A0A5K4F1B8_SCHMA Loading...

SAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F1B8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,585 aa.

>A0A5K4F1B8_SCHMA|A0A5K4F1B8
MDEMNSCVFTRSVDRSEDDSPPVCLVELINSKTKVVTSADDKSDGLSNTVSSEDPLPRSIDLDNTHLPTMKEPSSLTSNHHANRDDNESLTGENYLQSKAKISTCDLEAEDEDDVDLEDRPLTVDTQESDEALLNESSKKTIPSTNNSVCTISNSVAEDKQDPTSSVTTASKTSFVVINNTPSAVVCLSSSLSSCQSTLSLQNCQSTSVPNKNCSSDGHHTSAPVALATVAPIRMSSVGPDYSLSNEILRPIKPASQDTQTNTVMSNHATPQTVTSIFPSKHEAVSTTSTVSYNPKSSQSSTNERFGFPAISITKPASIGTTSVTISIAPTISSSVITTHSMPSIFNVRTRPTVAQSVLPVLSVGPQPAPPLNTQTSLSSLQSQSTVQFMPLVGNMPVTMPVPATSTGLRNVINHNQAIPIAGAPTAPCPPLQIFNMTPMPQFMGTPSYVLHPTGPVAGANSFQFPQGSTHLLPGLSGSAGVGGTTFNFLQPQNYPSTIFPQPPTIPDLLIDPQNPMGLGHSVLTPPASIALISAINNPSSSSFTSIYPTLLHQPNQNFFPTSSTHSGPVSYPYSTALAAGTHLVNATAPQMATSLVPAAVTNLPNMHNSNETSFMFQSGPPHGTSFISSNFAPNPGQLFPPCQFPTFPNLFQTNDNCLTNTFISSSLPTDLTSTCDTKSSLNMNGSNLGGNGGTCLSTYWPYVSSNDLINPTSIVQATNSTHQTDFLQSVNNNNNNLNDRSKMNDVNTDNSGILNVENINDGTTTTTTITINPLTHAPINSSINSTLTTINTATTTNITSALDNGSHNKNNIPLNSSTVVLPAIRRRRRLFAQNGIKPITNVIQSPFLNHTNSMNDESNNSTVMNSTGDDTNNPTVSDSLLCANVNNSNDNDDNNNDNSVDNDANGINNSNRDSLTTCDNELKQSDTIQSPDKLTPSTKSSASTIPTFRSNTLPQSVEDVQLCNQISTDIEFTSKLSKEIQQKDSVEYDDITKLPSSSSSSSCSTFISSSVMVTTIVTTQLIPTMSTITMTSNTTITPSQMITTSFATSPDATKIHDLNHNADSSVSSTSLPFSPSNADNSSKTVYKNSDLLQNESKMVSVGKSDDKEAAKNIVNNQMKSPVSSTLLVNNDSNNTSDQKDSINENYSKLLSTVCVSSSGSNNSIDASSTTYSKLKSTITPFEFPPPPVLIGPDDRRILTHYIDGHIIYESDKPFPVKNGMIVVETALMKQQSCLVSSTNSPLKTFLINGYEDGVMSTVKSPTAPSFSSLKTTAVKPVDNHESEALIATPSRLPIQDVGGCGSGWINPLKASNSSSLSIVDKHTNHPGSIATSNSPAMLLHYETRRRKPSNEQQLYNDIHDENDSSPSTSNHYHQPTQGILASYPHSTILSLANRNSASVVYTQSPIVSIPSRNDRQSSSDMKGGNELTVMDGKSIESYSHHSQYQHTESSTSLSKPLNEIQSSSGIMMGLTSTAFNQSTCQQRLPSIAQAMYGISQTITPSFGLLTPNPPPKGPIYKWTPDDVVAFVRGTPGCGAYASAFLNNEIDGEALLLLAEDQFIQPPIGMKIGPALKLVARLESLKNCC
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.1Very low30.2Very low218 Ų218161.7 Ų161.7100%1.07483%0.834SS**  074.50-61170.7-174.500105.6
2D28.1Very low30.1Very low153 Ų153155.9 Ų155.982%0.81882%0.818SS**  cis71.9123.449.5-36.1-28.1000108.9
3E31.5Very low30.5Very low166 Ų166154.8 Ų154.878%0.77682%0.821SS**  cis-156.5127.28.7-177.1171.2-150.800111.2
4M29Very low30.3Very low195 Ų195154.1 Ų154.196%0.96182%0.818SS**  trans-159.669.9160.8-135.989.9-156.600112.8
5N34.5Very low30.4Very low146 Ų146159.2 Ų159.278%0.78182%0.821SS**  trans-75.4156.4158.1-85.9-49.8000109
6S32Very low30.5Very low102 Ų102155.7 Ų155.771%0.71382%0.815SS**  cis-169.2164.6-14-159.20000104.7
7C26.2Very low30.6Very low96 Ų96157.8 Ų157.865%0.64982%0.819SS**  cis-160.6133.719.1-174.50000109.5
8V28.7Very low30.8Very low141 Ų141158.4 Ų158.486%0.85582%0.824SS**  trans-138.3137.1159179.40000108.1T10V8-T10 PolarHBondContact O-N 2.67Å
9F28.4Very low30.8Very low196 Ų196157.7 Ų157.786%0.8682%0.822SS**  trans-65.5124.5-176.9-89.8-112.5000112.5
10T29Very low30.8Very low129 Ų129155 Ų15579%0.79182%0.817SS**  trans-90.2145.1153.649.30000109.6V8V8-T10 PolarHBondContact O-N 2.67Å
11R31.5Very low30.8Very low237 Ų237152.5 Ų152.589%0.89481%0.809SS**  trans-127.5112.2162-171.3176.5-175.4-170.5-1.2108.1
12S29.8Very low30.7Very low92 Ų92148.3 Ų148.364%0.64380%0.798SS**  trans-63.8148.5-173.8-43.10000112.9
13V34.4Very low30.8Very low142 Ų142146.8 Ų146.886%0.86179%0.794SS**  trans-126.3102.7147.1178.20000106.2
14D28.4Very low30.5Very low144 Ų144143.6 Ų143.677%0.7779%0.79SS**  trans-66135172.5-73.2-74000110.8
15R31.3Very low30.6Very low231 Ų231141.3 Ų141.387%0.87278%0.78SS**  trans-153.492.5146-123.3174.6-173.71702.5112.2
16S31.8Very low30.2Very low103 Ų103141 Ų14172%0.7278%0.784SS**  trans28.2103141.557.70000116.5
17E32.6Very low30Very low191 Ų191143.9 Ų143.989%0.89379%0.786SS**  trans-61.2133160.7-64.9150.9130.700109.7
18D33.4Very low30Very low170 Ų170145.6 Ų145.691%0.90979%0.788SS**  trans-124.1105.4160.1-142.8-14000104.4
19D31.9Very low30Very low145 Ų145145.9 Ų145.978%0.77578%0.783SS**  trans-93.6115.2-157.7-168.25.1000111.8
20S30.3Very low30.1Very low103 Ų103143.7 Ų143.772%0.7278%0.78SS**  trans-155.7136.6167.6-80.60000110.3
21P31.6Very low30.1Very low102 Ų102141.6 Ų141.666%0.66277%0.771SS**  trans-82.8136.5-153.230-36.7000114.1V23P21-V23 VanDerWaalsContact C-N 3.32Å; P21-V23 HydrophobicContact CG-CG2 4.48Å; P21-V23 PolarHBondContact O-N 3.22Å
22P30.4Very low30.2Very low130 Ų130138.1 Ų138.184%0.84476%0.762SS**  trans-77.281.1168.732.7-33.9000110.5C24P22-C24 PolarHBondContact O-N 2.61Å; P22-C24 VanDerWaalsContact O-N 3.11Å
23V29.9Very low30.3Very low121 Ų121138.6 Ų138.673%0.73376%0.761SS**  trans-70.4106.2169.4177.20000109.3P21P21-V23 VanDerWaalsContact C-N 3.32Å; P21-V23 HydrophobicContact CG-CG2 4.48Å; P21-V23 PolarHBondContact O-N 3.22Å
24C25.6Very low30.2Very low100 Ų100136.1 Ų136.168%0.67674%0.739SS**  trans36.1125.4147.5-53.70000118.8P22P22-C24 PolarHBondContact O-N 2.61Å; P22-C24 VanDerWaalsContact O-N 3.11Å
25L31.4Very low30.4Very low146 Ų146133.2 Ų133.276%0.76473%0.727SS**  -166.6146.579.5-117.6112.8000112.7E27L25-E27 HydrophobicContact CD2-CB 4.06Å
26V26.1Very low30.4Very low141 Ų141125.8 Ų125.886%0.85571%0.707SS**  trans-107.9116.2151.5170.60000105.6
27E28.1Very low30.5Very low162 Ų162125.7 Ų125.776%0.75770%0.702SS**  trans-154.4171.8150.9-123.3-168.1152.300113.9L25L25-E27 HydrophobicContact CD2-CB 4.06Å
28L26.5Very low30.5Very low131 Ų131121.4 Ų121.469%0.68669%0.693SS**  trans-68.4163.3-166-81.868.3000115
29I27.5Very low30.6Very low148 Ų148117.7 Ų117.776%0.75969%0.686SS**  trans70.3129153.3-67.5151.8000114.7
30N30.4Very low30.7Very low149 Ų149117.5 Ų117.580%0.79769%0.685SS**  cis-145.4-179.515.3-145.6-23.7000112.9
31S29Very low30.7Very low86 Ų86120.5 Ų120.560%0.60169%0.693SS**  trans-119.3166.9176.567.90000113.2
32K33.5Very low30.8Very low164 Ų164123.9 Ų123.971%0.71370%0.697SS**  trans86117.3163.6-61.6173.7-177.7174.70120.1V177K32-V177 WeakPolarHBondContact O-CG2 3.21Å
33T33.1Very low31Very low101 Ų101122.4 Ų122.462%0.6269%0.69SS**  -7.8137.8128.5470000119.5
34K30.7Very low31.1Very low90 Ų90124.4 Ų124.439%0.39170%0.696SS.*  trans59.5129138.1-62-178.5151.6-112.70117S174 F175 V176K34-S174 WeakPolarHBondContact CD-O 3.5Å; K34-S174 WeakPolarHBondContact CE-O 3.24Å; K34-S174 VanDerWaalsContact CG-O 3.3Å; K34-S174 WeakPolarHBondContact CG-O 3.19Å; K34-S174 PolarHBondContact NZ-O 2.92Å; K34-F175 HydrophobicContact CB-CD1 4.45Å; K34-F175 HydrophobicContact CD-CD1 4.39Å; K34-F175 HydrophobicContact CD-CE1 4.39Å; K34-F175 HydrophobicContact CD-CG 4.47Å; K34-F175 HydrophobicContact CD-CZ 4.49Å; K34-F175 HydrophobicContact CG-CB 4.42Å; K34-F175 HydrophobicContact CG-CD1 3.39Å; K34-F175 HydrophobicContact CG-CD2 4.33Å; K34-F175 HydrophobicContact CG-CE1 3.62Å; K34-F175 HydrophobicContact CG-CG 3.76Å; K34-F175 HydrophobicContact CG-CZ 4.2Å; K34-V176 CarbonylContact C-O 3.09Å; K34-V176 VanDerWaalsContact C-O 3.3Å; K34-V176 WeakPolarHBondContact CA-O 3.48Å
35V33Very low31.5Very low84 Ų84122.8 Ų122.851%0.50970%0.697SS.*  cis-162.6160.948.1172.70000109.9V176V35-V176 PolarHBondContact N-O 3.23Å; V35-V176 VanDerWaalsContact N-O 3.12Å
36V32.4Very low31.6Very low75 Ų75124.3 Ų124.346%0.45571%0.705SS.*  trans-119.1138.6165113.40000113.5V176V36-V176 HydrophobicContact CB-CB 3.6Å; V36-V176 HydrophobicContact CB-CG1 4.27Å; V36-V176 HydrophobicContact CB-CG2 3.49Å; V36-V176 VanDerWaalsContact CB-CG2 3.49Å; V36-V176 HydrophobicContact CG1-CG2 4.21Å; V36-V176 HydrophobicContact CG2-CB 3.74Å; V36-V176 HydrophobicContact CG2-CG1 3.83Å; V36-V176 HydrophobicContact CG2-CG2 3.65Å
37T33.5Very low31.7Very low101 Ų101122.3 Ų122.362%0.6270%0.697SS**  168.8114.6125.339.60000106.2
38S31.8Very low31.8Very low100 Ų100121.2 Ų121.270%0.69970%0.696SS**  cis89.6141.945.773.60000113.5
39A35.6Very low32.1Very low92 Ų92119.9 Ų119.976%0.7669%0.694SS**  trans77.4144.5-166.100000113.8
40D33.5Very low32.3Very low142 Ų142119.7 Ų119.776%0.75970%0.699SS**  cis-110.7147.11.8-78.5-67.7000113.4
41D30.3Very low32.4Very low165 Ų165116.6 Ų116.688%0.88269%0.689SS**  trans-144.6132.4150-121.2-27.8000105.7
42K34.9Very low32.7Very low173 Ų173117.4 Ų117.475%0.75269%0.694SS**  trans-157.2144.9-166.8-151.2173.9-171.4174.10110.8
43S33.8Very low32.8Very low100 Ų100117.7 Ų117.770%0.69970%0.699SS**  trans61.2140.5-178.136.30000115.4
44D32.5Very low32.9Very low163 Ų163120.1 Ų120.187%0.87271%0.708SS**  cis-159.3163.4-7.7-104.6-27.9000111.9
45G33.9Very low33.7Very low66 Ų66120.6 Ų120.668%0.6872%0.72SS**  trans89.4138.1161.300000116.4
46L33.2Very low33.5Very low178 Ų178124.3 Ų124.393%0.93274%0.736SS**  cis-141135-6.8-77.7168.5000109.5
47S28.8Very low33.8Very low98 Ų98125.7 Ų125.769%0.68575%0.746SS**  trans-85.7179.5158.9610000110.6
48N29.7Very low33.5Very low139 Ų139132.1 Ų132.174%0.74376%0.759SS**  trans110.1146.2165-591.9000114.2
