%0.827SS**G310 helixtrans-127.925.2-167.4-81.685.4000115.8D289D289-W291 PolarHBondContact O-N 3.47Å; D289-W291 VanDerWaalsContact O-N 3.12Å
292T43Very low35.6Very low113 Ų113158.2 Ų158.269%0.69383%0.833SS**  trans-118.5-20.8179.762.30000116.9F294T292-F294 PolarHBondContact O-N 2.92Å
293D36.3Very low35.7Very low141 Ų141158.5 Ų158.575%0.75484%0.835SS**  trans-85.862.7-175.7-168.928.2000114.9
294F32.3Very low35.9Very low201 Ų201153.6 Ų153.688%0.88283%0.831SS**SBendtrans-148.560.9158.2-86.2-58.4000113.5T292T292-F294 PolarHBondContact O-N 2.92Å
295R39.7Very low36.2Very low233 Ų233156.9 Ų156.988%0.87984%0.839SS**SBendtrans164.591.9133.2-88158.6-164.2-80.1-2.8112.7
296S34.9Very low36.3Very low121 Ų121157.1 Ų157.185%0.84684%0.841SS**  trans-152.795.6149.8-83.50000109.6
297R36.8Very low36.2Very low241 Ų241151 Ų15191%0.90983%0.829SS**  trans-131.9150.6176.3-96-171.7167.7-152.7-3.4110.9
298T34.1Very low36.3Very low126 Ų126153.2 Ų153.277%0.77383%0.829SS**  trans59.578.7175.864.30000116.9
299N36Very low36.3Very low171 Ų171153 Ų15391%0.91483%0.828SS**  trans-82.1133.9133.2-84.13.2000107.7
300S34.8Very low36.3Very low106 Ų106151.7 Ų151.774%0.74183%0.83SS**  trans-150.7129.7172.6-680000110
301N39.8Very low36.9Very low174 Ų174153 Ų15393%0.9383%0.83SS**  trans-80.5136.9175.8-70.8-37.3000110.4
302A32.1Very low36.7Very low101 Ų101148.2 Ų148.284%0.83582%0.821SS**  trans-145.6148.2163.400000109.1
303S34.6Very low36.2Very low110 Ų110150.5 Ų150.577%0.76983%0.828SS**  trans-103.1162.5-156.3-57.30000115.7
304T36Very low36.1Very low132 Ų132147.9 Ų147.981%0.8183%0.826SS**  trans-24.913516153.20000117.1
305L36.4Very low36.1Very low183 Ų183145.8 Ų145.896%0.95883%0.825SS**  trans-134157.7151.4-78.4178.8000110.9
306S35.1Very low37Very low127 Ų127139.6 Ų139.689%0.88882%0.815SS**  trans-101.8158-162.9179.80000113.7
307G32.5Very low36.8Very low64 Ų64142.2 Ų142.266%0.6681%0.813SS**  trans178.758.5172.600000121.3
308R37.2Very low36.9Very low237 Ų237137.9 Ų137.989%0.89481%0.807SS**  trans69155.9157.2-53.8177.6166.4-168.2-6.4116.3
309L34.2Very low37Very low156 Ų156137.9 Ų137.982%0.81780%0.802SS**  cis-131.6168.92.6-75.9172.4000111.3
310S41.4Very low36.9Very low109 Ų109137.7 Ų137.776%0.76280%0.796SS**  trans-142147.7161-51.90000111.1
311P49.3Very low37.3Very low121 Ų121138.4 Ų138.479%0.78680%0.796SS**  trans-129.7115.8141.421.4-2.6000110.7
312I34.7Very low38.1Very low146 Ų146135.3 Ų135.375%0.74979%0.785SS**  78.5101.877-63.7159.6000114.4
313L33.2Very low38.2Very low160 Ų160138.1 Ų138.184%0.83879%0.786SS**  -173.1119.3128.7-11884.7000105.2
314A33.8Very low38.3Very low86 Ų86139.8 Ų139.871%0.71179%0.787SS**  59.3130.97400000113.6
315N32.7Very low38.4Very low158 Ų158141.7 Ų141.785%0.84579%0.786SS**  cis-155.2-148.5-10.8-147.816000108.7
316P56.9Low39.4Very low103 Ų103137.6 Ų137.667%0.66977%0.771SS**  trans-125.9179.3-147.741.9-20.9000116.7
317E31.2Very low40.2Very low176 Ų176136.9 Ų136.982%0.82276%0.763SS**  trans-174.6138.1142-99.2170.5152.400106.9
318L39.3Very low40.2Very low150 Ų150141.4 Ų141.479%0.78577%0.771SS**  55.9136.381.8-61.4171000112.9
319D36.1Very low40.3Very low125 Ų125135.9 Ų135.967%0.66877%0.769SS**  cis-144.4156.415.8-132.820000109.3
320E34.6Very low40.8Very low168 Ų168134.7 Ų134.779%0.78577%0.771SS**  33.8141.689.2-57.7-147.9118.300115.8
321V42Very low40.7Very low121 Ų121137.5 Ų137.573%0.73377%0.774SS**  cis-157.3168.21.3107.40000108.9
322P57Low40Very low109 Ų109137.6 Ų137.671%0.70877%0.766SS**  trans-98.2171.8-169.739.6-37000116.2
323D34.5Very low39.8Very low159 Ų159140.5 Ų140.585%0.8577%0.769SS**  trans-177.5155.4160.9-111.3-156000107.9
324D35.8Very low39.8Very low146 Ų146137 Ų13778%0.78176%0.758SS**  cis-156.9-171.7-27.4-158.4-8.5000108.9
325E38.1Very low39.8Very low172 Ų172138.4 Ų138.480%0.80476%0.763SS**  trans-63.7161.2-168.6-103.1-136.7114.300118.5
326P58.6Low40.5Very low97 Ų97137.4 Ų137.463%0.6377%0.765SS**  trans-82.4-176.4176.339.6-38000112.1
327P51Low39.5Very low111 Ų111135.8 Ų135.872%0.72177%0.767SS**  -158.3-177.59839-18.1000117.2
328L32.3Very low39.9Very low160 Ų160137.8 Ų137.884%0.83877%0.773SS**  trans73.5115.1159.1-52.7-175.5000120.9
329S38.9Very low39.8Very low121 Ų121135.1 Ų135.185%0.84677%0.772SS**  trans-80.9147.7149.4-50.10000111.2
330P46.4Very low39.8Very low131 Ų131136.9 Ų136.985%0.85178%0.781SS**  trans-125.5168.914236.4-27.3000112.4
331M39.3Very low39.8Very low168 Ų168133.6 Ų133.683%0.82878%0.776SS**  trans-123.8159.7-166.6-146.5172.876.400111.6
332I34.5Very low40.7Very low123 Ų123133.7 Ų133.763%0.63178%0.779SS**  trans87.3109.2159.5-61.3-63.4000120.4
333Y30.1Very low39.4Very low206 Ų206132 Ų13281%0.80878%0.782SS**  trans87.5115137.9-91.1-129.4000125.9
334S31.8Very low39.3Very low88 Ų88134 Ų13462%0.61578%0.783SS**  74.7102.6121.9-62.30000124.8
335S35.5Very low39.2Very low114 Ų114133 Ų13380%0.79778%0.783SS**  55.5131.5124.6-53.10000124.3
336P47Very low39Very low138 Ų138133 Ų13390%0.89679%0.788SS**  trans-104.9172.814837.7-29.8000113.3
337G35.8Very low37.9Very low68 Ų68132 Ų13270%0.70180%0.796SS**  trans-171-153.1-178.800000116.2
338K39.6Very low37.2Very low218 Ų218136.8 Ų136.895%0.94881%0.805SS**  trans86.4141.5-166.3-61.8179.9172.8178.40113.7
339A37Very low37.1Very low94 Ų94133 Ų13378%0.77780%0.797SS**  cis-137.2-157.1300000110.1
340L36.3Very low36.9Very low162 Ų162133.8 Ų133.885%0.84880%0.796SS**  cis-150.6-140.15.6-141.6178.2000110.4
341S34.2Very low37.3Very low99 Ų99132.4 Ų132.469%0.69279%0.787SS**  trans-170.9177.8-174.3-123.40000112.1
342P61.5Low37Very low123 Ų123130.6 Ų130.680%0.79979%0.786SS**  cis-137171.1-6.239.5-22.8000116.5
343G29.9Very low37.1Very low74 Ų74132.9 Ų132.976%0.76379%0.794SS**  trans146.7102.2144.100000122.1
344K31.6Very low37.5Very low200 Ų200130.1 Ų130.187%0.8779%0.792SS**  trans76.7133149.8-67.1-175.6176.4179.30123.2
