Z4YJL4_MOUSE Loading...

Tankyrase 1 binding protein 1

AlphaFold DB , UniProt , Accession Z4YJL4, Species MOUSE (Mus musculus, Mouse), Gene Tnks1bp1, Length 1,058 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
1M35.6Very low35.8Very low246 Ų246133.2 Ų133.2100%1.21277%0.766SS**  0148.40-88.6173.6152.100108.6
2T35.9Very low36.5Very low118 Ų118132 Ų13272%0.72477%0.767SS**  trans-52.5140177.228.70000112.5
3E38.7Very low36.7Very low174 Ų174133.5 Ų133.581%0.81376%0.762SS**  85.1155.659.4-160-160.815300111.5
4A43.1Very low36.9Very low79 Ų79132.7 Ų132.765%0.65377%0.765SS**  trans70.6145.8170.900000115.8
5Q36.3Very low37.1Very low149 Ų149132.2 Ų132.270%0.69677%0.765SS**  cis-157.9141.7-4.5-130.9175.6-40.500110.2
6E37.3Very low37.1Very low153 Ų153127.6 Ų127.672%0.71575%0.754SS**  trans58.5176.8137.1-81.5177-138.700120.7
7P47.6Very low37.9Very low94 Ų94127 Ų12761%0.6176%0.755SS**  cis-135.1-179.9-49.538-23.8000112.8
8C31.6Very low38.4Very low119 Ų119129.4 Ų129.480%0.80476%0.757SS**  trans65.5160.6145.2-76.60000119.4
9S26.6Very low38.6Very low93 Ų93128.8 Ų128.865%0.6576%0.761SS**  cis-165.2153.1-27.350.10000109.7
10V27.9Very low38.8Very low136 Ų136127.1 Ų127.182%0.82476%0.756SS**  trans60.9128.1141.6170.30000119.8
11S33.4Very low39.7Very low104 Ų104125.8 Ų125.873%0.72775%0.753SS**  trans-48.6-167.9159.1-34.50000114.4
12P44.3Very low40.5Very low119 Ų119123.5 Ų123.577%0.77373%0.731SS**  cis-133-176.4-4.333.7-11.4000115.4
13E38.1Very low41.2Very low151 Ų151126.5 Ų126.571%0.70673%0.729SS**PPolyproline II helixtrans-58.8150159.7179.3-166.1126.900113.1T15E13-T15 PolarHBondContact OE1-OG1 2.69Å
14P40.6Very low41.9Very low123 Ų123123.1 Ų123.180%0.79972%0.716SS**PPolyproline II helixtrans-103.7116.2159.734.4-25.1000112.3
15T39.3Very low42.6Very low125 Ų125123.5 Ų123.577%0.76771%0.707SS**PPolyproline II helixtrans-71.3156.8175.3-47.30000112.4E13E13-T15 PolarHBondContact OE1-OG1 2.69Å
16G37.7Very low43.2Very low58 Ų58122 Ų12260%0.59870%0.704SS**  trans-107.8176-178.500000115.8
17P50.9Low44.1Very low118 Ų118120.7 Ų120.777%0.76670%0.701SS**  trans-115.6158.7-174.739.4-29.2000114.9
18E46.3Very low44.5Very low170 Ų170123.1 Ų123.179%0.79471%0.708SS**  cis-170.5150.8-26.8-125.4164.1-118.600111.1
19S42.8Very low45.5Very low118 Ų118121 Ų12183%0.82570%0.7SS**  trans64.4144.5170.478.90000118.5
20S41.9Very low46.1Very low94 Ų94120.8 Ų120.866%0.65770%0.698SS**  cis-118.1116.50.351.40000113.5
21S57Low47.2Very low100 Ų100119.6 Ų119.670%0.69969%0.693SS**  trans37.8120.9133.4-44.90000120.4
22R54.1Low47.7Very low198 Ų198120 Ų12075%0.74769%0.694SS**SBendtrans88.5-5.8149.6-66.5-174.5164.8-88.6-9.7121.6D25R22-D25 WeakPolarHBondContact CA-OD2 3.38Å; R22-D25 PolarHBondContact N-OD2 2.72Å
23W49.5Very low47.6Very low181 Ų181120.2 Ų120.269%0.68669%0.694SS**Hα-helixtrans-101.7-30.7171.476.5-82.9000114.1L27W23-L27 HydrophobicContact CE3-CD1 4.23Å; W23-L27 HydrophobicContact CZ3-CD1 4.31Å
24L53Low47.3Very low103 Ų103120.7 Ų120.754%0.53970%0.702SS.*Hα-helixtrans-71.5-33.6162.6-78.6171.2000111.3D26 L27 L28L24-D26 PolarHBondContact O-N 3.19Å; L24-L27 PolarHBondContact O-N 2.86Å; L24-L28 WeakPolarHBondContact O-CB 3.39Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 3.22Å; L24-L28 VanDerWaalsContact O-N 3.08Å
25D58.6Low46.9Very low87 Ų87119.7 Ų119.747%0.46570%0.698SS.*Hα-helixtrans-59.5-43.6175.6-59.9-72.4000111.6R22 L27 L28 A29R22-D25 WeakPolarHBondContact CA-OD2 3.38Å; R22-D25 PolarHBondContact N-OD2 2.72Å; D25-L27 VanDerWaalsContact C-N 3.35Å; D25-L27 PolarHBondContact O-N 3.08Å; D25-L28 CarbonylContact O-C 3.49Å; D25-L28 PolarHBondContact O-N 3.32Å; D25-L28 VanDerWaalsContact O-N 3.13Å; D25-A29 WeakPolarHBondContact O-CB 3.41Å; D25-A29 PolarHBondContact O-N 3.18Å
26D48.8Very low46.9Very low119 Ų119118.1 Ų118.164%0.63671%0.706SS**Hα-helixtrans-68.6-30.6177.6-101.73.6000113.2L24 L28L24-D26 PolarHBondContact O-N 3.19Å; D26-L28 PolarHBondContact O-N 2.95Å
27L55.7Low46.6Very low124 Ų124120.8 Ų120.865%0.64972%0.716SS**Hα-helixtrans-74.6-12.6172.8-75.3169.5000113.5W23 L24 D25W23-L27 HydrophobicContact CE3-CD1 4.23Å; W23-L27 HydrophobicContact CZ3-CD1 4.31Å; L24-L27 PolarHBondContact O-N 2.86Å; D25-L27 VanDerWaalsContact C-N 3.35Å; D25-L27 PolarHBondContact O-N 3.08Å
28L55.8Low45.8Very low145 Ų145118 Ų11876%0.75970%0.703SS**Hα-helixtrans-112-20.7178-65.6172.5000113.2L24 D25 D26L24-L28 WeakPolarHBondContact O-CB 3.39Å; L24-L28 VanDerWaalsContact O-CG 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 3.22Å; L24-L28 VanDerWaalsContact O-N 3.08Å; D25-L28 CarbonylContact O-C 3.49Å; D25-L28 PolarHBondContact O-N 3.32Å; D25-L28 VanDerWaalsContact O-N 3.13Å; D26-L28 PolarHBondContact O-N 2.95Å
29A53.5Low45.1Very low76 Ų76121.6 Ų121.663%0.62871%0.709SS**Hα-helixtrans-86.8-10.2-179.400000114.2D25D25-A29 WeakPolarHBondContact O-CB 3.41Å; D25-A29 PolarHBondContact O-N 3.18Å
30S38.3Very low44.6Very low87 Ų87126.8 Ų126.861%0.60871%0.711SS**SBendtrans-105.2109.9171.1-68.40000110.4
31P52.2Low44.1Very low111 Ų111127 Ų12772%0.72172%0.718SS**  trans-66.3135.1176.727.3-33.5000110.2
32P43.8Very low42.9Very low114 Ų114127.3 Ų127.374%0.7473%0.727SS**  trans-61133.1166.826.9-33.1000108.4N34P32-N34 PolarHBondContact O-N 2.82Å
33P42.2Very low41.7Very low122 Ų122121.4 Ų121.479%0.79273%0.727SS**  trans-64.4111.3-17825.1-33.3000109.9S35P33-S35 PolarHBondContact O-N 3.48Å
34N32.3Very low40.9Very low162 Ų162117.6 Ų117.687%0.86674%0.735SS**  trans-71.979175.6-176.117.6000110.5P32P32-N34 PolarHBondContact O-N 2.82Å
35S31.2Very low39.9Very low101 Ų101120.9 Ų120.971%0.70675%0.747SS**SBendtrans-160.9109.7170.2-780000109.3P33 S37P33-S35 PolarHBondContact O-N 3.48Å; S35-S37 PolarHBondContact O-N 2.85Å
36G38.4Very low38.6Very low92 Ų92123.6 Ų123.695%0.94876%0.761SS**  trans-63.8114.217800000111.9
37S32.2Very low37.9Very low114 Ų114126.7 Ų126.780%0.79777%0.769SS**  trans-163.1133177-175.20000110.6S35S35-S37 PolarHBondContact O-N 2.85Å
38A33.8Very low36.7Very low61 Ų61127.3 Ų127.350%0.50477%0.773SS.*  cis-161.5146-14.600000112R40A38-R40 HydrophobicContact CB-CG 4.46Å
39R32Very low35.5Very low244 Ų244130.1 Ų130.192%0.92177%0.773SS**  -124.3108.5123.6-59-176-167.6-108.80.4104.2
40R31.9Very low34.3Very low228 Ų228134.4 Ų134.486%0.8678%0.78SS**  43.4114.677.9-71.2-168.8-85.8-158.4-4.4110.5A38A38-R40 HydrophobicContact CB-CG 4.46Å
41A31.9Very low33.8Very low97 Ų97135.5 Ų135.580%0.80279%0.788SS**  cis-143.6159.730.600000116.6
42A31.1Very low33.3Very low107 Ų107136.2 Ų136.288%0.88479%0.792SS**  trans73.9133.8156.500000121.2
43G30Very low32.6Very low74 Ų74135.7 Ų135.776%0.76379%0.791SS**  trans84.9118.6175.800000113.5
44A32.7Very low32.1Very low101 Ų101136.2 Ų136.284%0.83579%0.793SS**  cis68.9127.13600000113.1
45E30.7Very low32Very low173 Ų173134 Ų13481%0.80879%0.788SS**  cis-160.1-172.5-5.6-147.4-166.2129.600110.1
46L32.7Very low32.3Very low143 Ų143135.2 Ų135.275%0.74980%0.797SS**  trans82.6146.3158.5-11072.1000122.4
47K33.7Very low32.3Very low185 Ų185140.1 Ų140.180%0.80480%0.795SS**  trans-48.9163.3166.7-68.4164.3179.2170.70112.7
48D30.6Very low32.7Very low137 Ų137137.6 Ų137.673%0.73379%0.787SS**  -163.317354.8-144-4.9000118.3
49R30.3Very low33.3Very low203 Ų203143.3 Ų143.377%0.76681%0.808SS**  trans3.1116.8164.8-78.7160.9162.7-150.8-6.8121.8
50Q29.1Very low33.9Very low167 Ų167138.1 Ų138.178%0.7880%0.798SS**  35.1113.3113.9-65-177.8-73.800120.9
51S27.3Very low34.8Very low109 Ų109131.4 Ų131.476%0.76280%0.8SS**  75160.5129.7-53.40000120
52P41.2Very low35Very low126 Ų126135 Ų13582%0.81879%0.793SS**  cis-121-177-4.440.4-25.8000114.8
53S29.5Very low35.9Very low103 Ų103132 Ų13272%0.7277%0.768SS**  trans-71.1156.2177.4540000116.2
54T31Very low36.7Very low134 Ų134136.7 Ų136.782%0.82277%0.77SS**  -154.4135.7123.7160000114
55C31.1Very low37.8Very low114 Ų114139.3 Ų139.377%0.7776%0.763SS**  trans30.5105.1148.7-560000121.6
56S38.2Very low39Very low128 Ų128135.3 Ų135.390%0.89575%0.747SS**  10.2116.3125.6-45.50000119.2
57E37.1Very low40Very low194 Ų194133.1 Ų133.191%0.90774%0.735SS**  trans-115139.9148.5-176.1167.4-158.400109.4
58G41.1Very low40.8Very low61 Ų61129.7 Ų129.763%0.62972%0.722SS**  trans-166.2165.4-179.600000113
59L46.7Very low41.9Very low181 Ų181128.4 Ų128.495%0.94872%0.724SS**SBendtrans72.617.9178.3-50.4-178.9000117.3
60L43.9Very low43Very low136 Ų136125.7 Ų125.771%0.71272%0.72SS**  trans-121.3119.9148.3-78.5178.5000109.2W62L60-W62 PolarHBondContact O-N 2.72Å
61G50.1Low44.1Very low87 Ų87124.4 Ų124.490%0.89771%0.712SS**  trans-78.143.4-173.600000114.6
62W37.3Very low45.2Very low172 Ų172122.2 Ų122.265%0.65271%0.707SS**  trans-105.2107.3179.7-65.770.8000108.3L60L60-W62 PolarHBondContact O-N 2.72Å
63A49.8Very low45.2Very low44 Ų44120.8 Ų120.836%0.36470%0.696SS.*  trans-73.8135.4174.200000109K65 D66A63-K65 HydrophobicContact CB-CD 4.25Å; A63-K65 HydrophobicContact CB-CG 3.72Å; A63-K65 PolarHBondContact O-N 2.61Å; A63-D66 PolarHBondContact O-N 3.15Å
64Q47.5Very low45.6Very low172 Ų172119.5 Ų119.580%0.80469%0.692SS**THydrogen-bonded Turntrans-53.3-15.8-174.9-171.1172.6-14.900115.3
65K55.8Low46.1Very low157 Ų157117.6 Ų117.668%0.68368%0.68SS**Hα-helixtrans-71-25.4173.250.3-178.9172.3178.80115.4A63A63-K65 HydrophobicContact CB-CD 4.25Å; A63-K65 HydrophobicContact CB-CG 3.72Å; A63-K65 PolarHBondContact O-N 2.61Å
66D56.1Low46.1Very low89 Ų89118.8 Ų118.848%0.47668%0.678SS.*Hα-helixtrans-74.8-35.6-178.2-68.3-27.2000112A63 Q68 S69 E70A63-D66 PolarHBondContact O-N 3.15Å; D66-Q68 VanDerWaalsContact C-N 3.28Å; D66-Q68 PolarHBondContact O-N 2.82Å; D66-S69 PolarHBondContact O-N 2.98Å; D66-E70 PolarHBondContact O-N 3.3Å
67L51.9Low45.9Very low96 Ų96118 Ų11850%0.50367%0.673SS.*Hα-helixtrans-62.6-31.2179.1-74.4169.5000113.3S69 F71L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 3.42Å; L67-F71 HydrophobicContact CD2-CD2 4.16Å; L67-F71 HydrophobicContact CD2-CE2 4.14Å; L67-F71 PolarHBondContact O-N 2.86Å
68Q50.3Low45.8Very low114 Ų114116.7 Ų116.753%0.53367%0.667SS.*Hα-helixtrans-74.5-20.8176.7-63.4-166.2-70.900112.8D66D66-Q68 VanDerWaalsContact C-N 3.28Å; D66-Q68 PolarHBondContact O-N 2.82Å
69S54.5Low45.3Very low110 Ų110122.9 Ų122.977%0.76968%0.679SS**Hα-helixtrans-83.9-27.6176.5-167.60000113.4D66 L67D66-S69 PolarHBondContact O-N 2.98Å; L67-S69 VanDerWaalsContact C-N 3.3Å; L67-S69 PolarHBondContact O-N 3.42Å
70E53.5Low44.4Very low145 Ų145119.8 Ų119.868%0.67867%0.672SS**Hα-helixtrans-94.8-29.6-178.2-167.6168.5-158.700113.2D66D66-E70 PolarHBondContact O-N 3.3Å
71F53.4Low43.6Very low140 Ų140117.1 Ų117.161%0.61467%0.665SS**Hα-helixtrans-108.7-4-175-68.4-81.7000115.7L67 V73L67-F71 HydrophobicContact CD2-CD2 4.16Å; L67-F71 HydrophobicContact CD2-CE2 4.14Å; L67-F71 PolarHBondContact O-N 2.86Å; F71-V73 PolarHBondContact O-N 3.25Å
72G50.4Low42.7Very low64 Ų64122.6 Ų122.666%0.6666%0.664SS**  trans65.411.7168.500000116.6A74G72-A74 PolarHBondContact O-N 3.25Å
73V40.9Very low42.2Very low95 Ų95118.2 Ų118.258%0.57667%0.673SS**  trans-79.886.7178.9-172.50000110F71 T75F71-V73 PolarHBondContact O-N 3.25Å; V73-T75 HydrophobicContact CG1-CG2 4.14Å; V73-T75 PolarHBondContact O-N 2.86Å
74A38.1Very low41.1Very low77 Ų77121.6 Ų121.664%0.63669%0.694SS**  trans-70.3109162.800000109.1G72 D76G72-A74 PolarHBondContact O-N 3.25Å; A74-D76 PolarHBondContact O-N 2.68Å
75T40.3Very low40.2Very low93 Ų93118.4 Ų118.457%0.57169%0.69SS**  trans-85.690.7170.953.60000109V73 S77V73-T75 HydrophobicContact CG1-CG2 4.14Å; V73-T75 PolarHBondContact O-N 2.86Å; T75-S77 VanDerWaalsContact C-N 3.28Å; T75-S77 PolarHBondContact O-N 2.71Å
76D30.6Very low38.9Very low139 Ų139116 Ų11674%0.74369%0.693SS**  trans-69.284175.2-76-37000110.8A74 H78A74-D76 PolarHBondContact O-N 2.68Å; D76-H78 PolarHBondContact O-N 2.69Å
77S34.9Very low37.4Very low111 Ų111122.5 Ų122.578%0.77671%0.711SS**  trans-74.455179.6-64.10000112.8T75T75-S77 VanDerWaalsContact C-N 3.28Å; T75-S77 PolarHBondContact O-N 2.71Å
78H34.3Very low36.5Very low168 Ų168122.2 Ų122.278%0.77872%0.717SS**  trans-11476.4176.4-86.7-61.1000111.5D76D76-H78 PolarHBondContact O-N 2.69Å
79H30.4Very low35.7Very low191 Ų191125.3 Ų125.388%0.88473%0.731SS**  trans-129.6129.9160.9-86.9-73.8000112.3
80S28.1Very low34.5Very low116 Ų116126.2 Ų126.281%0.81173%0.728SS**  trans-81.2162.2-177.552.90000112.8
81S27.7Very low33.5Very low80 Ų80125.3 Ų125.356%0.55973%0.732SS**  trans-59.1164.6173.5-179.10000114.3
82F31.4Very low32.5Very low202 Ų202123.6 Ų123.689%0.88674%0.738SS**  trans88.2136.6161.7-48.7-68.9000119.5
83G26.5Very low31.7Very low80 Ų80128.6 Ų128.683%0.82574%0.744SS**  trans129.286.714200000116.6
84S27.2Very low31.3Very low115 Ų115130 Ų13080%0.80475%0.748SS**  trans-72.4154.6178.3-53.60000115.4
85S28.3Very low30.8Very low105 Ų105137.6 Ų137.673%0.73476%0.762SS**  trans75.6121.8139.357.10000123.4
86S28Very low30.3Very low105 Ų105138.4 Ų138.473%0.73477%0.771SS**  79.5108.1126.667.20000123.9
87W25.9Very low30.5Very low227 Ų227140.2 Ų140.286%0.8678%0.78SS**  73.9156.9126-145.9-79.4000120.8
88S32.3Very low30.3Very low89 Ų89139.1 Ų139.162%0.62279%0.787SS**  trans79.4109.7179.9-48.80000112.4
89Q32.8Very low30Very low179 Ų179134.5 Ų134.584%0.83678%0.784SS**  cis51.111844.7-80.2-168.7-12.800114
90D29.9Very low30Very low129 Ų129137.3 Ų137.369%0.6979%0.787SS**  trans-145.9158.3161.4-151.6-19.4000109.5
91T31.9Very low30.2Very low127 Ų127136.5 Ų136.578%0.77978%0.781SS**  trans6480.6-177.360.30000117.4
92S33.3Very low31.1Very low104 Ų104138.4 Ų138.473%0.72779%0.792SS**  trans-42.613815029.40000112.8
93Q32.6Very low31.1Very low169 Ų169135.4 Ų135.479%0.7979%0.79SS**  77.5144.164.3-76.4-167.3-11.500116.4
94N32.1Very low31.3Very low124 Ų124135.3 Ų135.366%0.66379%0.789SS**  trans82.7121.6165.7-52.6-55.8000118
95Y28.8Very low31.5Very low236 Ų236137.4 Ų137.493%0.92579%0.791SS**  -159.2138.995.7-93.2-68.4000111.5
96S30.3Very low31.9Very low110 Ų110139.2 Ų139.277%0.76980%0.798SS**  trans-127.6129.2172.7-70.90000111
97L34.8Very low32.2Very low178 Ų178137.5 Ų137.593%0.93280%0.796SS**  trans58.183.4151.9-61.8169.2000120.1
98G29.6Very low32.9Very low88 Ų88135.6 Ų135.691%0.90780%0.802SS**  89.6150.9122.300000121
99G29.2Very low33.1Very low71 Ų71135.2 Ų135.273%0.73281%0.813SS**  trans151.996.3156.300000120.3
100R30.4Very low33Very low249 Ų249135.1 Ų135.194%0.9481%0.809SS**  trans73.6152.5142.9-54.3172.870.8-169.82.8120.7
101S31.3Very low33.2Very low99 Ų99138.1 Ų138.169%0.69281%0.811SS**  trans-92.1168.1178.6-21.10000113.9
102P46.5Very low33.3Very low120 Ų120138.1 Ų138.178%0.77981%0.806SS**  -118.2127.9123.933.7-28000110.4
103V30.9Very low33.1Very low140 Ų140144.8 Ų144.885%0.84882%0.816SS**  74.6110.380.61740000113.3
104G31Very low33.1Very low77 Ų77141.1 Ų141.179%0.79481%0.808SS**  trans-164.285.6173.900000110
105D31.3Very low33.3Very low160 Ų160139.8 Ų139.886%0.85681%0.809SS**  trans-72.3134.6-172.3-114-44.4000113
106T37.8Very low33.8Very low143 Ų143137 Ų13788%0.87780%0.802SS**  trans-164.7146.6154.90.20000111.3
107G33.2Very low33.7Very low68 Ų68137.4 Ų137.470%0.70180%0.803SS**  trans95.962.7158.300000118.7
108L41Very low33.8Very low187 Ų187132.3 Ų132.398%0.97979%0.793SS**  trans26.797.7131.5-64.8163.8000118.3
109G36.4Very low33.7Very low82 Ų82137.3 Ų137.385%0.84579%0.793SS**  trans-169.140.5173.700000115.5
110K30.9Very low33.7Very low177 Ų177137.6 Ų137.677%0.7780%0.796SS**  trans-100.8123.1-162.2-141.4-169.2-174.51730115.3
111R33.6Very low33.8Very low192 Ų192131.3 Ų131.373%0.72579%0.79SS**  trans94.5119.7160.2-63.7162-70.9-168.1-3.1118.1
112D33.4Very low33.8Very low127 Ų127129.5 Ų129.568%0.67979%0.787SS**  51.9148110.6-36.9-22.4000120.4
113W29.8Very low33.1Very low244 Ų244133.3 Ų133.392%0.92480%0.795SS**  trans69.6142.5177.3-55.384.1000113.7
114S32.6Very low33.4Very low91 Ų91129.7 Ų129.764%0.63679%0.786SS**  cis-174.3-148.3-12.354.50000107.7
115S36.7Very low33.3Very low97 Ų97130.8 Ų130.868%0.67878%0.781SS**  trans88.1143.3148.482.50000117.5
116K39.7Very low33.5Very low178 Ų178128.9 Ų128.977%0.77478%0.776SS**  cis-149.3132-12.5-113.9157.159.7-171.30106.6
117C28.5Very low33.7Very low117 Ų117130.1 Ų130.179%0.79176%0.764SS**  58.8126.487-49.10000114.1
118G35.8Very low33.9Very low71 Ų71132.2 Ų132.273%0.73276%0.756SS**  trans127.286.3-171.100000109.4
119Q27.2Very low33.5Very low193 Ų193133.3 Ų133.390%0.90275%0.747SS**  cis65.4107.321.5-168.71805.500113.7
120G29.3Very low33.5Very low78 Ų78133.1 Ų133.180%0.80474%0.738SS**  trans116.365.7157.400000118.4
121S33.8Very low33.6Very low116 Ų116129.2 Ų129.281%0.81173%0.732SS**  -168.9144.5125.6-143.40000108.5
122G30.7Very low33.5Very low61 Ų61132 Ų13263%0.62974%0.743SS**  cis101.8131.2500000112
123E31.2Very low33.3Very low201 Ų201133.3 Ų133.394%0.93975%0.745SS**  trans74.6153.4171.7-153.4154.5-145.900116.8
124G37.2Very low33.2Very low63 Ų63126.9 Ų126.965%0.64974%0.737SS**  trans68.781-176.300000114.3
125S29.8Very low33Very low101 Ų101130 Ų13071%0.70675%0.746SS**  cis55.6137.333.7-163.80000114
126T35.8Very low32.5Very low120 Ų120129 Ų12974%0.73675%0.75SS**  trans73.6146.4174.382.70000116.1
127R40.3Very low32.1Very low168 Ų168129.6 Ų129.663%0.63476%0.756SS**  cis-176.6151.6-19.353.8-167.3-103.1-84.9-10.6109
128E37.4Very low33Very low112 Ų112131.5 Ų131.552%0.52375%0.753SS.*  trans64.5161.1145.5-66.5159.8-131.700117.9