49T32.7Very low33.3Very low104 Ų104132.2 Ų132.264%0.63876%0.76SS**  cis-155.9146.84.5-4.30000113.8S51T49-S51 WeakPolarHBondContact CG2-OG 3Å
50V32.4Very low33.1Very low144 Ų144135.1 Ų135.187%0.87376%0.761SS**  trans-150.699140.3177.90000103.2
51S32.9Very low32.7Very low84 Ų84134.9 Ų134.959%0.58776%0.76SS**  59.3118.550.6-57.40000113T49T49-S51 WeakPolarHBondContact CG2-OG 3Å
52S34.8Very low32.7Very low102 Ų102133.8 Ų133.871%0.71375%0.753SS**  cis-158.8-164.8-1.231.10000107.9
53E34.8Very low32.5Very low171 Ų171131.4 Ų131.480%0.79975%0.749SS**  cis-153.9143.120.2-65.9168.4-160.100111.4
54D36.9Very low32.5Very low151 Ų151133 Ų13381%0.80775%0.749SS**  29161.4128.9-64.411.7000123.7
55P46Very low32.7Very low100 Ų100130.6 Ų130.665%0.64974%0.741SS**  -145.2153.2-53.140.9-23.5000116.3
56L29.7Very low32.8Very low163 Ų163135.4 Ų135.485%0.85375%0.745SS**  trans64.4169.2153.3-64166.1000119.3
57P38.5Very low32.8Very low103 Ų103133.3 Ų133.367%0.66973%0.734SS**  cis-136.1159-44.837.6-22.3000115.7
58R26.9Very low33.4Very low237 Ų237133.6 Ų133.689%0.89473%0.734SS**  trans63.8145163.5-65.8-172.1-178.6-176.72.2120.1
59S27.7Very low33.6Very low101 Ų101132.7 Ų132.771%0.70673%0.733SS**  trans102.8134.3148.8-40.80000117.7
60I32.3Very low33.4Very low153 Ų153136.8 Ų136.879%0.78575%0.748SS**  trans45.5101.6136.5-55.5165.8000115.4
61D25Very low33.3Very low138 Ų138138.9 Ų138.974%0.73875%0.745SS**  74.9138.754.7-160.516.1000113.6
62L29.1Very low33.2Very low141 Ų141142.6 Ų142.674%0.73875%0.753SS**  trans67.9153.8-175.7-56.3155.8000114.9
63D32.1Very low33.4Very low124 Ų124143.3 Ų143.366%0.66376%0.755SS**  cis-156.7173.412.1-144.7-25.6000113.9
64N32.8Very low33.2Very low132 Ų132139.9 Ų139.971%0.70675%0.75SS**  trans77.2137.7169-52.5-66.1000118.5
65T36.8Very low32.8Very low114 Ų114137.2 Ų137.270%0.69974%0.743SS**  cis-165.6139.9-7.416.80000111.3
66H37Very low32.1Very low166 Ų166140.1 Ų140.177%0.76975%0.752SS**  trans60.7145.8157-88.9-132.7000119.3
67L32.9Very low32.2Very low134 Ų134138.1 Ų138.170%0.70275%0.747SS**  cis-156-167.4-14.9-152.667.9000108.6
68P41.2Very low31.8Very low105 Ų105138.5 Ų138.568%0.68275%0.753SS**  -98.6-179.3-123.341.9-23.4000114.7
69T32.6Very low32.2Very low119 Ų119134.7 Ų134.773%0.7375%0.75SS**  cis-145.1128.724.147.60000115.3
70M29.3Very low32.6Very low191 Ų191138.2 Ų138.294%0.94176%0.755SS**  trans46.7131.6140.1-47.7-162.482.200123.3
71K31Very low32.6Very low188 Ų188139.9 Ų139.982%0.81776%0.759SS**  trans-157.5145.8161.3-151.4-171.5180-1660111.8
72E30Very low33Very low162 Ų162137.2 Ų137.276%0.75776%0.756SS**  trans60.3173.3178.1-51.9-165.6176.300115.1
73P38.1Very low33.2Very low117 Ų117137.7 Ų137.776%0.7676%0.759SS**  cis-84.5-156.720.841.1-43.2000113.9
74S31.5Very low33.3Very low99 Ų99141.1 Ų141.169%0.69276%0.763SS**  cis-154.3172.49.977.70000110.9
75S28.8Very low33.4Very low94 Ų94139.9 Ų139.966%0.65776%0.756SS**  cis74.1145.814.581.90000116.9
76L31Very low33.2Very low161 Ų161141 Ų14184%0.84376%0.758SS**  cis-153.5-165.4-13-128.1171000109.6
77T31.4Very low33Very low122 Ų122140.4 Ų140.475%0.74876%0.76SS**  trans-88.5146.3-167.645.90000117.5
78S31.2Very low33.1Very low111 Ų111142.6 Ų142.678%0.77677%0.767SS**  trans57.7110.6152.3-175.30000120
79N35.1Very low32.7Very low156 Ų156142.7 Ų142.783%0.83477%0.77SS**  trans-157.3172.4154.9-115.9-48.4000114.9
80H35.9Very low32.7Very low175 Ų175144.3 Ų144.381%0.8177%0.774SS**  trans-61.3160.4-162.3-81.8-100.9000119.9
81H32.1Very low32.7Very low188 Ų188141.4 Ų141.487%0.8777%0.767SS**  trans-49.3147.2162.5-69.5-71.8000114.3
82A33Very low32.5Very low82 Ų82136 Ų13668%0.67876%0.764SS**  165.9136.988.700000113.7
83N33.2Very low32.5Very low151 Ų151136.3 Ų136.381%0.80777%0.766SS**  trans63.7147.2161.9-72.4-25.6000117.5
84R34.1Very low32.2Very low197 Ų197136.4 Ų136.474%0.74376%0.76SS**  cis-155.5154.98.1-128.9-175.9141.51226.1110.4
85D35Very low32.1Very low105 Ų105141.7 Ų141.756%0.56177%0.766SS**  trans44.4126.2146.3-52.6-7.6000119.1
86D32.6Very low32Very low138 Ų138144 Ų14474%0.73877%0.771SS**  cis-149.8135.28.4-78.3-51.4000112.5
87N32.8Very low32Very low153 Ų153143.2 Ų143.282%0.81876%0.762SS**SBend179.8140.5122-98.6-35.6000112.4
88E34.8Very low31.8Very low180 Ų180141.1 Ų141.184%0.84175%0.753SS**  trans43.792.6166.3-57-167.5120.300117.5
89S33.5Very low31.6Very low107 Ų107145.3 Ų145.375%0.74876%0.757SS**  71.9124.257.1-164.90000114.1
90L33.3Very low31.4Very low153 Ų153141.5 Ų141.580%0.80175%0.747SS**  cis-161.2155.3-18.6-123.5161.5000108.7
91T27.9Very low31.1Very low130 Ų130142 Ų14280%0.79875%0.747SS**  trans-76.1139171.3470000111.5
92G27Very low31.3Very low74 Ų74140.2 Ų140.276%0.76374%0.742SS**  trans-73.8-171-166.500000118.2
93E31.4Very low31.1Very low170 Ų170140.6 Ų140.679%0.79474%0.74SS**  trans-160.7156.2162.6-110-168.9-163.200111.3
94N31.6Very low30.9Very low118 Ų118138.4 Ų138.463%0.63173%0.732SS**  trans34.1115.5143.8-55-35.8000118.4
95Y27.9Very low30.8Very low210 Ų210133.9 Ų133.982%0.82473%0.73SS**  -164.1143.355.1-107.2-92.8000107.1
96L27.9Very low30.5Very low144 Ų144134.9 Ų134.975%0.75474%0.735SS**  cis55143.647.6-99.8174.9000116.1
97Q31Very low30.8Very low143 Ų143135.7 Ų135.767%0.66874%0.738SS**  trans55.1101.1-173.8-101.352.57200114.9
98S26Very low30.5Very low78 Ų78137.4 Ų137.455%0.54574%0.742SS.*  cis61.1129.747.9101.90000114.3
99K28.7Very low30.6Very low199 Ų199133.1 Ų133.187%0.86574%0.737SS**  trans69.4143.4170.5-67178.5178.1173.40115.2
100A30.1Very low30.5Very low76 Ų76136 Ų13663%0.62874%0.738SS**  cis-168.1-176.3-14.300000108.7
101K28.5Very low30.6Very low187 Ų187135.6 Ų135.681%0.81374%0.737SS**  trans46.9118.8140.5-80179.8177.8-167.40116.6
102I37.3Very low31Very low149 Ų149137.8 Ų137.876%0.76474%0.738SS**  -151.9135.153.3-102.2123.3000108.7
103S28.6Very low31.5Very low91 Ų91140.9 Ų140.964%0.63674%0.737SS**  75.9142.857.8164.80000111.6
104T28.4Very low31.8Very low105 Ų105139.5 Ų139.564%0.64474%0.735SS**  cis-156.2-169.1-19.1-770000104.7
105C32.9Very low32.3Very low102 Ų102139 Ų13969%0.68974%0.737SS**  trans88.6143.1155.4-52.60000116.5
106D29.3Very low32.7Very low126 Ų126135.8 Ų135.867%0.67473%0.734SS**  cis-169.5-178-26.4-100-28.2000106.3
107L37.6Very low33.3Very low154 Ų154135.1 Ų135.181%0.80673%0.73SS**  trans77.3128.5171-43.6-179.6000113.2
108E26.2Very low33.5Very low190 Ų190136.2 Ų136.289%0.88874%0.735SS**  cis63.268.720-53.4-172.5164.500114.4
109A38.2Very low34.1Very low89 Ų89139 Ų13974%0.73674%0.744SS**  trans-152116.714700000105
110E30.8Very low34.3Very low168 Ų168140.2 Ų140.279%0.78574%0.743SS**  73.8138.357.3-58.6-67.310200112.8
111D36.3Very low35Very low144 Ų144141.3 Ų141.377%0.7774%0.744SS**  trans62.6120174.7-48.2-37.8000116.8
112E35.5Very low35.2Very low177 Ų177139.7 Ų139.783%0.82774%0.743SS**  80.6167.453.7-72-74.5-167.900114.2
113D38.2Very low35Very low139 Ų139138 Ų13874%0.74374%0.74SS**  trans72.795.8175.8-66.5-14.8000118.4
114D36.1Very low35.4Very low141 Ų141139.5 Ų139.575%0.75475%0.745SS**  94141115.3-102.8-8.4000123.9
115V41.9Very low35.6Very low108 Ų108140.6 Ų140.666%0.65575%0.747SS**  trans55110.2149.3-56.20000123.5
116D36.4Very low35.8Very low142 Ų142141.2 Ų141.276%0.75975%0.748SS**  81.7148.4114.3-74.4-19000125.3
117L41.4Very low35.9Very low130 Ų130142.9 Ų142.968%0.68175%0.751SS**  trans60.7100.1145.7-90.774.8000121.2
118E35.4Very low35.6Very low166 Ų166142.6 Ų142.678%0.77675%0.746SS**  84.7169.3113-81.7-175.6178.200121.8
119D39.2Very low36Very low135 Ų135137 Ų13772%0.72273%0.728SS**  trans64.894.1169.9-79-25.5000122.1
120R32.2Very low35.7Very low226 Ų226139.9 Ų139.985%0.85373%0.731SS**  22.5164.695-87.5-176.9160.7-156.2-3.2119
121P43.8Very low35.7Very low99 Ų99140.2 Ų140.264%0.64373%0.732SS**  cis-132.3-138.2-2337.5-19000111.2
122L34.1Very low35.4Very low152 Ų152136.8 Ų136.880%0.79672%0.724SS**  trans92.1127.5164.6-56.4178.4000116.8
123T33Very low35.1Very low115 Ų115135.9 Ų135.971%0.70672%0.724SS**  cis-164.1171.4-18.9-25.20000109.9
124V36.6Very low34.7Very low122 Ų122136.3 Ų136.374%0.73973%0.725SS**  trans73.3133.8156.7173.80000117.4
125D33.2Very low34.4Very low127 Ų127136.3 Ų136.368%0.67973%0.725SS**  cis-169.2158.5-27.2-101.5-36.4000111.3
126T35.7Very low33.8Very low116 Ų116138.8 Ų138.871%0.71273%0.73SS**  trans60133.9156.949.80000120.1
127Q32.1Very low33.4Very low160 Ų160136.7 Ų136.775%0.74873%0.727SS**  69.7138.360.4-74.4176.9-104.900113.7
128E31.3Very low32.8Very low149 Ų149135.5 Ų135.570%0.69673%0.729SS**  cis-159.8178.15.2-138.2-178.310400114.4
129S34.6Very low32.7Very low72 Ų72136.8 Ų136.850%0.50373%0.732SS.*  trans2.5157.3149.453.50000122.3
130D32.1Very low32.2Very low149 Ų149139.1 Ų139.180%0.79774%0.736SS**  cis-165.7161.4-13.6-104.3-31.5000112.5
131E30.5Very low31.8Very low175 Ų175132.7 Ų132.782%0.81872%0.722SS**  trans62151.7149.9-84.6-64.3161.200125.5