345T34.8Very low38.3Very low127 Ų127132.1 Ų132.178%0.77980%0.803SS**  trans67.2106.4150.348.40000122.7
346N32.8Very low38.4Very low172 Ų172138.2 Ų138.292%0.9281%0.809SS**  trans26.4143.3140.9-64.6-1.3000122.4
347G35.1Very low38.1Very low76 Ų76140.4 Ų140.478%0.78481%0.812SS**  trans151.815.5150.100000121.9
348K36Very low38.4Very low211 Ų211141.4 Ų141.492%0.91781%0.813SS**  trans-18.2140.8177-167.1-179.3-176.4-175.70118.9
349A31.5Very low38.4Very low81 Ų81138.6 Ų138.667%0.66981%0.809SS**  trans-130.6163.9177.900000114.4
350V35.3Very low39.2Very low136 Ų136142.8 Ų142.882%0.82482%0.817SS**  trans70.7143.9155.5163.70000117.8
351P54.4Low39.3Very low103 Ų103139.2 Ų139.267%0.66981%0.811SS**  cis-141.7-147.2-31.642.8-21.5000113.9
352T33.1Very low39.4Very low129 Ų129141.5 Ų141.579%0.79182%0.816SS**  trans88.7173156.225.10000121.6
353E35.2Very low38.4Very low171 Ų171142.3 Ų142.380%0.79982%0.818SS**  trans-109.4164.2-139.2-56.1-177.7140.900118.8
354L38.4Very low38.6Very low149 Ų149146.6 Ų146.678%0.7882%0.821SS**  trans32.5117.9146.5-68.8171.6000121.6
355P48.4Very low38.7Very low130 Ų130143 Ų14384%0.84481%0.811SS**  trans-75.2157160.1-10.227.5000113.3
356R37.6Very low39.2Very low242 Ų242143.8 Ų143.891%0.91381%0.809SS**  trans-111.4157.4171.7-78.9-169.8175.7-169.90.3112.5A358R356-A358 PolarHBondContact O-N 2.91Å
357L42.5Very low39.4Very low184 Ų184142.2 Ų142.296%0.96380%0.801SS**SBendtrans-68.3101.7174-63.9166.4000111.3
358A41.1Very low39.5Very low88 Ų88145.4 Ų145.473%0.72780%0.8SS**  trans-156.718.9177.400000116.2R356R356-A358 PolarHBondContact O-N 2.91Å
359D40.5Very low39.6Very low159 Ų159138.9 Ų138.985%0.8579%0.792SS**  trans-136.324.2-166.9-99.8-38.5000115.9
360L53.9Low40.1Very low182 Ų182143.5 Ų143.595%0.95380%0.804SS**  trans-133.458.8178.6-69.5174.3000112.7
361A37.9Very low40.8Very low87 Ų87141.7 Ų141.772%0.71980%0.803SS**  trans-129136.1169.200000110.1
362N35.4Very low40.6Very low148 Ų148144.2 Ų144.279%0.79181%0.806SS**  trans68.4129.3-160-48.6-32.3000111.7
363T40Very low41.1Very low140 Ų140144.3 Ų144.386%0.85980%0.802SS**  cis-121.1139.628.852.80000116.2
364M35.3Very low42Very low164 Ų164143.9 Ų143.981%0.80880%0.804SS**  trans-52.9162.7150.1-84.2179-73.200112.3
365N33.5Very low42.7Very low125 Ų125144.5 Ų144.567%0.66881%0.805SS**  cis-171.3152.4-0.2153.4-75.7000109.6
366L44.7Very low42.8Very low143 Ų143143.5 Ų143.575%0.74979%0.793SS**  trans31.6127.7163.7-58169.5000121.4
367N37.4Very low43.2Very low138 Ų138138.1 Ų138.174%0.73878%0.782SS**  -161.9164.195.3-151.366.2000113
368D36.7Very low43.5Very low144 Ų144137.9 Ų137.977%0.7777%0.773SS**  trans-35145.9-173.4-53.8-53.1000120.4
369G38.4Very low44.2Very low73 Ų73140.2 Ų140.275%0.75377%0.773SS**  117.449.211300000121.7
370I43.3Very low44.5Very low178 Ų178139.8 Ų139.891%0.91377%0.771SS**  trans-147.8121.1148.128.3172.9000110.8
371A49.7Very low43.9Very low98 Ų98137.7 Ų137.781%0.8176%0.761SS**  trans-130.979.5174.800000109.1
372Q48.7Very low44.4Very low156 Ų156140.3 Ų140.373%0.72976%0.761SS**  trans-155.8-175.2169.7-152.270.99.800106.7L374Q372-L374 PolarHBondContact O-N 3.11Å
373D45.3Very low44.5Very low132 Ų132142.1 Ų142.171%0.70676%0.762SS**SBendtrans65.5-14.4168.4-47.4-13.7000117.9
374L52.5Low44.3Very low161 Ų161143.4 Ų143.484%0.84376%0.763SS**THydrogen-bonded Turntrans-93.68.6-176.8-119.2168000115Q372Q372-L374 PolarHBondContact O-N 3.11Å
375M53.4Low44.2Very low162 Ų162142.5 Ų142.580%0.79877%0.766SS**THydrogen-bonded Turntrans-114.9-10.8173.2-66.6-161-63.100114
376D50.4Low44.4Very low109 Ų109141.4 Ų141.458%0.58377%0.765SS**THydrogen-bonded Turntrans-85.1-36.8-176.5-58-75.9000112.5F378 L379D376-F378 PolarHBondContact O-N 2.9Å; D376-L379 PolarHBondContact O-N 3.29Å; D376-L379 VanDerWaalsContact O-N 3.17Å
377D46.8Very low43.7Very low129 Ų129141 Ų14169%0.6977%0.769SS**THydrogen-bonded Turntrans-62.9-11.3-178.9-164.750.2000114.2
378F49.4Very low43.3Very low179 Ų179140 Ų14079%0.78577%0.768SS**THydrogen-bonded Turntrans-93.1-9.6179.7-134.9-89.5000114.7D376D376-F378 PolarHBondContact O-N 2.9Å
379L54.7Low42.9Very low137 Ų137138.7 Ų138.772%0.71777%0.769SS**THydrogen-bonded Turntrans-95.8-34.8-179.8-99.469.8000113.8D376 N381D376-L379 PolarHBondContact O-N 3.29Å; D376-L379 VanDerWaalsContact O-N 3.17Å; L379-N381 VanDerWaalsContact C-N 3.33Å; L379-N381 PolarHBondContact O-N 3.17Å
380D47.8Very low42.4Very low150 Ų150140.7 Ų140.780%0.80277%0.772SS**THydrogen-bonded Turntrans-75.4-17.6-173.3-84.9-12.8000114.2I382D380-I382 PolarHBondContact O-N 2.9Å; D380-I382 VanDerWaalsContact O-N 3.12Å
381N40.5Very low41.9Very low139 Ų139139.7 Ų139.774%0.74376%0.763SS**THydrogen-bonded Turntrans-72.31.3177.8-100.6-70.2000114.9L379L379-N381 VanDerWaalsContact C-N 3.33Å; L379-N381 PolarHBondContact O-N 3.17Å
382I48Very low41.8Very low142 Ų142140.5 Ų140.573%0.72876%0.76SS**SBendtrans-115.150.7-179.7-40.8-175.8000112.1D380D380-I382 PolarHBondContact O-N 2.9Å; D380-I382 VanDerWaalsContact O-N 3.12Å
383K39Very low40.9Very low186 Ų186139.6 Ų139.681%0.80976%0.758SS**SBendtrans-152.983.8165.2-113.5158.2-169.6170.20115.4
384L33.9Very low40.4Very low167 Ų167141.1 Ų141.187%0.87476%0.76SS**  trans48107.3145.2-67165.2000119.1
385V33.5Very low39.3Very low144 Ų144141.5 Ų141.587%0.87376%0.763SS**  trans-117126.9154.7174.80000110.2
386P38.4Very low38.2Very low102 Ų102136.6 Ų136.666%0.66275%0.754SS**  trans-113.6161.8155.236.9-28.8000112.4
387T30Very low37.4Very low135 Ų135136.6 Ų136.683%0.82876%0.763SS**  trans97.4134.7160.9-33.90000117.5
388T29.8Very low36.7Very low116 Ų116135.8 Ų135.871%0.71277%0.767SS**  trans-90.9159.1179.350.50000112.6
389C27.8Very low35.8Very low117 Ų117131 Ų13179%0.79177%0.768SS**  159.4132.5119.1-88.50000114.5
390S27.9Very low34.8Very low116 Ų116133.5 Ų133.581%0.81177%0.774SS**  trans169.9151150.934.50000108
391Q31.9Very low34.1Very low157 Ų157131.6 Ų131.673%0.73477%0.772SS**  cis-159.9162.5-6.9-113.5-83-30.900106.3