129W32.8Very low33.2Very low210 Ų210134 Ų13480%0.79575%0.754SS**  cis-136.9141-7.9-113.1-19.2000108
130A35.9Very low33.9Very low79 Ų79132.4 Ų132.465%0.65375%0.75SS**  53.2137.199.500000114.2
131S34.3Very low34.4Very low94 Ų94131.6 Ų131.666%0.65774%0.741SS**  cis152.8151.47-91.30000103.9
132R30.8Very low35Very low250 Ų250135 Ų13594%0.94375%0.748SS**  trans-141136140.9-68.3-164.8-170-115.10.9109.9
133H28.7Very low35.4Very low155 Ų155135.6 Ų135.672%0.71876%0.755SS**  trans-79.2178.6167.4-70.6-109.2000108.8
134S27.4Very low35.7Very low110 Ų110130.1 Ų130.177%0.76975%0.752SS**  cis-157.6152.535.2-66.30000109.7
135L28.8Very low35.8Very low157 Ų157131.9 Ų131.982%0.82276%0.755SS**  cis77.4112.843.6-156.7177.1000112.8
136G27.8Very low35.9Very low74 Ų74135 Ų13576%0.76376%0.758SS**  trans172136.3170.300000113.9
137Q29.4Very low35.8Very low191 Ų191134.7 Ų134.789%0.89375%0.752SS**  trans-120.9167.9179.6-174.2172.7-400111
138E47.9Very low35.4Very low158 Ų158134.5 Ų134.574%0.73876%0.758SS**  trans-95.6150.5-16767.2-157.1129.400116.3
139V39.4Very low34.9Very low124 Ų124134.3 Ų134.375%0.75277%0.769SS**  trans56.2125.51441710000118.9
140I42.7Very low34.6Very low159 Ų159133 Ų13382%0.81577%0.772SS**  cis-157.1154.6-2.8-115.9173.2000109
141G39.9Very low34Very low60 Ų60135.4 Ų135.462%0.61978%0.778SS**  trans91.779.7146.100000119.8G143G141-G143 PolarHBondContact O-N 3.04Å
142I46.2Very low35.2Very low187 Ų187136.2 Ų136.296%0.95978%0.781SS**SBendtrans44.357.2153.3-33.9177.4000115.7
143G39.3Very low35Very low75 Ų75130 Ų13077%0.77377%0.771SS**  trans-179.5-175.3176.100000116.2G141G141-G143 PolarHBondContact O-N 3.04Å
144G37.7Very low35Very low85 Ų85132.9 Ų132.988%0.87678%0.776SS**  trans99.3132.717200000114.8
145S39.6Very low35.2Very low100 Ų100132.5 Ų132.570%0.69976%0.762SS**  trans-151151.4178.957.20000110.8
146Q32.3Very low35.3Very low166 Ų166135.4 Ų135.478%0.77676%0.762SS**  trans67.2161168-60.9-174.6-96.800115.9
147D32.3Very low35.5Very low114 Ų114135.6 Ų135.661%0.6176%0.756SS**  cis-159.8161.2-25.9-104.5-20.9000112.2
148E33.3Very low35.4Very low164 Ų164133.9 Ų133.977%0.76676%0.758SS**  trans34.5140.3141.4-59.2-168.3126.900125.7
149S26.7Very low34.3Very low109 Ų109129.8 Ų129.876%0.76276%0.758SS**  trans74.1168.5136.183.70000119.4
150E26.6Very low33.7Very low183 Ų183135.6 Ų135.686%0.85577%0.766SS**  cis-148.1-152.4-20.4-130.7-174.6-173.900111.3
151V23.6Very low33.7Very low128 Ų128134.2 Ų134.278%0.77677%0.768SS**  trans-112.6-128.1-160.7-159.30000115.8
152P57.9Low33.3Very low111 Ų111135.3 Ų135.372%0.72177%0.771SS**  trans-118.1-160.4-139.839-19.3000115.5
153V26.5Very low33.3Very low120 Ų120135.4 Ų135.473%0.72777%0.768SS**  trans143.7119.7137.4165.90000115.5
154R30.3Very low33Very low216 Ų216140.4 Ų140.482%0.81578%0.775SS**  trans34.9167.6131.1-72.7178.3-177.8-1199.5122.4
155E31.7Very low32.6Very low102 Ų102139.7 Ų139.748%0.47777%0.769SS.*  cis-179.7141.7-13.1162.7174.9178.600111.6
156R29.5Very low32.1Very low218 Ų218139.6 Ų139.682%0.82377%0.773SS**  trans62.3167.7152.3-168.2-170.9-61-126.33.6119.5
157A31.7Very low32Very low78 Ų78141 Ų14165%0.64578%0.78SS**  -169.9176.9-58.400000110.3
158V28.4Very low31.9Very low155 Ų155138.9 Ų138.994%0.93979%0.785SS**  trans74.8142.3167.7-170.70000115.5
159G24.7Very low32.5Very low71 Ų71139.5 Ų139.573%0.73279%0.793SS**  cis-175-174.2-0.600000115.1
160R26.8Very low33.2Very low246 Ų246143.2 Ų143.293%0.92880%0.798SS**  trans-75.8168.1-179.4-102.3-176.7-177.6-153.71.9113.3
161P42.4Very low33.6Very low131 Ų131138.1 Ų138.185%0.85179%0.787SS**  cis-141.1-144.444.641.2-18.5000115.9
162A31.1Very low34.1Very low83 Ų83139 Ų13969%0.68679%0.788SS**  trans-146.4157.4-152.700000118.6
163Q47.6Very low33.3Very low189 Ų189136.9 Ų136.988%0.88378%0.78SS**  trans62.6122.8152.8-72.9178-1100122.6
164L31.8Very low33.7Very low179 Ų179139.1 Ų139.194%0.93778%0.782SS**  trans-170.9132.8149.7-115.1171.3000113
165G30.6Very low33.8Very low71 Ų71136.2 Ų136.273%0.73278%0.778SS**  trans64.5115.2158.900000119
166A28.3Very low33.9Very low97 Ų97141.4 Ų141.480%0.80279%0.793SS**  cis110.4129.413.200000115.5
167Q30.6Very low33.9Very low195 Ų195138 Ų13891%0.91179%0.787SS**  trans73.896.8172-58.6-171.22.900119.7
168G30Very low33.9Very low70 Ų70143.9 Ų143.972%0.72280%0.798SS**SBendtrans156.884151.900000115.8
169L45.9Very low34.2Very low178 Ų178140.2 Ų140.293%0.93279%0.791SS**SBendcis-103.6106.4-17-94.4160.6000106.3
170E41.5Very low34.7Very low186 Ų186144.9 Ų144.987%0.86979%0.792SS**SBendtrans46.272.2-176.2-150.6119.9-121.400114.6
171A35.3Very low35.1Very low76 Ų76141.9 Ų141.963%0.62878%0.78SS**  trans-58.3159.3169.200000111.9
172D34.2Very low34.6Very low146 Ų146143.6 Ų143.678%0.78178%0.777SS**  cis-146.6138.116.3-136.315.7000106.2
173A40.3Very low34.7Very low67 Ų67144 Ų14455%0.55477%0.774SS**  45.4132.673.700000113.7
174Q34.7Very low33.8Very low168 Ų168143.6 Ų143.679%0.78577%0.773SS**  cis-164.4169.80.8-129.8167.113.500110.5
175Q33Very low33.9Very low155 Ų155142.5 Ų142.572%0.72477%0.768SS**  trans67.8124.1159.1-70.8177.13.600118
176W32.6Very low34.5Very low211 Ų211143.8 Ų143.880%0.79976%0.763SS**  cis-128.6113.8-1.6-101.487.5000111F178W176-F178 HydrophobicContact CE3-CD2 4.39Å; W176-F178 HydrophobicContact CZ3-CD2 4.03Å
177E29.7Very low34.5Very low146 Ų146147.7 Ų147.768%0.68277%0.765SS**  trans-69.4145.4146.4-65.4-178.3101.200108.6
178F31.8Very low34.2Very low202 Ų202142.8 Ų142.889%0.88675%0.752SS**  -167.5133.8118-115.7-78.2000110.3W176W176-F178 HydrophobicContact CE3-CD2 4.39Å; W176-F178 HydrophobicContact CZ3-CD2 4.03Å
179G34.5Very low34.2Very low77 Ų77146.3 Ų146.379%0.79475%0.752SS**  trans121.869.5-179.600000114.3
180K36.3Very low33.5Very low170 Ų170145.4 Ų145.474%0.73974%0.743SS**  trans-144.9155.5178.6-115.5-75.2-173179.20110.1
181R35.9Very low32.9Very low182 Ų182142.5 Ų142.569%0.68773%0.734SS**  trans75.2143.3179.1-68.1162.1-83.9-101.6-1.5113.5
182E31.2Very low33Very low168 Ų168146.5 Ų146.579%0.78574%0.737SS**  cis-143.4173.53.7-119.7138.5-128.800108.3
183S33.4Very low32.9Very low90 Ų90146 Ų14663%0.62973%0.73SS**  cis-164.3157.628.754.70000114
184Q27.8Very low32.7Very low182 Ų182149.1 Ų149.185%0.8574%0.737SS**  trans64122.5146.7-70.5170.8-1.300123.1
185D35Very low32.7Very low155 Ų155147.8 Ų147.883%0.82973%0.73SS**  trans-95.7166.5140.3-52.3-73000109
186P42Very low32.7Very low99 Ų99145.7 Ų145.764%0.64372%0.724SS**  -160170.284.343.3-23.3000119.2
187H27.9Very low32.6Very low179 Ų179143.9 Ų143.983%0.82973%0.725SS**  trans72.2155154.5-57.6-41.3000120.9
188S25.5Very low32.8Very low92 Ų92143.4 Ų143.464%0.64372%0.722SS**  cis-175.6155.5-37.7-132.10000114.1
189I29.9Very low33Very low143 Ų143140.1 Ų140.173%0.73371%0.708SS**  trans79.9139.7142.2-75.2162.8000123.8
190H30.7Very low32.8Very low159 Ų159139.5 Ų139.574%0.73670%0.701SS**  trans69.7120.4156.2-84.5-31.6000125.7
191D29.9Very low32.8Very low125 Ų125138 Ų13867%0.66870%0.695SS**  38.1142.3110.2-72.5-63.3000124.7
192K36.4Very low32.9Very low161 Ų161138.5 Ų138.570%0.770%0.697SS**  trans65.6115.5142.1-84.9174.6160.5-83.20121.5
193E31.8Very low32.9Very low135 Ų135136.1 Ų136.163%0.63169%0.689SS**  71150.9111.6-149.4180155.800119.6
194L37Very low32.7Very low133 Ų133136.7 Ų136.770%0.69669%0.694SS**  trans68.9156.8173.5-45.8-177.4000115.4
195Q33.6Very low32.8Very low139 Ų139136.7 Ų136.765%0.6570%0.699SS**  cis-159.5153.1-34.7-118-177.8-66.300107.3
196D34.8Very low32.6Very low112 Ų112132.4 Ų132.460%0.59969%0.691SS**  trans47.5167.7143.2-53.7-13.9000121.8
197Q29.2Very low32Very low173 Ų173133.5 Ų133.581%0.80870%0.701SS**  trans67.7155.8165.3-68.716072.900114.7
198E35.2Very low31.9Very low135 Ų135134.3 Ų134.363%0.63170%0.703SS**  cis-144157.34.9-145.3-178.1179.700110.8
199F35.9Very low31.9Very low133 Ų133135.1 Ų135.158%0.58371%0.708SS**  trans55.5121.7167-62.1-53.1000118K201F199-K201 HydrophobicContact CD1-CD 4Å; F199-K201 HydrophobicContact CD1-CG 4.17Å; F199-K201 VanDerWaalsContact CD1-NZ 3.32Å; F199-K201 HydrophobicContact CE1-CD 4.44Å; F199-K201 HydrophobicContact CG-CD 4.49Å; F199-K201 VanDerWaalsContact CZ-NZ 3.33Å
200G29.1Very low31.8Very low64 Ų64134.2 Ų134.266%0.6671%0.709SS**  cis75.8159.414.400000112.8
201K37.5Very low31.6Very low138 Ų138136.8 Ų136.860%0.671%0.712SS**  trans81.1141.9-169.2-51.1163-176.91460114.4F199F199-K201 HydrophobicContact CD1-CD 4Å; F199-K201 HydrophobicContact CD1-CG 4.17Å; F199-K201 VanDerWaalsContact CD1-NZ 3.32Å; F199-K201 HydrophobicContact CE1-CD 4.44Å; F199-K201 HydrophobicContact CG-CD 4.49Å; F199-K201 VanDerWaalsContact CZ-NZ 3.33Å
202R36.9Very low31.5Very low193 Ų193136.7 Ų136.773%0.72871%0.712SS**  cis-165162-21-116.8-167.8-119.9162.5-5.5110.2
203D30.4Very low31.2Very low118 Ų118134.1 Ų134.163%0.63172%0.721SS**  trans54.2107.3137.9-56.7-4.9000122.1
204S30.2Very low31.5Very low103 Ų103132 Ų13272%0.7272%0.721SS**  92.3159104.8-64.50000122.6
205L29.7Very low31.5Very low182 Ų182133.3 Ų133.395%0.95373%0.728SS**  trans74.2117.6163.7-68159000117
206G30.4Very low31.3Very low65 Ų65133.9 Ų133.967%0.6773%0.731SS**  trans-179.718.3178.600000116.3F208G206-F208 PolarHBondContact O-N 3.34Å; G206-F208 VanDerWaalsContact O-N 3.11Å
207S29.9Very low31Very low122 Ų122134.5 Ų134.585%0.85373%0.734SS**  trans-75.298.7176.3-680000111.1
208F26.3Very low31.1Very low196 Ų196136.2 Ų136.286%0.8673%0.733SS**  trans-125.7112.6167.3-77-77000111.9G206G206-F208 PolarHBondContact O-N 3.34Å; G206-F208 VanDerWaalsContact O-N 3.11Å
209S25.8Very low30.9Very low108 Ų108136.7 Ų136.776%0.75574%0.735SS**  trans-80.4174.8153.6-175.30000109
210T27.5Very low30.6Very low124 Ų124138.2 Ų138.276%0.76174%0.742SS**  trans84.3110.8178.7-34.70000112.3
211R26.1Very low30.6Very low213 Ų213137.2 Ų137.280%0.80473%0.732SS**  80.4136.867.5-125.3-171.6179.6132.21.6113.4
212D27.8Very low30.5Very low124 Ų124139.9 Ų139.966%0.66374%0.743SS**  trans55.7103.9156.5-50.2-31000119.4
213A30.8Very low30.4Very low107 Ų107139.7 Ų139.788%0.88474%0.743SS**  trans-114.658153.400000109.5L215A213-L215 PolarHBondContact O-N 3.03Å
214S36.7Very low30.2Very low90 Ų90138.4 Ų138.463%0.62975%0.748SS**  trans-84.3102.5174.655.20000110.6
215L36.8Very low30.2Very low161 Ų161138.5 Ų138.584%0.84375%0.749SS**  trans-115.296.4162-65.6171.8000105.8A213A213-L215 PolarHBondContact O-N 3.03Å
216Q30.1Very low30.1Very low151 Ų151136.4 Ų136.471%0.70674%0.743SS**  6389.481.4-68.4-165.2-35.100113
217D28.1Very low29.9Very low124 Ų124137.5 Ų137.566%0.66374%0.741SS**  55.3123.4117.6-42.3-26.5000119.3
218W31.6Very low29.7Very low210 Ų210138 Ų13880%0.79574%0.739SS**  173.598.3110.1-99.280.6000105.8F220W218-F220 AromaticContact CE3-CD2 3.8Å; W218-F220 HydrophobicContact CE3-CD2 3.8Å; W218-F220 HydrophobicContact CE3-CE2 4.33Å; W218-F220 HydrophobicContact CH2-CE2 4.34Å; W218-F220 AromaticContact CZ3-CD2 3.54Å; W218-F220 HydrophobicContact CZ3-CD2 3.54Å; W218-F220 AromaticContact CZ3-CE2 3.76Å; W218-F220 HydrophobicContact CZ3-CE2 3.76Å
219E31.2Very low29.8Very low144 Ų144135.9 Ų135.967%0.67374%0.736SS**  44.8117.783.5-60.2-152.7133.300114.3
220F30.6Very low29.9Very low165 Ų165138.4 Ų138.472%0.72474%0.737SS**  -178.3122.599.7-119.1-93000115.6W218W218-F220 AromaticContact CE3-CD2 3.8Å; W218-F220 HydrophobicContact CE3-CD2 3.8Å; W218-F220 HydrophobicContact CE3-CE2 4.33Å; W218-F220 HydrophobicContact CH2-CE2 4.34Å; W218-F220 AromaticContact CZ3-CD2 3.54Å; W218-F220 HydrophobicContact CZ3-CD2 3.54Å; W218-F220 AromaticContact CZ3-CE2 3.76Å; W218-F220 HydrophobicContact CZ3-CE2 3.76Å
221G29.2Very low29.9Very low44 Ų44138.8 Ų138.845%0.45473%0.734SS.*  60.693.6122.600000121.7R223G221-R223 PolarHBondContact O-NE 3.2Å; G221-R223 PolarHBondContact O-NH2 2.91Å
222K34.5Very low30Very low193 Ų193134.4 Ų134.484%0.83973%0.731SS**  trans-129126.9132.7-76-126.4-176.2177.30111.4
223R34Very low30Very low190 Ų190135.3 Ų135.372%0.71774%0.736SS**  cis-167.8155.2-28.4-140.3156.8-84.7-162.6-8109.6G221G221-R223 PolarHBondContact O-NE 3.2Å; G221-R223 PolarHBondContact O-NH2 2.91Å
224A27.9Very low29.9Very low91 Ų91138.7 Ų138.775%0.75273%0.733SS**  trans65.6131.3169.300000116
225S28.9Very low29.5Very low105 Ų105140.5 Ų140.573%0.73474%0.736SS**  cis-143.1140-5.5-76.80000107.7
226V27.6Very low29.5Very low137 Ų137137.8 Ų137.883%0.8372%0.722SS**  59.1121.865.3-1790000110.3
227S26.4Very low29.4Very low88 Ų88138.4 Ų138.462%0.61573%0.725SS**  cis-143.1153.817.7500000114
228T26.8Very low29.7Very low134 Ų134140.6 Ų140.682%0.82273%0.732SS**  trans-70.7138.9149.3-50.30000108.7
229N26.9Very low29.9Very low150 Ų150137.8 Ų137.880%0.80273%0.731SS**  trans-139.5142.4156.6-86.4-28.6000108.3
230Q29Very low30.1Very low162 Ų162134.6 Ų134.676%0.75774%0.737SS**  trans-134.3137.7165.7176.3168.22.100108
231D26.2Very low30Very low131 Ų131134.7 Ų134.770%0.70174%0.742SS**  trans68.9162.6172.7-56.9-19.9000118.8
232T28.1Very low30.3Very low122 Ų122141.3 Ų141.375%0.74876%0.758SS**  trans65.588.2-174.850.40000117.7
233D27.7Very low30.1Very low143 Ų143138.9 Ų138.977%0.76575%0.754SS**  89.8136.4117.1-60.6-27.4000122.9
234E29.2Very low30.2Very low178 Ų178137.6 Ų137.683%0.83276%0.761SS**  trans68.7130.9149.8-70.8-177.8149.100122.6
235N28.6Very low30.2Very low128 Ų128138.8 Ų138.868%0.68476%0.763SS**  trans75.9133149.8-89.241.1000123
236D36Very low30Very low104 Ų104145.8 Ų145.856%0.55677%0.774SS**  trans66.7110.5145.7-55.2-31.2000118.6
237Q29.8Very low30Very low164 Ų164142.4 Ų142.477%0.76677%0.766SS**  72.5143.961.4-67.3-174.591.400113.3
238E33.8Very low30.2Very low170 Ų170149.6 Ų149.679%0.79478%0.782SS**  trans66.9150.1171.5-53.6-145.6121.800116.9
239L35.8Very low30.3Very low150 Ų150148.4 Ų148.479%0.78578%0.779SS**  cis-157.5121-26.7-108.5179.6000105.9
240G34.3Very low30.7Very low78 Ų78145.6 Ų145.680%0.80477%0.771SS**  trans-152.14.7-165.800000119.8
241M30.3Very low31Very low166 Ų166144.7 Ų144.782%0.81877%0.767SS**  trans-71.4134.2175.4-59.6-128.88400111.7
242K33.5Very low31.2Very low184 Ų184145 Ų14580%0.877%0.769SS**  164112.4128.8-82141-139.9156.10114.2
243N31.6Very low31.5Very low141 Ų141143.3 Ų143.375%0.75477%0.766SS**  46.9110.2128.9-52.4-11.8000122.2
244L35.2Very low31.9Very low164 Ų164144.9 Ų144.986%0.85977%0.769SS**  43129.1121.2-64.7168.9000121.8
245S28.9Very low32.2Very low115 Ų115144 Ų14480%0.80477%0.765SS**  trans123.8153.1137.3-53.70000116.2
246R24.4Very low32.3Very low253 Ų253144.7 Ų144.796%0.95576%0.764SS**  trans70.5148.9-179-169.8-177.7-75.7-144.8-2.3113
247G27.9Very low32.3Very low65 Ų65144.4 Ų144.467%0.6776%0.763SS**  cis169.1172-7.200000110.8
248Y30.3Very low32.4Very low240 Ų240145.7 Ų145.794%0.94176%0.761SS**  trans-70.1173.8-173.5-87.5-91.7000115.9
249S29.2Very low32.3Very low108 Ų108143.7 Ų143.776%0.75575%0.751SS**  trans82161.7168.4-115.40000115.6
250S35.6Very low32.1Very low92 Ų92143.5 Ų143.564%0.64374%0.744SS**  cis-159.7168.59.2-106.70000108.9
251Q33.8Very low32Very low143 Ų143148.2 Ų148.267%0.66875%0.746SS**  cis175.7153.4-17.9164.6176.1-3.800110.9
252D32.1Very low32Very low138 Ų138146.8 Ų146.874%0.73874%0.735SS**  trans50.6147.7159.9-61.4-21.2000124
253A33.8Very low31.8Very low85 Ų85148.1 Ų148.170%0.70274%0.735SS**  trans-144.5121.413000000109.1
254E36.7Very low31.6Very low176 Ų176149.3 Ų149.382%0.82274%0.741SS**  53.4142.7126.1-72.5170.6161.400120.7
255E35Very low31.3Very low161 Ų161147 Ų14775%0.75274%0.739SS**  cis-147.4145.110.4-116.3176.1159.300109.3
256Q30.8Very low31.3Very low142 Ų142147.8 Ų147.866%0.66474%0.738SS**  52.5139.797.8-67.2-80.7-80.900116.7
257D35.1Very low31.5Very low98 Ų98143.1 Ų143.152%0.52473%0.731SS.*  cis-168.1168-21.7-155.93.9000110.4
258R32.9Very low31.4Very low190 Ų190147.1 Ų147.172%0.71774%0.738SS**  trans66.1164.7155.4-74.7171.3-135.4-174.26.5121
259E32.3Very low31.3Very low128 Ų128141.1 Ų141.160%0.59872%0.721SS**  cis173.4121.2-31.7173.7-177.1-166.800106.9
260F30Very low31.3Very low147 Ų147142.3 Ų142.365%0.64571%0.714SS**  -177.9107.5119.3-106.2-60.3000113.2K262F260-K262 HydrophobicContact CD1-CD 4.38Å
261E33.6Very low30.9Very low177 Ų177141.5 Ų141.583%0.82772%0.72SS**  trans-68.1129.4158.1173.9-171.7-150.200110.1
262K29Very low30.7Very low135 Ų135141 Ų14159%0.58773%0.732SS**  trans-168.5117151.5-103.6135.3-158.6159.30114.9F260F260-K262 HydrophobicContact CD1-CD 4.38Å
263R29.7Very low30.4Very low213 Ų213145.7 Ų145.780%0.80474%0.739SS**  trans68.486.6146.5-51178.2-167.3111.6-5.7118.5
264D27Very low30.1Very low166 Ų166146 Ų14689%0.88874%0.743SS**  trans-96.1112.4140.9-79.5-43.5000109.6
265S29.1Very low29.9Very low115 Ų115144.6 Ų144.680%0.80475%0.746SS**  trans-172.298.2167.9-81.20000111
266V28.9Very low29.6Very low132 Ų132141 Ų14180%0.874%0.743SS**SBendtrans164.4132.4144.21510000109.7
267L28.3Very low29.4Very low154 Ų154143.5 Ų143.581%0.80676%0.755SS**  trans56.5113.3-176-87.274.8000115.1
268D25.6Very low29.1Very low150 Ų150147.7 Ų147.780%0.80277%0.772SS**  cis82.4149.131.3-157.217.4000115.3
269I29.6Very low29Very low114 Ų114146.7 Ų146.759%0.58578%0.781SS**  trans89.4111.1173.5-54.2-176.7000117.9
270H28.1Very low28.8Very low132 Ų132149 Ų14961%0.61179%0.792SS**  trans70.2102.4160.1-68.1-43.3000121.4S767H270-S767 WeakPolarHBondContact NE2-CB 3.11Å