132A29.1Very low31.8Very low72 Ų72135.1 Ų135.160%0.59573%0.728SS**  trans70.393.4152.500000123.5
133L29.5Very low32Very low158 Ų158133.2 Ų133.283%0.82773%0.725SS**  83122.6127.1-64.6174.9000123.3
134L31.5Very low31.8Very low148 Ų148132.2 Ų132.278%0.77572%0.722SS**  trans81.982.5137.2-66170.5000122.1
135N28.7Very low31.7Very low141 Ų141132 Ų13275%0.75472%0.721SS**  96.2151.7107.2-150.127.8000120.6
136E28.6Very low31.7Very low160 Ų160132.6 Ų132.675%0.74872%0.724SS**  trans67.682164.3-63.3-107.7105.700119.8
137S28.5Very low31.6Very low99 Ų99133.8 Ų133.869%0.69273%0.726SS**  108.3138.6103.3-161.70000120.7
138S29.7Very low31.8Very low105 Ų105130.3 Ų130.373%0.73472%0.72SS**  trans91.9121.2148.7-69.20000122.4
139K31.8Very low31.9Very low192 Ų192129.3 Ų129.384%0.83572%0.724SS**  trans85102.7145.8-82.1-179178.2172.60121.6
140K28.9Very low31.6Very low185 Ų185131 Ų13180%0.80474%0.735SS**  76.6119.9114.8-100.1-152.4162-164.30121.2
141T25.5Very low31.4Very low91 Ų91129.6 Ų129.656%0.55873%0.731SS**  88.3107.5121.3-640000120.1
142I42.5Very low31.5Very low149 Ų149128.5 Ų128.576%0.76473%0.729SS**  27.8123.3124.5-40.6164.1000117.9
143P38.8Very low31.5Very low113 Ų113130.6 Ų130.673%0.73474%0.74SS**  trans-125.4163.1137.636.6-26.1000111.4
144S27.9Very low31.6Very low93 Ų93130.3 Ų130.365%0.6574%0.739SS**  cis-173.2150.2-24.449.50000106.8
145T34.7Very low31.3Very low117 Ų117128.1 Ų128.172%0.71874%0.736SS**  171.3143.693.438.50000105.5
146N32.9Very low31.2Very low140 Ų140128 Ų12875%0.74974%0.74SS**  cis-148.4-170.1-3.8-99.6-10.9000106.9
147N34.1Very low31.1Very low141 Ų141123.4 Ų123.475%0.75473%0.729SS**  cis-153.3-171.619.6-156.614.9000112.9
148S36.1Very low31.1Very low87 Ų87127 Ų12761%0.60874%0.735SS**  trans-77.4172.5171.558.10000113.4
149V33.2Very low31.1Very low129 Ų129127.1 Ų127.178%0.78273%0.728SS**  cis-138.9161.424.7-177.50000112.7
150C28.6Very low31.1Very low108 Ų108125 Ų12573%0.7372%0.719SS**  trans-69.3-174.9178.1-44.60000113.8
151T29.1Very low31.4Very low119 Ų119123.8 Ų123.873%0.7372%0.716SS**  cis-169.5168.530.2-18.50000113.8
152I31.7Very low31.4Very low151 Ų151126.7 Ų126.777%0.77473%0.728SS**  trans93.5128.7145.2-77.2158.3000121.8
153S29.5Very low31.2Very low116 Ų116124.2 Ų124.281%0.81172%0.722SS**  trans85.6129.2154.7-79.50000123.2
154N31Very low30.7Very low153 Ų153124.6 Ų124.682%0.81872%0.722SS**  trans-109.5145.3171.8-68.7-41.8000110.6
155S25.7Very low31Very low101 Ų101125 Ų12571%0.70673%0.725SS**  trans29.8160.8133.875.50000123.9
156V25.9Very low30.9Very low138 Ų138124.5 Ų124.584%0.83673%0.726SS**  trans80.5140.5162.4176.30000112.4
157A27.3Very low30.8Very low64 Ų64124 Ų12453%0.52973%0.728SS.*  cis-149.1166.31800000114.2
158E28.5Very low30.4Very low174 Ų174122.7 Ų122.781%0.81373%0.725SS**  trans58153.3132.2-69.2160.2-163.300120.9
159D30.2Very low30.2Very low108 Ų108125.1 Ų125.158%0.57874%0.736SS**  cis-156.3167.81.3-141.9-18.2000114.9
160K32.1Very low30.1Very low148 Ų148123.5 Ų123.564%0.64374%0.736SS**  trans59.2127.7146.4-83.5154.5-168.7138.20124.8
161Q33.8Very low30Very low160 Ų160122.7 Ų122.775%0.74873%0.732SS**  87.893.5129.3-73.4165.2-37.500121.6
162D26.1Very low30.2Very low151 Ų151126.2 Ų126.281%0.80774%0.737SS**  36.2156.699.5-82.9-30.6000121.4
163P37.3Very low30.1Very low98 Ų98122.3 Ų122.364%0.63672%0.72SS**  cis-141.5-172.5-1027.2-1.9000115.8
164T28.8Very low29.8Very low121 Ų121119.9 Ų119.974%0.74270%0.703SS**  trans104.6137.3146.174.90000122.2
165S33.8Very low29.6Very low101 Ų101117.8 Ų117.871%0.70669%0.687SS**  trans87.7149.5142.4830000121.2
166S33.6Very low29.7Very low107 Ų107114.9 Ų114.975%0.74867%0.665SS**  trans66.9121168.367.40000116.7
167V30.2Very low29.7Very low128 Ų128113.9 Ų113.978%0.77666%0.659SS**  92.6111.653.2164.60000112.3
168T25Very low29.8Very low114 Ų114116 Ų11670%0.69966%0.661SS**  trans36.2138.3134.3-34.30000120.6
169T32.2Very low29.9Very low138 Ų138113 Ų11385%0.84765%0.65SS**  trans75.3146.8175.977.50000114.3
170A31.7Very low29.9Very low95 Ų95115.9 Ų115.979%0.78567%0.666SS**  cis-110.3130.66.600000113.8
171S27.6Very low29.9Very low91 Ų91113.4 Ų113.464%0.63666%0.663SS**  trans-88.8133145.2-63.30000108.6T173S171-T173 WeakPolarHBondContact CB-OG1 3.31Å; S171-T173 PolarHBondContact O-OG1 2.86Å
172K31.6Very low30.2Very low193 Ų193111 Ų11184%0.83966%0.661SS**  trans-117.9107.3134.5-74.3-174.1177.4-176.70104.1
173T29.7Very low30.4Very low69 Ų69109.1 Ų109.142%0.42366%0.66SS.*  cis42.172.826.4580000113.4S171 F175S171-T173 WeakPolarHBondContact CB-OG1 3.31Å; S171-T173 PolarHBondContact O-OG1 2.86Å; T173-F175 HydrophobicContact CG2-CD2 3.97Å; T173-F175 PolarHBondContact O-N 3.09Å
174S24.1Very low30.1Very low65 Ų65108.7 Ų108.746%0.45567%0.665SS.*  trans-53.284.2135.448.20000109.7K34K34-S174 WeakPolarHBondContact CD-O 3.5Å; K34-S174 WeakPolarHBondContact CE-O 3.24Å; K34-S174 VanDerWaalsContact CG-O 3.3Å; K34-S174 WeakPolarHBondContact CG-O 3.19Å; K34-S174 PolarHBondContact NZ-O 2.92Å
175F25.7Very low30.1Very low110 Ų110109.2 Ų109.248%0.48267%0.667SS.*  trans-133.8130.1170-112.1-64.8000107.2K34 T173K34-F175 HydrophobicContact CB-CD1 4.45Å; K34-F175 HydrophobicContact CD-CD1 4.39Å; K34-F175 HydrophobicContact CD-CE1 4.39Å; K34-F175 HydrophobicContact CD-CG 4.47Å; K34-F175 HydrophobicContact CD-CZ 4.49Å; K34-F175 HydrophobicContact CG-CB 4.42Å; K34-F175 HydrophobicContact CG-CD1 3.39Å; K34-F175 HydrophobicContact CG-CD2 4.33Å; K34-F175 HydrophobicContact CG-CE1 3.62Å; K34-F175 HydrophobicContact CG-CG 3.76Å; K34-F175 HydrophobicContact CG-CZ 4.2Å; T173-F175 HydrophobicContact CG2-CD2 3.97Å; T173-F175 PolarHBondContact O-N 3.09Å
176V28.2Very low29.8Very low40 Ų40110.2 Ų110.224%0.24267%0.669CS.*  trans-159.7118.4143.5144.90000105.8K34 V35 V36 I178K34-V176 CarbonylContact C-O 3.09Å; K34-V176 VanDerWaalsContact C-O 3.3Å; K34-V176 WeakPolarHBondContact CA-O 3.48Å; V35-V176 PolarHBondContact N-O 3.23Å; V35-V176 VanDerWaalsContact N-O 3.12Å; V36-V176 HydrophobicContact CB-CB 3.6Å; V36-V176 HydrophobicContact CB-CG1 4.27Å; V36-V176 HydrophobicContact CB-CG2 3.49Å; V36-V176 VanDerWaalsContact CB-CG2 3.49Å; V36-V176 HydrophobicContact CG1-CG2 4.21Å; V36-V176 HydrophobicContact CG2-CB 3.74Å; V36-V176 HydrophobicContact CG2-CG1 3.83Å; V36-V176 HydrophobicContact CG2-CG2 3.65Å; V176-I178 HydrophobicContact CG2-CB 3.85Å; V176-I178 HydrophobicContact CG2-CD1 3.97Å; V176-I178 HydrophobicContact CG2-CG1 3.87Å
177V26.2Very low29.5Very low117 Ų117110.6 Ų110.671%0.70967%0.67SS**  -113.2117.6104.11730000103.7K32K32-V177 WeakPolarHBondContact O-CG2 3.21Å
178I29.2Very low29.5Very low108 Ų108111.4 Ų111.455%0.55467%0.669SS**  trans-145114-179.8-67.6-176.2000107V176V176-I178 HydrophobicContact CG2-CB 3.85Å; V176-I178 HydrophobicContact CG2-CD1 3.97Å; V176-I178 HydrophobicContact CG2-CG1 3.87Å
179N30.7Very low29.8Very low111 Ų111111.3 Ų111.359%0.59467%0.673SS**  trans55.7139.1147.7-50.32.1000120.1
180N29.5Very low29.7Very low169 Ų169109.9 Ų109.990%0.90467%0.669SS**  -126.6121.495.5-105.3-15.2000111.6
181T33.4Very low29.7Very low96 Ų96110.7 Ų110.759%0.58967%0.669SS**  trans-90.7-162.8156.351.40000106.2
182P39.7Very low29.7Very low108 Ų108114.2 Ų114.270%0.70168%0.68SS**  cis-150.9-168.218.943-19.2000118.7
183S30.2Very low29.5Very low113 Ų113110.3 Ų110.379%0.7968%0.677SS**  trans101.5139.5156.7-44.50000116.4
184A30.4Very low29.5Very low89 Ų89111.7 Ų111.774%0.73669%0.689SS**  cis-163.8164.1-21.200000106.9
185V29.4Very low29.7Very low131 Ų131114.5 Ų114.579%0.79471%0.708SS**  -179.2139.768.2159.90000110
186V28.6Very low29.5Very low122 Ų122118.2 Ų118.274%0.73973%0.726SS**  trans18.2139.2152.8178.50000121
187C26.9Very low29.4Very low115 Ų115121.8 Ų121.878%0.77775%0.753SS**  cis-160.2-123.4-18.4-92.50000108.1
188L29.2Very low29.4Very low145 Ų145122.2 Ų122.276%0.75976%0.757SS**  cis-169.2135-6.9-144.9178.5000111.6
189S30.9Very low29.2Very low112 Ų112124.3 Ų124.378%0.78377%0.768SS**  trans63.6142.2169.871.30000118.3
190S31.6Very low28.9Very low109 Ų109123.6 Ų123.676%0.76277%0.772SS**  cis-154.8-166.5-6.9640000107.8
191S31Very low28.7Very low112 Ų112123 Ų12378%0.78377%0.768SS**  cis-148.6-155.48.9-930000109.5
192L27.1Very low28.5Very low165 Ų165126.3 Ų126.386%0.86478%0.777SS**  trans-150.7161.4-167.9-164.663.9000116.3
193S27.5Very low27.8Very low110 Ų110127.3 Ų127.377%0.76978%0.776SS**  trans85157.9161.587.80000118.2
194S29.3Very low27.6Very low99 Ų99126.1 Ų126.169%0.69277%0.767SS**  cis-155.7171.19.964.60000115
195C28.2Very low27.4Very low124 Ų124130 Ų13084%0.83877%0.769SS**  trans72.3125153.3-67.40000123.6
196Q23.2Very low27.3Very low187 Ų187128.8 Ų128.887%0.87477%0.767SS**  trans-85.8148.8149.3-65.2176.4-19.600110.1
197S25.9Very low27.1Very low116 Ų116127.7 Ų127.781%0.81176%0.76SS**  trans179155.1134.2-86.60000114