392P47.8Very low33.8Very low114 Ų114134 Ų13474%0.7478%0.776SS**  -156.1150.594.738.9-18.8000119
393M30.8Very low33Very low138 Ų138130 Ų13068%0.6877%0.77SS**  trans87.9114.3143.5-65.6-96.393.100122.1
394Q33.6Very low32.8Very low163 Ų163126.6 Ų126.676%0.76277%0.77SS**  trans82.7116.2131-68.7-16945.200123.8
395N30.8Very low33Very low169 Ų169128.1 Ų128.190%0.90477%0.769SS**  trans83.8144.6132.6-157.134.4000120.3
396G30.3Very low34Very low59 Ų59126.3 Ų126.361%0.60876%0.761SS**  trans121.870162.800000119.9
397S32.9Very low33.8Very low110 Ų110129.2 Ų129.277%0.76977%0.771SS**  trans23.2121.7144.358.60000123.6
398S32.8Very low33.9Very low111 Ų111126 Ų12678%0.77676%0.764SS**  trans58.1128.8135.663.80000122.9
399G30.2Very low34.2Very low78 Ų78129.7 Ų129.780%0.80478%0.779SS**  trans178.493167.100000115.8
400F33.5Very low34.3Very low190 Ų190127.8 Ų127.883%0.83378%0.778SS**  trans-72.7140.7-170.8-60.3-87000117.6
401S33.2Very low34.6Very low110 Ų110128 Ų12877%0.76978%0.78SS**  67.8159.4123.5-66.50000123.1
402F34.4Very low35.7Very low189 Ų189125.8 Ų125.883%0.82978%0.779SS**  cis-171.2154.9-16.4166.2-88000111
403G30.4Very low35Very low59 Ų59125.4 Ų125.461%0.60878%0.78SS**  trans95.4158.2158.300000117.1
404S34.5Very low35.2Very low114 Ų114123.4 Ų123.480%0.79778%0.779SS**  cis-157.7166.4-5.3-87.70000112.3
405K38.4Very low35.1Very low199 Ų199121.5 Ų121.587%0.86578%0.779SS**  trans-83.3-173.7175.6-53.8-176.7179.1-179.70111.2
406P53.9Low35.3Very low107 Ų107118.8 Ų118.870%0.69577%0.773SS**  cis-142.5-175.63.343.4-23000118
407N35.5Very low35.5Very low163 Ų163121.4 Ų121.487%0.87278%0.782SS**  trans19.9150.7149.5-54.411.7000122
408G31.8Very low36.4Very low67 Ų67121.4 Ų121.469%0.69178%0.779SS**  cis149.5164.1-3.400000114
409L34.8Very low36.5Very low194 Ų194121.9 Ų121.9100%1.01678%0.782SS**  trans66.4134.9169.2-66162000119.5
410G30.1Very low37Very low76 Ų76123.1 Ų123.178%0.78478%0.779SS**  trans155.5118.4165.900000116.2
411S35Very low37.1Very low121 Ų121121.5 Ų121.585%0.84678%0.779SS**  trans-147.1178.9169.2-52.60000107.4
412P54.6Low37.2Very low110 Ų110122.6 Ų122.671%0.71478%0.776SS**  cis-135.3-162-1.940.1-20000113.6
413S33.5Very low37.1Very low107 Ų107118.2 Ų118.275%0.74877%0.769SS**  trans65.5152.2156.744.30000119.7
414S35.3Very low37.3Very low96 Ų96121 Ų12167%0.67178%0.779SS**  cis-168.5178.6-1654.30000112.1
415T31.8Very low37.3Very low123 Ų123123.5 Ų123.576%0.75578%0.783SS**  trans79.1146.5146.536.30000123.2
416S33.8Very low36.9Very low112 Ų112117.8 Ų117.878%0.78378%0.781SS**  trans67.6103.7151.752.40000122.5
417S35.2Very low35.8Very low113 Ų113117 Ų11779%0.7979%0.792SS**  trans-58.9177.7136.1-35.50000111.2
418P52.3Low35.7Very low111 Ų111112.6 Ų112.672%0.72179%0.786SS**  cis-150.7-168.221.844-21.8000118.5
419S34.4Very low35.7Very low120 Ų120116.8 Ų116.884%0.83979%0.792SS**  trans88.1157.8145.7-66.40000121.1
420S40.7Very low35.6Very low104 Ų104110.8 Ų110.873%0.72777%0.767SS**  trans-132.4157.1-161.552.60000112.8
421N34.9Very low35.8Very low156 Ų156117.2 Ų117.283%0.83477%0.769SS**  trans169.7160.2158.2-93.5-26.1000109.8
422N35Very low35.8Very low134 Ų134117.4 Ų117.472%0.71777%0.77SS**  cis-162.9154.2-27-170.38.9000109.2
423S32.6Very low34.7Very low96 Ų96120 Ų12067%0.67178%0.778SS**  trans1.1139.3162.3-53.90000122
424S34.2Very low34.6Very low117 Ų117119.7 Ų119.782%0.81878%0.776SS**  161.9171.6101.556.60000115.5
425N34.4Very low34.7Very low167 Ų167121.9 Ų121.989%0.89378%0.779SS**  trans-43160.5-175.5-57.4-15.4000117.9
426G31.8Very low34.8Very low80 Ų80123 Ų12383%0.82577%0.773SS**  cis139.9145.8-6.100000114.9
427G30.7Very low34.5Very low89 Ų89122.5 Ų122.592%0.91877%0.77SS**  trans111.7134.816200000118
428G32.2Very low35.6Very low72 Ų72122.3 Ų122.374%0.74277%0.766SS**  trans124.377.1152.100000120.1
429N32.5Very low34.5Very low154 Ų154126.4 Ų126.482%0.82477%0.768SS**  trans58.2149146.8-67.113.6000121.4
430S33.5Very low34.6Very low69 Ų69127.2 Ų127.248%0.48377%0.768SS.*  cis-167.6167-15-95.90000112
431Y32.8Very low34.3Very low211 Ų211127.3 Ų127.383%0.82778%0.775SS**  trans76.593.8159-45.6-54.2000119.8
432S34.6Very low34.1Very low125 Ų125123.2 Ų123.287%0.87477%0.77SS**  trans-157.9137.1136.8-780000110.1
433N32.8Very low33.9Very low163 Ų163123 Ų12387%0.87278%0.779SS**  trans-75.4155.3167.7-63.2-59.9000108.8
434S32Very low33.9Very low101 Ų101123.5 Ų123.571%0.70678%0.782SS**  cis-161.4177.42-138.20000107.9
435I36.5Very low34Very low143 Ų143125.7 Ų125.773%0.73378%0.784SS**  cis-141.6-134.35-165.9156.2000110.2
436F33Very low34Very low147 Ų147126.8 Ų126.865%0.64578%0.776SS**  trans-138.3154.7-170-86.1-102.3000110.4Y439F436-Y439 HydrophobicContact CD1-CE2 4.03Å; F436-Y439 HydrophobicContact CE1-CE2 4.04Å
437S28Very low34.6Very low101 Ų101128.2 Ų128.271%0.70677%0.771SS**  cis83.5146.520.7-62.50000117.2
438P58Low34.6Very low109 Ų109128.3 Ų128.371%0.70876%0.757SS**  trans-117.3163.8-158.641.5-30.1000115.6
439Y30.4Very low35.2Very low196 Ų196129.9 Ų129.977%0.76976%0.755SS**  trans-143.3170.7173-67-69.9000113F436F436-Y439 HydrophobicContact CD1-CE2 4.03Å; F436-Y439 HydrophobicContact CE1-CE2 4.04Å
440T35.5Very low35.3Very low137 Ų137131.7 Ų131.784%0.8476%0.76SS**  trans-134175.1-167.1570000113.2
441A33.9Very low35.9Very low106 Ų106136.5 Ų136.588%0.87678%0.775SS**  trans69.1149-177.500000116.1
442G31.9Very low36Very low70 Ų70132 Ų13272%0.72277%0.769SS**  cis148.4110.4-12.500000113.9
443S30.2Very low36.1Very low131 Ų131134.1 Ų134.192%0.91677%0.769SS**  trans-164146.6161.7-90.80000114.4
444S32.3Very low36.2Very low105 Ų105134.6 Ų134.673%0.73477%0.767SS**  trans-42.2146.9175.1-1760000117
445L36.5Very low36.2Very low164 Ų164137.8 Ų137.886%0.85977%0.77SS**  -159107.3120.6-107171.1000113.6
446R34.5Very low35.9Very low189 Ų189136.9 Ų136.971%0.71377%0.767SS**  trans49.3121.2147-105.2-67.1-168.9163.84.9122.6S448R446-S448 PolarHBondContact NH1-OG 3.06Å