271G28.5Very low28.8Very low75 Ų75150.8 Ų150.877%0.77380%0.802SS**  trans179.692.7161.300000111.7R273G271-R273 PolarHBondContact O-N 3.17Å
272S28.2Very low28.7Very low132 Ų132153.3 Ų153.392%0.92381%0.811SS**  trans-68.9126.3-165.6-58.80000114.9
273R26.4Very low28.8Very low237 Ų237150 Ų15089%0.89481%0.814SS**  trans-102.6119.7175.9175.7-173.9-179.9-178.61.8111.6G271G271-R273 PolarHBondContact O-N 3.17Å
274A27.3Very low28.8Very low93 Ų93149.4 Ų149.477%0.76982%0.818SS**  trans-160.369173.800000116
275T31.8Very low28.8Very low146 Ų146147.1 Ų147.190%0.89681%0.814SS**  trans-148.965.9168.6400000113.1
276A28.6Very low28.7Very low84 Ų84145.8 Ų145.869%0.69481%0.811SS**SBendtrans-158.443.6174.400000116.2
277Q26.8Very low28.7Very low195 Ų195150.7 Ų150.791%0.91182%0.815SS**  trans177.5120157.1-108.4172.3-38.300111.9
278Q30.2Very low28.5Very low186 Ų186152.3 Ų152.387%0.86982%0.816SS**  trans-166.5115.8131.8-114.7176.6-3.100109.9
279N29.3Very low28.5Very low170 Ų170153.3 Ų153.391%0.90982%0.816SS**  trans-146.155.3172.2-138.4-16.4000109.2
280Q29.3Very low28.4Very low177 Ų177153.7 Ų153.783%0.82782%0.819SS**  trans-152.7151.1172.1-114.5173.53.400108.3
281E30.3Very low28.5Very low183 Ų183158.4 Ų158.486%0.85583%0.833SS**  trans61.875-179.5-55.9-161.9154.900117.1
282F30.4Very low28.6Very low231 Ų231160.4 Ų160.4100%1.01384%0.835SS**  trans-126.8109131-111.8-85.9000108.9
283G32Very low28.8Very low64 Ų64159.7 Ų159.766%0.6683%0.83SS**  trans-158.6110.3-167.100000115.2
284K28.4Very low28.9Very low202 Ų202152 Ų15288%0.87882%0.824SS**  trans79.891.8154.1-53.9170.2-172.4171.50117.7
285S28.2Very low28.8Very low117 Ų117151.7 Ų151.782%0.81883%0.83SS**  64.1117.4126640000121
286A27.1Very low28.8Very low88 Ų88148.8 Ų148.873%0.72783%0.829SS**  -155.9120.7122.900000113.1
287W27.5Very low28.7Very low235 Ų235148.6 Ų148.689%0.8984%0.835SS**  trans60.9115.9144.2-69.458.5000121.9
288F25.3Very low28.8Very low188 Ų188143.9 Ų143.983%0.82582%0.824SS**  35153.4126.7-80.5-86.7000123.2
289Q25.9Very low28.8Very low171 Ų171146 Ų14680%0.79982%0.824SS**  trans78132.1175.2-58.6179.9-78.700114.2
290D27.6Very low28.9Very low121 Ų121143.4 Ų143.465%0.64781%0.814SS**  cis-148.2140.7-7.6-89.6-39.8000109.6
291Y29.8Very low29Very low231 Ų231143.3 Ų143.391%0.90682%0.818SS**  trans-157.570.4151.7-92.7-58.8000112.2
292S30.6Very low28.9Very low117 Ų117137.9 Ų137.982%0.81881%0.812SS**  trans-11576.2158.3-76.20000109.7
293S31.7Very low28.9Very low117 Ų117133.1 Ų133.182%0.81881%0.807SS**  trans-174.7145.6164.1-83.60000109
294G28.8Very low28.7Very low76 Ų76138.5 Ų138.578%0.78482%0.815SS**  cis-151.2-153.52.300000111
295G26Very low29.1Very low86 Ų86137.6 Ų137.689%0.88781%0.814SS**  cis-99.2152.47.300000115
296G30.3Very low29.2Very low85 Ų85140.6 Ų140.688%0.87681%0.807SS**  trans-108.4147.716700000111.4
297G27.5Very low29.4Very low80 Ų80138.9 Ų138.983%0.82580%0.798SS**  trans157.4111.7179.800000109
298S28.8Very low29.6Very low96 Ų96137.8 Ų137.867%0.67180%0.8SS**  cis-159.6131.524.5-1760000111.7
299R30.2Very low29.7Very low232 Ų232132.5 Ų132.588%0.87580%0.799SS**  trans68.5159.2156.1-63.3168.5-167.8-142.90.6115.3
300V31.4Very low30.1Very low114 Ų114131.5 Ų131.569%0.69180%0.797SS**  cis-160.3143.4-8113.10000109.8
301L30.9Very low30.1Very low175 Ų175137.3 Ų137.392%0.91681%0.81SS**  trans60.9159.1173.9-62.3161.1000115.9
302G28Very low30.2Very low70 Ų70130.7 Ų130.772%0.72280%0.797SS**  cis166.998-8.200000111.5
303S31.5Very low30.5Very low130 Ų130132.5 Ų132.591%0.90980%0.797SS**  trans-80.1143.8-171.5-47.90000114.4
304Q28Very low30.2Very low178 Ų178132.1 Ų132.183%0.83279%0.794SS**  trans-142.4127.2158.6-176159.371.900112.3
305E36.9Very low30.2Very low182 Ų182134.2 Ų134.285%0.8580%0.797SS**  trans-109.3145.5179.8-177.5-176.7-167.300111.2
306R29.2Very low30.3Very low181 Ų181133.3 Ų133.368%0.68379%0.788SS**  trans-165.5132.8166.9-159.9-174.9-55.9-133.30.5109.4G805R306-G805 PolarHBondContact NH1-O 3.3Å
307G32.3Very low30.1Very low51 Ų51139 Ų13953%0.52679%0.789SS.*  cis161.8103.8-8.500000113
308F32.2Very low30.2Very low212 Ų212139.6 Ų139.693%0.9378%0.78SS**  trans62.4145.6159.8-57.7-78000122.2
309G27.1Very low30.9Very low78 Ų78140.5 Ų140.580%0.80478%0.784SS**  trans171.988.2168.200000113.8
310I34Very low31.1Very low149 Ų149136.6 Ų136.676%0.76478%0.776SS**  trans-106.3141.3-174.7-61.4169000111.6
311R26.6Very low31.3Very low243 Ų243140.9 Ų140.992%0.91779%0.788SS**  trans-152.9133.2147.8-154.9172.7-72.2-135.21.3114.9
312S31.7Very low31.9Very low92 Ų92136.9 Ų136.964%0.64378%0.78SS**  trans-74.2172.4171.4-48.10000112.6
313L36.8Very low32.7Very low155 Ų155142.9 Ų142.981%0.81279%0.789SS**  cis-168.1175.93.4-130168.8000110.2
314S26.1Very low33.1Very low109 Ų109145 Ų14576%0.76279%0.785SS**  trans87.2158.2157.384.20000118.9
315S29.5Very low33.5Very low120 Ų120145.6 Ų145.684%0.83979%0.788SS**  cis-178.1140.4-34.8-179.20000112
316G27.3Very low33.9Very low67 Ų67144.4 Ų144.469%0.69179%0.787SS**  trans96.2150.917200000114
317F26.2Very low34.6Very low206 Ų206145.1 Ų145.190%0.90480%0.798SS**  cis-125.7141.40.3-85.1-106.5000109.1
318S30.4Very low35.1Very low92 Ų92150.8 Ų150.864%0.64381%0.811SS**  75.1137.391-148.70000114.9
319P43.1Very low35.4Very low115 Ų115149.9 Ų149.975%0.74781%0.807SS**  trans-113.7102.4-165.636.6-21.5000113.9
320E33.6Very low35.9Very low150 Ų150154.8 Ų154.870%0.70181%0.809SS**  trans-14328.8-172-145.686.2-14100113.8
321E36.4Very low36Very low203 Ų203156.6 Ų156.695%0.94981%0.811SS**  trans-110.328.1-171.6-67.8171.6134.200113.9
322A42.5Very low36.7Very low91 Ų91154.9 Ų154.975%0.75281%0.811SS**SBendtrans-121.7135.9157.500000107.9
323Q44.8Very low37.3Very low197 Ų197156.7 Ų156.792%0.92182%0.818SS**SBendtrans77.752.4-179.7-157.5178.2-30.700116.5
324Q39.6Very low37.4Very low173 Ų173155.4 Ų155.481%0.80882%0.819SS**  trans-157.769.1164.4-124.6166.160.200113.6
325Q38.3Very low37.8Very low192 Ų192155.6 Ų155.690%0.89782%0.815SS**SBendtrans-145.86.7171.4-96.6-90.8-94.100114.2
326D43.9Very low37.7Very low156 Ų156153.7 Ų153.783%0.83481%0.814SS**SBendtrans-93.4160.8161.5-65.3-60.5000109.5
327E43.9Very low37.9Very low197 Ų197158.4 Ų158.492%0.92182%0.818SS**SBendtrans75.816.3173.4-55.3-161.7147.100120.8
328E43.6Very low38Very low170 Ų170154.3 Ų154.379%0.79481%0.806SS**SBendtrans-135.779.5158.7-164164.7-141.500114.6
329F38.7Very low37.8Very low193 Ų193159.1 Ų159.185%0.84681%0.81SS**SBend-166.616.5128.5-103.1-60.4000115.1K331F329-K331 PolarHBondContact O-N 2.81Å
330E37.5Very low37.1Very low180 Ų180161.3 Ų161.384%0.84181%0.808SS**  trans-65.399.2158.6-80.8-153.4150.300110.5
331K36.4Very low36.9Very low187 Ų187159.3 Ų159.381%0.81381%0.81SS**  trans-176.3110.4147.5-89.9127.6-148.9142.70110F329F329-K331 PolarHBondContact O-N 2.81Å
332K39.8Very low36.4Very low208 Ų208157.7 Ų157.790%0.90480%0.802SS**  trans162.691.4132.9-76.9-122-176.3174.60111.3
333T44.3Very low35.7Very low129 Ų129157.4 Ų157.479%0.79180%0.799SS**  trans-83.8167152.9510000110
334P40.3Very low34.9Very low128 Ų128152.9 Ų152.983%0.83179%0.789SS**  trans-128.2155.7130.136.5-30.3000112.8
335V32.8Very low34.5Very low113 Ų113155.1 Ų155.169%0.68579%0.791SS**  trans-91154.3179.1170.60000110.9E337V335-E337 HydrophobicContact CG1-CG 3.79Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.39Å
336G28.7Very low34Very low80 Ų80152.4 Ų152.483%0.82578%0.782SS**  trans-154.984.8168.900000111.1
337E30.3Very low33.5Very low166 Ų166151.8 Ų151.878%0.77678%0.784SS**  trans-71.9175.8170.7-57.7143.611700109.5V335V335-E337 HydrophobicContact CG1-CG 3.79Å; V335-E337 WeakPolarHBondContact CG1-OE2 3.39Å
338D28.8Very low32.7Very low120 Ų120145.9 Ų145.964%0.64278%0.776SS**  cis-170.6171.728.6-172.518.1000111.3
339R27.5Very low31.9Very low193 Ų193145.9 Ų145.973%0.72878%0.775SS**  trans79.7140.5158.4-49.8-171.8-56.6-178.48.3118.5
340F28.3Very low31.4Very low161 Ų161143.2 Ų143.271%0.70677%0.769SS**  cis-165151.5-11-104.2-28.3000109.7
341C28.6Very low31.1Very low109 Ų109142.6 Ų142.674%0.73677%0.766SS**  trans53.2169.5149.5-68.40000120.3
342E26.4Very low30.9Very low169 Ų169142.9 Ų142.979%0.7977%0.77SS**  cis-173.2136.8-37.7178.9169.2167.600107.8
343A26.6Very low30.5Very low84 Ų84136.5 Ų136.569%0.69476%0.764SS**  trans61146.7162.200000122.6
344S29.1Very low29.7Very low102 Ų102134.9 Ų134.971%0.71376%0.764SS**  trans70.2118.4142.3-66.70000123.6
345R31.6Very low29.4Very low221 Ų221135 Ų13583%0.83477%0.767SS**  70.8131.8126.9-66.3-176.5179.9176.7-1.4122.2
346D27.8Very low29.3Very low134 Ų134133.8 Ų133.872%0.71778%0.778SS**  trans49.2119.4134.2-59.4-49.9000122.6
347V31.6Very low29.4Very low144 Ų144133.3 Ų133.387%0.87377%0.773SS**  trans56.7113.1131.1-175.20000119.1
348G28.5Very low29.5Very low73 Ų73133.3 Ų133.375%0.75378%0.778SS**  trans-175.749174.300000121.5
349H26.5Very low29.6Very low169 Ų169134.7 Ų134.778%0.78278%0.784SS**  trans33.4123.1136.5-165.5-116.2000122.8
350L28.8Very low29.9Very low138 Ų138130.7 Ų130.772%0.72379%0.786SS**  trans107.9152.6137.7-145.563.8000122.4
351E31.4Very low30.3Very low166 Ų166129.2 Ų129.278%0.77679%0.792SS**  trans64.383.6168-60.6-137.9133.100121.2
352E31.9Very low30.3Very low193 Ų193128.8 Ų128.890%0.90279%0.791SS**  30.7120.5108-167.5164.8-172.800119.8
353G30.7Very low30.5Very low75 Ų75126.9 Ų126.977%0.77379%0.791SS**  trans178.478.6173.600000117.6
354A27.7Very low31.6Very low94 Ų94128.5 Ų128.578%0.77779%0.794SS**  trans58.1101.3157.300000121.5
355S34Very low31.5Very low130 Ų130132.3 Ų132.391%0.90980%0.8SS**  62.3110.1121.4-52.80000122.5
356G30.6Very low31.4Very low88 Ų88125.9 Ų125.991%0.90779%0.79SS**  trans141.787.1139.800000118.2
357G31.7Very low31.5Very low71 Ų71129.1 Ų129.173%0.73279%0.792SS**  trans170.1142167.900000115
358L32.2Very low31.2Very low166 Ų166128.1 Ų128.187%0.86978%0.782SS**  trans-144.6149.8176.4-59.3172.7000106.9
359L31.4Very low31.2Very low149 Ų149128.1 Ų128.178%0.7878%0.781SS**  cis-150.9163.928.1-72.3164.5000113.1
360S33.5Very low31.2Very low109 Ų109124.7 Ų124.776%0.76278%0.782SS**  trans72156.5153-61.10000119.9
361P36.6Very low31Very low129 Ų129122.8 Ų122.884%0.83879%0.786SS**  cis-118.9-141.43.142.2-27000114.7
362S27.2Very low30.7Very low100 Ų100126.1 Ų126.170%0.69979%0.792SS**  trans-106.8140.9-143.9-43.90000119.6
363T31.3Very low31.1Very low129 Ų129121.6 Ų121.679%0.79178%0.779SS**  trans62.1159.6142.352.20000121.7
364P49.1Very low31.1Very low118 Ų118128 Ų12877%0.76679%0.785SS**  cis-136.5144.5-28.634.9-17.1000115.2
365H27.9Very low31.1Very low182 Ų182129.9 Ų129.984%0.84378%0.782SS**  trans-153.8161.3153.5-158.659.5000112.1
366S29.8Very low30.8Very low87 Ų87132.6 Ų132.661%0.60878%0.781SS**  trans-113.6147.6175.353.40000110.7
367R28.6Very low30.6Very low201 Ų201132.1 Ų132.176%0.75878%0.776SS**  174.3156.3128.9-96.5-175.185.81631112.9
368D26.7Very low30.4Very low124 Ų124133.1 Ų133.166%0.66377%0.772SS**  trans35.8140.1147.2-50.710000120.9
369G27.1Very low30.2Very low72 Ų72135.5 Ų135.574%0.74277%0.769SS**  cis141.8155.9-7.400000114.7
370A26.4Very low30Very low98 Ų98135.9 Ų135.981%0.8177%0.767SS**  trans-164.7113.7159.800000107.6
371A26.2Very low29.8Very low97 Ų97138 Ų13880%0.80277%0.77SS**  cis65.150.5200000116.3
372R25.1Very low29.4Very low237 Ų237135.4 Ų135.489%0.89477%0.767SS**  trans-151.5153.6138.9-98.6-124.2142.1168.5-7.8111.9
373P39.4Very low29.4Very low98 Ų98138.3 Ų138.364%0.63677%0.774SS**  trans-130.9-169.9-137.143.3-28.9000113.3
374K31.5Very low29.2Very low208 Ų208136.5 Ų136.590%0.90477%0.766SS**  -135.7129.6128-132175.6-177.9-175.60111.8
375D27.3Very low28.3Very low134 Ų134136.1 Ų136.172%0.71777%0.767SS**  trans-87.3166.4168.9-147.6-24.8000108.9
376E27.7Very low28.4Very low188 Ų188137.3 Ų137.388%0.87977%0.773SS**  trans56.9124.7169.9-53176.6125.200116.8
377G27Very low28.4Very low78 Ų78141.7 Ų141.780%0.80478%0.784SS**  cis-169.7-151.9-1.700000106.6
378S26Very low28.5Very low91 Ų91138.9 Ų138.964%0.63678%0.782SS**  cis-168.2173.6-5-177.10000106.5
379W28.1Very low28.8Very low217 Ų217138.5 Ų138.582%0.82278%0.784SS**  trans74115.5177.4-46.498.5000113.3
380Q28.1Very low29Very low156 Ų156145.7 Ų145.773%0.72979%0.789SS**  87.5151.755.9-70.9-90.216.600111.9
381D29.7Very low29.3Very low155 Ų155148.2 Ų148.283%0.82979%0.788SS**  trans64.5144.7-164.2-50.3-34.6000112.4
382G27Very low29.5Very low74 Ų74152.2 Ų152.276%0.76379%0.79SS**  cis106.712024.600000107.5
383D28.1Very low29.7Very low161 Ų161144.8 Ų144.886%0.86179%0.787SS**  cis-142.9175.321.5-146.9-32000112.3
384S27.5Very low29.2Very low90 Ų90151.4 Ų151.463%0.62980%0.799SS**  trans-88162.9179.172.20000113.6
385S30.2Very low29.1Very low110 Ų110148.5 Ų148.577%0.76979%0.791SS**  trans60.390.3152.6-45.20000118.1
386Q28.9Very low29.4Very low208 Ų208150.1 Ų150.197%0.97279%0.794SS**  trans-92.5103.9153.5-81.2-166.1-2.400111.3
387E30.1Very low29.4Very low179 Ų179144.8 Ų144.884%0.83678%0.782SS**  trans-89.3177.2154.4-164180176.600109.4
388I31Very low29.4Very low142 Ų142149.6 Ų149.673%0.72878%0.784SS**  trans92.369.9162.9-44.5-176.7000117.6
389T32.9Very low29.4Very low115 Ų115149.7 Ų149.771%0.70678%0.784SS**  75.1138.8123.5-15.30000123.7
390R30.4Very low29.4Very low224 Ų224147.4 Ų147.485%0.84578%0.783SS**  trans89.2127.1160.1-57.4-173.7-1761654114.9
391L33.2Very low29.2Very low151 Ų151145.3 Ų145.379%0.79179%0.785SS**  cis-148.9148.217.3-109.1144.3000114.2
392Q30.3Very low30.1Very low181 Ų181143.4 Ų143.485%0.84678%0.782SS**  trans70.795.6140.4-160164.622.200123.3
393G28.3Very low30Very low80 Ų80146.6 Ų146.683%0.82579%0.786SS**  trans92.4147.8141.100000117.8
394R28.9Very low29.9Very low238 Ų238145.8 Ų145.890%0.89878%0.782SS**  cis-148.3134.4-2.2-179.4-175.1-176.5-162.72.8109
395M30.7Very low30Very low147 Ų147147.3 Ų147.372%0.72479%0.787SS**  trans-100.5164178.4-60.5-76.195.600109.7
396Q33.1Very low29.9Very low168 Ų168148 Ų14879%0.78578%0.782SS**  cis-159.4-173.7-9.4-124.51729.100109.7
397A28.1Very low29.9Very low76 Ų76145 Ų14563%0.62877%0.772SS**  trans-17.616115100000118.3
398E26.5Very low29.9Very low179 Ų179143.6 Ų143.684%0.83677%0.765SS**  cis-168-171.412.2-141.9173.9133.100112.1
399S26.8Very low29.8Very low92 Ų92142 Ų14264%0.64376%0.759SS**  trans100.6121.4139.776.60000122.2
400Q28Very low29.9Very low169 Ų169143.6 Ų143.679%0.7976%0.756SS**  trans73.299130.9-69.1176.766.200122.1
401S24.3Very low30.1Very low113 Ų113139.5 Ų139.579%0.7975%0.746SS**  73.5158.2110.4-630000120.2
402P47.5Very low29.8Very low115 Ų115142.9 Ų142.975%0.74775%0.748SS**  trans-126.1162.6-140.641.8-29.8000116.8
403T24.6Very low29.8Very low140 Ų140138.7 Ų138.786%0.85973%0.729SS**  trans-166.6165.9133.332.20000111.3
404N26.2Very low30Very low145 Ų145144.1 Ų144.178%0.77573%0.733SS**  trans-41.5157158-58.1-50.3000112.1
405V28.7Very low30.2Very low121 Ų121142.1 Ų142.173%0.73373%0.725SS**  -152.1171.155.9-129.10000114.5
406D28.1Very low30.1Very low126 Ų126138.1 Ų138.167%0.67472%0.722SS**  trans75138.4154.8-63.9-19.7000118.8
407L30.3Very low29.8Very low144 Ų144142.6 Ų142.675%0.75473%0.731SS**  69.4127.454.8-94.181.6000111
408E28.8Very low29.9Very low149 Ų149143.8 Ų143.870%0.69674%0.741SS**  cis-143.5-162.7-1.7-67.1-175.2101.800109
409D29.6Very low30.1Very low110 Ų110138.7 Ų138.759%0.58874%0.737SS**  trans72160.8137-81.8-19.3000118.1
410K34.9Very low30.6Very low147 Ų147141.2 Ų141.264%0.63974%0.739SS**  cis-159.7173.4-7.8-122.9162.3-171.1140.50107.5
411E34.3Very low30.7Very low138 Ų138139.7 Ų139.765%0.64573%0.73SS**  cis-160.5154.4-4.3-157.8150.4-137.100106.6
412R28.4Very low31.4Very low223 Ų223137.2 Ų137.284%0.84271%0.712SS**  trans-155.792.9137.2-139.2168.4-82.2-89.45.6114.2
413E30.3Very low31Very low92 Ų92138.3 Ų138.343%0.4371%0.711SS.*  trans40.3117.5136.7-56.7-172.992.400119.6R415E413-R415 IonicContact OE1-CZ 2.69Å; E413-R415 VanDerWaalsContact OE1-CZ 3.24Å; E413-R415 IonicContact OE1-NH1 3.58Å; E413-R415 PolarHBondContact OE1-NH1 2.97Å; E413-R415 IonicContact OE1-NH2 2.69Å; E413-R415 PolarHBondContact OE1-NH2 3Å
414Q31.6Very low31.4Very low194 Ų194133.3 Ų133.391%0.90769%0.687SS**  -155.6152.397.7-104.8146.9107.100113.7
415R32.6Very low31.7Very low197 Ų197131.6 Ų131.674%0.74368%0.682SS**  trans-84.3153.5-179-65160.6-85.9-85.5-2.9109.4E413E413-R415 IonicContact OE1-CZ 2.69Å; E413-R415 VanDerWaalsContact OE1-CZ 3.24Å; E413-R415 IonicContact OE1-NH1 3.58Å; E413-R415 PolarHBondContact OE1-NH1 2.97Å; E413-R415 IonicContact OE1-NH2 2.69Å; E413-R415 PolarHBondContact OE1-NH2 3Å
416G28.5Very low31.9Very low63 Ų63129.6 Ų129.665%0.64968%0.678SS**  cis156.7-168.10.500000111.3
417W28Very low32.1Very low261 Ų261128.1 Ų128.199%0.98968%0.683SS**  trans79.6161.8175.1-57.895.2000117.8
418A30.2Very low32.3Very low101 Ų101129.5 Ų129.584%0.83569%0.686SS**  trans-157170.9-152.900000114.1
419G30.9Very low32.6Very low73 Ų73126.6 Ų126.675%0.75368%0.682SS**  trans86.7164.916700000116
420E36.2Very low32.5Very low145 Ų145130 Ų13068%0.67869%0.694SS**  cis-168.9-164.7-19.2-144.5175.6-110.500109.5
421F31.7Very low32.4Very low137 Ų137127.2 Ų127.260%0.60170%0.699SS**  trans76.1162.7166.5-43.7-56.6000116.1G851 T852F421-G851 CarbonylContact O-C 3.59Å; F421-G851 WeakPolarHBondContact O-CA 3.49Å; F421-T852 WeakPolarHBondContact CB-OG1 3.48Å; F421-T852 PolarHBondContact O-N 3.19Å