198T24.9Very low27Very low126 Ų126126.6 Ų126.677%0.77375%0.754SS**  trans-12130.3165.954.90000119.2
199L25.4Very low26.8Very low152 Ų152122 Ų12280%0.79673%0.732SS**  trans-137.765.1141.1-124.9177.1000111.6
200S24.1Very low26.7Very low96 Ų96122.3 Ų122.367%0.67173%0.732SS**  trans-88.3146.6152.4-56.80000108.5
201L25.3Very low26.4Very low157 Ų157119.5 Ų119.582%0.82271%0.708SS**  trans61.884.5168.7-63.8145.3000116.1
202Q29.2Very low26.4Very low165 Ų165123.5 Ų123.577%0.77171%0.711SS**  -134.8100120.6-161.170.342.800108.5
203N25.8Very low26.4Very low128 Ų128121 Ų12168%0.68470%0.699SS**  trans-92.7161.1171.3-166.811000109.3
204C25.5Very low26.6Very low89 Ų89120 Ų12060%0.60169%0.691SS**SBendtrans58.9107.5168.3-59.10000117.9
205Q25.8Very low26.3Very low169 Ų169118.6 Ų118.679%0.7968%0.681SS**  trans68.9160.1150.9-68159.6-13.400115.6T207Q205-T207 HydrophobicContact CG-CG2 4.32Å
206S27.7Very low26.3Very low106 Ų106117.3 Ų117.374%0.74167%0.673SS**  cis-105.4129.17-52.90000111.5
207T25.1Very low26.3Very low99 Ų99116.2 Ų116.261%0.60767%0.674SS**  41115.780.357.20000115Q205Q205-T207 HydrophobicContact CG-CG2 4.32Å
208S24.1Very low26.7Very low93 Ų93113.9 Ų113.965%0.6567%0.667SS**  trans69.1158.8177.485.20000113.6
209V26.1Very low27.1Very low47 Ų47116 Ų11629%0.28567%0.669SS.*  cis-143.711423.6-126.20000111.2N211 A1475V209-N211 VanDerWaalsContact C-N 3.33Å; V209-N211 HydrophobicContact CB-CB 3.73Å; V209-N211 HydrophobicContact CG1-CB 3.67Å; V209-N211 WeakPolarHBondContact CG1-ND2 3.48Å; V209-N211 PolarHBondContact O-N 3Å; V209-N211 VanDerWaalsContact O-N 3.09Å; V209-A1475 WeakPolarHBondContact CB-O 3.32Å; V209-A1475 WeakPolarHBondContact CG2-O 3.41Å; V209-A1475 VanDerWaalsContact O-O 3.09Å
210P28.6Very low27.2Very low120 Ų120117.1 Ų117.178%0.77967%0.669SS**  trans-78.387.8164.131.8-29.7000107.6
211N25.5Very low27.9Very low50 Ų50119.3 Ų119.327%0.26768%0.679SS.*  trans-149.797.1-160.1-134.1-0.2000111.3V209 S1473 T1474V209-N211 VanDerWaalsContact C-N 3.33Å; V209-N211 HydrophobicContact CB-CB 3.73Å; V209-N211 HydrophobicContact CG1-CB 3.67Å; V209-N211 WeakPolarHBondContact CG1-ND2 3.48Å; V209-N211 PolarHBondContact O-N 3Å; V209-N211 VanDerWaalsContact O-N 3.09Å; N211-S1473 WeakPolarHBondContact ND2-CA 3.33Å; N211-S1473 WeakPolarHBondContact OD1-CA 3.49Å; N211-S1473 PolarHBondContact OD1-OG 2.92Å; N211-T1474 PolarHBondContact ND2-O 3.01Å
212K29.4Very low28Very low196 Ų196117.2 Ų117.285%0.85268%0.677SS**  trans-121.3158.2148.6-108-177.4176.9179.40107.7
213N28.9Very low27.9Very low113 Ų113113.6 Ų113.660%0.60468%0.675SS**SBendtrans-58.3152.7-149.1-61.9-40.6000117.1S1473 T1474N213-S1473 WeakPolarHBondContact CA-OG 3.47Å; N213-S1473 WeakPolarHBondContact OD1-CB 3.38Å; N213-T1474 WeakPolarHBondContact OD1-CG2 3.04Å
214C31.5Very low28.7Very low88 Ų88112.6 Ų112.660%0.59568%0.676SS**  trans68.8140.2165.9-59.70000115.2
215S23.2Very low28.9Very low70 Ų70114.1 Ų114.149%0.4968%0.682SS.*  66.6134.854.7-87.20000114.5T1472S215-T1472 WeakPolarHBondContact OG-CG2 3.39Å
216S26.6Very low29.2Very low97 Ų97110.7 Ų110.768%0.67868%0.683SS**  trans58.9120.8166.752.20000118.8
217D24.7Very low29.4Very low164 Ų164112.7 Ų112.788%0.87768%0.684SS**  40.8120.7123.9-48.6-64.5000119.6
218G32.5Very low29.7Very low66 Ų66111.7 Ų111.768%0.6869%0.686SS**  trans179.99016800000115.1
219H34.1Very low30Very low172 Ų172113.3 Ų113.380%0.79669%0.692SS**  trans40.1119.5146.6-65.4-80.4000119.5
220H27.9Very low30.4Very low175 Ų175117.5 Ų117.581%0.8172%0.718SS**  39.890.678.7-64.4-93.7000114.7
221T39.5Very low30.4Very low142 Ų142115.8 Ų115.887%0.87171%0.714SS**  -164110.5104.821.90000112.2
222S26.8Very low31Very low112 Ų112118.9 Ų118.978%0.78374%0.736SS**  trans-59165.1154.548.40000113.2
223A27.4Very low31Very low89 Ų89117 Ų11774%0.73673%0.734SS**  cis-170.5-124.7-2100000109.5
224P42.7Very low30.9Very low108 Ų108119.2 Ų119.270%0.70173%0.734SS**  -136.8-171-108.140.6-21.3000116.2
225V29.4Very low30.5Very low120 Ų120120.9 Ų120.973%0.72774%0.735SS**  trans63.6135141.4158.10000119.6L227V225-L227 HydrophobicContact CG1-CD1 3.71Å
226A31.8Very low30.7Very low97 Ų97121.3 Ų121.380%0.80274%0.738SS**  trans-153.3145.6142.400000110.1
227L32.4Very low30.7Very low148 Ų148121.3 Ų121.378%0.77574%0.738SS**  cis-175.2157.3-26.7-148.261.2000108.1V225V225-L227 HydrophobicContact CG1-CD1 3.71Å
228A31.4Very low31Very low79 Ų79120.2 Ų120.265%0.65374%0.736SS**  -125.9-94.9-50.500000109.5
229T29Very low30.8Very low127 Ų127120 Ų12078%0.77974%0.735SS**  cis-162.5162.1-18-12.40000105.2
230V34.8Very low30.6Very low134 Ų134116.8 Ų116.881%0.81273%0.729SS**  cis-130.3138.614.1168.20000108.9
231A29.8Very low30.4Very low84 Ų84114.5 Ų114.569%0.69472%0.722SS**  trans-104.1-169.5168.200000109.4
232P37.1Very low29.9Very low115 Ų115117.4 Ų117.475%0.74772%0.719SS**  -158.5-165.961.933.1-5000116.7
233I29.7Very low29.7Very low156 Ų156117.7 Ų117.780%0.872%0.721SS**  trans89.2126.6156.1-51.2-174.6000118.7
234R26.1Very low29.7Very low161 Ų161120.5 Ų120.561%0.60872%0.723SS**  trans-114.5162.9162.7-170.2-165.2-160.6-143.710.1106.7S448R234-S448 PolarHBondContact NH1-OG 3.31Å
235M23.8Very low28.8Very low123 Ų123119.9 Ų119.961%0.60672%0.721SS**  trans88.2137.9179.8-49.6175.8-70.800113.1T446 P447M235-T446 HydrophobicContact CB-CG2 3.97Å; M235-T446 HydrophobicContact CG-CG2 4.21Å; M235-T446 VanDerWaalsContact SD-CB 3.52Å; M235-T446 HydrophobicContact SD-CG2 3.83Å; M235-P447 HydrophobicContact CG-CG 3.99Å; M235-P447 HydrophobicContact SD-CG 4.28Å
236S27.2Very low28.9Very low79 Ų79121.9 Ų121.955%0.55273%0.728SS**  cis-125.7173.38.564.40000113.3G445S236-G445 VanDerWaalsContact CB-O 3.24Å; S236-G445 WeakPolarHBondContact CB-O 3Å
237S27.5Very low28.9Very low97 Ų97125.2 Ų125.268%0.67873%0.727SS**  trans-85128166.151.50000111.3
238V29.6Very low28.9Very low140 Ų140122.5 Ų122.585%0.84871%0.712SS**  trans-134132.3133.7-172.70000105.8
239G28Very low28.8Very low63 Ų63124 Ų12465%0.64971%0.709SS**  trans-93.5-155175.400000111.9
240P31.8Very low28.8Very low104 Ų104124.9 Ų124.968%0.67570%0.698SS**  cis-129.5176.2-4.642.7-28.6000113.3
241D23.3Very low28.9Very low126 Ų126123.5 Ų123.567%0.67469%0.691SS**  trans63.1153.1159.3-47.4-37.6000117.4
242Y28.1Very low29Very low203 Ų203127 Ų12780%0.79670%0.697SS**  cis-125134.210-76.4-108000111.7
243S23.6Very low28.8Very low119 Ų119130.5 Ų130.583%0.83270%0.7SS**  trans-120.6108.8143.5-171.20000106.9
244L26.8Very low28.9Very low147 Ų147128.7 Ų128.777%0.7770%0.699SS**  trans-146.7111.5170.9-110.4171.7000109.4
245S24.2Very low29Very low95 Ų95125.2 Ų125.266%0.66470%0.704SS**  trans-83.7160.6157.9-58.60000108.8
246N30.8Very low29.4Very low162 Ų162124.7 Ų124.787%0.86671%0.713SS**  trans81.2145.7167.4-54.3-12.2000117.7
247E30.9Very low29.5Very low168 Ų168128.9 Ų128.979%0.78572%0.724SS**  trans-85.3170.7-172.8-52.416880.400113.2
248I33Very low29.4Very low90 Ų90130 Ų13046%0.46272%0.722SS.*  trans73.3133.6139.6-82.5160.3000118T1403I248-T1403 HydrophobicContact CD1-CG2 4.42Å
249L30.4Very low29.5Very low112 Ų112128.5 Ų128.559%0.58671%0.713SS**  cis-172165.8-16.6-160.265.4000109.8
250R29.4Very low29.7Very low144 Ų144133.7 Ų133.754%0.54372%0.721SS.*  trans77.7156159.1-56.7-172.9-158-93-5117.1
251P36.4Very low29.7Very low105 Ų105133.7 Ų133.768%0.68272%0.719SS**  cis-143.6-169.1-3639.7-21.8000114.8
252I31Very low30Very low157 Ų157134.4 Ų134.481%0.80572%0.723SS**  trans82.2137.3158.7-64.5163.3000117.9
253K33.1Very low30.2Very low189 Ų189130.3 Ų130.382%0.82272%0.719SS**  trans-136.9136165.9176.8-175.9-177.9-179.30107.4
254P31.5Very low30.6Very low119 Ų119130.4 Ų130.477%0.77371%0.714SS**  trans-131.4-176.7137.937.2-26.4000111.4
255A29.6Very low30.9Very low87 Ų87131.3 Ų131.372%0.71972%0.717SS**  trans-143.4154.6-17900000112.1
256S31.6Very low31.3Very low112 Ų112130.5 Ų130.578%0.78371%0.711SS**  trans-152.9138.3163.1-380000105.2
257Q28.6Very low31.4Very low167 Ų167129.3 Ų129.378%0.7870%0.704SS**  cis59.5126.840.2-68.5-157.3-102.200112.5
258D26.4Very low31.5Very low122 Ų122129.1 Ų129.165%0.65270%0.703SS**  cis-145.8-178.22-86.1-42.3000109.7
259T31.8Very low31.4Very low108 Ų108128.2 Ų128.266%0.66371%0.709SS**  150.9112.9117.3-62.80000114
260Q32.3Very low31.4Very low171 Ų171126.6 Ų126.680%0.79970%0.704SS**  trans68.3149.9148-74.9170.728.300121.4
261T30.7Very low31.8Very low104 Ų104125.1 Ų125.164%0.63871%0.713SS**  cis-167.2173-30.513.50000109.9
262N30.7Very low31.5Very low142 Ų142126.8 Ų126.876%0.75971%0.712SS**  trans80.4141.3156.5-60.3-24.3000117.9
263T31.8Very low31.4Very low116 Ų116124 Ų12471%0.71270%0.702SS**  cis-156.6139.3-7.7-107.60000114.3
264V31.5Very low31.3Very low121 Ų121120.5 Ų120.573%0.73370%0.696SS**  trans11.1121.7157.1178.90000117.6
265M32.6Very low31.2Very low167 Ų167118.8 Ų118.882%0.82368%0.684SS**  -168.5179.983.9-135.8-171.1-75.200109.8