447P44.9Very low36Very low111 Ų111138.9 Ų138.972%0.72178%0.775SS**  trans-100.3152.2154.837.4-32.3000113.3
448S30.3Very low36.3Very low91 Ų91142.4 Ų142.464%0.63678%0.781SS**  trans162.7163.516047.10000111.5R446R446-S448 PolarHBondContact NH1-OG 3.06Å
449P44.4Very low35.2Very low105 Ų105144.1 Ų144.168%0.68279%0.789SS**  cis-131.3171.7-25.834.8-18.2000113.6
450M34.5Very low35.2Very low192 Ų192139.7 Ų139.795%0.94679%0.787SS**  trans-128.3118.1143.9-122.8-175.381.300109.3
451Q46.3Very low35Very low169 Ų169143.1 Ų143.179%0.7979%0.79SS**  trans-110.1157.5167.2-80.5177.4-27.300106.2
452T34.9Very low34.7Very low116 Ų116143.4 Ų143.471%0.71279%0.786SS**  cis-158.5149.9-1.7165.20000107.4
453I37.6Very low34.6Very low170 Ų170147 Ų14787%0.87280%0.795SS**  trans-162136.1131.3-101.4155.1000108.5
454Q34Very low34.7Very low174 Ų174147.1 Ų147.181%0.81379%0.79SS**  trans-122.7124.7175.5173.5178.6-18.100103.3
455E32.5Very low34.8Very low167 Ų167145.5 Ų145.578%0.7879%0.789SS**  -168.1133.384.562.6-168.7124.400110.7
456N29.9Very low34.6Very low124 Ų124146 Ų14666%0.66379%0.79SS**  89.691.393.5-176.429.3000116.4
457K35.4Very low34.5Very low190 Ų190141.5 Ų141.583%0.82679%0.787SS**  -170.5169.1113.8-103.2175.2-176.3179.70112.3
458Q34.9Very low33.9Very low175 Ų175145.4 Ų145.482%0.81880%0.795SS**  trans-104.3142.1-165-54.7156.1-65.300113.2
459T34.2Very low34.1Very low145 Ų145151.7 Ų151.789%0.8981%0.811SS**  trans-152133.6136.936.40000108.8
460S31.1Very low33.5Very low103 Ų103149.3 Ų149.372%0.7281%0.806SS**  trans-110128.1-175.5-56.90000111.5
461F31.2Very low33.8Very low208 Ų208145.4 Ų145.491%0.91280%0.798SS**  trans-142.9123.3152.9-81.2-68.7000110.2
462S28.3Very low33.7Very low113 Ų113145 Ų14579%0.7980%0.796SS**  trans-86.5127.4-178.3-59.50000111.1
463T29.3Very low34.4Very low146 Ų146144.1 Ų144.190%0.89679%0.79SS**  trans-99110.5163.6-47.50000109.1
464T32.1Very low34.6Very low133 Ų133142.9 Ų142.982%0.81679%0.785SS**  trans-118.4128.9169430000108.9
465G33.4Very low35.5Very low70 Ų70141 Ų14172%0.72278%0.776SS**  trans-126-174.1-177.200000113.7
466M33.3Very low36.4Very low176 Ų176139.8 Ų139.887%0.86778%0.775SS**  trans73.1105.5164.5-55-16173.600118.5
467S32Very low37.4Very low93 Ų93141.5 Ų141.565%0.6578%0.783SS**  73.489.6121.8-540000120.1
468H32.9Very low37.8Very low194 Ų194139.2 Ų139.290%0.89878%0.779SS**  trans-137.7114.6138.7-79.2-72.1000110.3
469F33.9Very low38.2Very low222 Ų222137.6 Ų137.697%0.97478%0.776SS**  trans-108.6105.9162.7-99.5-80.2000108.4
470G32.6Very low38.3Very low55 Ų55136.7 Ų136.757%0.56778%0.776SS**  trans-90.7164.1170.300000111.7Q472G470-Q472 PolarHBondContact O-N 2.85Å
471S40.8Very low38.6Very low111 Ų111139.7 Ų139.778%0.77678%0.784SS**  trans-86.1104.4176.4172.20000110.8
472Q43.2Very low38.8Very low160 Ų160134.4 Ų134.475%0.74877%0.773SS**  trans-100.4134.3172.9-96.641.263.200111.2G470G470-Q472 PolarHBondContact O-N 2.85Å
473T49.6Very low39.1Very low98 Ų98136.7 Ų136.760%0.60177%0.77SS**  trans-95.5150.2-171.243.10000112.7Q475T473-Q475 PolarHBondContact O-N 2.9Å
474L42.8Very low39.2Very low144 Ų144135.1 Ų135.175%0.75476%0.756SS**THydrogen-bonded Turntrans-69.124.7-173.3-67.9167.9000116
475Q52.9Low39.3Very low133 Ų133136.1 Ų136.162%0.62175%0.752SS**THydrogen-bonded Turntrans-94.4-34.4176.8-94.368.346.400113.7T473 L477T473-Q475 PolarHBondContact O-N 2.9Å; Q475-L477 VanDerWaalsContact C-N 3.31Å; Q475-L477 PolarHBondContact O-N 3.11Å
476D50.7Low39.4Very low143 Ų143138.7 Ų138.777%0.76576%0.758SS**THydrogen-bonded Turntrans-73.4-17.6-172.5-81.3-17.3000114.4
477L50.3Low39.4Very low159 Ų159136.1 Ų136.183%0.83275%0.748SS**THydrogen-bonded Turntrans-90.6-0-178-87.7163.3000114.7Q475Q475-L477 VanDerWaalsContact C-N 3.31Å; Q475-L477 PolarHBondContact O-N 3.11Å
478L43.9Very low40Very low142 Ų142136.8 Ų136.874%0.74375%0.748SS**SBendtrans-112.9-1.8-174.3-66.4175000114.5
479N44.3Very low40.3Very low142 Ų142136.6 Ų136.676%0.75975%0.75SS**SBendtrans-122.952-174.1-78.5-15000112.9
480S36.7Very low40.7Very low125 Ų125133.4 Ų133.487%0.87474%0.74SS**  trans-154.781.6168.3-76.80000111.3
481D36.2Very low40.9Very low167 Ų167137.5 Ų137.589%0.89375%0.754SS**  trans-106.5172.5163.3-157-20.3000108.6
482S36Very low40.5Very low97 Ų97141 Ų14168%0.67876%0.758SS**  trans79.593.7173162.80000119
483H34.1Very low39.9Very low160 Ų160139.3 Ų139.374%0.74176%0.764SS**  97.1131.3103-147.337.5000121.8
484N31.5Very low39.1Very low113 Ų113142.1 Ų142.160%0.60478%0.776SS**  trans98.2118.1147.1-73.2-27.8000124.9
485H34.5Very low39.7Very low154 Ų154139.6 Ų139.671%0.71377%0.768SS**  trans39130.7135.3-82.4-90.1000122.9D487H485-D487 IonicContact CE1-OD2 3.8Å; H485-D487 IonicContact ND1-OD2 3.04Å; H485-D487 PolarHBondContact ND1-OD2 2.73Å
486S34.4Very low38.7Very low124 Ų124140.2 Ų140.287%0.86778%0.775SS**  -156.4155120.441.60000111.2
487D35.1Very low38Very low123 Ų123141.1 Ų141.166%0.65878%0.776SS**  trans-115150.6-161.7-79.2-93.1000114.9H485H485-D487 IonicContact CE1-OD2 3.8Å; H485-D487 IonicContact ND1-OD2 3.04Å; H485-D487 PolarHBondContact ND1-OD2 2.73Å
488V44Very low37.2Very low106 Ų106138.4 Ų138.464%0.64277%0.771SS**  trans24.1131.8142.9-173.90000120.3M490V488-M490 HydrophobicContact CG1-CG 4.02Å
489M38.8Very low36.7Very low191 Ų191140.5 Ų140.594%0.94178%0.777SS**  trans-133.6150.1139.9-85.4-62.1-80.400111.5
490M41.7Very low36Very low155 Ų155137.9 Ų137.976%0.76477%0.774SS**  trans-113.1149.5-165.2-76.7-101-157.100114V488V488-M490 HydrophobicContact CG1-CG 4.02Å
491T37.5Very low35.6Very low141 Ų141137.7 Ų137.787%0.86577%0.773SS**  trans-140.990.9151.247.90000113.5
492Q31.4Very low35.4Very low183 Ų183134.1 Ų134.186%0.85577%0.767SS**  trans27.2118.8138-55.8178.2100120.4
493S32.4Very low35Very low126 Ų126136.4 Ų136.488%0.88178%0.777SS**  -179.115197.638.90000113.7
494D31.9Very low34.9Very low156 Ų156133.4 Ų133.483%0.83478%0.779SS**  trans-147.8169.8179.7-158.643.7000104.9