422S38.3Very low32.2Very low60 Ų60122.7 Ų122.742%0.4269%0.685SS.*  cis163.7131.5-29.2-84.90000113.4D850S422-D850 CarbonylContact C-O 2.91Å; S422-D850 WeakPolarHBondContact CA-O 3.32Å; S422-D850 PolarHBondContact N-O 3.29Å; S422-D850 CarbonylContact O-C 3.53Å; S422-D850 WeakPolarHBondContact O-CB 3.46Å
423L38.4Very low32.2Very low139 Ų139121.3 Ų121.373%0.72869%0.685SS**  trans104.176.3141-67.5157.8000126.8D850L423-D850 PolarHBondContact N-O 2.74Å; L423-D850 VanDerWaalsContact N-O 3.08Å; L423-D850 WeakPolarHBondContact O-CB 3.49Å
424G33Very low32.1Very low34 Ų34120.3 Ų120.335%0.35169%0.689SS.*  76.6-165.6127.800000121.1
425V32.3Very low33.3Very low109 Ų109117.2 Ų117.266%0.66169%0.685SS**  cis-151.595.79.3-174.90000115.4E848V425-E848 PolarHBondContact N-OE1 3.08Å; V425-E848 PolarHBondContact N-OE2 2.99Å
426A33.6Very low33Very low79 Ų79111.7 Ų111.765%0.65369%0.69SS**  63.4172.4124.500000123.6E848A426-E848 PolarHBondContact N-OE2 3.29Å
427A32.8Very low33Very low96 Ų96117.9 Ų117.979%0.79369%0.694SS**  trans106.1145.9153.900000119.3
428Q34.3Very low33.2Very low173 Ų173113.7 Ų113.781%0.80869%0.685SS**  cis-179.8158.6-37-109.5-76.7-1.300109.4
429S34.7Very low33.4Very low88 Ų88114.2 Ų114.262%0.61567%0.674SS**  trans53.7167.1159.787.60000120.1
430E28.3Very low33.4Very low180 Ų180121.3 Ų121.384%0.84168%0.678SS**  cis-152.6-178.8-0.2-144.2160.6134.400112.2
431A31.5Very low33.2Very low89 Ų89119 Ų11974%0.73668%0.677SS**  trans-109.4170.4-171.400000114.9
432A30.1Very low33.2Very low43 Ų43122.3 Ų122.336%0.35569%0.686SS.*  trans-174.4141.3149.800000116.2P879A432-P879 WeakPolarHBondContact O-CG 3.36Å
433F28.5Very low33Very low194 Ų194124.6 Ų124.685%0.85169%0.694SS**  trans7.3135.8159.6-56.6-73.7000125.6P879F433-P879 VanDerWaalsContact C-CD 3.41Å; F433-P879 VanDerWaalsContact C-CG 3.49Å
434S29.4Very low32.6Very low71 Ų71123 Ų12350%0.49769%0.689SS.*  trans-88.4-164163.4-4.60000111.5P879S434-P879 VanDerWaalsContact N-CD 3.29Å; S434-P879 WeakPolarHBondContact OG-CD 2.96Å; S434-P879 WeakPolarHBondContact OG-CG 3.34Å
435P56.3Low32.6Very low129 Ų129126.8 Ų126.884%0.83871%0.709SS**  cis-126.8-175.5-32.437.1-20.7000112.4
436G26.7Very low32.6Very low81 Ų81126.7 Ų126.784%0.83571%0.709SS**  trans-169.7137.9171.200000118.2
437R27.9Very low32.4Very low194 Ų194130.9 Ų130.973%0.73272%0.715SS**  trans-84.1156.6170.4-55.9166.4101.1-82.1-1.1111D439R437-D439 IonicContact CZ-OD2 3.16Å; R437-D439 IonicContact NH1-OD2 3.42Å; R437-D439 PolarHBondContact NH1-OD2 3.3Å; R437-D439 IonicContact NH2-OD2 2.71Å
438Q32.7Very low32.4Very low173 Ų173130.5 Ų130.581%0.80871%0.711SS**  -171.5146.8112.7-108.8178.7-1200114.9
439D33.8Very low32.4Very low111 Ų111127.1 Ų127.159%0.59471%0.707SS**  trans-104.5139.7-177.3-31.7-98000111.7R437R437-D439 IonicContact CZ-OD2 3.16Å; R437-D439 IonicContact NH1-OD2 3.42Å; R437-D439 PolarHBondContact NH1-OD2 3.3Å; R437-D439 IonicContact NH2-OD2 2.71Å
440W31.7Very low32.4Very low223 Ų223131.1 Ų131.185%0.84572%0.716SS**  trans-143.5117.1156.4-70.187.9000106.6
441S31Very low32.9Very low95 Ų95127.3 Ų127.366%0.66471%0.709SS**  65.4136.281.2-70.10000112.6
442R32.5Very low32.9Very low207 Ų207127.6 Ų127.678%0.78171%0.706SS**  cis-169.5177.314.8-128.7-176.9153.4170.9-11.9109.5
443D33.4Very low33.2Very low109 Ų109134.7 Ų134.758%0.58373%0.725SS**  cis-160.6-173.14.5-142.24.4000105.5
444V31Very low33.5Very low105 Ų105132.6 Ų132.664%0.63672%0.717SS**  cis-164.4147.1-0.166.40000109.1
445C31.7Very low33.6Very low114 Ų114139.2 Ų139.277%0.7774%0.738SS**  trans60.9157.5158.4-75.40000120.1
446V32.3Very low32.8Very low107 Ų107136.1 Ų136.165%0.64873%0.729SS**  cis-173.2149.4-1.3128.30000105.8
447E31Very low33Very low167 Ų167139.9 Ų139.978%0.7873%0.729SS**  cis-156.4141.4-9.4-106.1162.9-174.900107.2
448A31.1Very low33.4Very low87 Ų87138.7 Ų138.772%0.71974%0.735SS**  82.4145.691.100000117.2
449S34.4Very low33.4Very low102 Ų102133.9 Ų133.971%0.71373%0.732SS**  trans65.8141.8172.4-66.70000118.8
450E34.5Very low33.3Very low173 Ų173136.4 Ų136.481%0.80875%0.745SS**  cis-162.2-177-22.3-129.6158.5136.700113.1
451S38.7Very low33.2Very low100 Ų100131 Ų13170%0.69973%0.733SS**  trans-61-179.4-178.871.60000116
452S32.1Very low33.4Very low95 Ų95137.7 Ų137.766%0.66474%0.744SS**  cis-163.2152.221.650.70000115.2
453Y35.9Very low33.4Very low191 Ų191133.4 Ų133.475%0.74974%0.74SS**  trans28.8110.4142.2-71-88.5000122.5
454Q35.3Very low33.4Very low150 Ų150132.1 Ų132.170%0.70174%0.739SS**  45.1116.5107.5-175.7-177.61100119.9
455F32.5Very low33.3Very low210 Ų210129.3 Ų129.392%0.92173%0.732SS**  -156.6173122.7-101.5-69.6000109.3
456G37.6Very low33.3Very low64 Ų64128.8 Ų128.866%0.6674%0.736SS**  trans-136.1-156.5-174.100000114
457I32.1Very low33.1Very low161 Ų161127.1 Ų127.183%0.82674%0.74SS**  trans93.4104.1-176.1-56.5177.3000114.7
458I36.7Very low33.1Very low169 Ų169126.9 Ų126.987%0.86774%0.743SS**  trans44.8117.9140.7-49.6172.3000118.8
459G31Very low33.3Very low71 Ų71128.8 Ų128.873%0.73275%0.751SS**  trans-169.9133.116100000111.6
460N32Very low33.4Very low164 Ų164129.4 Ų129.488%0.87775%0.753SS**  trans-86.8-176.1178.6-75.3-6.3000112.1
461D31.4Very low33.2Very low110 Ų110126.6 Ų126.659%0.58875%0.753SS**  trans84.1169.5166.9-139.2-33.9000115.9K486D461-K486 WeakPolarHBondContact OD2-CE 3.13Å; D461-K486 IonicContact OD2-NZ 3.62Å; D461-K486 PolarHBondContact OD2-NZ 3.06Å
462R34.3Very low32.9Very low236 Ų236132.4 Ų132.489%0.89176%0.759SS**  trans88.3126-170.7-64.1-172.5174.2-167.2-3115.1
463V33.1Very low33Very low116 Ų116136.6 Ų136.670%0.70377%0.766SS**  cis-149154.1-6-158.40000109.2
464S33.7Very low33.1Very low82 Ų82133.1 Ų133.157%0.57377%0.769SS**  -162.4118.9128.5-87.40000111.3
465G27.6Very low32.8Very low47 Ų47129.8 Ų129.849%0.48578%0.775SS.*  trans141.9108.9-17600000112.2
466A32.8Very low32.5Very low103 Ų103124.1 Ų124.185%0.85178%0.776SS**  cis178.9150.1-28.600000105.5
467G27.8Very low32Very low71 Ų71124.8 Ų124.873%0.73278%0.782SS**  trans82.9155.9-179.700000114.5
468L30.1Very low31.7Very low162 Ų162125.4 Ų125.485%0.84878%0.781SS**  cis-137.3158.4-6-72172.5000110
469S36.6Very low31.3Very low127 Ų127125.9 Ų125.989%0.88878%0.778SS**  trans-135109.2164.3-78.50000111
470P36Very low31.3Very low116 Ų116128.7 Ų128.775%0.75378%0.78SS**  trans-134.2139.1154.935.9-21.9000114.1
471S29.4Very low31.7Very low114 Ų114126.1 Ų126.180%0.79777%0.773SS**  trans53.5118.6149.7-166.70000121.7
472R32.8Very low32.1Very low221 Ų221127.3 Ų127.383%0.83479%0.786SS**  1.2144.9129.6-71.8179.2161.6-154.6-6.5119.3
473K33.6Very low31.9Very low184 Ų184119.7 Ų119.780%0.878%0.781SS**  trans84.1100.4151-78.2-176.4172.9-171.90119.4
474S37.9Very low32Very low117 Ų117123.2 Ų123.282%0.81879%0.79SS**  47.5104.512862.90000119.8
475G29.1Very low32Very low81 Ų81125 Ų12584%0.83580%0.798SS**  trans159.6126.8163.900000110.3
476G26.8Very low32.3Very low90 Ų90130.4 Ų130.493%0.92881%0.808SS**  trans-86.2156.7-177.900000113.4
477G26.7Very low32.6Very low78 Ų78128.9 Ų128.980%0.80480%0.795SS**  trans160.192.3171.700000116.2
478H26.4Very low33Very low174 Ų174129.3 Ų129.381%0.80680%0.799SS**  trans41.8107.2140.8-154.5-78.7000122.1
479F27.4Very low33.1Very low180 Ų180126.7 Ų126.779%0.78980%0.801SS**  trans13132.7148.6-66.9-88.4000122.7
480V32.2Very low33.5Very low129 Ų129127 Ų12778%0.78280%0.798SS**  171.5139.899.5161.50000110.9
481P40.1Very low34Very low111 Ų111127.5 Ų127.572%0.72179%0.794SS**  trans-111.7157.217440.3-32.2000115.1
482P40.6Very low34.6Very low134 Ų134131 Ų13187%0.8779%0.79SS**  -144.9-180115.738.1-22.4000112.8
483G30Very low35.4Very low76 Ų76125.6 Ų125.678%0.78478%0.781SS**  cis-166.6-178.52.500000112
484E33.8Very low35.9Very low190 Ų190122.1 Ų122.189%0.88877%0.772SS**  trans-103.1153.9-161.6-54.9-178.5139.500116.1
485T33.7Very low36.5Very low120 Ų120123.3 Ų123.374%0.73676%0.764SS**  trans-144.7156156.342.40000110.8
486K34.9Very low37.5Very low160 Ų160126.8 Ų126.870%0.69676%0.763SS**  trans-106159.8-172.1-77.4-178.5167.5-179.30114D461D461-K486 WeakPolarHBondContact OD2-CE 3.13Å; D461-K486 IonicContact OD2-NZ 3.62Å; D461-K486 PolarHBondContact OD2-NZ 3.06Å
487A38Very low38.7Very low72 Ų72125.4 Ų125.460%0.59575%0.748SS**PPolyproline II helixtrans-102.3158.3177.100000113.7
488G36.5Very low39.8Very low79 Ų79129.6 Ų129.681%0.81475%0.752SS**PPolyproline II helixtrans-96.4173.5178.900000114.8
489A33Very low40.7Very low108 Ų108129 Ų12989%0.89374%0.742SS**PPolyproline II helixtrans-87.9164-172.400000114.7
490V44.9Very low41.6Very low134 Ų134128.4 Ų128.481%0.81275%0.747SS**  trans-120.4137.9176.9173.40000109.3
491D46.5Very low41.9Very low125 Ų125130.4 Ų130.467%0.66875%0.753SS**  trans-97.4154.6-177.3-172.228.8000112.8T493D491-T493 PolarHBondContact OD2-OG1 2.8Å
492W42.3Very low41.8Very low189 Ų189134.5 Ų134.572%0.71676%0.762SS**  trans-98.93-166.4-8277.9000115.2D494 Q495W492-D494 PolarHBondContact O-N 2.79Å; W492-Q495 VanDerWaalsContact CZ3-NE2 3.3Å
493T48.2Very low41.4Very low107 Ų107135 Ų13566%0.65676%0.763SS**THydrogen-bonded Turntrans-69.3-7-163.9-50.50000115.1D491D491-T493 PolarHBondContact OD2-OG1 2.8Å
494D46Very low41.4Very low111 Ų111136.8 Ų136.859%0.59476%0.763SS**THydrogen-bonded Turntrans-85.8-18.8-176.2-93.4-42.7000116.4W492 L496 R499W492-D494 PolarHBondContact O-N 2.79Å; D494-L496 PolarHBondContact O-N 2.92Å; D494-R499 IonicContact OD1-CZ 3.7Å; D494-R499 IonicContact OD1-NH1 3.74Å; D494-R499 PolarHBondContact OD1-NH1 3.13Å; D494-R499 IonicContact OD1-NH2 2.79Å; D494-R499 PolarHBondContact OD1-NH2 2.8Å
495Q48.5Very low41.1Very low142 Ų142133.1 Ų133.166%0.66476%0.758SS**THydrogen-bonded Turntrans-82-4.8-165.8-64.7-171.321.700116.1W492W492-Q495 VanDerWaalsContact CZ3-NE2 3.3Å
496L52Low41Very low153 Ų153133.1 Ų133.180%0.80176%0.762SS**THydrogen-bonded Turntrans-114.95.9-169.9-64.5179.4000116.1D494 L498D494-L496 PolarHBondContact O-N 2.92Å; L496-L498 PolarHBondContact O-N 3.07Å
497G51.8Low40.9Very low61 Ų61131.7 Ų131.763%0.62977%0.767SS**  trans67.90.9161.200000118.7R499G497-R499 PolarHBondContact O-N 2.82Å; G497-R499 VanDerWaalsContact O-N 3.13Å
498L49.2Very low40.6Very low167 Ų167134.4 Ų134.487%0.87478%0.781SS**  trans-87.857.6-175.4-65.6178.9000114.3L496L496-L498 PolarHBondContact O-N 3.07Å
499R45.9Very low40.3Very low160 Ų160134.7 Ų134.760%0.60477%0.771SS**  trans-95102.5164.213.1-84-161.7157.26.1110.5D494 G497D494-R499 IonicContact OD1-CZ 3.7Å; D494-R499 IonicContact OD1-NH1 3.74Å; D494-R499 PolarHBondContact OD1-NH1 3.13Å; D494-R499 IonicContact OD1-NH2 2.79Å; D494-R499 PolarHBondContact OD1-NH2 2.8Å; G497-R499 PolarHBondContact O-N 2.82Å; G497-R499 VanDerWaalsContact O-N 3.13Å
500N46.5Very low40.2Very low168 Ų168138.4 Ų138.490%0.89877%0.77SS**SBendtrans-177.533.9157.8-99.6-36.6000113.3
501L38.8Very low39.5Very low171 Ų171135 Ų13590%0.89576%0.762SS**  trans-156.977.7178-117.1155.9000111.4
502E36.7Very low39.4Very low197 Ų197135.1 Ų135.192%0.92177%0.769SS**  trans-104116.7172.2-70.1-176.3165.300110.8
503V32.1Very low38.9Very low145 Ų145131.7 Ų131.788%0.87977%0.774SS**  trans-141131.9151.7-179.60000107.7
504S30.5Very low38.2Very low114 Ų114134.2 Ų134.280%0.79778%0.778SS**  trans-76.1146-163.3-40.20000115.8
505S28.3Very low37.4Very low112 Ų112132.1 Ų132.178%0.78378%0.776SS**  trans-177.6152134.247.80000110.9
506C30.1Very low36.7Very low120 Ų120134.3 Ų134.381%0.81178%0.779SS**  cis-154.4153.4-24.7-108.20000109.6
507V32.3Very low35.6Very low131 Ų131134.9 Ų134.979%0.79478%0.777SS**  trans-23.5133174.5-179.80000117.2
508S32.7Very low34.5Very low128 Ų128138.3 Ų138.390%0.89578%0.781SS**  trans-157.8119.7137.3-75.80000109.3
509S31.2Very low33.6Very low86 Ų86136.4 Ų136.460%0.60178%0.776SS**  trans-130.4147.6179.2-168.40000109.9
510E30.1Very low33Very low186 Ų186135.6 Ų135.687%0.86979%0.789SS**  trans58.4158.1172.1-68138.7104.400116.7
511G31Very low32.3Very low63 Ų63130.6 Ų130.665%0.64978%0.777SS**  cis-154.3174.2-200000111.5
512P44Very low31.9Very low126 Ų126130.8 Ų130.882%0.81877%0.773SS**  trans-107.1-170.1-157.441.5-37.3000115.8
513S30.8Very low32.2Very low117 Ų117128.9 Ų128.982%0.81877%0.766SS**  trans82.2158.2176.377.90000117.1
514E33.8Very low32Very low160 Ų160125.4 Ų125.475%0.74876%0.76SS**  cis-165.6159.7-46.5-174.6175.2126.600106.2R516E514-R516 IonicContact OE1-NH2 3.24Å; E514-R516 PolarHBondContact OE1-NH2 3.47Å
515A30Very low32.2Very low67 Ų67130.5 Ų130.555%0.55476%0.762SS**  trans-22.9137.2171.100000115.9
516R32.4Very low32.6Very low189 Ų189129.7 Ų129.771%0.71376%0.756SS**  -153.4134.967.1-85.6129.3-95.5-99.3-11.4109.7E514E514-R516 IonicContact OE1-NH2 3.24Å; E514-R516 PolarHBondContact OE1-NH2 3.47Å
517E30.6Very low32.6Very low164 Ų164130.9 Ų130.977%0.76675%0.754SS**  79.4132.187.8-153.4-156.4134.900115.2
518N27.4Very low32.5Very low134 Ų134129.9 Ų129.972%0.71775%0.753SS**  trans90.6154.4155.887.549.5000122.6
519V30.1Very low32.4Very low127 Ų127132.3 Ų132.377%0.7776%0.755SS**  trans60.6115.5168.5-173.40000120.4
520V33.6Very low32.2Very low143 Ų143131.5 Ų131.587%0.86776%0.76SS**  trans-72.3126.4159.4168.90000110.2
521G32.4Very low32.3Very low63 Ų63130.3 Ų130.365%0.64976%0.759SS**  trans8.4157.915900000123.6
522Q29Very low32.3Very low175 Ų175134 Ų13482%0.81876%0.764SS**  trans-156.7156.4130.9-105-56.5-5.600110.9
523M43.2Very low31.6Very low156 Ų156135.3 Ų135.377%0.76876%0.764SS**  trans-98.2133.8174.7-16174.4164.200109
524G29.7Very low31.6Very low73 Ų73132.3 Ų132.375%0.75375%0.752SS**  trans-152.113518000000111.1
525W33.8Very low31.4Very low221 Ų221132 Ų13284%0.83776%0.755SS**  trans-110.4154.2-168.9-76.736.5000113
526S36.5Very low31.5Very low94 Ų94135.9 Ų135.966%0.65777%0.766SS**  trans78.3138.1149.3-70.50000122
527D30.1Very low31.4Very low146 Ų146130.5 Ų130.578%0.78176%0.762SS**  trans61.9115.1143.3-55.7-19.4000122
528S29.7Very low31.2Very low110 Ų110133.3 Ų133.377%0.76977%0.765SS**  -157.8130.1115.12.40000113.5
529L31.5Very low31.2Very low179 Ų179136.7 Ų136.794%0.93777%0.768SS**  trans36.3126.5137.6-45.7176000119.1
530G26.5Very low31.5Very low69 Ų69137.7 Ų137.771%0.71177%0.768SS**  cis115.8103.95.300000113
531L31.5Very low31.3Very low160 Ų160134 Ų13484%0.83876%0.759SS**  trans-146.5118.7169.4-82.1-177.4000112.9
532N31.7Very low31Very low140 Ų140137.8 Ų137.875%0.74977%0.77SS**  trans60.1150.2148.6-67.1-33.1000121.9
533N30.3Very low30.9Very low155 Ų155132.6 Ų132.683%0.82976%0.763SS**  cis-167.6160.2-35.9-151.3-10.5000109.4
534G30.8Very low30.1Very low54 Ų54134.6 Ų134.656%0.55777%0.771SS**  trans10399.3155.600000118.1
535D28.8Very low30Very low153 Ų153135.9 Ų135.982%0.81877%0.768SS**  trans66141.4138-63.3-15000121.2
536L32.5Very low29.7Very low148 Ų148133 Ų13378%0.77576%0.763SS**  cis-153.61741.2-122167.7000113.5
537A30.2Very low29.6Very low76 Ų76137.3 Ų137.363%0.62877%0.773SS**  trans-27.8130172.600000116.9
538R26.1Very low30.1Very low224 Ų224133.4 Ų133.485%0.84576%0.756SS**  67.7120.974-77.4-179.2161.9-165-1.4116.5
539R27.6Very low30Very low204 Ų204138.4 Ų138.477%0.7776%0.758SS**  trans68.7125.6140.2-69.4-178.9171.9-90.4-1.3121.2
540L36.8Very low29.6Very low149 Ų149134.2 Ų134.278%0.7874%0.743SS**  trans41.2106.6131-71.3154000119.9
541G27.7Very low29.7Very low65 Ų65139 Ų13967%0.6775%0.752SS**  -128.7146.1129.600000107.2
542T28.1Very low29.7Very low143 Ų143134.4 Ų134.488%0.87774%0.743SS**  cis49.811137.158.80000115.7
543G26.4Very low29.6Very low65 Ų65134.6 Ų134.667%0.6775%0.749SS**  trans129.3127.315300000114.7
544E25.8Very low29.7Very low199 Ų199130.1 Ų130.193%0.9374%0.74SS**  trans67.4160.2145.8-59.6172.4169.500117.9
545S28.3Very low29.5Very low99 Ų99136.3 Ų136.369%0.69275%0.754SS**  cis-170.9173.5-36-167.60000107.3
546E26.2Very low30Very low160 Ų160137 Ų13775%0.74875%0.75SS**  trans53.489.5160.5-74.6179.495.900119.1
547E34.9Very low30.1Very low185 Ų185135.1 Ų135.186%0.86474%0.741SS**  -42.4133.2120.7167.2179-166.400109.2
548P41.8Very low30.1Very low64 Ų64142.2 Ų142.242%0.41675%0.751SS.*  -161.9176.891.245.5-25.8000119.5
549R26.9Very low30.2Very low216 Ų216138.2 Ų138.282%0.81575%0.752SS**  trans80.2142.6158.2-66.8155.4-157.6140.49.1116.6
550S23.1Very low30.3Very low90 Ų90133 Ų13363%0.62975%0.747SS**  cis-178.5164-851.20000114.2
551L28Very low29.8Very low169 Ų169130.7 Ų130.789%0.88574%0.743SS**  trans77.9143148.2-74.5156000120.4
552G30.7Very low29.8Very low64 Ų64133.1 Ų133.166%0.6675%0.745SS**  trans117.6106.1-177.500000110.8
553V29.7Very low29.9Very low144 Ų144134.9 Ų134.987%0.87374%0.743SS**  cis64.912240.1-168.10000111.6
554G32.5Very low30.1Very low61 Ų61135.8 Ų135.863%0.62974%0.744SS**  cis-139.31782.100000112.3
555E27.9Very low30.2Very low185 Ų185138.1 Ų138.186%0.86474%0.744SS**  66131.880.6-162176.3-156.900113.9
556K37.8Very low30.2Very low166 Ų166140.1 Ų140.172%0.72275%0.747SS**  cis177.9141.7-31.6-109.5176.6174.4179.20105.9
557D35Very low30.6Very low109 Ų109141.9 Ų141.958%0.58375%0.747SS**  trans57162.1139-50.3-28.3000123.1
558W30.2Very low30.3Very low225 Ų225139.1 Ų139.185%0.85274%0.738SS**  trans75.7145.6168.3-44.7104.3000116
559T29.6Very low29.8Very low140 Ų140143.9 Ų143.986%0.85976%0.759SS**  cis-122.4163.722480000116.2
560S28.7Very low30.9Very low96 Ų96139.7 Ų139.767%0.67176%0.76SS**  trans-91.8161.8179.7-177.30000112.9
561S26.4Very low31Very low100 Ų100138.9 Ų138.970%0.69977%0.766SS**  140.7134117.468.40000117.7