266S32.8Very low31.3Very low78 Ų78120.1 Ų120.155%0.54569%0.688SS.*  cis-161166.96.9-152.30000114.5
267N33.6Very low31.2Very low136 Ų136121.4 Ų121.473%0.72769%0.685SS**  trans13.8136144.2-63.6-1.2000121.1
268H33.7Very low31.7Very low165 Ų165122.1 Ų122.176%0.76469%0.685SS**  cis-169136.4-6-147.3-98.1000113.9
269A30.9Very low32.1Very low70 Ų70121.6 Ų121.658%0.57969%0.688SS**  trans46.5177.2150.500000123.2
270T29.2Very low32Very low79 Ų79121.3 Ų121.349%0.48569%0.691SS.*  trans-176159.1164.412.40000113.4N556T270-N556 WeakPolarHBondContact O-CB 3.44Å; T270-N556 PolarHBondContact O-ND2 3.43Å; T270-N556 PolarHBondContact OG1-ND2 3.43Å
271P37.5Very low31.7Very low112 Ų112122.5 Ų122.573%0.72769%0.694SS**  trans-131.5166.3162.239.1-26.7000113
272Q31.4Very low31.8Very low140 Ų140126.4 Ų126.465%0.65470%0.704SS**  cis-148.7-147.2-30.7-141.6-178.78.600108.4Q554 P555Q272-Q554 VanDerWaalsContact C-C 3.48Å; Q272-Q554 CarbonylContact C-O 3.6Å; Q272-Q554 VanDerWaalsContact C-O 3.31Å; Q272-Q554 CarbonylContact O-C 3.57Å; Q272-Q554 PolarHBondContact O-N 3.24Å; Q272-P555 VanDerWaalsContact CG-O 3.28Å; Q272-P555 WeakPolarHBondContact CG-O 3.44Å
273T28.5Very low31.8Very low99 Ų99128.1 Ų128.161%0.60771%0.708SS**  trans-109.9161.6-174.8-36.20000114.4Q554T273-Q554 PolarHBondContact N-O 2.73Å; T273-Q554 PolarHBondContact OG1-O 2.95Å
274V31.5Very low31.9Very low115 Ų115126.3 Ų126.370%0.69771%0.705SS**  trans113.3131.1155.3-175.60000116.8
275T29.5Very low31.9Very low83 Ų83127.1 Ų127.151%0.50971%0.709SS.*  trans-56.3128.5177.944.70000115.4L551T275-L551 WeakPolarHBondContact CG2-O 3.34Å
276S30.9Very low31.9Very low115 Ų115123.5 Ų123.580%0.80470%0.701SS**  trans-161.7168.6139.859.50000112.9
277I28.9Very low32Very low140 Ų140125 Ų12572%0.71871%0.707SS**  trans-66.7135.3-169.4-67.6157.1000113.5P279I277-P279 WeakPolarHBondContact O-CD 3.14Å
278F39.9Very low32.1Very low181 Ų181124.7 Ų124.779%0.79471%0.71SS**  trans-63127.2164.5-89.4-94.3000111.7
279P34.3Very low32Very low111 Ų111121.6 Ų121.672%0.72171%0.707SS**  -144.1171.4110.840.1-26.3000111.6I277I277-P279 WeakPolarHBondContact O-CD 3.14Å
280S29.1Very low32.1Very low103 Ų103124 Ų12472%0.7272%0.715SS**  cis-149.2145.219-940000108.5
281K27.4Very low32.3Very low195 Ų195126.8 Ų126.885%0.84873%0.731SS**  65.395.872.8-78.3-168.2173.8-174.40117.1
282H31.8Very low31.8Very low186 Ų186125.8 Ų125.886%0.86173%0.727SS**  trans-160.4142.1144.2-106.9-96.2000104.7
283E30.9Very low31.7Very low178 Ų178129.8 Ų129.883%0.83274%0.737SS**  cis-128.8-1780.8-45.6175.487.300108.4
284A33.3Very low31.7Very low79 Ų79132 Ų13265%0.65375%0.746SS**  cis-152.4155.9-1.800000109.5
285V33.1Very low31.9Very low137 Ų137132.3 Ų132.383%0.8375%0.75SS**  trans55.3124150.7175.40000118.1
286S32.7Very low31.9Very low92 Ų92136 Ų13664%0.64376%0.759SS**  cis-176.7164.3-2.8-97.90000108
287T34.2Very low32Very low109 Ų109135.2 Ų135.267%0.66975%0.753SS**  cis-170.6155-21.926.60000107.5
288T35.4Very low32.2Very low130 Ų130133.5 Ų133.580%0.79875%0.754SS**  trans62.3164.5160.554.60000117.4
289S32.6Very low31.9Very low99 Ų99133 Ų13369%0.69275%0.754SS**  cis-175159.7-25.5-88.20000108.5
290T32.5Very low31.7Very low122 Ų122132.8 Ų132.875%0.74876%0.756SS**  cis-168.9154.3-19.126.80000109.5
291V33.2Very low31.9Very low136 Ų136132.1 Ų132.182%0.82475%0.751SS**  trans66.8115.6153.9171.70000120.2
292S26.1Very low32.2Very low92 Ų92128.4 Ų128.464%0.64374%0.744SS**  trans55.9150.4138.5-151.60000124.2
293Y29.6Very low32.2Very low223 Ų223125.7 Ų125.788%0.87574%0.737SS**  trans79.4139.5166.3-70.2-76000120.4
294N28.8Very low32.2Very low146 Ų146123.7 Ų123.778%0.78173%0.727SS**  trans-62.4155.6161.5-113.8-44.1000109.8
295P36Very low32.2Very low122 Ų122128.6 Ų128.679%0.79273%0.729SS**  -144.4-153.152.442-21.4000115.6
296K28.9Very low32Very low160 Ų160128.6 Ų128.670%0.69672%0.718SS**  trans-77.6160.5-164.9-56.1179.6177.9-176.40116.4
297S33.3Very low32.5Very low98 Ų98127.6 Ų127.669%0.68572%0.722SS**  trans73.1124.8133.559.50000123.5
298S32.6Very low32.3Very low105 Ų105129.9 Ų129.973%0.73472%0.723SS**  trans70.2151.6135.768.40000119.2
299Q34.1Very low32.5Very low170 Ų170128.5 Ų128.579%0.79472%0.716SS**  cis-162.5153.11.2-135.2176.920.700111.9
300S31.4Very low32.8Very low107 Ų107128.4 Ų128.475%0.74872%0.721SS**  trans68.1161150.590.90000118.2
301S31.8Very low32.6Very low88 Ų88129.5 Ų129.562%0.61572%0.721SS**  cis-170.8173.1-22.849.30000111
302T34.6Very low32.8Very low117 Ų117127.8 Ų127.872%0.71872%0.715SS**  trans68.9148.3163.467.30000117.9
303N31Very low33Very low130 Ų130130.6 Ų130.670%0.69572%0.721SS**  cis-152.9168.8-9.4-116.6-1.2000112.4
304E31.7Very low33.5Very low136 Ų136126.6 Ų126.664%0.63672%0.72SS**  trans10.7155.4147.5-55.4-166170.900121
305R32Very low33.9Very low181 Ų181125.1 Ų125.168%0.68371%0.707SS**  -177.3114.659.7-170.778-167-92.83.5115.6
306F30.4Very low34.2Very low138 Ų138123 Ų12361%0.60569%0.693SS**  trans69.4152.3139.7-71.9-147.9000122.9F308F306-F308 HydrophobicContact CB-CD2 3.87Å; F306-F308 HydrophobicContact CB-CE2 4.33Å; F306-F308 AromaticContact CD1-CD2 3.54Å; F306-F308 HydrophobicContact CD1-CD2 3.54Å; F306-F308 AromaticContact CD1-CE2 3.44Å; F306-F308 HydrophobicContact CD1-CE2 3.44Å; F306-F308 VanDerWaalsContact CD1-CE2 3.44Å; F306-F308 HydrophobicContact CD2-CD2 4.49Å; F306-F308 HydrophobicContact CD2-CE2 4.09Å; F306-F308 HydrophobicContact CE1-CD2 4.16Å; F306-F308 AromaticContact CE1-CE2 3.61Å; F306-F308 HydrophobicContact CE1-CE2 3.61Å; F306-F308 HydrophobicContact CE1-CZ 4.37Å; F306-F308 HydrophobicContact CE2-CE2 4.25Å; F306-F308 AromaticContact CG-CD2 3.73Å; F306-F308 HydrophobicContact CG-CD2 3.73Å; F306-F308 AromaticContact CG-CE2 3.7Å; F306-F308 HydrophobicContact CG-CE2 3.7Å; F306-F308 HydrophobicContact CZ-CE2 4.02Å
307G41.9Very low34.6Very low70 Ų70117.9 Ų117.972%0.72268%0.68SS**  trans140.686.2169.800000111.2
308F30.9Very low34.4Very low158 Ų158115.8 Ų115.869%0.69367%0.666SS**  cis67.7145.230.3-73.9-69.2000114.5F306F306-F308 HydrophobicContact CB-CD2 3.87Å; F306-F308 HydrophobicContact CB-CE2 4.33Å; F306-F308 AromaticContact CD1-CD2 3.54Å; F306-F308 HydrophobicContact CD1-CD2 3.54Å; F306-F308 AromaticContact CD1-CE2 3.44Å; F306-F308 HydrophobicContact CD1-CE2 3.44Å; F306-F308 VanDerWaalsContact CD1-CE2 3.44Å; F306-F308 HydrophobicContact CD2-CD2 4.49Å; F306-F308 HydrophobicContact CD2-CE2 4.09Å; F306-F308 HydrophobicContact CE1-CD2 4.16Å; F306-F308 AromaticContact CE1-CE2 3.61Å; F306-F308 HydrophobicContact CE1-CE2 3.61Å; F306-F308 HydrophobicContact CE1-CZ 4.37Å; F306-F308 HydrophobicContact CE2-CE2 4.25Å; F306-F308 AromaticContact CG-CD2 3.73Å; F306-F308 HydrophobicContact CG-CD2 3.73Å; F306-F308 AromaticContact CG-CE2 3.7Å; F306-F308 HydrophobicContact CG-CE2 3.7Å; F306-F308 HydrophobicContact CZ-CE2 4.02Å
309P39.6Very low34.9Very low101 Ų101114.4 Ų114.466%0.65665%0.649SS**  -143.3166.2-61.736.5-17.6000115.7
310A39.1Very low34.8Very low96 Ų96109.7 Ų109.779%0.79365%0.646SS**  trans-167.1135.9150.800000109.4
311I28.7Very low34.7Very low146 Ų146108.2 Ų108.275%0.74963%0.633SS**  cis93.913820.6-55.9173.7000114.4
312S36.8Very low34.7Very low100 Ų100109 Ų10970%0.69963%0.634SS**  trans71.6113.2-176.7-65.10000115.5
313I29.1Very low34.5Very low151 Ų151107.9 Ų107.977%0.77463%0.631SS**  72.7100.153.1-55.3162.3000112.4
314T41Very low34.4Very low139 Ų139107.9 Ų107.985%0.85364%0.635SS**  trans-163.1125.2137.23.20000109.1
315K37.9Very low34.1Very low115 Ų115107.1 Ų107.150%0.564%0.64SS.*  trans-144.190.1177.5-175.8173.6-174.71720109.3P397K315-P397 HydrophobicContact CG-CG 4.36Å
316P42Very low34Very low76 Ų76105.7 Ų105.749%0.49465%0.645SS.*  trans-96.4119.6-170.433.2-28.8000112.4M396 P397P316-M396 CarbonylContact O-C 3.58Å; P316-P397 CarbonylContact C-O 3.6Å; P316-P397 WeakPolarHBondContact O-CD 3.1Å; P316-P397 VanDerWaalsContact O-N 3.09Å
317A37.4Very low33.7Very low53 Ų53104.5 Ų104.544%0.43865%0.653SS.*  cis-153.4121.4-31.500000109.7P397 V398A317-P397 CarbonylContact C-O 3.59Å; A317-P397 VanDerWaalsContact C-O 3.32Å; A317-P397 VanDerWaalsContact CA-CD 3.49Å; A317-P397 PolarHBondContact N-O 3.44Å; A317-P397 CarbonylContact O-C 2.89Å; A317-V398 WeakPolarHBondContact O-CA 3.24Å; A317-V398 WeakPolarHBondContact O-CB 3.18Å; A317-V398 WeakPolarHBondContact O-CG1 3.44Å; A317-V398 PolarHBondContact O-N 3.3Å
318S29.6Very low33.2Very low54 Ų54108.7 Ų108.738%0.37866%0.657SS.*  trans65.3-170.7172.168.60000131P397 V398S318-P397 VanDerWaalsContact C-CB 3.47Å; S318-P397 VanDerWaalsContact N-CB 3.34Å; S318-P397 CarbonylContact O-C 3.12Å; S318-P397 VanDerWaalsContact O-C 3.31Å; S318-P397 WeakPolarHBondContact O-CA 3.2Å; S318-P397 WeakPolarHBondContact O-CB 3.24Å; S318-V398 VanDerWaalsContact C-CG2 3.44Å; S318-V398 WeakPolarHBondContact O-CA 3.39Å; S318-V398 PolarHBondContact O-N 2.98Å; S318-V398 WeakPolarHBondContact OG-CB 3.35Å; S318-V398 WeakPolarHBondContact OG-CG1 3.45Å; S318-V398 WeakPolarHBondContact OG-CG2 3.33Å