495P56Low35.1Very low92 Ų92135.6 Ų135.660%0.59779%0.789SS**  cis-142.5-163.816.342.9-21.3000116.6
496L32Very low35Very low145 Ų145136 Ų13676%0.75980%0.795SS**  trans111.5134162.6-62.5165.9000114.6
497M35.6Very low34.9Very low162 Ų162135.1 Ų135.180%0.79879%0.789SS**  cis-158.1150-10.2-175.972.1105.300109.4
498S33.6Very low34.7Very low102 Ų102136.7 Ų136.771%0.71379%0.792SS**  trans-61.6150.5-178.6-40.80000116.1
499Q33.1Very low34Very low187 Ų187137.6 Ų137.687%0.87479%0.794SS**  -165.5137.7110.3-114.6-174.5106.900118
500A29.5Very low33.6Very low86 Ų86131.8 Ų131.871%0.71177%0.771SS**  trans40.7116.1136.700000122.4
501S28.9Very low33.4Very low122 Ų122134.8 Ų134.885%0.85377%0.774SS**  trans-54.1156.2153.3-24.70000114.6
502A31.1Very low33.7Very low92 Ų92138.9 Ų138.976%0.7677%0.774SS**  trans-168.7119.7130.400000115.1
503V27.3Very low33.8Very low145 Ų145137 Ų13788%0.87977%0.77SS**  35.9118.2128.8-174.90000120.2
504A33Very low33.8Very low96 Ų96136.3 Ų136.379%0.79376%0.76SS**  -163.8143.8121.800000112.2
505I36.3Very low33.8Very low159 Ų159136.8 Ų136.882%0.81576%0.759SS**  trans-117.6140.1168.2-59.9172.2000106.7
506I31.3Very low32.8Very low163 Ų163138.7 Ų138.784%0.83677%0.769SS**  trans172146.6137.7-89.7154.6000112.1
507S31.8Very low32.8Very low105 Ų105142.2 Ų142.273%0.73477%0.772SS**  trans-44.1-174.7174.2-166.30000119.1
508Q32.5Very low32.6Very low157 Ų157141.8 Ų141.873%0.73477%0.773SS**  trans101.8129.7176.4-52.5-74.6-6.100113.4
509N29.2Very low32.6Very low125 Ų125144 Ų14467%0.66878%0.777SS**  cis109.4124.516-178.423.1000114
510S30.5Very low33.9Very low68 Ų68139.6 Ų139.648%0.47677%0.765SS.*  trans76.899.6155.5-79.10000123.4
511R37.4Very low34.2Very low218 Ų218141.2 Ų141.282%0.82377%0.765SS**  82.1162.7119.8-65.9171.8177.5-960.1120.7
512R42.7Very low34.8Very low227 Ų227142.5 Ų142.586%0.85776%0.76SS**  trans68.8142.813961.5-178.9159.8150.93.7119.7
513N32.7Very low34.8Very low144 Ų144143.5 Ų143.577%0.7776%0.757SS**  cis-176.7-175.1-15.6-176.420.7000107.8
514V33.8Very low35.1Very low112 Ų112145.4 Ų145.468%0.67975%0.753SS**  trans122.694.2145-176.60000118.3
515M32.2Very low34.9Very low165 Ų165143.6 Ų143.681%0.81374%0.744SS**  61.5156.3125.6-61.2-173.2169.400125.8
516V33.8Very low34.7Very low132 Ų132142.1 Ų142.180%0.874%0.742SS**  trans98.2101.9158.8-170.20000114
517R32.7Very low34.8Very low220 Ų220140.8 Ų140.883%0.8374%0.742SS**  cis84.8104.739-166-156.5-160.1-1776.5114.1
518N30.5Very low34.8Very low152 Ų152139.6 Ų139.681%0.81375%0.747SS**  -176.8144.1126-90.1-13.7000113.3
519D34.3Very low34.8Very low148 Ų148135.4 Ų135.479%0.79175%0.746SS**  trans-104176.9166.2-137-24000107
520P59.4Low35.1Very low96 Ų96137.2 Ų137.262%0.62376%0.755SS**  -165.8-168.857.343.2-17.9000119.8
521V37.3Very low35.2Very low119 Ų119141.5 Ų141.572%0.72177%0.767SS**  trans72.6148.6151-65.30000121.1
522M41.2Very low35Very low149 Ų149136 Ų13673%0.73476%0.762SS**  cis-162.5160.30.6-125.3-26.4179.500113.6
523T31.5Very low34.6Very low114 Ų114130.4 Ų130.470%0.69976%0.758SS**  trans65.6144.7137.7-680000122.2
524F32.4Very low34.5Very low185 Ų185130.7 Ų130.781%0.81175%0.754SS**  cis-179163.7-26.3-135.9-84000109.9
525G29.9Very low34.7Very low58 Ų58133.6 Ų133.660%0.59875%0.753SS**  trans105.7116.7160.300000116
526T31.6Very low34.7Very low127 Ų127131.1 Ų131.178%0.77974%0.739SS**  cis70134.143.981.50000113.5
527T34.4Very low34.6Very low135 Ų135132.1 Ų132.183%0.82874%0.737SS**  cis-144.9156.316.950.70000111.3
528G31.6Very low34.5Very low81 Ų81128.6 Ų128.684%0.83573%0.734SS**  78.9139.481.600000114.5
529G31.2Very low34.6Very low69 Ų69128.8 Ų128.871%0.71173%0.73SS**  cis166.8-178.6-4.600000113
530L34.9Very low34.3Very low163 Ų163128 Ų12885%0.85373%0.73SS**  trans77.5151.4165.5-51.2171.2000118
531Q33.5Very low33Very low158 Ų158129.7 Ų129.774%0.73873%0.734SS**  cis-163150.1-10-135.5-171.483.100115.6
532S33.5Very low32.7Very low103 Ų103130.4 Ų130.472%0.7273%0.734SS**  trans62.1156.8154.774.10000119.9
533S33.6Very low32.4Very low109 Ų109129.9 Ų129.976%0.76273%0.73SS**  cis-154.5-171.7-0.2-129.90000108.6
534H32.2Very low32.3Very low150 Ų150131.2 Ų131.269%0.69473%0.732SS**  cis-144.5-165.15-142.7-147.6000107.8
535R37Very low32.3Very low173 Ų173129.3 Ų129.365%0.65373%0.726SS**  cis75.714022.5-106.6179.3173-123.5-10.8116.7
536E31.5Very low32.4Very low113 Ų113130.9 Ų130.953%0.52873%0.728SS.*  cis-159.4127.39.8-160.7147.7-171.300111.1
537M32.2Very low32.3Very low152 Ų152131.3 Ų131.375%0.74973%0.73SS**  67.6139.489.2-155.1-170-60.600118.9
538L30.2Very low32.1Very low147 Ų147132.4 Ų132.477%0.7773%0.728SS**  trans156.6158144.1-82.1167.3000110.5
539Q32.3Very low32.1Very low155 Ų155139.9 Ų139.972%0.72473%0.731SS**  cis-167.4176.5-39.3-156.4168.339.400111.8
540T29.3Very low32Very low131 Ų131140.9 Ų140.980%0.80473%0.727SS**  trans90.6162.8159.875.70000121.1
541N31.8Very low32Very low132 Ų132140.8 Ų140.871%0.70673%0.727SS**  -166155.9-56.9-155.35.1000113.5
542N31.8Very low32Very low134 Ų134140.9 Ų140.972%0.71773%0.732SS**  trans61.8157.3163.5-77.4-39.3000120.6
543H34.4Very low31.7Very low138 Ų138138.9 Ų138.964%0.63973%0.727SS**  cis-119.2-105.70.3-17522.9000114Q545H543-Q545 PolarHBondContact NE2-NE2 3.01Å
544N29.3Very low31.5Very low142 Ų142140.7 Ų140.776%0.75973%0.729SS**  cis-153.4-179.1-1.1-159.911.4000112.9
545Q31.9Very low31.7Very low146 Ų146140 Ų14068%0.68273%0.73SS**  trans-134.2174.9-171.6-81.2-174.470.800113.2H543H543-Q545 PolarHBondContact NE2-NE2 3.01Å
546S31.9Very low31.3Very low90 Ų90138.4 Ų138.463%0.62973%0.734SS**  cis-177.7159.5-32.568.10000110.2
547T29.2Very low31.3Very low136 Ų136140.2 Ų140.283%0.83475%0.746SS**  trans164.9149.2148.5-75.90000111.9
548M31.2Very low31.2Very low159 Ų159136.7 Ų136.778%0.78374%0.742SS**  trans-135.1166.1-176.6-57.7-154.1-50.900115.1