562V28Very low31Very low116 Ų116139.7 Ų139.770%0.70377%0.765SS**  75.9108.6129.7167.40000121
563E29.5Very low30.8Very low179 Ų179140.2 Ų140.284%0.83676%0.763SS**  trans59.9156.1131.2-62.3-166.812400122.2
564A30.4Very low30.9Very low84 Ų84141.8 Ų141.869%0.69476%0.761SS**  cis-174.2160.8-26.400000108.6
565R28.6Very low30.8Very low248 Ų248145.4 Ų145.494%0.93677%0.771SS**  -173.7157.7118.2-173.8156.8-76.2-116.61110
566N28.2Very low30.8Very low141 Ų141140.3 Ų140.375%0.75477%0.768SS**  trans-130.5171.7-173.8-160.1-18.1000109.1
567R35Very low30.3Very low198 Ų198142.9 Ų142.975%0.74777%0.773SS**  trans83.9116.6158-61.6-170.785137.411.3121.8
568D27.6Very low30.1Very low126 Ų126145.7 Ų145.767%0.67478%0.782SS**  101.1150.4116.3-63.4-2.9000122.7
569L32.5Very low30.1Very low164 Ų164139.7 Ų139.786%0.85978%0.775SS**  trans-86.8-160.2-176.5-64.2166000109.8
570P49.4Very low30.2Very low128 Ų128141.8 Ų141.883%0.83178%0.775SS**  cis-145.9-174.73.644.9-24.8000118.1
571G25.6Very low30.4Very low73 Ų73141.3 Ų141.375%0.75378%0.777SS**  trans124.4151.6157.500000115.4
572Q27.5Very low30.8Very low187 Ų187147.2 Ų147.287%0.87478%0.784SS**  cis-162.7130.8-12.5174.8170-6.600111.6
573A26.8Very low31.1Very low75 Ų75149.5 Ų149.562%0.6279%0.787SS**  trans58.2136.9147.600000124.9
574E30.9Very low31.2Very low177 Ų177146.5 Ų146.583%0.82779%0.786SS**  trans86.1115132.1-77.2179.9127.800125.3
575V30.4Very low31.2Very low137 Ų137145.4 Ų145.483%0.8378%0.782SS**  77.1116.3127.2175.40000120.7
576G29.1Very low31.7Very low78 Ų78141.1 Ų141.180%0.80478%0.783SS**  trans-177111.715900000110.6
577R27.2Very low31.9Very low220 Ų220137.8 Ų137.883%0.8378%0.782SS**  trans-103.4170.5178-89.4-169.8171.9-157.7-0.6111.5
578H31Very low32Very low168 Ų168136.8 Ų136.878%0.77879%0.786SS**  trans83.4135.6165.4-49.3-85.6000116
579S30.3Very low33Very low99 Ų99135.7 Ų135.769%0.69279%0.786SS**  cis-171.9162.5-15.842.70000112.6
580Q30.1Very low33.3Very low183 Ų183134.1 Ų134.186%0.85578%0.779SS**  trans108.7132.2142-159.7162.5-12.800119.1
581A32.8Very low32.5Very low87 Ų87139.5 Ų139.572%0.71978%0.782SS**  trans57.7104.3176.400000116.7
582R35.8Very low32.9Very low224 Ų224141.4 Ų141.485%0.84578%0.784SS**  60.7106.376.5-67.9-178.8173.9-912.6112.3
583E33.9Very low33.1Very low164 Ų164136.1 Ų136.177%0.76678%0.78SS**  67.5107.956.1-162.2-171.9167.200111
584S31.2Very low33.2Very low116 Ų116137.8 Ų137.881%0.81179%0.793SS**  85.6149.166.1152.80000114
585G31.6Very low33.5Very low60 Ų60138.9 Ų138.962%0.61980%0.798SS**  trans99.5114.1-162.700000110.1
586V38.7Very low33.6Very low159 Ų159137.4 Ų137.496%0.96480%0.801SS**  cis65.8116.437.3-169.70000112.3
587G31.7Very low33.7Very low71 Ų71136.7 Ų136.773%0.73279%0.793SS**  trans151.384.3175.900000113.7
588E36.9Very low33.9Very low176 Ų176134 Ų13482%0.82279%0.79SS**  trans-78.2150.4149.7-167.1173.9-113.500107.8
589P50Low33.9Very low104 Ų104133.4 Ų133.468%0.67579%0.786SS**  -145.4151117.137.2-23.7000115
590D39.3Very low34.3Very low131 Ų131135 Ų13570%0.70179%0.785SS**  trans-56.9155.1162.3-89.5-45.8000113.5
591W32.3Very low34.5Very low241 Ų241134.5 Ų134.591%0.91378%0.781SS**  trans-141.9105.4151-83.4101.6000111.7
592S34.1Very low34.9Very low113 Ų113135.1 Ų135.179%0.7978%0.78SS**  trans-74.5142.1166.2-50.70000110.7
593G31Very low34.7Very low76 Ų76134.2 Ų134.278%0.78478%0.776SS**  trans-17075.1-175.500000119.5
594A29.6Very low34.7Very low109 Ų109130.9 Ų130.990%0.90176%0.761SS**  trans62.2160.614500000121.9
595E35.7Very low35.2Very low200 Ų200135.3 Ų135.394%0.93576%0.76SS**  trans-98.2135.3-176.9-58.9164.8108.900112.8
596A33.7Very low35.3Very low106 Ų106136 Ų13688%0.87677%0.767SS**  trans-171.6154.1153.200000108
597G30.4Very low35.2Very low63 Ų63135.8 Ų135.865%0.64977%0.766SS**  cis171.470.33.300000111.7
598E31.7Very low35.4Very low165 Ų165136 Ų13677%0.77177%0.768SS**  trans67.3168.8155.2-53.5-171.1114.800121.3
599F32Very low35.2Very low155 Ų155136.3 Ų136.368%0.6877%0.769SS**  trans81.175.3161-53.3-61.1000122.9
600L38.1Very low34.5Very low131 Ų131135.5 Ų135.569%0.68677%0.772SS**  85.7144.8112.7-78.6173.6000122.9
601K34.2Very low34.2Very low174 Ų174136.9 Ų136.976%0.75778%0.779SS**  trans76.3123.5149.9-74.5157.4-175.41700117.4
602S40.3Very low34.2Very low100 Ų100136.4 Ų136.470%0.69978%0.777SS**  cis-163.3170.8-1.3-54.10000112.5
603R32.5Very low34.2Very low205 Ų205136.9 Ų136.977%0.77478%0.776SS**  trans79.4132.8138.9-157.9159.5-162.3140.223.8116.9
604E33.2Very low34.8Very low94 Ų94138.9 Ų138.944%0.43978%0.775SS.*  cis-160.1145-5.4-130.3169.6167.300111.1
605R41.3Very low34.8Very low208 Ų208141.3 Ų141.379%0.78577%0.773SS**  trans54.6145.5162.3-56.7-170.5-102.9-67.4-8.6118.2
606G35.7Very low34.8Very low76 Ų76140.3 Ų140.378%0.78477%0.773SS**  cis168.6119.9-4.400000109.4
607V36.3Very low34.6Very low153 Ų153138.9 Ų138.993%0.92777%0.768SS**  trans-91.3145.6-174.4-1740000110.5
608G34.7Very low34.7Very low76 Ų76144.5 Ų144.578%0.78478%0.783SS**  trans-165.465.9-179.100000114.3
609Q34.1Very low34.8Very low182 Ų182148.2 Ų148.285%0.8579%0.79SS**  trans-74.3141.5157.2-78.8-74.81.400108.9
610A34.6Very low34.8Very low88 Ų88148.2 Ų148.273%0.72780%0.797SS**  trans-148119.9174.200000110.4
611D33.8Very low34.5Very low160 Ų160150.8 Ų150.886%0.85681%0.808SS**  trans-93.4167.5172.5-96.5-53.7000111.9
612W32.2Very low34.4Very low230 Ų230146.6 Ų146.687%0.87181%0.805SS**  trans-86.1141.8-159.8-66.669.2000114.9
613T33.1Very low34.5Very low124 Ų124148.1 Ų148.176%0.76181%0.813SS**  trans-149.1130.1151.7-57.70000109.2
614P44.2Very low34.2Very low118 Ų118141.8 Ų141.877%0.76681%0.811SS**  trans-100.8115.9179.434.7-28.3000112.2
615D29.8Very low34.1Very low160 Ų160142.7 Ų142.786%0.85684%0.835SS**  trans-93.3140.9172-89.7-32.7000112.6
616L35.1Very low33.5Very low178 Ų178136 Ų13693%0.93283%0.83SS**  trans-129.7130.8169.8-79.7174.6000109.7
617G30Very low33.1Very low76 Ų76139 Ų13978%0.78484%0.838SS**  trans99.586.4162.300000115.6
618L32.9Very low32.7Very low182 Ų182137.2 Ų137.295%0.95383%0.832SS**  trans-76.5126.9158.1-72.4172.8000109.8
619R32.6Very low32.9Very low243 Ų243139.9 Ų139.992%0.91784%0.836SS**  trans-128137.7162.2-85.7-173.7168.7-107.4-2109.4
620N32.9Very low32.7Very low155 Ų155135 Ų13583%0.82983%0.834SS**  trans-52146.7-169.4-43.5-22.5000114.6
621M31.3Very low32.6Very low185 Ų185139.8 Ų139.891%0.91184%0.841SS**  -156.8162.8109.4-100.4-54.417600111.7
622A32.9Very low32.9Very low86 Ų86137 Ų13771%0.71183%0.832SS**  trans-100.5-159.2-171.300000110.7
623P40.5Very low32.8Very low131 Ų131135.5 Ų135.585%0.85183%0.826SS**  cis-140.5175.78.643.7-25.5000117.8
624G26.8Very low32.7Very low72 Ų72135.8 Ų135.874%0.74282%0.819SS**  trans134.4106.3141.600000119
625A31.7Very low32.2Very low113 Ų113138.1 Ų138.193%0.93482%0.824SS**  trans58144161.300000119.5
626G27.8Very low32.4Very low67 Ų67133.8 Ų133.869%0.69182%0.817SS**  cis175.7163.9-7.200000113.2
627C27Very low32.1Very low140 Ų140132.7 Ų132.795%0.94682%0.817SS**  trans68.6106.7167.8-57.60000120.3
628S28.5Very low32.2Very low115 Ų115133 Ų13380%0.80482%0.82SS**  trans-86.2-168.8151.3-310000110
629P40Very low32.1Very low132 Ų132133.5 Ų133.586%0.85782%0.818SS**  cis-127.7-178.9-15.140.8-25.3000113.3
630G28.7Very low32.1Very low79 Ų79127.7 Ų127.781%0.81481%0.809SS**  trans173.560.9173.800000119.3
631E32.3Very low32.1Very low189 Ų189127 Ų12788%0.88381%0.806SS**  trans-73.4165.3154.9-89.4-168.9138.700110.4
632P41.5Very low32.2Very low103 Ų103130.2 Ų130.267%0.66981%0.808SS**  cis-152.3-170.335.845.2-24.6000118.3
633R29.5Very low32.2Very low197 Ų197129 Ų12974%0.74380%0.804SS**  trans73.2144.5157.9-70.3-174.6-176.4-92.2-10.2117.6
634E31.1Very low31.8Very low131 Ų131130.2 Ų130.261%0.61280%0.803SS**  cis-170.1176.4-16.5-120.5165.2176.600109.2
635L32.7Very low32.4Very low167 Ų167133.9 Ų133.987%0.87481%0.806SS**  trans82.3133.5165.8-45.5-175.8000118.6
636G33.7Very low32.7Very low68 Ų68136.4 Ų136.470%0.70180%0.803SS**  trans81.182.117300000114
637V29.3Very low33.2Very low155 Ų155136.2 Ų136.294%0.93980%0.801SS**  cis51.589.442.4-1700000110.7
638G33.3Very low33.6Very low82 Ų82136.9 Ų136.985%0.84579%0.794SS**  trans-17925.6-170.600000118.3
639Q29.3Very low34.1Very low194 Ų194140.8 Ų140.891%0.90779%0.791SS**  trans-131.1115.8160.1-157.5166.131.800109.6
640V33.7Very low33.7Very low121 Ų121140.4 Ų140.473%0.73378%0.782SS**  trans-104.9141176158.80000107.4
641D33Very low34.2Very low141 Ų141143.8 Ų143.875%0.75478%0.781SS**  trans-62.5146.9176-61.5-76.8000113.3
642W33.7Very low34.2Very low252 Ų252142.8 Ų142.896%0.95578%0.776SS**  trans-135.5113.4148.2-64.299.6000107.2
643G31.7Very low33.8Very low61 Ų61143.7 Ų143.763%0.62978%0.779SS**  cis-174.3171.1-700000110.7
644D33.1Very low33.8Very low156 Ų156140 Ų14083%0.83478%0.784SS**  trans-58.1147.3173.1-61.7-91000112.3
645D38.2Very low33.6Very low149 Ų149139 Ų13980%0.79779%0.79SS**  -142.8139.7127.6-122.9-33.3000109
646L39.7Very low33.4Very low166 Ų166137.8 Ų137.887%0.86978%0.784SS**SBendtrans58.980.5179.6-39.8-179.1000115
647G36.7Very low33.4Very low63 Ų63141.5 Ų141.565%0.64979%0.787SS**  cis110.7149.34400000111.5
648L36.3Very low33.5Very low154 Ų154142.8 Ų142.881%0.80678%0.783SS**  trans77.368.8176-51.4-176.6000118.6
649R38.6Very low33.4Very low196 Ų196144.7 Ų144.774%0.7478%0.784SS**  trans-23.7142.913659.8-179.6-166.9-71.7-9.4115.2
650N32.9Very low33.6Very low125 Ų125139.1 Ų139.167%0.66878%0.778SS**  166.9140.8112.6-90.1-15.4000113.3
651L37.3Very low33.4Very low150 Ų150137.4 Ų137.479%0.78579%0.785SS**  trans58.2146.2166-83.969.6000118
652E32.7Very low33.4Very low167 Ų167135.7 Ų135.778%0.7878%0.784SS**  cis174.6117.9-30168.8160.4-158.200105
653V33Very low33.5Very low123 Ų123135.5 Ų135.575%0.74578%0.783SS**  trans-10.1130.8160.7177.80000117.1
654S29.7Very low33.4Very low120 Ų120135.7 Ų135.784%0.83979%0.786SS**  -159.4116.6126.1-79.50000111.4
655C27Very low33.4Very low108 Ų108135.3 Ų135.373%0.7379%0.793SS**  trans-79.5153.6156.8-56.80000108.9
656D28.6Very low33.1Very low142 Ų142132 Ų13276%0.75980%0.795SS**  174.7145.2110-96.9-7.9000113
657L33Very low33.1Very low147 Ų147131.7 Ų131.777%0.7780%0.799SS**  trans49.2151.8153.7-79.970.7000119.1
658E31.6Very low33Very low181 Ų181131.9 Ų131.985%0.84680%0.801SS**  cis-144.3158.921.7-157.6174.5159.600111.5
659S32.3Very low32.6Very low123 Ų123133.7 Ų133.786%0.8681%0.806SS**  trans-102.5133.4179.7-1800000111.3
660G32.4Very low32.6Very low76 Ų76131.6 Ų131.678%0.78481%0.806SS**  trans-164.1128.7179.600000116.5
661G29.8Very low32.5Very low86 Ų86133.2 Ų133.289%0.88781%0.814SS**  trans103.8108.4153.600000116.6
662S33Very low32.5Very low105 Ų105137.3 Ų137.373%0.73482%0.82SS**  trans-100.6169.9169.160.30000112.5
663R35.3Very low32.4Very low247 Ų247133.7 Ų133.793%0.93282%0.818SS**  trans100.8145.9179.9-56.5155.4-165.1-94.31.7113.3
664G31Very low32.4Very low66 Ų66136.6 Ų136.668%0.6882%0.824SS**  cis138.1140.6-8.500000114.2
665C32.7Very low32.5Very low148 Ų148138.2 Ų138.2100%182%0.823SS**  trans71.3150.6176.5-53.70000116.7
666G32Very low32.8Very low80 Ų80140.2 Ų140.283%0.82583%0.826SS**  trans145.565.6165.500000117.6
667V39.6Very low33Very low159 Ų159136.5 Ų136.596%0.96482%0.821SS**  trans-98.4130.2159.4176.60000107.9
668G35Very low33Very low67 Ų67136 Ų13669%0.69182%0.819SS**  trans-179.495.7178.600000117.5
669Q28.1Very low33.1Very low192 Ų192136.8 Ų136.890%0.89781%0.814SS**  trans61.2157.4145.3-73.1-75.563.300121.5
670M37.7Very low33.1Very low152 Ų152136.4 Ų136.475%0.74980%0.802SS**  trans-120.5149.4176.9-167.291.872.200108.5
671D31.6Very low33.1Very low158 Ų158139.3 Ų139.385%0.84580%0.799SS**  trans-168.7169147.6-108.5-32000113.6
672W35.7Very low33.1Very low236 Ų236144.8 Ų144.889%0.89479%0.793SS**  trans-113.8139.2-163.2-64.676.5000116
673A32.3Very low33Very low91 Ų91146.7 Ų146.775%0.75279%0.794SS**  trans-172.3124.515000000109.1
674Q31.3Very low32.5Very low184 Ų184140.8 Ų140.886%0.8679%0.789SS**  81.6106.561.5-75.1-175.746.900115.6
675D31.8Very low32.4Very low155 Ų155141.2 Ų141.283%0.82979%0.794SS**  trans-167169.2146-137.923.5000109
676L34.9Very low32.2Very low149 Ų149138.8 Ų138.878%0.7878%0.784SS**  -157.8147-89.6-109.3165.9000107.6
677G31.6Very low32.8Very low64 Ų64140.7 Ų140.766%0.6678%0.782SS**  trans168.582.9176.600000113.3
678L33Very low32.2Very low138 Ų138137.5 Ų137.572%0.72377%0.767SS**  56.1118.586-68.6170.7000112.2
679R33Very low31.8Very low196 Ų196142.4 Ų142.474%0.7477%0.772SS**  cis-157.8144.433.8-72.7-164.1156.6-131-14.7115.6
680N32.5Very low32.3Very low115 Ų115139.4 Ų139.462%0.61577%0.766SS**  trans62142.3133.7-59.41.3000120
681L32.3Very low32.1Very low137 Ų137141.8 Ų141.872%0.71777%0.767SS**  cis-171.7165.3-8.1-131.167.4000105.3
682R31Very low32.2Very low201 Ų201140.8 Ų140.876%0.75876%0.757SS**  cis-164.7172.4-3.4-154.4178.6-175.3179.81.2108.5
683L30Very low31.9Very low145 Ų145135.6 Ų135.676%0.75976%0.756SS**  trans75132.1158-58.4158.8000116.8
684C26.3Very low31.8Very low123 Ų123134.8 Ų134.883%0.83176%0.756SS**  cis-166.8151.7-21.9-134.10000110.4
685G26.9Very low31.8Very low76 Ų76133.1 Ų133.178%0.78476%0.758SS**  trans93.385.2155.100000118.3
686A30.4Very low31.8Very low97 Ų97129.5 Ų129.580%0.80276%0.758SS**  trans-96.1173.3130.200000107.1
687P43.5Very low31.5Very low120 Ų120132 Ų13278%0.77976%0.756SS**  cis-145.3-161.414.641.1-18.7000115.4
688S27Very low31.5Very low91 Ų91135.7 Ų135.764%0.63677%0.766SS**  trans107.7141.1136-124.10000121.8
689E27.8Very low31.3Very low170 Ų170131 Ų13179%0.79475%0.751SS**  trans57.3115.2143.2-82.2160.2115.900123.5
690V37.1Very low31.5Very low130 Ų130126.5 Ų126.579%0.78875%0.747SS**  trans-43.8134.5136.5-169.80000111.4
691R33.7Very low31.3Very low201 Ų201126.9 Ų126.976%0.75875%0.749SS**  165.4132.6122.4-88.4179.975.9-159.91.8115.3
692E33.4Very low31.4Very low137 Ų137126.7 Ų126.764%0.6475%0.748SS**  trans52.2139142.1-76.1174.994.900125.2
693C29.6Very low31.2Very low128 Ų128124.2 Ų124.287%0.86575%0.745SS**  trans74.2142.6151.4-67.60000120
694G30.2Very low31.2Very low73 Ų73124.3 Ų124.375%0.75375%0.746SS**  trans-177.6-33.3177.500000121.1
695V32.4Very low31.3Very low149 Ų149125.4 Ų125.490%0.90374%0.743SS**  trans46.5124.6170.1-174.70000120.2
696G30.7Very low32.2Very low80 Ų80126.6 Ų126.683%0.82574%0.737SS**  trans-154.7126.4152.200000110.7
697R29.9Very low32.1Very low200 Ų200132.2 Ų132.276%0.75574%0.744SS**  trans-145135.3-165.5-168.2-169.2-158.9-84.71115.3
698V30Very low31.4Very low143 Ų143131.6 Ų131.687%0.86774%0.742SS**  trans-148131.1157.51760000106.1
699G29.6Very low31.4Very low39 Ų39133.1 Ų133.140%0.40275%0.753SS.*  cis110.7125.5-1.500000112.7
700P38.3Very low31.3Very low102 Ų102128.1 Ų128.166%0.66275%0.747SS**  cis-76.5-145-1.238.9-40.6000111.3
701D27.2Very low30.8Very low123 Ų123127.1 Ų127.166%0.65875%0.746SS**  cis-126.9166.5-1.3-88.5-47.7000108.7
702L33.8Very low30.5Very low132 Ų132125.3 Ų125.369%0.69175%0.75SS**  cis93.8125.730.3-61.2-170.7000116.1
703E27.7Very low30.5Very low150 Ų150124 Ų12470%0.70176%0.756SS**  cis-168.7174.6-29.9-133.2179.9-160.400112.8
704L29.3Very low31.1Very low147 Ų147123.8 Ų123.877%0.7775%0.753SS**  trans66.3104.6150.1-68.3163000122.1
705D29.9Very low30.8Very low146 Ų146123.2 Ų123.278%0.78175%0.748SS**  -82.9166125.4-165.540.2000107.8
706P45.4Very low30.6Very low101 Ų101123.5 Ų123.566%0.65674%0.743SS**  cis-131.4-178-3.543-27.7000115.3
707K28.6Very low30.5Very low214 Ų214127 Ų12793%0.9374%0.738SS**  trans-155.9164.8148.1-123.6165.5-172.81720114.6
708S27.1Very low30.4Very low107 Ų107123 Ų12375%0.74874%0.736SS**  trans-134.3158.6-164.3-176.10000113.4
709S28.3Very low30.4Very low123 Ų123124.1 Ų124.186%0.8673%0.731SS**  trans64.5154.1165.171.10000120.3
710G25.4Very low30.5Very low65 Ų65129.6 Ų129.667%0.6775%0.752SS**  trans112.754.5179.100000115.1
711S25.9Very low30.8Very low109 Ų109130.4 Ų130.476%0.76276%0.757SS**  39.3115.890.870.50000116.3
712L28.9Very low30.9Very low164 Ų164131.7 Ų131.786%0.85976%0.763SS**  175.2111123.2-93.5169.7000112.4
713S33Very low30.7Very low110 Ų110131.7 Ų131.777%0.76976%0.759SS**  trans-83.8154.8135.1-42.80000106.8
714P40.8Very low30.8Very low122 Ų122128.5 Ų128.579%0.79276%0.759SS**  -122.5179.860.85.519.6000112.2
715G24.1Very low31.2Very low62 Ų62131.2 Ų131.264%0.63976%0.759SS**  cis113.5171.918.600000110.6
716L29.7Very low31.4Very low154 Ų154133.7 Ų133.781%0.80677%0.766SS**  trans72139.8-163.8-49.3175000112.7
717E27.1Very low30.9Very low155 Ų155137.2 Ų137.272%0.72478%0.778SS**  cis-165.8177.5-23.2-134.1160.5-149.200109.2
718T28.8Very low30.8Very low114 Ų114130.5 Ų130.570%0.69977%0.77SS**  trans62.9126.5157.544.80000121.6
719E29.3Very low30.9Very low167 Ų167132.6 Ų132.678%0.7878%0.778SS**  trans60.8124137.9-52.3-51.887.600122.2
720D31.8Very low31Very low154 Ų154129.8 Ų129.882%0.82477%0.768SS**  trans-56.5148.9142.5-84.4-53.3000109.8
721P44.3Very low31.3Very low119 Ų119135.5 Ų135.577%0.77378%0.777SS**  -14013610835.2-23.1000116.1
722L29.6Very low31.7Very low151 Ų151137.3 Ų137.379%0.79178%0.776SS**  trans-7.7152.8135.7-63.6171.7000120
723E29.9Very low31.7Very low131 Ų131134.9 Ų134.961%0.61277%0.774SS**  trans61.994.4147.4-73.9-156.398.800121R725E723-R725 IonicContact OE1-CZ 2.85Å; E723-R725 IonicContact OE1-NE 2.72Å; E723-R725 IonicContact OE1-NH2 2.61Å; E723-R725 PolarHBondContact OE1-NH2 3.33Å