319I42.1Very low33Very low77 Ų77105.3 Ų105.340%0.39566%0.659SS.*SBendtrans44.189.6-161.767.4-172.3000117.8V398 M400I319-V398 HydrophobicContact CB-CG2 3.8Å; I319-V398 HydrophobicContact CD1-CB 4.47Å; I319-V398 HydrophobicContact CD1-CG2 3.92Å; I319-V398 HydrophobicContact CG1-CB 4.05Å; I319-V398 HydrophobicContact CG1-CG2 3.57Å; I319-V398 HydrophobicContact CG2-CG2 3.49Å; I319-V398 VanDerWaalsContact CG2-CG2 3.49Å; I319-M400 HydrophobicContact CD1-CB 4.02Å; I319-M400 HydrophobicContact CD1-CG 3.5Å; I319-M400 VanDerWaalsContact CD1-CG 3.5Å; I319-M400 VanDerWaalsContact CD1-N 3.34Å; I319-M400 HydrophobicContact CG2-CB 4.34Å; I319-M400 HydrophobicContact CG2-CG 4.25Å
320G32.9Very low33.2Very low70 Ų70105 Ų10572%0.72266%0.657SS**SBendcis-123.345-600000111
321T29.2Very low32.9Very low76 Ų76106.6 Ų106.647%0.46666%0.657SS.*  trans45.5119.2162.448.20000118.5
322T30.9Very low33.2Very low105 Ų105106.1 Ų106.164%0.64465%0.654SS**  trans66.1156151.545.80000116.3
323S30Very low33.1Very low94 Ų94106.4 Ų106.466%0.65766%0.656SS**  cis-157.3129.1-1734.30000106.6
324V28.6Very low33.4Very low130 Ų130104.3 Ų104.379%0.78866%0.655SS**  60.2136.498.9-176.90000114.3
325T26.8Very low33.2Very low119 Ų119102.9 Ų102.973%0.7365%0.651SS**  trans-46.3158.9173.249.50000113.8
326I28.4Very low33.1Very low152 Ų152103.3 Ų103.378%0.77966%0.663SS**  -138.7133.785.7-85.2157.3000111.9I328I326-I328 HydrophobicContact CG2-CB 4.36Å; I326-I328 HydrophobicContact CG2-CD1 4.44Å
327S24.5Very low32.7Very low112 Ų112104.4 Ų104.478%0.78366%0.663SS**  trans-86.8117.5158.8160.70000108.8
328I30.8Very low32.4Very low158 Ų158105 Ų10581%0.8166%0.662SS**  trans-158.4123.2153.3-98.2143.7000107.8I326I326-I328 HydrophobicContact CG2-CB 4.36Å; I326-I328 HydrophobicContact CG2-CD1 4.44Å
329A27.5Very low32.5Very low88 Ų88107 Ų10773%0.72767%0.672SS**  trans-111.3-166.9162.600000106.9
330P43.4Very low32.1Very low95 Ų95110.9 Ų110.962%0.61769%0.688SS**  cis-132.8176.4-14.941.4-26.7000113.3I332P330-I332 HydrophobicContact CB-CD1 4.17Å; P330-I332 HydrophobicContact CB-CG1 4.27Å; P330-I332 HydrophobicContact CG-CD1 4.17Å
331T32.9Very low31.9Very low129 Ų129113 Ų11379%0.79169%0.692SS**  trans177.9104.8138.430.10000105.9
332I35.8Very low31.9Very low136 Ų136117.5 Ų117.570%0.69771%0.71SS**  47.9124.265.4-16.4140.6000110.5P330P330-I332 HydrophobicContact CB-CD1 4.17Å; P330-I332 HydrophobicContact CB-CG1 4.27Å; P330-I332 HydrophobicContact CG-CD1 4.17Å
333S34.7Very low32.3Very low105 Ų105117.6 Ų117.673%0.73471%0.712SS**  cis-141.7164.123.1-41.70000111.6
334S35.7Very low32.4Very low108 Ų108118.2 Ų118.276%0.75572%0.717SS**  cis-132.9-145.18.3-48.50000109.4
335S36.7Very low32.5Very low109 Ų109119.7 Ų119.776%0.76272%0.718SS**  cis-176.3159-9.331.70000106.3
336V35.9Very low32.7Very low124 Ų124122.8 Ų122.875%0.75272%0.722SS**  cis-171.7139.8-13.81340000103.9
337I32.4Very low32.9Very low98 Ų98123.2 Ų123.250%0.50373%0.726SS.*  cis-161.4-179-12.8-161.9164000108.8N816I337-N816 WeakPolarHBondContact CG1-OD1 3.25Å; I337-N816 HydrophobicContact CG2-CB 4.37Å; I337-N816 WeakPolarHBondContact CG2-OD1 3.27Å
338T32.1Very low33.2Very low67 Ų67123.4 Ų123.441%0.41172%0.722SS.*  trans-56.2163.5174.7-2.80000112.9N816T338-N816 PolarHBondContact O-ND2 3.08Å; T338-N816 PolarHBondContact O-OD1 2.86Å
339T32.4Very low33.3Very low95 Ų95126 Ų12658%0.58372%0.722SS**  cis65.9160.215.867.40000115.9N816T339-N816 PolarHBondContact O-ND2 2.73Å; T339-N816 VanDerWaalsContact O-ND2 3.12Å
340H32.8Very low33.7Very low158 Ų158127.4 Ų127.473%0.73172%0.721SS**  cis-127.8156.1-3.2-58.5-103.4000109.2
341S28.8Very low33.1Very low116 Ų116133 Ų13381%0.81173%0.73SS**  63.7154.9103.2-161.80000119.4
342M28.7Very low33Very low170 Ų170133 Ų13384%0.83773%0.732SS**  trans-95.5-162162.8-48.1-174.876.900109.6
343P40.5Very low32.7Very low107 Ų107131.6 Ų131.670%0.69573%0.73SS**  cis-138.9-161.1-9.340.6-19.5000115.4
344S30.6Very low32.5Very low107 Ų107132.8 Ų132.875%0.74873%0.732SS**  trans77.6155.6159-69.30000120.2
345I31.2Very low32.3Very low160 Ų160131.6 Ų131.682%0.82173%0.729SS**  cis-157.6-130.4-23.1-167.6157.2000111.6
346F32.1Very low31.9Very low185 Ų185135.3 Ų135.381%0.81174%0.735SS**  trans-132.1148.3-169.8-99.8-88.6000114.2
347N31.7Very low31.8Very low160 Ų160134.5 Ų134.586%0.85673%0.734SS**  -163.3174.7124.5-143.5-27.8000112.2
348V31.8Very low31.8Very low117 Ų117136.5 Ų136.571%0.70975%0.751SS**  trans-122.3141.2-161.7176.50000114.3
349R32.6Very low31.7Very low212 Ų212140.8 Ų140.880%0.877%0.771SS**  trans-146.8160.1146.4-161.2154.2-176.8156.22113.3
350T35.5Very low32.2Very low118 Ų118141.7 Ų141.772%0.72478%0.778SS**  trans-60.3156.3-165.247.80000118.4
351R29.6Very low32Very low213 Ų213139.7 Ų139.780%0.80478%0.776SS**  trans-37.5152.6165.8-78.6-173.7175-162.91.5115.2
352P30.6Very low32.2Very low127 Ų127141.9 Ų141.983%0.82578%0.778SS**  -110.8-172.499.933.7-36.9000114.2
353T29.6Very low32.3Very low107 Ų107138.1 Ų138.166%0.65677%0.769SS**  trans-106.6169.1-168.5-50.50000111.7
354V31.5Very low31.8Very low130 Ų130139.7 Ų139.779%0.78878%0.776SS**  trans90.8125.1165-171.80000116.5
355A30.8Very low31.8Very low83 Ų83137.7 Ų137.769%0.68677%0.772SS**  trans45.9134.2154.800000119.7
356Q29.7Very low32.1Very low188 Ų188136.5 Ų136.588%0.87978%0.775SS**  43.4114.669.4-62-175.4-5.700112.1
357S33Very low32.3Very low106 Ų106136 Ų13674%0.74178%0.775SS**  cis-163148.815.154.20000113
358V32.1Very low32.3Very low141 Ų141134.4 Ų134.486%0.85577%0.773SS**  trans53.8103.5144.6-177.50000118.7
359L30Very low32.3Very low157 Ų157132.8 Ų132.882%0.82277%0.773SS**  trans-74.3-172.9154.6-67.4167.4000110.8
360P42.7Very low33.1Very low113 Ų113128.1 Ų128.173%0.73477%0.77SS**  cis-112-140.7-12.412.913.7000111.4
361V29.6Very low33.3Very low116 Ų116128 Ų12870%0.70377%0.771SS**  cis-161.1164.812.7-143.90000111.6
362L32.3Very low33.3Very low162 Ų162124.9 Ų124.985%0.84877%0.769SS**  trans68.3147.4158.7-61.3176.4000118.4
363S30.6Very low33.4Very low92 Ų92125.1 Ų125.164%0.64376%0.764SS**  cis-170126.4-16.1172.40000112.7
364V30.5Very low33.5Very low140 Ų140126.3 Ų126.385%0.84877%0.771SS**  trans59.7142.8147.9-177.90000120.2
365G30.7Very low33.5Very low65 Ų65128.2 Ų128.267%0.6777%0.772SS**  trans-92.3-146.8173.700000114.1
366P38.2Very low33.7Very low134 Ų134130 Ų13087%0.8777%0.774SS**  cis-137-159.58.443.2-23000115.7
367Q34.7Very low33.8Very low174 Ų174125.7 Ų125.781%0.81377%0.765SS**  trans-41158.5176.5-108.5177.2-47.900118.3
368P32.3Very low33.6Very low127 Ų127128.7 Ų128.783%0.82577%0.772SS**  -147-174.566.240.6-20.6000117.7
369A32.7Very low33.4Very low84 Ų84127.8 Ų127.869%0.69477%0.772SS**  trans-158.5-167.1177.900000109.4
370P49.1Very low33.4Very low113 Ų113125.2 Ų125.273%0.73477%0.767SS**  cis-113.9-168.5-44.840.4-27.3000111.3
371P38.4Very low32.8Very low116 Ų116126.5 Ų126.575%0.75377%0.767SS**  -144.7-163.6117.443.3-28.4000111.7
372L30.7Very low32.7Very low147 Ų147128.9 Ų128.977%0.7777%0.77SS**  cis-157.4163.14.7-164.655.9000111.4
373N32.8Very low32.6Very low133 Ų133126.1 Ų126.171%0.71176%0.764SS**  trans47.787.6155.9-80.2-4.6000121.2
374T31.4Very low32.7Very low132 Ų132130.6 Ų130.681%0.8178%0.775SS**  -147.9139100.99.20000113.3
375Q32.2Very low32.8Very low170 Ų170129.2 Ų129.279%0.79477%0.772SS**  trans-5.5143.3143.1-62.2169.2-0.200117.3
376T33.5Very low33.1Very low121 Ų121131.4 Ų131.474%0.74277%0.772SS**  cis-163.3162.44.94.10000111.6
377S31.9Very low32.7Very low97 Ų97131 Ų13168%0.67877%0.767SS**  trans35.2110.8156.157.90000119.1
378L30.2Very low32.6Very low169 Ų169130 Ų13089%0.88576%0.762SS**  59.5119.870.9-66.2171000115.2
379S26.2Very low32.5Very low122 Ų122132.3 Ų132.385%0.85376%0.76SS**  trans-59.8142.5167-28.10000113.2
380S31.5Very low32.5Very low103 Ų103136.2 Ų136.272%0.7277%0.766SS**  trans-163139.215247.50000112.9
381L29.6Very low32Very low140 Ų140135.3 Ų135.373%0.73376%0.76SS**  trans42.5130.2138-78.674.5000120
382Q28.3Very low31.5Very low166 Ų166137.7 Ų137.778%0.77677%0.765SS**  56.8139.280.6-65.8177.6-22.800113.7
383S28.7Very low31.5Very low104 Ų104136.2 Ų136.273%0.72776%0.762SS**  cis-174.6158-1.446.60000110.6
384Q34.2Very low31.3Very low185 Ų185132.9 Ų132.986%0.86476%0.759SS**  trans-138.2139.6148.7-66.7-168.69.600107.3
385S31.4Very low31.3Very low112 Ų112134 Ų13478%0.78376%0.759SS**SBendcis-136164.713.6-66.20000111.2
386T36.5Very low31.6Very low111 Ų111132.9 Ų132.968%0.68176%0.756SS**  cis-173.2138.8-24.1-86.30000107.1
387V31.6Very low31.8Very low124 Ų124127.9 Ų127.975%0.75273%0.726SS**  trans73.6111.1165163.50000118.7