549R32Very low31.2Very low238 Ų238136.1 Ų136.190%0.89874%0.739SS**  trans-169.5125.2145.5-92155.1-151.8-141.66.5105.7
550S29.2Very low31.2Very low89 Ų89136.4 Ų136.462%0.62274%0.74SS**  cis65.1131.948.2-51.10000111.8
551L33.9Very low31.3Very low162 Ų162133.8 Ų133.885%0.84873%0.732SS**  cis-134.1154.528.1-62.7157.1000110.3
552N32.5Very low31.4Very low160 Ų160134.6 Ų134.686%0.85674%0.737SS**  cis102.4131.133.4-104.931.6000114.9
553G29.1Very low31.5Very low60 Ų60133.8 Ų133.862%0.61974%0.736SS**  trans127.599.6175.800000112.3
554D28.9Very low31.5Very low147 Ų147134.9 Ų134.979%0.78675%0.746SS**  78.7129.572.9-77.3-51.9000113
555L35.2Very low31.8Very low137 Ų137132.1 Ų132.172%0.71774%0.743SS**  cis-155.1156.619.2-101.5147.5000113.1
556N30.3Very low31.8Very low138 Ų138132.7 Ų132.774%0.73875%0.751SS**  trans21155.5137.6-79.1-26.1000123
557L31.1Very low31.9Very low152 Ų152131.4 Ų131.480%0.79675%0.745SS**  cis-175.8173.8-2.1170.462.4000109.8
558A29.5Very low32.1Very low78 Ų78132.9 Ų132.965%0.64574%0.74SS**  trans81.5136.4170.500000116.4
559N30.8Very low32.2Very low135 Ų135131.8 Ų131.872%0.72273%0.733SS**  67.5137.452.9-76.634.1000113
560E31.2Very low32.1Very low160 Ų160127 Ų12775%0.74872%0.721SS**  cis-153.4138.2-0.1-115.4157.9136.300108.4
561A32.2Very low32.3Very low76 Ų76129.4 Ų129.463%0.62873%0.726SS**  64.5137.7102.300000118.4
562N32.7Very low32.3Very low150 Ų150128.5 Ų128.580%0.80272%0.721SS**  trans69.7153.4166.1-59.4-44.2000116.8
563T35Very low32.2Very low116 Ų116128.7 Ų128.771%0.71272%0.722SS**  cis-156.8131.1-8.611.40000107.5
564L33.6Very low32.4Very low162 Ų162131 Ų13185%0.84873%0.729SS**  75.2133.395.1-16585.1000116.3
565A35.4Very low33.1Very low83 Ų83129.1 Ų129.169%0.68672%0.724SS**  trans68.3160.2168.600000114.5
566N33.2Very low32.8Very low158 Ų158130.5 Ų130.585%0.84573%0.73SS**  cis-164.9167.3-7.4-126.1-22.4000105.3
567A34Very low32.8Very low63 Ų63127.5 Ų127.552%0.52173%0.732SS.*  cis-162.7169.6-5.600000109.7
568K32.4Very low32.7Very low168 Ų168123.6 Ų123.673%0.7373%0.729SS**  trans57.6126.3135.3-77.1165.7156.8-101.30122.3
569Q34.3Very low32.8Very low135 Ų135128.2 Ų128.263%0.63174%0.743SS**  76.7149.4126-69.2176.6-86.400118.9
570Q30.4Very low32.8Very low139 Ų139125.1 Ų125.165%0.6574%0.743SS**  cis-174.2174.6-12.8179.9179.5-15.900108.4
571L33.6Very low33.1Very low139 Ų139123.8 Ų123.873%0.72875%0.746SS**  trans75.9165.6167.9-48.1175.1000115.7
572L32.1Very low33.3Very low142 Ų142125.7 Ų125.774%0.74376%0.755SS**  -171.7135.1-61-108.2173.7000107.7
573L31.7Very low33.4Very low164 Ų164123.9 Ų123.986%0.85975%0.754SS**  trans63.8143.9165.2-99.166.5000121.4
574S32.5Very low33.2Very low110 Ų110125.6 Ų125.677%0.76976%0.755SS**  trans-75.9175170.7-32.30000112
575P44.4Very low33.1Very low107 Ų107124.6 Ų124.670%0.69575%0.747SS**  -157.4178.97743.5-23.8000117.4
576I29.3Very low32.9Very low165 Ų165129 Ų12985%0.84676%0.756SS**  trans54.2135.4148.3-68.6156.2000118.9
577G28.7Very low32.7Very low75 Ų75126.9 Ų126.977%0.77375%0.745SS**  cis136.1136.50.400000111.9
578G28.8Very low32.6Very low71 Ų71130.6 Ų130.673%0.73276%0.762SS**  trans143.596.8168.300000118.8
579N32.3Very low33.1Very low174 Ų174127.8 Ų127.893%0.9376%0.763SS**  trans53.4122.9136.6-57.3-4.9000123.6
580G31.6Very low33Very low70 Ų70129.3 Ų129.372%0.72277%0.774SS**  trans121.8144.213500000117.2
581T35.8Very low33.1Very low132 Ų132131 Ų13181%0.8178%0.779SS**  cis-155.4156.6-11.944.70000110.9
582S37.5Very low33.1Very low117 Ų117130.1 Ų130.182%0.81878%0.775SS**  trans59113.2152.1-56.90000121.3
583S34.4Very low32.9Very low112 Ų112131 Ų13178%0.78378%0.78SS**  -176.3106.499.5-176.40000113.8
584M32.2Very low32.8Very low151 Ų151126.2 Ų126.274%0.74477%0.771SS**  trans28.5110.8141.7-48-62.8-79.100118.3
585Q30.6Very low33.4Very low142 Ų142126.9 Ų126.966%0.66477%0.773SS**  59.6123.669.6-68.5-165.9-8100116.6D587Q585-D587 PolarHBondContact NE2-OD2 2.64Å; Q585-D587 VanDerWaalsContact NE2-OD2 3.12Å
586I30.9Very low32.9Very low174 Ų174126.1 Ų126.189%0.89278%0.775SS**  -134.1126.4128.5-61.7-175.3000107.6
587D30.1Very low33.2Very low115 Ų115123.5 Ų123.562%0.61577%0.772SS**  trans-119.4173.7172.5-87.7-66.9000109.9Q585Q585-D587 PolarHBondContact NE2-OD2 2.64Å; Q585-D587 VanDerWaalsContact NE2-OD2 3.12Å
588T30.1Very low33.2Very low140 Ų140125.5 Ų125.586%0.85977%0.773SS**  trans102.6136.8152.3-36.50000117.8
589S43.3Very low33.2Very low110 Ų110128 Ų12877%0.76978%0.78SS**  trans-106.2154.5-169.550.70000114.9
590I33.5Very low33Very low166 Ų166123.4 Ų123.485%0.85177%0.774SS**  trans-149.7137.2-177.5-71-179.3000106.8
591F32.1Very low32.9Very low174 Ų174123.7 Ų123.776%0.76378%0.776SS**  cis-160.7-173-14.1-172.2-108.2000109.3
592L32.9Very low32.5Very low122 Ų122123.8 Ų123.864%0.63978%0.781SS**  trans-68.6141.7-178-78.563.1000114.8
593N28.2Very low32.4Very low160 Ų160127 Ų12786%0.85678%0.783SS**  -174.6147.898.7-105.1-22.9000114.8
594G30.3Very low32.3Very low64 Ų64129 Ų12966%0.6679%0.785SS**  trans-97.1-165.5162.800000111.9
595P44.6Very low32.5Very low124 Ų124132.7 Ų132.781%0.80579%0.791SS**  cis-143.5173.839.742.7-24.9000117.5
596A34.4Very low32.9Very low90 Ų90134.6 Ų134.674%0.74480%0.797SS**  trans43.6138.2139.600000121.6
597S34Very low33.3Very low111 Ų111132.1 Ų132.178%0.77679%0.792SS**  cis-167.2174.16.9-128.20000114.6
598S29.1Very low34.3Very low116 Ų116133.4 Ų133.481%0.81180%0.804SS**  trans77.1140.3165.178.90000117.2
599S29.7Very low34.9Very low125 Ų125133.8 Ų133.887%0.87480%0.801SS**  cis-164.1163-21.3-160.70000111.7
600G28Very low35Very low77 Ų77136.6 Ų136.679%0.79481%0.806SS**  trans99.5112.8155.200000117
601G29.6Very low35.4Very low75 Ų75135 Ų13577%0.77380%0.8SS**  trans15288.2171.200000113.2
602C27.7Very low36.2Very low134 Ų134133.1 Ų133.191%0.90580%0.797SS**  trans-71.6146.5176.6-610000111.5
603Q35.2Very low36.8Very low185 Ų185132.8 Ų132.886%0.86480%0.796SS**  trans-108.1125.2170.1-76.4-73.8-29.500107.9