724A28.7Very low31.5Very low83 Ų83133.1 Ų133.169%0.68677%0.773SS**  62.1160.799.700000122
725R39.5Very low31.9Very low205 Ų205132.7 Ų132.777%0.77477%0.77SS**  trans72.9103.9164.4-45.4169.1-154.5-98.5-4.3116.5E723E723-R725 IonicContact OE1-CZ 2.85Å; E723-R725 IonicContact OE1-NE 2.72Å; E723-R725 IonicContact OE1-NH2 2.61Å; E723-R725 PolarHBondContact OE1-NH2 3.33Å
726E33.8Very low31.9Very low198 Ų198137.4 Ų137.493%0.92578%0.775SS**  trans-148.6161.3136.1-136.8176.7175.400111.9
727L35.1Very low32Very low175 Ų175135.6 Ų135.692%0.91677%0.771SS**  trans-117.7139.7-177.3-64.9165.7000108.9
728G26.2Very low32.1Very low73 Ų73137 Ų13775%0.75378%0.777SS**  trans-164.982.2-174.300000118
729V29.5Very low32.1Very low151 Ų151134.3 Ų134.392%0.91577%0.773SS**  trans38.1131.4134.9-175.40000121.3
730G29.6Very low32.1Very low63 Ų63134.6 Ų134.665%0.64977%0.774SS**  trans143.392.6160.100000112.7
731E31.3Very low31.9Very low185 Ų185134.1 Ų134.186%0.86477%0.771SS**  65.4125.186.9-68-166.1157.200113.2
732I34.3Very low31Very low147 Ų147133.7 Ų133.775%0.75477%0.771SS**  cis-152.1161.727.747173.4000114.7
733S30Very low31Very low114 Ų114131.7 Ų131.780%0.79777%0.77SS**  trans68.3123.5149.7-62.30000122.9
734G27.8Very low31.6Very low73 Ų73131.1 Ų131.175%0.75378%0.78SS**  trans-89.8-137.5155.900000112
735P48.7Very low31.7Very low112 Ų112132 Ų13273%0.72778%0.779SS**  cis-131.6-160.719.346.9-29.6000112.4
736E25.4Very low31.3Very low161 Ų161127.5 Ų127.575%0.75278%0.779SS**  cis-154.8138.2-0.4-141.7148.3141.400111.4
737T31.1Very low31.2Very low117 Ų117125.8 Ų125.872%0.71877%0.769SS**  trans37.5138.2147.461.50000125.6
738Q29.6Very low30.7Very low183 Ų183125.9 Ų125.986%0.85576%0.764SS**  trans110.9140130-156.9166.79.100119.7
739G29Very low30.8Very low59 Ų59128.5 Ų128.561%0.60877%0.766SS**  trans92.8102.3178.100000112.4
740E28.7Very low31.4Very low173 Ų173127.1 Ų127.181%0.80876%0.76SS**  79.6106.958.5-64.2177.6120.400114.5
741D27Very low31.2Very low144 Ų144128.2 Ų128.277%0.7776%0.758SS**  trans52.1109.8144.7-61.1-4.3000123.4
742S25.8Very low31.1Very low109 Ų109127.9 Ų127.976%0.76276%0.756SS**  84.7134.6128.778.60000121.8
743S30.8Very low30.9Very low109 Ų109127.5 Ų127.576%0.76276%0.756SS**  trans65.590.8146.1-56.70000120.3
744S41.2Very low31.2Very low120 Ų120127.5 Ų127.584%0.83975%0.751SS**  trans68.6146.6158.1-56.10000117.4
745P31.3Very low31.2Very low100 Ų100126.8 Ų126.865%0.64974%0.744SS**  -140.2160.1119.138.6-28.7000114.8F747P745-F747 HydrophobicContact CB-CD2 4.49Å; P745-F747 HydrophobicContact CB-CE2 3.86Å; P745-F747 HydrophobicContact CB-CZ 4Å; P745-F747 HydrophobicContact CG-CD2 4.37Å; P745-F747 HydrophobicContact CG-CE2 3.6Å; P745-F747 HydrophobicContact CG-CZ 4.09Å
746S31.3Very low30.4Very low111 Ų111129.6 Ų129.678%0.77675%0.749SS**  trans-102.2153.5158176.80000109
747F30.4Very low30.7Very low162 Ų162128.5 Ų128.571%0.71175%0.749SS**  trans-139145.5165.5-64.3-71000108.3P745P745-F747 HydrophobicContact CB-CD2 4.49Å; P745-F747 HydrophobicContact CB-CE2 3.86Å; P745-F747 HydrophobicContact CB-CZ 4Å; P745-F747 HydrophobicContact CG-CD2 4.37Å; P745-F747 HydrophobicContact CG-CE2 3.6Å; P745-F747 HydrophobicContact CG-CZ 4.09Å
748E25.6Very low30.9Very low177 Ų177129.2 Ų129.283%0.82775%0.753SS**  cis-147.1176.49.1-138.9166.4131.600113
749T28Very low30.9Very low129 Ų129124.2 Ų124.279%0.79175%0.75SS**  trans-98.7-171.3-170.144.30000111.7
750P42.7Very low30.8Very low121 Ų121131 Ų13179%0.78677%0.766SS**  cis-127.8-171.38.546-27.6000114.2
751S25.7Very low30.7Very low86 Ų86127 Ų12760%0.60176%0.763SS**  cis-155.5163.916.9-159.80000112.9
752E29.3Very low31.6Very low179 Ų179125.3 Ų125.384%0.83676%0.76SS**  trans51.1147.8160.7-71.2143.8101.800120.4
753D29.4Very low31.6Very low139 Ų139124.8 Ų124.874%0.74376%0.756SS**  cis174.5160.9-39.3171.946.4000106.1
754T35.5Very low31.5Very low113 Ų113128 Ų12869%0.69376%0.764SS**  trans67120.2177.3-59.10000115.6M756T754-M756 HydrophobicContact CG2-CE 3.92Å
755G27.8Very low31Very low58 Ų58125.7 Ų125.760%0.59876%0.758SS**  cis158.7166-5.200000111.9
756M33.7Very low30.8Very low172 Ų172125.9 Ų125.985%0.84777%0.769SS**  trans56.3141.9159.779-153.882.400120.2T754T754-M756 HydrophobicContact CG2-CE 3.92Å
757D31.2Very low30.6Very low138 Ų138125 Ų12574%0.73876%0.762SS**  cis-169161.3-17.5-166.5-3000109.2
758T34.6Very low31.7Very low131 Ų131121 Ų12180%0.80475%0.752SS**  trans52.8139.6160.131.30000122.7
759G28.8Very low31.8Very low78 Ų78117.8 Ų117.880%0.80475%0.75SS**  trans171.2106.6163.700000115.4
760E28.4Very low31.6Very low202 Ų202117.1 Ų117.194%0.94475%0.751SS**  trans-69.7168.7-173.7-60.2165.6101.400116.3
761A26.4Very low30.8Very low89 Ų89117 Ų11774%0.73675%0.751SS**  trans-103.3-171.5158.200000109.2
762P46.4Very low30.8Very low109 Ų109120.1 Ų120.171%0.70876%0.76SS**  cis-138.5177-7.542.5-25.7000115.6
763S25.5Very low30.8Very low98 Ų98117.6 Ų117.669%0.68576%0.757SS**  trans73.1162.4142.579.60000123.1
764L27.7Very low30.6Very low177 Ų177122.1 Ų122.193%0.92776%0.764SS**  trans73153160.3-61.2172.5000120.1
765G30.5Very low30.3Very low70 Ų70122.2 Ų122.272%0.72277%0.769SS**  trans11376.7177.900000113.8
766A27.6Very low31.6Very low105 Ų105124.8 Ų124.887%0.86878%0.775SS**  64.7103.371.300000114.9
767S28.3Very low32.3Very low91 Ų91122.5 Ų122.564%0.63677%0.773SS**  trans-84.4-177.4163.9-35.70000110.7H270H270-S767 WeakPolarHBondContact NE2-CB 3.11Å
768P53.4Low32.3Very low78 Ų78121.7 Ų121.751%0.50678%0.778SS.*  cis-131.3-173.7-25.341.4-28.1000113.2
769S26.7Very low32Very low111 Ų111118.5 Ų118.578%0.77677%0.772SS**  trans73.5141.6160.883.70000116.8
770S24.7Very low32.3Very low115 Ų115119.9 Ų119.980%0.80477%0.769SS**  -160.8166.859.245.40000115.7
771C25.6Very low32.6Very low117 Ų117118.4 Ų118.479%0.79176%0.762SS**  trans-57.4171.6-167.6-49.80000119.5
772L26.4Very low32.9Very low153 Ų153119 Ų11980%0.80176%0.761SS**  trans85.197.3156.4-61.5177.7000120.2
773T29Very low32.2Very low125 Ų125121 Ų12177%0.76777%0.765SS**  35.5124.9124.459.60000120.5
774R25.4Very low32.4Very low234 Ų234122.8 Ų122.888%0.88377%0.766SS**  158.8117.9115.6177.1177.9-170.9-124.76.1113.3
775S27.3Very low32.6Very low115 Ų115122.5 Ų122.580%0.80476%0.76SS**  trans177123.4137-810000112.5
776P57Low32.6Very low113 Ų113122.3 Ų122.373%0.73476%0.758SS**  trans-98.1158.6164.338.2-32.3000111.6
777P47.3Very low32.9Very low123 Ų123125 Ų12580%0.79976%0.756SS**  -134161.194.437.8-26.9000112.3
778S30.6Very low32.9Very low121 Ų121128.7 Ų128.785%0.84677%0.766SS**  cis88.3134.523.6-163.80000115.8
779G29.5Very low31.7Very low65 Ų65130.5 Ų130.567%0.6778%0.775SS**  trans106.3132.6177.300000113.7
780S35.7Very low31.7Very low106 Ų106129.3 Ų129.374%0.74177%0.772SS**  cis-173.2152-4.926.10000109.6
781Q33.8Very low31.7Very low171 Ų171129.6 Ų129.680%0.79977%0.774SS**  cis-166.7152.3-4.1-113.4166.736.900111.1
782S33.3Very low31.7Very low103 Ų103129 Ų12972%0.7277%0.771SS**  trans59.7169.7154.671.10000118.3
783L30.7Very low31.8Very low150 Ų150126.6 Ų126.679%0.78577%0.767SS**  cis-161.8146.718-160118.2000108.1
784L31Very low31.8Very low136 Ų136130.6 Ų130.671%0.71277%0.774SS**  cis-147.3-111.9-2.3-142.1-169.7000111.7
785E31.9Very low31.9Very low171 Ų171123.2 Ų123.280%0.79977%0.77SS**  trans-101.8174.8179.8-75.414814200112.3
786G29.9Very low32Very low66 Ų66122.3 Ų122.368%0.6877%0.77SS**  cis160.3174.2-4.500000112.7
787I32.9Very low31.5Very low162 Ų162122.6 Ų122.683%0.83177%0.772SS**  trans27.3123.2161.9-12.1174.7000120.4
788M28.6Very low30.5Very low168 Ų168126.1 Ų126.183%0.82878%0.777SS**  179.9168.8121.3-99.1-58.3-79.300113.8
789T29Very low30.5Very low115 Ų115130 Ų13071%0.70677%0.773SS**  trans-103.7154.8-176.746.60000114.2
790A26Very low30.4Very low87 Ų87133.1 Ų133.172%0.71977%0.771SS**  trans63.1136.4150.700000121.4
791S26.1Very low30.1Very low120 Ų120133.4 Ų133.484%0.83977%0.773SS**  trans59.6153.5140.1-61.90000122
792S24.9Very low29.8Very low105 Ų105129.9 Ų129.973%0.73477%0.773SS**  trans68.5114.3178.9-1690000114.8
793S28.5Very low29.7Very low102 Ų102129.6 Ų129.671%0.71378%0.777SS**  cis89.3146.242.391.20000115.5
794K27.8Very low29.5Very low210 Ų210128.5 Ų128.591%0.91378%0.782SS**  trans80.3112.5160.8-164.8178.1-177.6-178.90117.9
795G28.6Very low29.4Very low78 Ų78124.2 Ų124.280%0.80477%0.771SS**  trans170.270.8171.500000116.1
796A30Very low29.2Very low96 Ų96121.2 Ų121.279%0.79377%0.768SS**  trans-75166.6166.600000110.4
797P45.6Very low29.3Very low119 Ų119129.3 Ų129.377%0.77378%0.778SS**  cis-148.4151.926.640.6-19.7000119.8
798Q27.2Very low29Very low197 Ų197127.6 Ų127.692%0.92178%0.775SS**  -148.7144.1118-141.2170.2100109.9
799R30.4Very low29.1Very low202 Ų202126.2 Ų126.276%0.76277%0.77SS**  trans-141.5152.1-169.1-107.4-171.5151.8-161-21.5108.4
800E26.8Very low29.3Very low132 Ų132126.7 Ų126.762%0.61777%0.768SS**  cis-155.8157.9-7.5-154.5156.2-145.800109.6
801S29.1Very low29.6Very low112 Ų112130 Ų13078%0.78377%0.768SS**  trans-2.4121.8169.3-51.60000121.2
802A28.8Very low29.6Very low97 Ų97133.3 Ų133.380%0.80277%0.771SS**  trans-70.3170.214400000110.2
803A29.3Very low29.8Very low97 Ų97137.6 Ų137.680%0.80278%0.779SS**  cis-146.1165.6400000111.1
804S27.6Very low29.7Very low127 Ų127135.8 Ų135.889%0.88878%0.777SS**  trans-128179.5168.2-174.90000109.2
805G27.8Very low29.9Very low46 Ų46134.1 Ų134.147%0.47478%0.777SS.*  trans125.6117.5159.700000115.7R306R306-G805 PolarHBondContact NH1-O 3.3Å
806S27.9Very low29.8Very low107 Ų107134.7 Ų134.775%0.74877%0.774SS**  trans-118.1129176.656.70000111.9
807R31.8Very low29.8Very low236 Ų236135.4 Ų135.489%0.89178%0.78SS**  trans62.3159.4131.5-142.4-177-159.9-160.45.5120.2
808V27.9Very low28.9Very low127 Ų127133.8 Ų133.877%0.7779%0.785SS**  trans81.9141.1162.4177.90000116.2
809L30.5Very low29Very low138 Ų138129.9 Ų129.972%0.72379%0.786SS**  cis-178.7166.5-26.9-151.1139.8000107.9
810L33.3Very low28.9Very low126 Ų126123.3 Ų123.366%0.6678%0.781SS**  trans76.3155.9155.4-141.662.2000116.8
811E31.2Very low29Very low156 Ų156126.7 Ų126.773%0.72980%0.797SS**  cis-101.2-138.1-6.5-148.793.4-128.800110.1
812E26.7Very low28.9Very low190 Ų190124.4 Ų124.489%0.88879%0.791SS**  cis-150.2176.4-0.1-150.3172.2118.600109.3
813E29Very low29Very low195 Ų195128.1 Ų128.191%0.91179%0.792SS**  trans-141.7146.4-161.1-176.5-178.2118.900114.7
814G27.2Very low29.4Very low64 Ų64128.3 Ų128.366%0.6679%0.785SS**  trans143.2125.9150.400000121.3
815L31Very low29.4Very low174 Ų174130.7 Ų130.791%0.91178%0.782SS**  trans64.9124.3136.2-60.2175.3000124.4
816A27.3Very low29.3Very low91 Ų91136.4 Ų136.475%0.75280%0.796SS**  71.8122.8127.200000123.8
817A29.8Very low29.9Very low111 Ų111136.5 Ų136.592%0.91779%0.794SS**  trans17.9136.7138.900000122.4
818G26.1Very low29.6Very low85 Ų85129.6 Ų129.688%0.87678%0.783SS**  trans176.4132.2159.300000114
819A28.5Very low29.7Very low115 Ų115134.2 Ų134.295%0.9579%0.786SS**  trans-99.4155.418000000113.3
820G29.1Very low29.7Very low63 Ų63131.9 Ų131.965%0.64979%0.787SS**  trans-179.1112.2168.300000109.7
821Q29.6Very low29.9Very low204 Ų204130.5 Ų130.595%0.95379%0.785SS**  65.9118.680.6-66.3-82.8-37.900112.2
822G26.4Very low30.1Very low64 Ų64130.9 Ų130.966%0.6679%0.792SS**  cis162.2168.7-3.400000111.8
823E31.7Very low30.7Very low174 Ų174127.2 Ų127.281%0.81378%0.784SS**  trans66.6160.1168.6-70.2-85.975.100118.6
824P37.7Very low30.6Very low102 Ų102122.5 Ų122.566%0.66277%0.773SS**  cis-135.3140.1-25.932.3-13000116.8
825Q26.3Very low30.6Very low176 Ų176124.8 Ų124.882%0.82278%0.779SS**  50.4107.2128.2-163.3169.894.800124.7
826E26.3Very low30.4Very low166 Ų166128 Ų12878%0.77678%0.779SS**  trans56.8-177.7135.6-109.7-142.4105.500120.3S828E826-S828 PolarHBondContact OE1-N 2.85Å
827P39.4Very low30.9Very low109 Ų109129.3 Ų129.371%0.70878%0.779SS**  cis-137.1173.711.143.7-25.3000121.1
828S27.1Very low31Very low92 Ų92132.5 Ų132.564%0.64378%0.776SS**  trans81.3150147.5-1110000119.7E826E826-S828 PolarHBondContact OE1-N 2.85Å
829R29.8Very low32.2Very low223 Ų223133.3 Ų133.384%0.84277%0.765SS**  cis-158.9122.37.8-158.8171.1-174.9-178.62.7115.7
830A30.4Very low32.2Very low89 Ų89135 Ų13574%0.73676%0.758SS**  trans61.3165.7140.800000121.6
831P36.2Very low32.3Very low97 Ų97135.3 Ų135.363%0.6376%0.761SS**  cis-119.8176.9-0.940.1-26.2000116.9
832L36.3Very low32.3Very low165 Ų165134.6 Ų134.686%0.86476%0.758SS**  trans-119.6168.2171.7-50.5170000107.6
833P39.5Very low32.3Very low112 Ų112136.2 Ų136.273%0.72777%0.765SS**  -154.9-165.774.938.2-15.8000114.3
834S27.1Very low32.3Very low97 Ų97133.1 Ų133.168%0.67876%0.762SS**  -163.2166.2-59.674.20000110.9
835S26.2Very low31.9Very low112 Ų112137.7 Ų137.778%0.78378%0.775SS**  trans74.6112.2147.9-51.40000122.1
836R27.8Very low32.1Very low241 Ų241135.2 Ų135.291%0.90977%0.772SS**  trans-29.2169.8135.9-87.1177.9171.3173.1-3.2116.5
837P37.6Very low32.6Very low118 Ų118135.5 Ų135.577%0.76677%0.773SS**  cis-137.3178.511.339.2-20.1000117.5
838Q30.8Very low32.4Very low179 Ų179135.6 Ų135.684%0.83676%0.764SS**  trans-76-179.3156.2-80.7178.7-94.800112.1
839P52Low32.8Very low101 Ų101136 Ų13666%0.65676%0.762SS**  cis-116.1-125.2-3.113.614.9000111.9
840D29.3Very low32.9Very low152 Ų152128.8 Ų128.881%0.81374%0.74SS**  cis-161.9148.49.8-111.7-34.3000112.6
841G31.3Very low32.8Very low68 Ų68126.3 Ų126.370%0.70172%0.724SS**  trans83.9142.1159.700000118.9
842E28.7Very low32.5Very low190 Ų190125.4 Ų125.489%0.88872%0.717SS**  cis146.4148-16.2-96.6-170.416100108.7
843A27Very low32.2Very low98 Ų98127.2 Ų127.281%0.8171%0.712SS**  trans65.3140.8173.200000117
844S30.6Very low31.9Very low108 Ų108126 Ų12676%0.75571%0.707SS**  cis-143.2147.631.8-580000114.1
845Q30.4Very low32.3Very low199 Ų199129.3 Ų129.393%0.9372%0.716SS**  trans-79.1139.6147.6-72176.1-23.500108.8
846V31.2Very low32.3Very low124 Ų124130 Ų13075%0.75272%0.715SS**  trans-145.6125.4155.522.90000107
847E35.8Very low32.4Very low172 Ų172121.6 Ų121.680%0.80470%0.703SS**  trans-118.5118.5177.8179.1-173.4137.600106.4
848E34.5Very low32.1Very low110 Ų110120.9 Ų120.951%0.51471%0.708SS.*  trans-127.375.4173-86.3-169.313900110.8V425 A426V425-E848 PolarHBondContact N-OE1 3.08Å; V425-E848 PolarHBondContact N-OE2 2.99Å; A426-E848 PolarHBondContact N-OE2 3.29Å
849V35.8Very low32.3Very low101 Ų101116 Ų11661%0.61270%0.698SS**  trans-35.6132.1130.4157.30000111.6
850D32.4Very low31.4Very low71 Ų71122.1 Ų122.138%0.3871%0.708SS.*  -133.2151.2105.7-158.8-2.8000108.7S422 L423S422-D850 CarbonylContact C-O 2.91Å; S422-D850 WeakPolarHBondContact CA-O 3.32Å; S422-D850 PolarHBondContact N-O 3.29Å; S422-D850 CarbonylContact O-C 3.53Å; S422-D850 WeakPolarHBondContact O-CB 3.46Å; L423-D850 PolarHBondContact N-O 2.74Å; L423-D850 VanDerWaalsContact N-O 3.08Å; L423-D850 WeakPolarHBondContact O-CB 3.49Å
851G29.3Very low31.7Very low38 Ų38123.1 Ų123.139%0.39271%0.708SS.*  trans159.2134.8174.500000117.1F421F421-G851 CarbonylContact O-C 3.59Å; F421-G851 WeakPolarHBondContact O-CA 3.49Å
852T28.1Very low31.7Very low78 Ų78125.2 Ų125.248%0.47970%0.703SS.*  -99.6108.6-90.5-70.80000108.5F421F421-T852 WeakPolarHBondContact CB-OG1 3.48Å; F421-T852 PolarHBondContact O-N 3.19Å
853W30.6Very low31.8Very low202 Ų202123.3 Ų123.377%0.76569%0.694SS**  trans41.8111.3146.6-66.162.7000116.4
854S33.1Very low32Very low88 Ų88127.6 Ų127.662%0.61570%0.697SS**  176.6158.963.4-56.90000112.4
855L35.2Very low32Very low166 Ų166127 Ų12787%0.86970%0.699SS**  trans58.8132.9147.3-66.2158000118.4
856T28Very low31.9Very low127 Ų127123.8 Ų123.878%0.77970%0.698SS**  cis-166.3153-1.9-57.50000106.4
857G28.8Very low31.9Very low63 Ų63122.5 Ų122.565%0.64970%0.701SS**  cis140.2142.4-1.300000112.2
858A31.8Very low32.5Very low104 Ų104119.9 Ų119.986%0.8670%0.699SS**  trans72.5156.5-174.600000115.6
859A33.9Very low33Very low76 Ų76119.9 Ų119.963%0.62871%0.708SS**  cis-151.5139.712.100000114.3
860R34.5Very low33.1Very low229 Ų229120 Ų12086%0.86471%0.711SS**  52.9154.1126.3-52.2175.8-173.7-77.2-1.4119.9
861Q34.6Very low32.9Very low174 Ų174127.5 Ų127.581%0.81373%0.734SS**  cis-141.1174.710.2-38.1168.318.800108.5
862N30.6Very low32.7Very low112 Ų112137 Ų13760%0.59976%0.758SS**  cis-149.9-179.5-8.3-149.669.5000110.8
863E32.2Very low33.1Very low149 Ų149138.5 Ų138.570%0.69677%0.769SS**  trans-86.7157.7173.1-34.4127.7113.500112.8
864Q31.8Very low33.4Very low188 Ų188133.5 Ų133.588%0.87976%0.763SS**  -172.1155.7102.9-99.4168.226.900112.7
865A28.8Very low33.2Very low97 Ų97141.1 Ų141.180%0.80278%0.778SS**  trans-133.4163.5-168.600000113
866S29.4Very low32.7Very low130 Ų130136.8 Ų136.891%0.90977%0.774SS**  trans-151133.6158.3-84.20000112.7
867A31.2Very low32.8Very low98 Ų98138.3 Ų138.381%0.8178%0.776SS**  trans-80.4176.4-154.400000117.1
868P47.9Very low32.9Very low117 Ų117141.1 Ų141.176%0.7678%0.776SS**  trans-116.3-141.8-169.545.4-30.4000110.2
869P45.3Very low33.2Very low110 Ų110138.4 Ų138.471%0.71475%0.749SS**  cis-113.2-103.8-20.825.7-1.3000113.4
870P37.8Very low32.8Very low102 Ų102139.8 Ų139.866%0.66275%0.754SS**  cis-137.4120.81135.9-12000118.6
871R28.3Very low32.4Very low230 Ų230134.1 Ų134.187%0.86875%0.749SS**  trans71.1127.1146.6-56.3171.8176.9-175.3-2.9118.4
872R24.5Very low32.7Very low236 Ų236131.1 Ų131.189%0.89174%0.744SS**  66.5152.658.4-77.2-168.6-177.6171.41.7114.6