388Q31.4Very low31.6Very low154 Ų154126 Ų12672%0.7271%0.71SS**  trans83.8149150.6-60.8-76.34.700121.8
389F31.4Very low31.7Very low176 Ų176123.7 Ų123.777%0.77270%0.703SS**  trans71.575.1169.3-54.1-66.5000120.5
390M32.8Very low31.9Very low166 Ų166123.2 Ų123.282%0.81869%0.689SS**  20.6154.8116.3-65.6163.654.800121.1
391P36.7Very low32.3Very low94 Ų94123.6 Ų123.661%0.6169%0.689SS**  cis-145.4167.8-4040.5-23.2000115.2
392L28.5Very low32.4Very low166 Ų166122.2 Ų122.287%0.86969%0.686SS**  trans62-169.4161.1-100.161.9000113.7
393V30.5Very low33Very low116 Ų116119.4 Ų119.470%0.70368%0.682SS**  cis-141.1172.211.5-144.50000110.8
394G29.6Very low32.9Very low62 Ų62118.7 Ų118.764%0.63968%0.683SS**  trans-134.1170.616400000111.3
395N30.5Very low33Very low155 Ų155116 Ų11683%0.82968%0.679SS**SBendtrans50.6110.1-174.1-94.2-4.8000115.4
396M38.3Very low32.9Very low148 Ų148115.2 Ų115.273%0.72967%0.674SS**  trans-19.4153.3149.2-108.9-151.4-169.500113.7P316P316-M396 CarbonylContact O-C 3.58Å
397P37.1Very low32.8Very low16 Ų16116.7 Ų116.710%0.10468%0.682CS.*  cis-134.3-16833.54.324.7000120.4K315 P316 A317 S318K315-P397 HydrophobicContact CG-CG 4.36Å; P316-P397 CarbonylContact C-O 3.6Å; P316-P397 WeakPolarHBondContact O-CD 3.1Å; P316-P397 VanDerWaalsContact O-N 3.09Å; A317-P397 CarbonylContact C-O 3.59Å; A317-P397 VanDerWaalsContact C-O 3.32Å; A317-P397 VanDerWaalsContact CA-CD 3.49Å; A317-P397 PolarHBondContact N-O 3.44Å; A317-P397 CarbonylContact O-C 2.89Å; S318-P397 VanDerWaalsContact C-CB 3.47Å; S318-P397 VanDerWaalsContact N-CB 3.34Å; S318-P397 CarbonylContact O-C 3.12Å; S318-P397 VanDerWaalsContact O-C 3.31Å; S318-P397 WeakPolarHBondContact O-CA 3.2Å; S318-P397 WeakPolarHBondContact O-CB 3.24Å
398V29.1Very low32.8Very low56 Ų56113.8 Ų113.834%0.33968%0.678SS.*  trans44.6152.8174.6118.10000121.8A317 S318 I319A317-V398 WeakPolarHBondContact O-CA 3.24Å; A317-V398 WeakPolarHBondContact O-CB 3.18Å; A317-V398 WeakPolarHBondContact O-CG1 3.44Å; A317-V398 PolarHBondContact O-N 3.3Å; S318-V398 VanDerWaalsContact C-CG2 3.44Å; S318-V398 WeakPolarHBondContact O-CA 3.39Å; S318-V398 PolarHBondContact O-N 2.98Å; S318-V398 WeakPolarHBondContact OG-CB 3.35Å; S318-V398 WeakPolarHBondContact OG-CG1 3.45Å; S318-V398 WeakPolarHBondContact OG-CG2 3.33Å; I319-V398 HydrophobicContact CB-CG2 3.8Å; I319-V398 HydrophobicContact CD1-CB 4.47Å; I319-V398 HydrophobicContact CD1-CG2 3.92Å; I319-V398 HydrophobicContact CG1-CB 4.05Å; I319-V398 HydrophobicContact CG1-CG2 3.57Å; I319-V398 HydrophobicContact CG2-CG2 3.49Å; I319-V398 VanDerWaalsContact CG2-CG2 3.49Å
399T31.6Very low32.7Very low122 Ų122113.7 Ų113.775%0.74868%0.682SS**  cis-121142.218.2-12.90000117.6
400M31.5Very low32.5Very low112 Ų112117.5 Ų117.555%0.55269%0.691SS**  trans-74.6166.1150.2-85.2-121.2-72.400109.1I319 V402I319-M400 HydrophobicContact CD1-CB 4.02Å; I319-M400 HydrophobicContact CD1-CG 3.5Å; I319-M400 VanDerWaalsContact CD1-CG 3.5Å; I319-M400 VanDerWaalsContact CD1-N 3.34Å; I319-M400 HydrophobicContact CG2-CB 4.34Å; I319-M400 HydrophobicContact CG2-CG 4.25Å; M400-V402 HydrophobicContact SD-CB 4.28Å; M400-V402 HydrophobicContact SD-CG2 3.84Å
401P38.5Very low32.4Very low110 Ų110116.2 Ų116.271%0.71469%0.687SS**  cis-109.5161.914.95.720.2000113.5
402V33.1Very low32Very low112 Ų112117.6 Ų117.668%0.67969%0.694SS**  71.6140.153.8129.30000112.7M400M400-V402 HydrophobicContact SD-CB 4.28Å; M400-V402 HydrophobicContact SD-CG2 3.84Å
403P40.3Very low32.1Very low107 Ų107117.1 Ų117.170%0.69569%0.69SS**  cis-141.4-175-13.541.6-24000116.4
404A26.9Very low32.1Very low89 Ų89117.3 Ų117.374%0.73669%0.688SS**  trans74.315514600000117.9
405T35.8Very low32.2Very low129 Ų129120.9 Ų120.979%0.79169%0.687SS**  cis-136.3158.620.733.10000114.8
406S29.4Very low32.3Very low95 Ų95117.5 Ų117.566%0.66467%0.669SS**  trans-6.8135.7155.862.20000118.6
407T35Very low32.1Very low141 Ų141113.8 Ų113.887%0.86565%0.65SS**  -177.5166.567.3350000108.7
408G31.9Very low31.8Very low64 Ų64116.6 Ų116.666%0.6667%0.674SS**  cis154141.8-5.900000111.9
409L29Very low32.2Very low152 Ų152119.9 Ų119.980%0.79669%0.689SS**  trans50.9129.8157.9-54.1174000120.5
410R26.6Very low32.7Very low255 Ų255119 Ų11996%0.96269%0.685SS**  trans-113.3122130.9-93.4-171.4175.6-108.11.2107.7
411N31.4Very low32.7Very low139 Ų139121.1 Ų121.174%0.74370%0.697SS**  trans-87.3163.9175.8-11026.1000111.7
412V28.1Very low32.3Very low123 Ų123120.8 Ų120.875%0.74570%0.704SS**  trans-76.3149.1171.31710000110.4
413I30.8Very low32.3Very low156 Ų156119.3 Ų119.380%0.871%0.711SS**  trans67.3147.1169.1-78.7161.9000116.2
414N29.2Very low32Very low121 Ų121118.9 Ų118.965%0.64772%0.716SS**  cis-164.7179.1-31.3-163.7-3.4000108.1
415H33.2Very low32.8Very low137 Ų137120 Ų12063%0.63472%0.716SS**  trans84.7106.9160.9-61.8-23.3000120.7
416N31.3Very low32.5Very low84 Ų84120.8 Ų120.845%0.44972%0.721SS.*  66.3146.1118-51.4-6.6000120C676N416-C676 HydrophobicContact CB-CB 3.62Å; N416-C676 VanDerWaalsContact CB-SG 3.57Å
417Q34.6Very low32.9Very low70 Ų70120.7 Ų120.733%0.32773%0.726SS.*  cis161.2140.3-20.5-101.1161.5-26.200108.8S674 T675 C676Q417-S674 PolarHBondContact NE2-O 2.83Å; Q417-S674 PolarHBondContact OE1-O 3.31Å; Q417-S674 VanDerWaalsContact OE1-O 3.07Å; Q417-T675 HydrophobicContact CB-CG2 3.62Å; Q417-T675 HydrophobicContact CG-CG2 4.08Å; Q417-T675 WeakPolarHBondContact O-CB 3.37Å; Q417-C676 HydrophobicContact CB-CB 4.21Å; Q417-C676 WeakPolarHBondContact O-CA 3.28Å; Q417-C676 VanDerWaalsContact O-CB 3.22Å; Q417-C676 WeakPolarHBondContact O-CB 3.44Å; Q417-C676 PolarHBondContact O-N 2.97Å
418A29.8Very low33Very low74 Ų74120.1 Ų120.161%0.61273%0.725SS**  trans155.4126.9157.200000111.2T675A418-T675 HydrophobicContact CB-CG2 4.47Å
419I37.4Very low33Very low126 Ų126122.7 Ų122.765%0.64673%0.731SS**  82.8127.451.8-74.5-170.3000113.8T675I419-T675 HydrophobicContact CD1-CG2 3.57Å; I419-T675 HydrophobicContact CG1-CG2 3.94Å
420P42.4Very low33.7Very low104 Ų104121.4 Ų121.468%0.67573%0.732SS**  cis-150.7-167.5-16.542.8-21.8000118.2
421I31.3Very low34.6Very low156 Ų156114.1 Ų114.180%0.872%0.718SS**  trans98.2130.2150.1-73.3166.3000122.5
422A30.8Very low34.5Very low103 Ų103115.1 Ų115.185%0.85172%0.722SS**  trans64.5151.7163.400000119.4
423G32.1Very low34.9Very low80 Ų80118.3 Ų118.383%0.82573%0.729SS**  cis-162.9-1711.400000112.7
424A34.8Very low35Very low98 Ų98118.4 Ų118.481%0.8173%0.729SS**  trans-120-165.4-164.400000114.1
425P42.8Very low35.3Very low113 Ų113122.2 Ų122.273%0.73474%0.741SS**  -134.4-168.5-63.936.5-18.1000116
426T30.6Very low35.4Very low146 Ų146121.2 Ų121.290%0.89674%0.74SS**  trans93.9156159.159.40000122.1
427A37.2Very low35.5Very low92 Ų92124.9 Ų124.976%0.7676%0.756SS**  trans-123.3-169.2-162.100000113.2
428P38.2Very low35.6Very low130 Ų130126.4 Ų126.484%0.84477%0.77SS**  -149.1-155.552.641.2-16.3000117.5
429C31.8Very low36.4Very low118 Ų118128.5 Ų128.580%0.79778%0.778SS**  trans-119.6-145-162-43.40000114
430P44.1Very low36.4Very low124 Ų124130.2 Ų130.281%0.80579%0.785SS**  cis-132-97.8-13.424.64.3000121.9
431P44.1Very low36.3Very low103 Ų103129.4 Ų129.467%0.66978%0.78SS**  trans-139.3178.9-135.240-17.2000122.4
432L29Very low36.2Very low159 Ų159129.4 Ų129.483%0.83278%0.776SS**  trans121.3130.8142.8-63.4-178.7000122.8
433Q36.6Very low36.2Very low191 Ų191133 Ų13389%0.89377%0.773SS**  168.8157.2111-88.5-161.9-20.800116.1
434I34.4Very low36Very low157 Ų157137.6 Ų137.681%0.80578%0.775SS**  trans-155.4157.7-168.1-67.9174.6000111.8
435F35.4Very low35.9Very low202 Ų202134.8 Ų134.889%0.88676%0.756SS**  trans174.9170.8147.6-87.8-38.2000111.1
436N33.6Very low35.2Very low115 Ų115133.6 Ų133.662%0.61575%0.746SS**  cis-167151.8-36.2-168.346.5000108.7
437M34.2Very low35.8Very low161 Ų161130 Ų13079%0.79373%0.726SS**  169.8114.7103.9-78.9-75.3-156.400109.2
438T36.6Very low35.3Very low102 Ų102129.1 Ų129.163%0.62671%0.714SS**  63144.492.634.60000118.1
439P47.7Very low34.8Very low118 Ų118132.8 Ų132.877%0.76671%0.712SS**  cis-134.7136.342.643.4-26.7000116.8
440M36.6Very low34.8Very low162 Ų162133.7 Ų133.780%0.79871%0.714SS**  96.6155.888.9-83.3-141.2127.400116.4
441P41Very low34.6Very low88 Ų88135.2 Ų135.257%0.57172%0.715SS**  cis-150.8166.8-31.943.5-25.6000118.8
442Q28.1Very low33.9Very low155 Ų155139.3 Ų139.372%0.72472%0.724SS**  trans63.1153.5159.6-25.3-162.2-79.100119.3
443F31.7Very low34.7Very low179 Ų179136.6 Ų136.679%0.78572%0.716SS**  cis-131.8174.56-113.2-78.1000112.3
444M28.5Very low34.5Very low176 Ų176134.4 Ų134.487%0.86772%0.716SS**  trans-123159.6-174.6-56.6179.375.400113.8
445G31.8Very low35Very low39 Ų39130.3 Ų130.340%0.40271%0.712SS.*  trans-177.7131.5166.100000113.4S236S236-G445 VanDerWaalsContact CB-O 3.24Å; S236-G445 WeakPolarHBondContact CB-O 3Å