604D32Very low37.7Very low153 Ų153132.6 Ų132.682%0.81879%0.792SS**  trans-137.3154.1170.1-127.9-41000112.5
605R35.7Very low38.5Very low230 Ų230138.3 Ų138.387%0.86880%0.799SS**PPolyproline II helixtrans-77.5128.8-153.5-173.8179.8-66.9173.4-1.3113.4
606F39.1Very low38.7Very low182 Ų182139.1 Ų139.180%0.79880%0.796SS**PPolyproline II helixtrans-65.7139166.3-81.1-87.4000111.3T608F606-T608 PolarHBondContact O-N 3.48Å
607P39.1Very low39.3Very low122 Ų122139.2 Ų139.279%0.79279%0.792SS**PPolyproline II helixtrans-70.1124.4169.2-16.330.8000111.3D609P607-D609 PolarHBondContact O-N 3.09Å
608T51.3Low40.1Very low142 Ų142138.4 Ų138.487%0.87180%0.801SS**  trans-93.874.7171.152.10000109.9F606F606-T608 PolarHBondContact O-N 3.48Å
609D42.7Very low41Very low148 Ų148137.4 Ų137.479%0.79179%0.794SS**  trans-151.560.7174.5-151.17000112.8P607P607-D609 PolarHBondContact O-N 3.09Å
610L46.1Very low41.9Very low168 Ų168139.9 Ų139.988%0.8880%0.796SS**SBendtrans-141.598.6158.7-88.5179.6000106.9
611D41.8Very low42.9Very low134 Ų134144.4 Ų144.472%0.71780%0.797SS**  trans-68.6138.8-172.8-158.1-3.1000111.9D613D611-D613 PolarHBondContact O-N 3.18Å
612L48.6Very low43.8Very low133 Ų133146.3 Ų146.370%0.69680%0.797SS**G310 helixtrans-86.2-8.3-164.7-135.973.7000113.7M614L612-M614 PolarHBondContact O-N 2.81Å
613D45.7Very low45Very low115 Ų115144.7 Ų144.762%0.61578%0.779SS**G310 helixtrans-78.7-14-171.9-79.5-2.5000114.5D611 F615 N616D611-D613 PolarHBondContact O-N 3.18Å; D613-F615 PolarHBondContact O-N 3.27Å; D613-N616 PolarHBondContact O-N 2.82Å
614M47.8Very low46Very low156 Ų156142.3 Ų142.377%0.76877%0.77SS**G310 helixtrans-56.3-24.6175.6-170.862.769.200113.3L612L612-M614 PolarHBondContact O-N 2.81Å
615F46.7Very low47.2Very low184 Ų184140.4 Ų140.481%0.80776%0.756SS**G310 helixtrans-97.7-2-175.7-69.9-77.7000115.2D613D613-F615 PolarHBondContact O-N 3.27Å
616N49.6Very low48.3Very low141 Ų141132.8 Ų132.875%0.75474%0.738SS**SBendtrans-114.82.1-173.5-79.2-51.1000115.4D613D613-N616 PolarHBondContact O-N 2.82Å
617S46.3Very low49.3Very low93 Ų93129 Ų12965%0.6573%0.725SS**SBendtrans-118.3127.5172.663.30000111.7S619S617-S619 PolarHBondContact O-N 3.09Å
618G51.3Low50.2Low94 Ų94127.4 Ų127.497%0.96971%0.709SS**  trans-82.779.1-167.300000114
619S46.9Very low50.5Low95 Ų95128.3 Ų128.366%0.66470%0.696SS**  trans-137.580.6172.8-175.80000111.9S617S617-S619 PolarHBondContact O-N 3.09Å
620L48.9Very low51Low177 Ų177126.3 Ų126.393%0.92769%0.685SS**  trans-100.549.1167-68.9178.4000111C622L620-C622 PolarHBondContact O-N 2.99Å
621E48.6Very low51.6Low171 Ų171124.2 Ų124.280%0.79968%0.675SS**  trans-79.8109.8165.6-155.876.5-100.300107.4D623E621-D623 PolarHBondContact O-N 3.15Å; E621-D623 VanDerWaalsContact O-N 3.12Å
622C49.1Very low52.1Low116 Ų116123.5 Ų123.578%0.78467%0.671SS**  trans-77.397.9176.4-70.40000109.4L620 M624L620-C622 PolarHBondContact O-N 2.99Å; C622-M624 VanDerWaalsContact C-N 3.34Å; C622-M624 PolarHBondContact O-N 3.05Å
623D53Low52.3Low100 Ų100124 Ų12454%0.53567%0.671SS.*  trans-64.291.4175.3-177.62.7000111.3E621 E625 S626E621-D623 PolarHBondContact O-N 3.15Å; E621-D623 VanDerWaalsContact O-N 3.12Å; D623-E625 PolarHBondContact O-N 2.83Å; D623-E625 WeakPolarHBondContact OD1-CB 3.33Å; D623-E625 PolarHBondContact OD1-N 3.21Å; D623-S626 PolarHBondContact O-N 3.43Å; D623-S626 PolarHBondContact OD1-N 3.46Å; D623-S626 VanDerWaalsContact OD1-N 3.17Å
624M56.2Low52.4Low134 Ų134125.4 Ų125.466%0.6668%0.679SS**Hα-helixtrans-66.1-26.8177.3-162.8-165.2-55.200111.9C622 I627 I628C622-M624 VanDerWaalsContact C-N 3.34Å; C622-M624 PolarHBondContact O-N 3.05Å; M624-I627 PolarHBondContact O-N 3.27Å; M624-I628 HydrophobicContact CG-CD1 3.88Å; M624-I628 HydrophobicContact CG-CG1 4.42Å; M624-I628 VanDerWaalsContact O-CG1 3.3Å; M624-I628 WeakPolarHBondContact O-CG1 3.49Å; M624-I628 PolarHBondContact O-N 3.13Å; M624-I628 HydrophobicContact SD-CD1 3.98Å
625E56.9Low52.5Low113 Ų113121 Ų12153%0.52867%0.667SS.*Hα-helixtrans-71-34.3-179.9-64-162.6179.500111.7D623 I627 I628 R629D623-E625 PolarHBondContact O-N 2.83Å; D623-E625 WeakPolarHBondContact OD1-CB 3.33Å; D623-E625 PolarHBondContact OD1-N 3.21Å; E625-I627 VanDerWaalsContact C-N 3.35Å; E625-I628 PolarHBondContact O-N 3Å; E625-R629 VanDerWaalsContact O-CB 3.3Å; E625-R629 WeakPolarHBondContact O-CB 3.47Å; E625-R629 WeakPolarHBondContact O-CD 3.32Å; E625-R629 WeakPolarHBondContact O-CG 3.24Å; E625-R629 PolarHBondContact O-N 3.43Å; E625-R629 IonicContact OE2-CZ 2.73Å; E625-R629 IonicContact OE2-NE 2.66Å; E625-R629 IonicContact OE2-NH2 2.87Å; E625-R629 PolarHBondContact OE2-NH2 2.85Å
626S58.8Low52.5Low70 Ų70120.1 Ų120.149%0.4967%0.671SS.*Hα-helixtrans-60.1-44.5172.9-172.10000111.7D623 R629 N630D623-S626 PolarHBondContact O-N 3.43Å; D623-S626 PolarHBondContact OD1-N 3.46Å; D623-S626 VanDerWaalsContact OD1-N 3.17Å; S626-R629 PolarHBondContact O-N 3.27Å; S626-N630 WeakPolarHBondContact O-CB 3.22Å; S626-N630 PolarHBondContact O-N 3.41Å
627I59.3Low52.7Low103 Ų103116.4 Ų116.453%0.52867%0.666SS.*Hα-helixtrans-63.8-47.5176.5-59.3172.9000110.7M624 E625 R629 N630 D631M624-I627 PolarHBondContact O-N 3.27Å; E625-I627 VanDerWaalsContact C-N 3.35Å; I627-R629 PolarHBondContact O-N 3.24Å; I627-N630 PolarHBondContact O-N 3.46Å; I627-D631 PolarHBondContact O-N 3.39Å
628I59.3Low52.8Low88 Ų88118.8 Ų118.845%0.45167%0.671SS.*Hα-helixtrans-64-40.7-179.6-68.5165.7000111.4M624 E625 L632M624-I628 HydrophobicContact CG-CD1 3.88Å; M624-I628 HydrophobicContact CG-CG1 4.42Å; M624-I628 VanDerWaalsContact O-CG1 3.3Å; M624-I628 WeakPolarHBondContact O-CG1 3.49Å; M624-I628 PolarHBondContact O-N 3.13Å; M624-I628 HydrophobicContact SD-CD1 3.98Å; E625-I628 PolarHBondContact O-N 3Å; I628-L632 HydrophobicContact CG2-CD2 4.36Å; I628-L632 WeakPolarHBondContact O-CB 3.44Å; I628-L632 PolarHBondContact O-N 3.1Å