873P37.2Very low32.8Very low111 Ų111130.2 Ų130.272%0.72175%0.747SS**  cis-140.8-139.1-30.742.3-21.2000109.6
874P36.1Very low33.4Very low97 Ų97130.5 Ų130.563%0.6375%0.748SS**  cis-136.7-175.3-24.742-25.1000116
875R29.3Very low33.8Very low247 Ų247128.5 Ų128.593%0.93274%0.743SS**  trans73.2125.3152.7-76.9174.6178.1-166.7-3.4120.1
876G25.3Very low34.8Very low76 Ų76131 Ų13178%0.78474%0.736SS**  trans-129.9-159.715600000110.3
877L28.8Very low36.2Very low159 Ų159129.9 Ų129.983%0.83273%0.729SS**  trans-159.1172.7162.8-106.7167.7000110.8
878L31.8Very low37.4Very low122 Ų122132.2 Ų132.264%0.63972%0.721SS**  trans-100.9-160.9-158.8-62.1167.3000112.2
879P38.4Very low37.9Very low47 Ų47131.6 Ų131.631%0.30571%0.71SS.*  cis-144.1170.8-546.5-29.6000118.4A432 F433 S434A432-P879 WeakPolarHBondContact O-CG 3.36Å; F433-P879 VanDerWaalsContact C-CD 3.41Å; F433-P879 VanDerWaalsContact C-CG 3.49Å; S434-P879 VanDerWaalsContact N-CD 3.29Å; S434-P879 WeakPolarHBondContact OG-CD 2.96Å; S434-P879 WeakPolarHBondContact OG-CG 3.34Å
880S26.2Very low38.4Very low104 Ų104135.1 Ų135.173%0.72772%0.717SS**  trans47.9141.9132.7-1680000121.3
881C25.8Very low39.3Very low111 Ų111137.8 Ų137.875%0.7573%0.725SS**  cis-173.2-166.42.9-114.10000108.4
882P40.9Very low40.4Very low111 Ų111132.1 Ų132.172%0.72172%0.717SS**  cis-132.4-166.2-35.738.7-20.8000113.1
883S31.8Very low42.1Very low93 Ų93129.6 Ų129.665%0.6572%0.715SS**  trans70.4157.6165.9-106.40000117.8
884E44.4Very low43Very low154 Ų154132.5 Ų132.572%0.7272%0.722SS**  cis-132147.25.8-124.994.9-128.600111
885D41.3Very low44Very low147 Ų147135.2 Ų135.279%0.78673%0.731SS**  trans-92.3141.2172.6-71.5-60.1000112.5S887D885-S887 VanDerWaalsContact C-N 3.29Å; D885-S887 PolarHBondContact O-N 3.35Å
886F50.3Low45Very low148 Ų148129.4 Ų129.465%0.64972%0.719SS**  trans-88.841.8-178-83.8-98.7000114.1F888F886-F888 HydrophobicContact CD1-CD1 4.27Å; F886-F888 AromaticContact CD1-CE1 3.39Å; F886-F888 HydrophobicContact CD1-CE1 3.39Å; F886-F888 AromaticContact CD1-CZ 3.83Å; F886-F888 HydrophobicContact CD1-CZ 3.83Å; F886-F888 AromaticContact CE1-CE1 3.77Å; F886-F888 HydrophobicContact CE1-CE1 3.77Å; F886-F888 HydrophobicContact CE1-CZ 4.04Å; F886-F888 HydrophobicContact CG-CE1 4.31Å; F886-F888 PolarHBondContact O-N 3.5Å
887S56.7Low46.2Very low107 Ų107132 Ų13275%0.74873%0.725SS**THydrogen-bonded Turntrans-72.740.1-179.9-530000114.5D885D885-S887 VanDerWaalsContact C-N 3.29Å; D885-S887 PolarHBondContact O-N 3.35Å
888F57.2Low47.4Very low148 Ų148128.1 Ų128.165%0.64972%0.715SS**THydrogen-bonded Turntrans-125.42.6176.173.7-98.6000114.4F886F886-F888 HydrophobicContact CD1-CD1 4.27Å; F886-F888 AromaticContact CD1-CE1 3.39Å; F886-F888 HydrophobicContact CD1-CE1 3.39Å; F886-F888 AromaticContact CD1-CZ 3.83Å; F886-F888 HydrophobicContact CD1-CZ 3.83Å; F886-F888 AromaticContact CE1-CE1 3.77Å; F886-F888 HydrophobicContact CE1-CE1 3.77Å; F886-F888 HydrophobicContact CE1-CZ 4.04Å; F886-F888 HydrophobicContact CG-CE1 4.31Å; F886-F888 PolarHBondContact O-N 3.5Å
889I58.6Low48.5Very low103 Ų103129.5 Ų129.553%0.52872%0.72SS.*SBendtrans-109.9-7.4-176.2-59.7178.6000112
890E55.9Low49.1Very low185 Ų185137.9 Ų137.986%0.86475%0.748SS**THydrogen-bonded Turntrans-83.2-10.2-176.8-153.5154.2-145.700113.8T892E890-T892 PolarHBondContact O-N 3.04Å
891D55.8Low50.5Low157 Ų157143.4 Ų143.484%0.8475%0.752SS**THydrogen-bonded Turntrans-94.133.5175.4-76.5-30.6000113.5
892T53Low51.3Low111 Ų111143.6 Ų143.668%0.68176%0.755SS**  trans-10494.1167.763.60000111.1E890E890-T892 PolarHBondContact O-N 3.04Å
893E58.7Low52Low184 Ų184147.6 Ų147.686%0.8676%0.756SS**  trans-50.3135-178.2-59.4176.4153.700113.1L895E893-L895 PolarHBondContact O-N 3.28Å; E893-L895 VanDerWaalsContact O-N 3.15Å
894I56.5Low52.7Low171 Ų171147.4 Ų147.488%0.87776%0.759SS**  trans-67.4113.1177.8-61.1172.5000108.7D896I894-D896 PolarHBondContact O-N 2.92Å
895L58.3Low53Low154 Ų154147 Ų14781%0.80676%0.763SS**  trans-72.499.5-166-166.771.6000113E893 S897E893-L895 PolarHBondContact O-N 3.28Å; E893-L895 VanDerWaalsContact O-N 3.15Å; L895-S897 PolarHBondContact O-N 2.74Å
896D49.5Very low53.4Low126 Ų126147.6 Ų147.667%0.67477%0.765SS**  trans-62.4117.3-174.4-137-7.2000112.3I894 A898I894-D896 PolarHBondContact O-N 2.92Å; D896-A898 PolarHBondContact O-N 2.8Å
897S50.7Low53.2Low130 Ų130143.4 Ų143.491%0.90976%0.763SS**THydrogen-bonded Turntrans-74.217-167.1-65.60000115.2L895L895-S897 PolarHBondContact O-N 2.74Å
898A53.6Low53.5Low77 Ų77149.6 Ų149.664%0.63677%0.77SS**THydrogen-bonded Turntrans-90-22.117800000113.9D896 Y900D896-A898 PolarHBondContact O-N 2.8Å; A898-Y900 PolarHBondContact O-N 2.92Å
899M55.7Low53.5Low151 Ų151151.6 Ų151.674%0.74478%0.778SS**  trans-92.350.7-165.3-71-155.7-72.600116.5
900Y50.3Low53.1Low224 Ų224157.7 Ų157.788%0.87880%0.795SS**  trans-139.742.8161.7-102.6-68.3000115.6A898A898-Y900 PolarHBondContact O-N 2.92Å
901R55.2Low52.8Low219 Ų219151.6 Ų151.683%0.82678%0.782SS**  trans-113.137.6162.5-58.8-16584.9-165.910.6113.8R903R901-R903 PolarHBondContact O-N 3.13Å
902S42.9Very low52.8Low115 Ų115153.8 Ų153.880%0.80479%0.787SS**  trans-64.483.8162.7-173.30000110.1A904S902-A904 PolarHBondContact O-N 2.78Å
903R54.8Low52.6Low196 Ų196160 Ų16074%0.7480%0.797SS**  trans-65.4119.7163.2-85.1-173.1166.6-172.9-2.7107.1R901 N905R901-R903 PolarHBondContact O-N 3.13Å; R903-N905 PolarHBondContact O-N 2.82Å
904A48.3Very low52Low88 Ų88155.4 Ų155.473%0.72779%0.791SS**  trans-63.584.317000000110S902 L906S902-A904 PolarHBondContact O-N 2.78Å; A904-L906 PolarHBondContact O-N 2.76Å
905N48.9Very low51.5Low147 Ų147152.9 Ų152.979%0.78679%0.786SS**  trans-68.481.9170.7-78.9-37.7000108.2R903 G907R903-N905 PolarHBondContact O-N 2.82Å; N905-G907 PolarHBondContact O-N 3.37Å
906L51.1Low50.5Low158 Ų158150.2 Ų150.283%0.82779%0.786SS**  trans-65.278.1167.6-69.7177000108.6A904 R908A904-L906 PolarHBondContact O-N 2.76Å; L906-R908 PolarHBondContact O-N 2.96Å
907G46.6Very low50Low60 Ų60151.8 Ų151.862%0.61979%0.793SS**  trans-59.6105.7-177.200000110N905 K909N905-G907 PolarHBondContact O-N 3.37Å; G907-K909 PolarHBondContact O-N 2.82Å
908R62.6Low49.6Very low237 Ų237156.4 Ų156.489%0.89479%0.79SS**  trans-73.362.5176.5-66.6-176.968.9-126.62.6111.2L906L906-R908 PolarHBondContact O-N 2.96Å
909K56.5Low49Very low190 Ų190158.5 Ų158.583%0.82680%0.797SS**  trans-112.2117.3159.6-56.3-73.4-172.81740105G907G907-K909 PolarHBondContact O-N 2.82Å
910R51Low48Very low231 Ų231155 Ų15587%0.87280%0.8SS**  cis-116156.115.1-44.197.8-161.5-782.9108.8
911G49.5Very low47.3Very low57 Ų57148.1 Ų148.159%0.58880%0.797SS**  cis81.198.230.500000108R913G911-R913 PolarHBondContact O-N 2.75Å
912H56Low46.3Very low204 Ų204144 Ų14494%0.94480%0.797SS**  trans-65.2105.2-177.2-65.3-92000109.9
913R47.1Very low46Very low240 Ų240146.7 Ų146.791%0.90680%0.801SS**  trans-106.6138.6153.1-79.7-166.7170.9-159.8-2.7107.3G911G911-R913 PolarHBondContact O-N 2.75Å
914A46.2Very low45Very low88 Ų88140.1 Ų140.173%0.72780%0.795SS**  trans-58.4158.4176.200000111.4
915P47.5Very low44.3Very low118 Ų118144 Ų14477%0.76680%0.803SS**  trans-54.4142.4169.824.4-35000111I917P915-I917 PolarHBondContact O-N 2.91Å
916A37.1Very low43.8Very low98 Ų98142.1 Ų142.181%0.8180%0.801SS**  trans-68.3113.7176.200000109.8R918A916-R918 PolarHBondContact O-N 3.13Å
917I37.8Very low42.8Very low160 Ų160143.7 Ų143.782%0.82180%0.804SS**PPolyproline II helixtrans-64.6118.7171.7-57.9172.6000107.5P915 P919P915-I917 PolarHBondContact O-N 2.91Å; I917-P919 WeakPolarHBondContact O-CD 3.06Å
918R42.6Very low42.2Very low226 Ų226147.6 Ų147.685%0.85382%0.816SS**PPolyproline II helixtrans-86.4117.2165.6-76.9-165.8-79.9141.4-9.5108.7A916A916-R918 PolarHBondContact O-N 3.13Å
919P40.6Very low40.9Very low121 Ų121140.6 Ų140.679%0.78681%0.808SS**PPolyproline II helixtrans-75.8139.6168.6-926.9000110I917I917-P919 WeakPolarHBondContact O-CD 3.06Å
920G35.2Very low39.9Very low77 Ų77139 Ų13979%0.79481%0.809SS**  trans82.3113.3173.600000114.3
921G36.7Very low39.5Very low80 Ų80133 Ų13383%0.82580%0.803SS**  trans165.241.7-17800000112.7
922T34.2Very low39.1Very low134 Ų134136.1 Ų136.182%0.82281%0.806SS**  trans-78.6123.5-176.3460000112
923L35.6Very low38.8Very low170 Ų170133 Ų13389%0.8980%0.801SS**  trans174.5125.9150.1-92.5156.9000103.4
924G34.2Very low39.2Very low59 Ų59131.6 Ų131.661%0.60880%0.796SS**  cis90.6114.446.600000106.6
925L32.8Very low39.6Very low170 Ų170134.2 Ų134.289%0.8980%0.797SS**  cis40.9106.646.2-52.9-176.4000109.7
926S38.1Very low39.5Very low107 Ų107137.8 Ų137.875%0.74880%0.801SS**  cis-161162.512.546.60000111.4
927E31Very low39.5Very low190 Ų190142.3 Ų142.389%0.88881%0.805SS**  trans-121.282.3162.3-168.9175.6149.700110.4
928T33.6Very low39.3Very low143 Ų143141.8 Ų141.888%0.87780%0.804SS**  trans-156.152.7150.9-19.10000110.3
929A36.7Very low39.3Very low89 Ų89135.6 Ų135.674%0.73680%0.796SS**  trans-145.7108.1168.500000108.4
930D35.3Very low39.3Very low158 Ų158136.4 Ų136.485%0.84580%0.798SS**  trans-66164.7170.7-100.3-62000111.6
931S41.1Very low39.4Very low105 Ų105141.6 Ų141.673%0.73480%0.802SS**  trans63.9121.9-17466.20000114.4
932D41.3Very low39.3Very low122 Ų122143.5 Ų143.565%0.65280%0.8SS**  cis-14586.241.1-151.69.6000113.9R934D932-R934 PolarHBondContact O-N 3.08Å; D932-R934 WeakPolarHBondContact OD1-CB 3.46Å
933T50.3Low39.5Very low139 Ų139148.7 Ų148.785%0.85380%0.804SS**  trans-77.151.9173.843.20000112.1
934R54.7Low39.3Very low210 Ų210145.4 Ų145.479%0.79280%0.802SS**  trans-134.810.1-166.5-75.7-161.7149-142.9-8.5118.4D932D932-R934 PolarHBondContact O-N 3.08Å; D932-R934 WeakPolarHBondContact OD1-CB 3.46Å
935L56Low39Very low142 Ų142147.4 Ų147.474%0.74381%0.807SS**SBendtrans-115.1105.8169.7-67.6176.5000110.9
936F45.3Very low39Very low194 Ų194150.4 Ų150.485%0.85181%0.806SS**  trans67.272.7170.7-48.8-71.1000116.2
937Q36.8Very low38.6Very low193 Ų193150.9 Ų150.990%0.90280%0.804SS**  trans-62.7138.1140.1-66.3-179.8-42.100108.8
938D34.1Very low39.2Very low148 Ų148147.7 Ų147.779%0.79180%0.8SS**  trans-129.8111.2156.5-159.2-4.6000110.1
939S43.2Very low39.1Very low97 Ų97145.9 Ų145.968%0.67879%0.793SS**SBendtrans32.489.4149.9-43.50000119.8
940T39.4Very low38.8Very low138 Ų138146.5 Ų146.585%0.84779%0.792SS**  -174.372.5122.722.40000114.2
941E38.3Very low38.7Very low185 Ų185145.5 Ų145.586%0.86479%0.786SS**  trans59.6-175.5149.1-43.8-163.2138.800117.7
942P34.4Very low38.3Very low121 Ų121148.7 Ų148.779%0.78679%0.79SS**  -118.6141.1-97.331.6-15.3000115.2
943R37.4Very low38.2Very low243 Ų243151.4 Ų151.492%0.91780%0.799SS**  trans-69.7129.6167.6-86-172173.6-170.3-2.3111.8
944A31.3Very low37.7Very low101 Ų101150.5 Ų150.584%0.83579%0.793SS**  trans-75.2156.8144.200000109.8
945S28.6Very low36.9Very low101 Ų101146.4 Ų146.471%0.70679%0.791SS**  trans-151178-170.565.50000112.9
946R32.1Very low36.1Very low233 Ų233148.9 Ų148.988%0.87980%0.798SS**  trans82.5147.2179.2-59.7-170.9166.3169.7-3.5115.4
947V30.9Very low35.5Very low117 Ų117147.8 Ų147.871%0.70980%0.796SS**  cis-149.5150.6-8.5116.90000109.6
948P41.9Very low35.8Very low123 Ų123143.6 Ų143.680%0.79979%0.786SS**  trans-94.7146.8169.636.1-32.1000113.3
949S31.3Very low35.6Very low105 Ų105145.9 Ų145.973%0.73479%0.792SS**  trans-144.3132.9163.256.50000107.8
950S31.7Very low35Very low102 Ų102147 Ų14771%0.71380%0.799SS**  46.8131.199.3-89.40000114.3
951D32Very low35.4Very low136 Ų136152.2 Ų152.273%0.72780%0.803SS**  cis-158-166.63.2-134.1-42.6000112.7
952E34.7Very low35.4Very low173 Ų173154 Ų15481%0.80880%0.802SS**  trans-38132.4172.4-60.5-179.476.600116.3
953E39.1Very low35.4Very low179 Ų179155 Ų15584%0.83681%0.806SS**  -166.4126.2114.2-108.2-158.2103.800114.6
954V38.5Very low35.3Very low120 Ų120153.3 Ų153.373%0.72780%0.8SS**  trans25.2147.2131.9-164.40000121.8
955V38.9Very low35.5Very low124 Ų124156.9 Ų156.975%0.75280%0.801SS**  trans93.5106.5170-169.10000117E957V955-E957 HydrophobicContact CG1-CB 4.38Å
956E39.4Very low35.8Very low193 Ų193157.1 Ų157.190%0.90280%0.803SS**  trans-81121.3148.9-79.8-162.3130.100110.1
957E31.8Very low36.2Very low172 Ų172154.2 Ų154.280%0.80480%0.804SS**  trans-158.3162.6151.9-109.1-125107.600109.3V955V955-E957 HydrophobicContact CG1-CB 4.38Å
958P42.6Very low36.3Very low105 Ų105151.5 Ų151.568%0.68280%0.8SS**  -123.3125.9-119.432-14.9000113.9
959Q30.7Very low36.7Very low196 Ų196152.5 Ų152.592%0.91680%0.804SS**  trans-123.199175.5-72.6-166.7-27.300114.1
960S29.6Very low37.5Very low119 Ų119156.8 Ų156.883%0.83281%0.81SS**  trans-142.780.7139.258.40000112.1R962S960-R962 PolarHBondContact O-N 3.45Å
961R48.2Very low38Very low248 Ų248155.2 Ų155.294%0.93681%0.809SS**  trans-6493.5165.5-79.2-174.7170.9-161.5-0.3110.2
962R38.8Very low38.6Very low223 Ų223157.3 Ų157.384%0.84282%0.819SS**  trans-162.881158.1-116163.5-172.9159.43.4114S960 R964S960-R962 PolarHBondContact O-N 3.45Å; R962-R964 PolarHBondContact O-N 3.22Å
963T34Very low39.9Very low143 Ų143158.5 Ų158.588%0.87782%0.822SS**  trans-69.867.6159.2-48.30000109.7M965T963-M965 PolarHBondContact O-N 3.45Å; T963-M965 VanDerWaalsContact O-N 3.13Å
964R35.9Very low41.2Very low207 Ų207156.3 Ų156.378%0.78182%0.82SS**  trans-72.5107.3-179.5-162.8-178.8-165.6-158.34.1108.3R962 S966R962-R964 PolarHBondContact O-N 3.22Å; R964-S966 PolarHBondContact O-N 3.44Å; R964-S966 PolarHBondContact O-OG 3.19Å
965M35.3Very low42.1Very low175 Ų175154.7 Ų154.786%0.86281%0.808SS**  trans-56107.1-173.6-55.2-147.486.500110.9T963T963-M965 PolarHBondContact O-N 3.45Å; T963-M965 VanDerWaalsContact O-N 3.13Å
966S34.8Very low43.6Very low107 Ų107156.1 Ų156.175%0.74881%0.81SS**  trans-108.889.5-172.5-64.30000108.8R964 G968R964-S966 PolarHBondContact O-N 3.44Å; R964-S966 PolarHBondContact O-OG 3.19Å; S966-G968 PolarHBondContact O-N 3.18Å
967L39.3Very low45Very low171 Ų171152.5 Ų152.590%0.89579%0.792SS**  trans-67.475.9174.3-89.5154.7000110.5T969L967-T969 PolarHBondContact O-N 3.06Å; L967-T969 VanDerWaalsContact O-N 3.07Å
968G34.6Very low46.8Very low61 Ų61150.4 Ų150.463%0.62979%0.793SS**  trans-67.8101.5173.100000110.3S966 K970S966-G968 PolarHBondContact O-N 3.18Å; G968-K970 PolarHBondContact O-N 3.11Å
969T49.4Very low47.9Very low144 Ų144149.6 Ų149.688%0.88380%0.804SS**  trans-6484.2-175.740.70000112.7L967L967-T969 PolarHBondContact O-N 3.06Å; L967-T969 VanDerWaalsContact O-N 3.07Å
970K47.4Very low50Low195 Ų195144 Ų14485%0.84878%0.779SS**  trans-128.670.4-179.5-66.9-173.2-179.8178.60112.3G968G968-K970 PolarHBondContact O-N 3.11Å
971G43.9Very low52.4Low68 Ų68141.2 Ų141.270%0.70176%0.76SS**  trans64.694.4162.200000115.8K973G971-K973 VanDerWaalsContact C-N 3.33Å; G971-K973 PolarHBondContact O-N 3.44Å
972L43.5Very low53.5Low180 Ų180133.6 Ų133.694%0.94274%0.743SS**  trans-63.291.5165.9-73169.4000110.2V974L972-V974 PolarHBondContact O-N 3Å; L972-V974 VanDerWaalsContact O-N 3.08Å
973K62.8Low55Low198 Ų198127.2 Ų127.286%0.86173%0.733SS**  trans-71.299.7166.5-95.9-175.1171.1179.60108.8G971 N975G971-K973 VanDerWaalsContact C-N 3.33Å; G971-K973 PolarHBondContact O-N 3.44Å; K973-N975 PolarHBondContact O-N 2.92Å
974V65.6Low56.9Low133 Ų133122.4 Ų122.481%0.80671%0.707SS**  trans-52.8126.7163.9-178.70000107.9L972 L976L972-V974 PolarHBondContact O-N 3Å; L972-V974 VanDerWaalsContact O-N 3.08Å; V974-L976 PolarHBondContact O-N 2.75Å
975N58.7Low58.6Low86 Ų86115.4 Ų115.446%0.4669%0.685SS.*  trans-67.4122.4174-70.4-52.3000108.1K973 F977 P982K973-N975 PolarHBondContact O-N 2.92Å; N975-F977 PolarHBondContact O-N 3.26Å; N975-P982 WeakPolarHBondContact OD1-CD 3.43Å
976L69.2Low60.5Low155 Ų155113 Ų11381%0.81267%0.67SS**SBendtrans-61.5-13.9-178.1-158.570.7000113.1V974V974-L976 PolarHBondContact O-N 2.75Å
977F69.1Low62.3Low116 Ų116110.7 Ų110.751%0.50966%0.657SS.*SBendtrans-129.2116.9170-57.3-76.3000109N975 G979 L980 L985N975-F977 PolarHBondContact O-N 3.26Å; F977-G979 PolarHBondContact O-N 3.31Å; F977-L980 HydrophobicContact CB-CB 4.22Å; F977-L980 PolarHBondContact O-N 3.17Å; F977-L985 HydrophobicContact CD2-CD1 3.96Å; F977-L985 HydrophobicContact CE2-CD1 4.04Å
978P69.4Low63.6Low129 Ų129109.8 Ų109.884%0.83865%0.646SS**THydrogen-bonded Turntrans-53.8137.6165.7-25.135.3000110.5L980P978-L980 VanDerWaalsContact C-N 3.32Å; P978-L980 PolarHBondContact O-N 2.93Å
979G66.7Low65Low87 Ų87112 Ų11290%0.89764%0.643SS**THydrogen-bonded Turntrans78.8-5.7178.600000117F977F977-G979 PolarHBondContact O-N 3.31Å
980L74.6Confident66Low78 Ų78113 Ų11341%0.40863%0.63SS.*  trans-121.2123176.6-129.285000113.4F977 P978 L985F977-L980 HydrophobicContact CB-CB 4.22Å; F977-L980 PolarHBondContact O-N 3.17Å; P978-L980 VanDerWaalsContact C-N 3.32Å; P978-L980 PolarHBondContact O-N 2.93Å; L980-L985 HydrophobicContact CD2-CB 4.21Å; L980-L985 HydrophobicContact CD2-CD1 4.14Å; L980-L985 HydrophobicContact CD2-CG 3.92Å
981S78.3Confident66.4Low61 Ų61107.5 Ų107.543%0.42762%0.616SS.*  trans-76.2144.3172.975.50000111.3S983 A984 L985S981-S983 PolarHBondContact O-N 3.28Å; S981-S983 VanDerWaalsContact O-N 3.11Å; S981-A984 PolarHBondContact O-N 3.09Å; S981-A984 WeakPolarHBondContact OG-CB 3.4Å; S981-A984 PolarHBondContact OG-N 3Å; S981-L985 PolarHBondContact O-N 3.38Å
982P72.4Confident66.8Low88 Ų88114.7 Ų114.757%0.57162%0.622SS**Hα-helixtrans-56.5-28.2174.6-27.535.6000113.5N975 K986N975-P982 WeakPolarHBondContact OD1-CD 3.43Å; P982-K986 WeakPolarHBondContact O-CB 3.46Å; P982-K986 PolarHBondContact O-N 3.34Å
983S71.1Confident67.2Low90 Ų90112.4 Ų112.463%0.62961%0.611SS**Hα-helixtrans-68.7-42.7175.5-61.20000112.6S981 L985 K986 A987S981-S983 PolarHBondContact O-N 3.28Å; S981-S983 VanDerWaalsContact O-N 3.11Å; S983-L985 VanDerWaalsContact C-N 3.35Å; S983-K986 CarbonylContact O-C 3.4Å; S983-K986 PolarHBondContact O-N 3.17Å; S983-A987 PolarHBondContact O-N 2.95Å
984A72.9Confident66.6Low42 Ų42113.8 Ų113.835%0.34761%0.611SS.*Hα-helixtrans-65-40.7176.700000111.3S981 A987 K988S981-A984 PolarHBondContact O-N 3.09Å; S981-A984 WeakPolarHBondContact OG-CB 3.4Å; S981-A984 PolarHBondContact OG-N 3Å; A984-A987 WeakPolarHBondContact O-CB 3.43Å; A984-A987 PolarHBondContact O-N 3.42Å; A984-A987 VanDerWaalsContact O-N 3.17Å; A984-K988 PolarHBondContact O-N 3.47Å
985L71.7Confident65.6Low60 Ų60112.6 Ų112.631%0.31461%0.608SS.*Hα-helixtrans-61.7-44.9174.8-137.4167.8000110.9F977 L980 S981 S983 A987 K988 L989F977-L985 HydrophobicContact CD2-CD1 3.96Å; F977-L985 HydrophobicContact CE2-CD1 4.04Å; L980-L985 HydrophobicContact CD2-CB 4.21Å; L980-L985 HydrophobicContact CD2-CD1 4.14Å; L980-L985 HydrophobicContact CD2-CG 3.92Å; S981-L985 PolarHBondContact O-N 3.38Å; S983-L985 VanDerWaalsContact C-N 3.35Å; L985-A987 VanDerWaalsContact C-N 3.27Å; L985-A987 PolarHBondContact O-N 3.25Å; L985-K988 PolarHBondContact O-N 3.18Å; L985-L989 HydrophobicContact CD2-CD1 3.78Å; L985-L989 HydrophobicContact CD2-CG 4.19Å; L985-L989 WeakPolarHBondContact O-CG 3.42Å; L985-L989 PolarHBondContact O-N 3.19Å; L985-L989 VanDerWaalsContact O-N 3.09Å
986K76Confident64.8Low124 Ų124113.6 Ų113.654%0.53963%0.628SS.*Hα-helixtrans-70-17.7175.5-160.3169.170.5-179.90114P982 S983 R990P982-K986 WeakPolarHBondContact O-CB 3.46Å; P982-K986 PolarHBondContact O-N 3.34Å; S983-K986 CarbonylContact O-C 3.4Å; S983-K986 PolarHBondContact O-N 3.17Å; K986-R990 WeakPolarHBondContact O-CD 3.38Å; K986-R990 WeakPolarHBondContact O-CG 3.43Å
987A70.9Confident63.5Low58 Ų58115.1 Ų115.148%0.47963%0.631SS.*Hα-helixtrans-78.9-49.8170.100000111.4S983 A984 L985 L989 R990 S991S983-A987 PolarHBondContact O-N 2.95Å; A984-A987 WeakPolarHBondContact O-CB 3.43Å; A984-A987 PolarHBondContact O-N 3.42Å; A984-A987 VanDerWaalsContact O-N 3.17Å; L985-A987 VanDerWaalsContact C-N 3.27Å; L985-A987 PolarHBondContact O-N 3.25Å; A987-L989 VanDerWaalsContact C-N 3.26Å; A987-L989 PolarHBondContact O-N 2.94Å; A987-R990 PolarHBondContact O-N 3.4Å; A987-S991 PolarHBondContact O-N 2.85Å
988K66.6Low62Low153 Ų153119 Ų11967%0.66565%0.651SS**Hα-helixtrans-61-31.8178-68.3-177.970171.30113.1A984 L985 R990 S991A984-K988 PolarHBondContact O-N 3.47Å; L985-K988 PolarHBondContact O-N 3.18Å; K988-R990 VanDerWaalsContact C-N 3.32Å; K988-S991 PolarHBondContact O-OG 3.46Å
989L65.5Low60.3Low107 Ų107116.4 Ų116.456%0.5665%0.647SS**Hα-helixtrans-73.6-19.6173.5-70.2172.2000113.8L985 A987 N993L985-L989 HydrophobicContact CD2-CD1 3.78Å; L985-L989 HydrophobicContact CD2-CG 4.19Å; L985-L989 WeakPolarHBondContact O-CG 3.42Å; L985-L989 PolarHBondContact O-N 3.19Å; L985-L989 VanDerWaalsContact O-N 3.09Å; A987-L989 VanDerWaalsContact C-N 3.26Å; A987-L989 PolarHBondContact O-N 2.94Å; L989-N993 PolarHBondContact O-ND2 3.49Å
990R69.1Low58.4Low166 Ų166121.5 Ų121.563%0.62665%0.648SS**Hα-helixtrans-86.2-39.1176.6-78.3172.6172.1159.6-13.1112.8K986 A987 K988 R992 N993K986-R990 WeakPolarHBondContact O-CD 3.38Å; K986-R990 WeakPolarHBondContact O-CG 3.43Å; A987-R990 PolarHBondContact O-N 3.4Å; K988-R990 VanDerWaalsContact C-N 3.32Å; R990-R992 VanDerWaalsContact C-N 3.3Å; R990-R992 PolarHBondContact O-N 2.82Å; R990-N993 PolarHBondContact O-N 3.26Å; R990-N993 VanDerWaalsContact O-N 3.14Å
991S56.9Low56.5Low78 Ų78124.7 Ų124.755%0.54567%0.67SS.*Hα-helixtrans-62.4-37177.553.50000112.5A987 K988 N993 R994A987-S991 PolarHBondContact O-N 2.85Å; K988-S991 PolarHBondContact O-OG 3.46Å; S991-N993 PolarHBondContact O-N 2.98Å; S991-R994 PolarHBondContact O-N 3.18Å
992R51.7Low54.4Low219 Ų219127.3 Ų127.383%0.82668%0.684SS**THydrogen-bonded Turntrans-60.6-13.7175.4-175.9168170125.2-1.8114.6R990R990-R992 VanDerWaalsContact C-N 3.3Å; R990-R992 PolarHBondContact O-N 2.82Å
993N51.7Low52.5Low133 Ų133130.7 Ų130.771%0.71169%0.692SS**THydrogen-bonded Turntrans-110.517.9-178.5-68.7-73.8000113.6L989 R990 S991L989-N993 PolarHBondContact O-ND2 3.49Å; R990-N993 PolarHBondContact O-N 3.26Å; R990-N993 VanDerWaalsContact O-N 3.14Å; S991-N993 PolarHBondContact O-N 2.98Å
994R51.6Low50.5Low227 Ų227132.7 Ų132.786%0.85771%0.706SS**SBendtrans-140.257.2176.2-74.4-169169.8-165.5-4.8112.2S991S991-R994 PolarHBondContact O-N 3.18Å
995S43.9Very low48.5Very low107 Ų107139.2 Ų139.275%0.74873%0.727SS**SBendtrans-148.234.5178.3-50.10000112.3
996A41.1Very low46.5Very low107 Ų107141.6 Ų141.688%0.88475%0.748SS**SBendtrans-140.112.5-175.700000113.1
997E42.1Very low44.2Very low188 Ų188140.9 Ų140.988%0.87976%0.759SS**SBendtrans-145.1153.1-179.9-169.1170.9166.500108.6
998E38.1Very low42.1Very low198 Ų198146.4 Ų146.493%0.92577%0.774SS**  trans65.495.6-178.6-158.6163.9-134.400115.9
999G33.5Very low40.4Very low73 Ų73148.8 Ų148.875%0.75379%0.785SS**  trans176.1109.4174.100000113.9
1000E26.4Very low38.6Very low195 Ų195151.2 Ų151.291%0.91179%0.794SS**  trans69105.6166.4-158163.6-153.900118.6
1001V35.8Very low36.9Very low144 Ų144149.1 Ų149.187%0.87380%0.804SS**  trans-88.4144.5159.2170.90000109.1
1002T33.3Very low35.5Very low117 Ų117150.6 Ų150.672%0.71881%0.814SS**  trans-80.6141.5-166.449.10000116.6
1003E32.9Very low34.8Very low159 Ų159146.6 Ų146.674%0.74381%0.814SS**  trans63130.8146.3-70.4-169.2-152.900122.3
1004S29.5Very low33.8Very low132 Ų132147.2 Ų147.292%0.92381%0.813SS**  trans-153.9135.3142.6-72.70000111.7
1005K31.2Very low32.8Very low179 Ų179145.9 Ų145.978%0.77881%0.808SS**  trans-86.9156.9-165.1-69.4165.7172.7159.20116.4
1006S29.3Very low32.8Very low110 Ų110145.1 Ų145.177%0.76980%0.802SS**  105.7159.9129.181.40000122.1
1007S26.9Very low32.9Very low108 Ų108149.2 Ų149.276%0.75580%0.8SS**  trans97.756.9150.3-55.30000121.2
1008Q26.7Very low32.3Very low174 Ų174145.9 Ų145.981%0.81380%0.797SS**  10.2119.6125.1179.5-170.9-200119.3
1009K32Very low31.8Very low203 Ų203141.5 Ų141.588%0.88379%0.788SS**  -159.9164.6125.1-149.3151.8-174.5172.40112.6
1010E28.2Very low32Very low159 Ų159146.8 Ų146.874%0.74379%0.79SS**  trans-120.3177.9-160.5-60.5163.189.600115.1
1011S32.3Very low32.6Very low121 Ų121144 Ų14485%0.84679%0.786SS**  trans84138.8169.679.60000115.8
1012S28.4Very low32.8Very low109 Ų109143 Ų14376%0.76278%0.783SS**  cis-137.1178857.40000109.8
1013V35.3Very low32.8Very low135 Ų135141.1 Ų141.182%0.81879%0.786SS**  cis-137.6-176.423.5-170.50000110.6
1014Q31.9Very low33Very low147 Ų147142.5 Ų142.569%0.68780%0.798SS**  trans-89.8178.6174.2-51.6-177.51.900111
1015R31.2Very low33.3Very low199 Ų199139.9 Ų139.975%0.75179%0.792SS**  cis-167.1133.624.6-162.9167.1170.596.9-5.9115.2
1016S43.9Very low34.2Very low91 Ų91141.2 Ų141.264%0.63680%0.797SS**  trans66.7158.4152.9-72.80000121.1
1017K41.3Very low35.2Very low193 Ų193141.8 Ų141.884%0.83980%0.799SS**  cis165.3126.5-36.9-103.7168.4-178.3-179.90109.3
1018S30.1Very low35.8Very low117 Ų117144.8 Ų144.882%0.81881%0.805SS**  trans152.1144.9156.9-178.50000110.6
1019C29Very low36.5Very low107 Ų107143.2 Ų143.272%0.72381%0.808SS**  cis-161.7168.1-28.8-108.40000110.4
1020K36Very low37.2Very low184 Ų184140.6 Ų140.680%0.880%0.803SS**  trans-6.6146.1166.7-81.467.8171.2179.10118.7
1021V39.8Very low38Very low136 Ų136138.4 Ų138.482%0.82480%0.802SS**  -153.615662.9162.80000111.3
1022P39.5Very low38.9Very low124 Ų124138.6 Ų138.681%0.80580%0.8SS**  trans-109.5165.2-167.940.4-32.2000116.4
1023G33.5Very low39.4Very low77 Ų77142.5 Ų142.579%0.79480%0.804SS**  trans-178.7134.5168.800000115.8
1024L37.3Very low40.2Very low187 Ų187142.2 Ų142.298%0.97980%0.804SS**  trans-45.9153.4178.7-9049.3000117.7
1025G35.8Very low40.6Very low78 Ų78143.9 Ų143.980%0.80481%0.812SS**  trans160.790.4158.200000115.7
1026K50.3Low41.5Very low206 Ų206144.4 Ų144.490%0.89682%0.82SS**  trans-70.3147.9-177.1-58.4169.5-176.3175.20112.6
1027P50Low41.2Very low122 Ų122145.5 Ų145.579%0.79283%0.828SS**  trans-75.1171.3172.933.1-36.3000113.3
1028L40.2Very low41.4Very low171 Ų171142.2 Ų142.290%0.89583%0.829SS**  trans-43.2129-175.8-97.863000115.1L1030L1028-L1030 PolarHBondContact O-N 2.97Å
1029T40.8Very low42.2Very low141 Ų141140.4 Ų140.487%0.86583%0.829SS**  trans-78.7114170.8-50.10000110.6
1030L46.6Very low42.6Very low149 Ų149140.7 Ų140.778%0.7883%0.832SS**PPolyproline II helixtrans-71152164.9-68170.7000110.3L1028L1028-L1030 PolarHBondContact O-N 2.97Å
1031P45.3Very low43.3Very low112 Ų112141.7 Ų141.773%0.72784%0.84SS**PPolyproline II helixtrans-59.3138.9172.426-34.3000110.5K1033P1031-K1033 PolarHBondContact O-N 2.86Å
1032P50.6Low43.8Very low125 Ų125139 Ų13981%0.81284%0.84SS**PPolyproline II helixtrans-64.9137.3-17626.1-34000111.2
1033K40.3Very low44.6Very low192 Ų192137.2 Ų137.284%0.83583%0.83SS**PPolyproline II helixtrans-69.4139.8168.3-64.2175.3-178.8175.40108.4P1031 E1035P1031-K1033 PolarHBondContact O-N 2.86Å; K1033-E1035 PolarHBondContact O-N 3.44Å
1034P50.6Low46.2Very low128 Ų128135.5 Ų135.583%0.83181%0.806SS**PPolyproline II helixtrans-61.8133.4170.626.9-33.5000109.7
1035E40.2Very low48.5Very low183 Ų183130 Ų13086%0.85578%0.782SS**PPolyproline II helixtrans-74.5155-179.2-63.3-172.1124.200111.8K1033 S1037K1033-E1035 PolarHBondContact O-N 3.44Å; E1035-S1037 PolarHBondContact O-N 2.81Å
1036K49.8Very low50.3Low209 Ų209132.5 Ų132.591%0.90978%0.777SS**  trans-81.276.2-176.8-64.7-179.7-179.5179.40111.1S1038K1036-S1038 PolarHBondContact O-N 3.15Å; K1036-S1038 VanDerWaalsContact O-N 3.15Å
1037S39Very low52.2Low114 Ų114130.7 Ų130.780%0.79776%0.764SS**  trans-76.594.9170.956.60000111E1035E1035-S1037 PolarHBondContact O-N 2.81Å
1038S44.4Very low53.9Low124 Ų124127.9 Ų127.987%0.86774%0.742SS**  trans-63139.3164.6-66.20000110.6K1036K1036-S1038 PolarHBondContact O-N 3.15Å; K1036-S1038 VanDerWaalsContact O-N 3.15Å
1039G47.2Very low56.1Low80 Ų80123.4 Ų123.483%0.82572%0.717SS**  trans104.957.6167.700000116.9
1040S38.2Very low58.2Low112 Ų112119.1 Ų119.178%0.78370%0.695SS**  trans-144.453.2155.1-153.90000111.7G1042S1040-G1042 PolarHBondContact O-N 3.42Å; S1040-G1042 VanDerWaalsContact O-N 3.14Å
1041E50.7Low59.9Low205 Ų205116.8 Ų116.896%0.95868%0.683SS**THydrogen-bonded Turntrans-76.293.4173.1-174.5167.7-158.600109.2
1042G50.1Low61.7Low80 Ų80117.7 Ų117.783%0.82568%0.676SS**THydrogen-bonded Turntrans174.8-20.2179.600000118S1040S1040-G1042 PolarHBondContact O-N 3.42Å; S1040-G1042 VanDerWaalsContact O-N 3.14Å
1043S56.4Low63Low87 Ų87117.4 Ų117.461%0.60867%0.667SS**  trans-121.8112.2-177.6-166.70000112.7Q1049S1043-Q1049 PolarHBondContact OG-NE2 3.5Å
1044S67.6Low64.6Low41 Ų41115.5 Ų115.529%0.28766%0.658SS.*  trans-65.1142168.160.70000110.1Q1049S1044-Q1049 WeakPolarHBondContact O-CG 3.36Å; S1044-Q1049 PolarHBondContact O-NE2 2.88Å; S1044-Q1049 WeakPolarHBondContact OG-CG 3.36Å
1045P84.3Confident65.8Low72 Ų72117.7 Ų117.747%0.46866%0.655SS.*  trans-49144.7-176.9-3136000114.3W1047 L1048 Q1049P1045-W1047 VanDerWaalsContact C-N 3.29Å; P1045-W1047 HydrophobicContact CB-CG 4.5Å; P1045-W1047 PolarHBondContact O-N 3.14Å; P1045-L1048 WeakPolarHBondContact O-CA 3.46Å; P1045-L1048 VanDerWaalsContact O-CB 3.24Å; P1045-L1048 WeakPolarHBondContact O-CB 3.35Å; P1045-L1048 PolarHBondContact O-N 3.41Å; P1045-Q1049 PolarHBondContact O-N 3.03Å; P1045-Q1049 VanDerWaalsContact O-N 3.07Å
1046N74.8Confident67.2Low130 Ų130117.4 Ų117.470%0.69565%0.651SS**Hα-helixtrans-50.6-45.2-174.9-176.5-47.7000112.8L1048 Q1049 A1050N1046-L1048 VanDerWaalsContact C-N 3.26Å; N1046-L1048 PolarHBondContact O-N 3.32Å; N1046-Q1049 WeakPolarHBondContact O-CA 3.26Å; N1046-Q1049 WeakPolarHBondContact O-CB 3.4Å; N1046-Q1049 PolarHBondContact O-N 3.14Å; N1046-A1050 PolarHBondContact O-N 3Å
1047W88.6Confident67.5Low167 Ų167116.5 Ų116.563%0.63365%0.647SS**Hα-helixtrans-59.1-3517670.4-93.6000113.3P1045 A1050 L1051P1045-W1047 VanDerWaalsContact C-N 3.29Å; P1045-W1047 HydrophobicContact CB-CG 4.5Å; P1045-W1047 PolarHBondContact O-N 3.14Å; W1047-A1050 PolarHBondContact O-N 3.49Å; W1047-L1051 HydrophobicContact CE3-CD1 3.64Å; W1047-L1051 HydrophobicContact CZ3-CD1 3.72Å; W1047-L1051 WeakPolarHBondContact O-CG 3.37Å; W1047-L1051 PolarHBondContact O-N 2.87Å
1048L85.8Confident67.8Low63 Ų63120.6 Ų120.633%0.3366%0.658SS.*Hα-helixtrans-72.4-34.4175.9-152.280.9000111.4P1045 N1046 K1052P1045-L1048 WeakPolarHBondContact O-CA 3.46Å; P1045-L1048 VanDerWaalsContact O-CB 3.24Å; P1045-L1048 WeakPolarHBondContact O-CB 3.35Å; P1045-L1048 PolarHBondContact O-N 3.41Å; N1046-L1048 VanDerWaalsContact C-N 3.26Å; N1046-L1048 PolarHBondContact O-N 3.32Å; L1048-K1052 WeakPolarHBondContact O-CB 3.47Å; L1048-K1052 VanDerWaalsContact O-CG 3.26Å; L1048-K1052 WeakPolarHBondContact O-CG 3.43Å; L1048-K1052 PolarHBondContact O-N 3.22Å
1049Q87.2Confident69Low78 Ų78120.4 Ų120.436%0.36465%0.647SS.*Hα-helixtrans-65.6-46.9171.5-56.8-175.410.100110.7S1043 S1044 P1045 N1046 L1051 K1052 L1053S1043-Q1049 PolarHBondContact OG-NE2 3.5Å; S1044-Q1049 WeakPolarHBondContact O-CG 3.36Å; S1044-Q1049 PolarHBondContact O-NE2 2.88Å; S1044-Q1049 WeakPolarHBondContact OG-CG 3.36Å; P1045-Q1049 PolarHBondContact O-N 3.03Å; P1045-Q1049 VanDerWaalsContact O-N 3.07Å; N1046-Q1049 WeakPolarHBondContact O-CA 3.26Å; N1046-Q1049 WeakPolarHBondContact O-CB 3.4Å; N1046-Q1049 PolarHBondContact O-N 3.14Å; Q1049-L1051 PolarHBondContact O-N 3.02Å; Q1049-K1052 PolarHBondContact O-N 2.86Å; Q1049-K1052 VanDerWaalsContact O-N 3.15Å; Q1049-L1053 WeakPolarHBondContact O-CB 3.4Å; Q1049-L1053 WeakPolarHBondContact O-CG 3.24Å; Q1049-L1053 PolarHBondContact O-N 3.2Å
1050A84.7Confident70.2Confident50 Ų50122.5 Ų122.541%0.41364%0.638SS.*Hα-helixtrans-59.1-42.5176.400000112.4N1046 W1047 L1053 K1054N1046-A1050 PolarHBondContact O-N 3Å; W1047-A1050 PolarHBondContact O-N 3.49Å; A1050-L1053 PolarHBondContact O-N 3.41Å; A1050-K1054 WeakPolarHBondContact O-CB 3.48Å; A1050-K1054 PolarHBondContact O-N 3.07Å
1051L82.3Confident71.9Confident100 Ų100123.1 Ų123.152%0.52463%0.63SS.*Hα-helixtrans-65.8-39.9173.6-72.8178.1000112.8W1047 Q1049 K1054 K1055W1047-L1051 HydrophobicContact CE3-CD1 3.64Å; W1047-L1051 HydrophobicContact CZ3-CD1 3.72Å; W1047-L1051 WeakPolarHBondContact O-CG 3.37Å; W1047-L1051 PolarHBondContact O-N 2.87Å; Q1049-L1051 PolarHBondContact O-N 3.02Å; L1051-K1054 PolarHBondContact O-N 3Å; L1051-K1055 WeakPolarHBondContact O-CB 3.38Å; L1051-K1055 PolarHBondContact O-N 2.96Å
1052K82.9Confident73.2Confident132 Ų132118.3 Ų118.357%0.57461%0.61SS**Hα-helixtrans-67.3-37175.8-74.6171.770176.60112L1048 Q1049 K1055 K1056L1048-K1052 WeakPolarHBondContact O-CB 3.47Å; L1048-K1052 VanDerWaalsContact O-CG 3.26Å; L1048-K1052 WeakPolarHBondContact O-CG 3.43Å; L1048-K1052 PolarHBondContact O-N 3.22Å; Q1049-K1052 PolarHBondContact O-N 2.86Å; Q1049-K1052 VanDerWaalsContact O-N 3.15Å; K1052-K1055 PolarHBondContact O-N 3.11Å; K1052-K1056 WeakPolarHBondContact O-CB 3.36Å; K1052-K1056 PolarHBondContact O-N 3.43Å
1053L78.1Confident74.6Confident119 Ų119120.7 Ų120.762%0.62360%0.597SS**Hα-helixtrans-66.7-43.7172.9-71.7170.7000111.5Q1049 A1050 K1056 K1057Q1049-L1053 WeakPolarHBondContact O-CB 3.4Å; Q1049-L1053 WeakPolarHBondContact O-CG 3.24Å; Q1049-L1053 PolarHBondContact O-N 3.2Å; A1050-L1053 PolarHBondContact O-N 3.41Å; L1053-K1056 CarbonylContact O-C 3.4Å; L1053-K1056 PolarHBondContact O-N 2.95Å; L1053-K1056 VanDerWaalsContact O-N 3.14Å; L1053-K1057 PolarHBondContact O-N 3.06Å
1054K74.3Confident75.8Confident151 Ų151122.9 Ų122.966%0.65760%0.596SS**Hα-helixtrans-62.3-41.6174.2-172.1172-178.71750111.9A1050 L1051 K1056 K1057A1050-K1054 WeakPolarHBondContact O-CB 3.48Å; A1050-K1054 PolarHBondContact O-N 3.07Å; L1051-K1054 PolarHBondContact O-N 3Å; K1054-K1056 VanDerWaalsContact C-N 3.28Å; K1054-K1056 PolarHBondContact O-N 3.15Å; K1054-K1057 PolarHBondContact O-N 3.14Å
1055K74.6Confident76.4Confident174 Ų174128.8 Ų128.876%0.75762%0.618SS**Hα-helixtrans-66.5-26.5174.1-177.5173.2177-179.20113L1051 K1052 K1057L1051-K1055 WeakPolarHBondContact O-CB 3.38Å; L1051-K1055 PolarHBondContact O-N 2.96Å; K1052-K1055 PolarHBondContact O-N 3.11Å; K1055-K1057 VanDerWaalsContact C-N 3.3Å
1056K69.4Low75.8Confident177 Ų177133.2 Ų133.277%0.7763%0.63SS**THydrogen-bonded Turntrans-91.817.2175.8-146.2-158.173.9163.80113.5K1052 L1053 K1054K1052-K1056 WeakPolarHBondContact O-CB 3.36Å; K1052-K1056 PolarHBondContact O-N 3.43Å; L1053-K1056 CarbonylContact O-C 3.4Å; L1053-K1056 PolarHBondContact O-N 2.95Å; L1053-K1056 VanDerWaalsContact O-N 3.14Å; K1054-K1056 VanDerWaalsContact C-N 3.28Å; K1054-K1056 PolarHBondContact O-N 3.15Å
1057K56.7Low75.9Confident190 Ų190133.4 Ų133.483%0.82663%0.625SS**THydrogen-bonded Turntrans-133.330.9176.7-152.2-173.9-178.6-173.30111.4L1053 K1054 K1055L1053-K1057 PolarHBondContact O-N 3.06Å; K1054-K1057 PolarHBondContact O-N 3.14Å; K1055-K1057 VanDerWaalsContact C-N 3.3Å
1058I46.4Very low74.8Confident200 Ų200130.4 Ų130.4100%1.02662%0.624SS**  trans-132.70169.9-57.3173000105

Retrieved 1,058 of 1,058 residues in 117.5 ms (Link to these results)