629R57.3Low52.1Low162 Ų162121.1 Ų121.161%0.61166%0.661SS**Hα-helixtrans-68-35.9178.7-69.5163.5-165.2-109.910112.2E625 S626 I627 M633E625-R629 VanDerWaalsContact O-CB 3.3Å; E625-R629 WeakPolarHBondContact O-CB 3.47Å; E625-R629 WeakPolarHBondContact O-CD 3.32Å; E625-R629 WeakPolarHBondContact O-CG 3.24Å; E625-R629 PolarHBondContact O-N 3.43Å; E625-R629 IonicContact OE2-CZ 2.73Å; E625-R629 IonicContact OE2-NE 2.66Å; E625-R629 IonicContact OE2-NH2 2.87Å; E625-R629 PolarHBondContact OE2-NH2 2.85Å; S626-R629 PolarHBondContact O-N 3.27Å; I627-R629 PolarHBondContact O-N 3.24Å; R629-M633 WeakPolarHBondContact O-CG 3.2Å
630N53.8Low51.7Low105 Ų105124.3 Ų124.356%0.56166%0.663SS**Hα-helixtrans-78.8-48.4-178-163.596.1000112.4S626 I627S626-N630 WeakPolarHBondContact O-CB 3.22Å; S626-N630 PolarHBondContact O-N 3.41Å; I627-N630 PolarHBondContact O-N 3.46Å
631D57.3Low51.2Low124 Ų124122 Ų12266%0.66365%0.652SS**Hα-helixtrans-82.5-14.1-173.1-73.75.3000113.9I627I627-D631 PolarHBondContact O-N 3.39Å
632L52Low50.8Low120 Ų120122.8 Ų122.863%0.62865%0.653SS**Hα-helixtrans-100-23.8-177.9-167.458.5000114.3I628I628-L632 HydrophobicContact CG2-CD2 4.36Å; I628-L632 WeakPolarHBondContact O-CB 3.44Å; I628-L632 PolarHBondContact O-N 3.1Å
633M53.8Low50.5Low142 Ų142125.8 Ų125.870%0.766%0.656SS**Hα-helixtrans-83.2-17.6-179.1-68.8-158.570.400114.1R629 A635R629-M633 WeakPolarHBondContact O-CG 3.2Å; M633-A635 PolarHBondContact O-N 3.17Å
634D47.5Very low49.7Very low146 Ų146126.7 Ų126.778%0.78167%0.67SS**THydrogen-bonded Turntrans-81.78.8176.6-76.6-7.3000113.5
635A49Very low49Very low63 Ų63128.3 Ų128.352%0.52168%0.68SS.*THydrogen-bonded Turntrans-97-13.1-172.600000115.7M633 G637M633-A635 PolarHBondContact O-N 3.17Å; A635-G637 PolarHBondContact O-N 2.99Å
636D48.4Very low48.2Very low165 Ų165128 Ų12888%0.88270%0.697SS**THydrogen-bonded Turntrans-77.450.9-175.6-77.4-26000113.2
637G52.8Low47.2Very low64 Ų64131.1 Ų131.166%0.6671%0.708SS**THydrogen-bonded Turntrans-144.29.5-168.300000117.6A635A635-G637 PolarHBondContact O-N 2.99Å
638L49Very low46.1Very low142 Ų142134.2 Ų134.274%0.74372%0.723SS**  trans-124.287.9-179-68177.7000112.9F640L638-F640 HydrophobicContact CB-CD2 4.35Å; L638-F640 HydrophobicContact CB-CE2 4.02Å; L638-F640 HydrophobicContact CD1-CE2 4.49Å; L638-F640 PolarHBondContact O-N 3.12Å
639D36.2Very low45.1Very low144 Ų144137.8 Ų137.877%0.7774%0.743SS**  trans-66.6110.8166.8176.415.7000110.7N641D639-N641 PolarHBondContact O-N 3.12Å; D639-N641 PolarHBondContact OD1-N 3.04Å
640F38.8Very low43.8Very low161 Ų161133.6 Ų133.671%0.70675%0.75SS**  trans-9474.7172.4-83.9-83.9000111L638 F642L638-F640 HydrophobicContact CB-CD2 4.35Å; L638-F640 HydrophobicContact CB-CE2 4.02Å; L638-F640 HydrophobicContact CD1-CE2 4.49Å; L638-F640 PolarHBondContact O-N 3.12Å; F640-F642 PolarHBondContact O-N 3.46Å
641N38.1Very low42.9Very low129 Ų129135.5 Ų135.569%0.6977%0.765SS**  trans-59.5120.5169.3-162.5-63000110.3D639D639-N641 PolarHBondContact O-N 3.12Å; D639-N641 PolarHBondContact OD1-N 3.04Å
642F39.7Very low41.7Very low187 Ų187134.9 Ų134.982%0.8277%0.77SS**  trans-135.653.3-168.8-141.5-77000113.7F640F640-F642 PolarHBondContact O-N 3.46Å
643E43Very low40.7Very low180 Ų180136.7 Ų136.784%0.84178%0.78SS**  trans-122162.1160.6-77.3-150.4120.300112.2
644S37.7Very low39.6Very low119 Ų119139.9 Ų139.983%0.83279%0.791SS**  trans68.872.6175.7-156.60000117.3
645L39.8Very low38.8Very low168 Ų168139.5 Ų139.588%0.8879%0.794SS**  trans-151.333.4142-117.3168.1000113.7N647L645-N647 PolarHBondContact O-N 2.82Å; L645-N647 VanDerWaalsContact O-N 3.09Å
646A40.8Very low38Very low107 Ų107141.9 Ų141.988%0.88481%0.807SS**  trans-83.845.5179.500000113.4
647N38.6Very low37.2Very low134 Ų134140.6 Ų140.672%0.71781%0.805SS**  trans-158.9117.3168.8-151.8-5.3000114L645L645-N647 PolarHBondContact O-N 2.82Å; L645-N647 VanDerWaalsContact O-N 3.09Å
648M34.9Very low36.3Very low169 Ų169146.7 Ų146.783%0.83381%0.814SS**  trans171.2102.2141.8-91.4-95.268.300109.5
649N38.7Very low35.6Very low163 Ų163148.5 Ų148.587%0.87282%0.818SS**  trans-68.7136.8168.7-83.8-18.5000110.6
650G30.3Very low35.5Very low74 Ų74145.6 Ų145.676%0.76381%0.809SS**  trans-147.173.7-178.400000113
651V35.4Very low35.3Very low145 Ų145149.6 Ų149.688%0.87982%0.82SS**  trans-72.6134.9177.4-92.80000112.6
652S31.1Very low35.1Very low111 Ų111148.7 Ų148.778%0.77682%0.819SS**  trans-158.1135.8153.541.80000111.5
653N30.4Very low35.4Very low157 Ų157145.9 Ų145.984%0.8482%0.819SS**  trans-93.3141.9-174.6-70.3-48.4000111.8
654F31.3Very low35.2Very low209 Ų209144.6 Ų144.692%0.91785%0.854SS**  trans-102.6114161.1-92.2-84.8000110.6
655T31.7Very low35.1Very low138 Ų138145.9 Ų145.985%0.84786%0.855SS**  trans-77.4135.4173.348.20000110.4
656S31.2Very low34.8Very low113 Ų113144.7 Ų144.779%0.7985%0.854SS**  trans-121.2122.3-179.9-166.80000111.2K658S656-K658 PolarHBondContact O-N 3.33Å
657T31.2Very low34.5Very low139 Ų139146.8 Ų146.885%0.85385%0.852SS**  trans-74.3111.5-172.9-33.10000111.2Q659T657-Q659 PolarHBondContact O-N 3.28Å
658K34.4Very low34.3Very low192 Ų192147.5 Ų147.584%0.83586%0.86SS**  trans-71.4123.3175.7-63.9177.4-177.8174.90110.7S656S656-K658 PolarHBondContact O-N 3.33Å
659Q34.2Very low34.2Very low179 Ų179146.2 Ų146.284%0.83686%0.862SS**  trans-135.7119149.5-79.2-58.9-19.200109.5T657T657-Q659 PolarHBondContact O-N 3.28Å
660S33.6Very low33.9Very low83 Ų83145.1 Ų145.158%0.5886%0.861SS**  trans-98149.6173.9176.20000108.8
661W35.2Very low34.2Very low245 Ų245150.1 Ų150.193%0.92887%0.868SS**  trans-148.7140.3138.1-95.197.9000109
662V34.7Very low34.1Very low111 Ų111150.5 Ų150.567%0.67387%0.867SS**  trans-100.9146.3-172.5176.70000109.7
663P44.5Very low34.4Very low128 Ų128153.8 Ų153.883%0.83188%0.875SS**  trans-69.7139.8174.1-16.431.2000112.7
664G39.9Very low34.7Very low152 Ų152153.5 Ų153.5100%1.56788%0.878SS**  trans-128.90158.100000109.1

Retrieved 664 of 664 residues in 507.7 ms (Link to these results)