446T28.5Very low35Very low88 Ų88126.5 Ų126.554%0.5471%0.708SS.*  trans-147.4-175.3-166.5840000112.9M235M235-T446 HydrophobicContact CB-CG2 3.97Å; M235-T446 HydrophobicContact CG-CG2 4.21Å; M235-T446 VanDerWaalsContact SD-CB 3.52Å; M235-T446 HydrophobicContact SD-CG2 3.83Å
447P42.8Very low34.8Very low71 Ų71127.7 Ų127.746%0.46172%0.719SS.*  -135.6176.7-125.641.1-19.9000119M235M235-P447 HydrophobicContact CG-CG 3.99Å; M235-P447 HydrophobicContact SD-CG 4.28Å
448S27Very low34.7Very low73 Ų73124.6 Ų124.651%0.5172%0.719SS.*  trans74.7165.5169.8-11.10000114.4R234R234-S448 PolarHBondContact NH1-OG 3.31Å
449Y26.8Very low34.4Very low208 Ų208123 Ų12382%0.81672%0.723SS**  cis-142.4-163.89.1-122.3-59.6000111.5
450V32.7Very low33.7Very low137 Ų137121.7 Ų121.783%0.8372%0.722SS**  trans-86.6161-171.5175.10000113.3
451L40.5Very low33.4Very low156 Ų156120.4 Ų120.482%0.81772%0.719SS**  trans-78152.7-165.5-56.8163.3000116.5
452H28.6Very low32.7Very low189 Ų189120 Ų12088%0.87572%0.718SS**  -153.8156.2121.9-132.5-118000111.6
453P45.4Very low32.6Very low101 Ų101121.5 Ų121.566%0.65672%0.722SS**  trans-118159.4-158.840.8-31000117
454T32.6Very low32.4Very low146 Ų146120.7 Ų120.790%0.89672%0.721SS**  trans-144.6112.6158.552.20000110.6
455G43.9Very low32.4Very low70 Ų70121.5 Ų121.572%0.72272%0.72SS**  trans-91.4177168.900000112.3
456P36.9Very low32.6Very low123 Ų123124.1 Ų124.180%0.79973%0.73SS**  -154.3-175.1104.336.2-15.8000116.3
457V28.2Very low32.5Very low139 Ų139129.2 Ų129.284%0.84275%0.748SS**  trans75.8125.3168.6-1710000115.2
458A31.9Very low31.8Very low97 Ų97129.3 Ų129.380%0.80276%0.762SS**  cis-160.2162.4-14.900000108.5
459G31.3Very low32.1Very low68 Ų68130.9 Ų130.970%0.70177%0.773SS**  cis169.1179.9-300000111.4
460A32.6Very low32.3Very low91 Ų91126.5 Ų126.575%0.75277%0.767SS**  trans64.2144.517700000117.2
461N30.5Very low32.2Very low135 Ų135128.1 Ų128.172%0.72277%0.766SS**  cis-149.9137.3-18.9-88.7-23000104.6
462S25.9Very low32.1Very low80 Ų80128.1 Ų128.156%0.55977%0.766SS**  54.2143.468.267.60000115.6
463F27.1Very low32.3Very low185 Ų185126.7 Ų126.781%0.81176%0.763SS**  trans73.6158.5177.4-50.5-71.1000116.8
464Q27Very low32.1Very low163 Ų163127.1 Ų127.176%0.76277%0.766SS**  cis174.9127.7-27.4176.565.750.700106
465F27.5Very low32.2Very low192 Ų192123.6 Ų123.684%0.84276%0.759SS**  trans-75.3140.1158.2-89.4-78.5000108
466P37.2Very low31.6Very low95 Ų95127.4 Ų127.462%0.61776%0.762SS**  cis-148.3-165.538.342.3-21.6000116.2
467Q25.3Very low31.4Very low195 Ų195127.6 Ų127.691%0.91177%0.767SS**  trans71.1137.1160.7-65.5174.12.300118.5
468G29.9Very low31.7Very low73 Ų73124.6 Ų124.675%0.75376%0.764SS**  trans157.271.4172.800000117.2
469S32.7Very low32Very low106 Ų106126.2 Ų126.274%0.74177%0.769SS**  trans-26.3155.8151.149.70000118
470T31.2Very low32Very low115 Ų115128 Ų12871%0.70678%0.777SS**  cis179.7155-6.428.70000108.5
471H30.8Very low32.2Very low172 Ų172126.7 Ų126.780%0.79677%0.773SS**  trans65158.7157.8-78.9-135000116.1
472L38.3Very low32.4Very low156 Ų156127.4 Ų127.482%0.81778%0.782SS**  cis-126.5134.211.2-74.4165.9000113.6
473L32.2Very low32.7Very low158 Ų158127.2 Ų127.283%0.82779%0.793SS**  trans-101.8-175.8149.7-91.4166.7000107.4
474P41.4Very low33Very low110 Ų110121.7 Ų121.771%0.71479%0.787SS**  cis-132.8-170.5-17.929.6-7.8000113.2
475G34.4Very low33.2Very low73 Ų73120.1 Ų120.175%0.75379%0.789SS**  trans147.5148.1143.600000116.8
476L31.5Very low33.3Very low149 Ų149116.1 Ų116.178%0.7878%0.78SS**  -173.9148.1-64.3-101.5172.4000108.5
477S33.6Very low33Very low127 Ų127121 Ų12189%0.88879%0.793SS**  trans63152.4175.773.80000117.3
478G33Very low33.2Very low76 Ų76118.3 Ų118.378%0.78478%0.784SS**  cis157.8144.6-10.500000112.8
479S38.7Very low33.1Very low132 Ų132123.8 Ų123.892%0.92379%0.788SS**  trans-172.7168.7161.4-1630000111.5
480A31.5Very low32.9Very low104 Ų104127 Ų12786%0.8680%0.795SS**  trans-144.9171.2-174.100000114.4
481G36.8Very low33Very low64 Ų64129.8 Ų129.866%0.6680%0.801SS**  trans-164.5113167.400000110.5
482V35.5Very low33.4Very low151 Ų151126.5 Ų126.592%0.91580%0.795SS**  66.4122.192.6177.40000113.2
483G32.1Very low32.9Very low76 Ų76126 Ų12678%0.78479%0.788SS**  cis121.4139.8-2.400000113.5
484G32.6Very low32.7Very low68 Ų68125.7 Ų125.770%0.70179%0.787SS**  cis173.3-169-3.300000113.9
485T31.5Very low31.9Very low131 Ų131130.1 Ų130.180%0.80479%0.791SS**  trans63.9124.3158.456.80000123.7
486T28.5Very low32Very low107 Ų107131.8 Ų131.866%0.65679%0.789SS**  trans51.2132.9136.260.10000123.3
487F32.3Very low32Very low199 Ų199129.8 Ų129.887%0.87379%0.787SS**  -179.6-177.9102.3-104.7-69.8000114.2
488N29.4Very low32Very low137 Ų137129.4 Ų129.473%0.73378%0.779SS**  trans-91170.7-166.1-102.7-36.5000115.7
489F27.4Very low32Very low188 Ų188132.6 Ų132.683%0.82578%0.777SS**  trans1.6130.1155.9-75.9-104.4000119
490L29.4Very low31.7Very low173 Ų173135.2 Ų135.291%0.90677%0.772SS**  -178.3141.1119.9-97.9163.2000113.2
491Q31.7Very low32.1Very low175 Ų175135.1 Ų135.182%0.81876%0.763SS**  trans-96.7168.7151.7-94.6-174.1-15.700108.1
492P39.9Very low31.9Very low103 Ų103140.1 Ų140.167%0.66977%0.769SS**  cis-133.5-160.9-26.833.4-11.8000111.6
493Q26.8Very low32.4Very low144 Ų144138.3 Ų138.367%0.67376%0.76SS**  trans63.8110.1159.4-60.2-68.85.600120.2
494N29.5Very low32.7Very low152 Ų152140 Ų14081%0.81376%0.757SS**  -172.1157.196.8-106.3-72.5000114.4
495Y25.1Very low32.6Very low203 Ų203143 Ų14380%0.79676%0.763SS**  trans-90.1166.3171.8-78.2-98.6000111.3
496P35.4Very low32.6Very low109 Ų109144.4 Ų144.471%0.70876%0.764SS**  -151.4156.395.739.2-22.3000116.9
497S31.4Very low33.1Very low106 Ų106144 Ų14474%0.74176%0.763SS**  trans67.1142.1157.518.50000119
498T34.1Very low33Very low119 Ų119140.8 Ų140.873%0.7375%0.754SS**  cis-151.6144.80.135.20000112.2
499I33.7Very low33Very low143 Ų143141.3 Ų141.373%0.73376%0.756SS**  trans68.7101.9154.9-62.7160.3000115.5
500F30.7Very low33Very low187 Ų187139.6 Ų139.682%0.8276%0.755SS**  66.4143.573.5-83.8-111.3000115.2
501P39.9Very low33.3Very low102 Ų102138.7 Ų138.766%0.66275%0.75SS**  cis-132.5-149.6-3238.3-16.3000109.5
502Q32.4Very low33.1Very low169 Ų169137.2 Ų137.279%0.7975%0.747SS**  cis-163.8141.3-7-145.9166-80.700111.1
503P46.3Very low33.1Very low113 Ų113136.7 Ų136.773%0.73474%0.744SS**  trans-110.6173.5147.538.5-31.5000110.6
504P39.4Very low33.7Very low111 Ų111137.7 Ų137.772%0.72175%0.749SS**  cis-127.7-142.5-2.642.2-24.2000112
505T30.3Very low33.9Very low132 Ų132137.8 Ų137.881%0.8175%0.749SS**  trans111.6143.215867.10000120.5
506I32.1Very low34.8Very low161 Ų161132.7 Ų132.783%0.82674%0.741SS**  trans-109139.4161.9-68.9168.4000103
507P39.1Very low35Very low99 Ų99136 Ų13664%0.64375%0.749SS**  -149.5-166.355.942.1-20.6000116.7
508D28.6Very low34.9Very low130 Ų130134 Ų13470%0.69575%0.745SS**  trans72111.6143.4-71.3-32.1000123.3
509L29.2Very low34.7Very low148 Ų148136.5 Ų136.578%0.77575%0.753SS**  62.1121.7120.4-66.5172.8000121.5
510L28.1Very low34.7Very low153 Ų153132.7 Ų132.780%0.80175%0.749SS**  72.3107129.9-15782000117.8
511I36.6Very low35Very low153 Ų153131.6 Ų131.679%0.78575%0.746SS**  -171.2113.9108.9-91.6155.3000109
512D27.2Very low34.7Very low144 Ų144131 Ų13177%0.7775%0.745SS**  trans-69.2143.9163.1-178.246.6000108.4
513P40.1Very low35Very low92 Ų92128.8 Ų128.860%0.59774%0.742SS**  -156.8176.892.742.5-22.8000117.5
514Q39Very low34.4Very low166 Ų166130.4 Ų130.478%0.77674%0.744SS**  trans90.273.4157.1-58.2-178.841.200119.2
515N32.5Very low34.2Very low154 Ų154130.4 Ų130.482%0.82474%0.742SS**  -48.6140.8119.5-121.1-42.5000108.9
516P45.3Very low34.4Very low96 Ų96129.8 Ų129.862%0.62374%0.74SS**  -158.9166.677.543.7-25.1000117.9
517M38Very low34.7Very low179 Ų179127.9 Ų127.988%0.88274%0.738SS**  trans65.2151.9160.7-47-147.1-60.800118.1
518G30.5Very low34.1Very low63 Ų63127.2 Ų127.265%0.64974%0.741SS**  cis137.9130-11.300000114.5
519L28.9Very low34Very low172 Ų172126.1 Ų126.190%0.90174%0.744SS**  trans70.8143.4168.1-51.1176.4000116.4
520G34.9Very low34.2Very low63 Ų63126.8 Ų126.865%0.64975%0.746SS**  trans136.752.4-157.600000110.6
521H37.1Very low34Very low164 Ų164123.1 Ų123.176%0.75974%0.738SS**  67.9129.490-67.3-60.1000112.8
522S33.8Very low33.7Very low90 Ų90123.4 Ų123.463%0.62974%0.74SS**  cis-171.51634.3-114.20000111.2
523V37.4Very low33.7Very low121 Ų121123.1 Ų123.173%0.73374%0.737SS**  trans69.8141.4154.3168.10000114.8
524L33.8Very low33.2Very low147 Ų147124 Ų12477%0.7775%0.746SS**  cis-142.2104.422.2-153.5140.4000108.1
525T36.1Very low32.8Very low112 Ų112120.1 Ų120.169%0.68774%0.742SS**  64.5151.5102.660.70000118.1
526P34.7Very low32.8Very low118 Ų118119.9 Ų119.977%0.76674%0.739SS**  trans-105-149.4-163.246.6-37.4000110.9
527P38.5Very low32.3Very low121 Ų121122.4 Ų122.479%0.78675%0.747SS**  cis-134.3-159.7-9.442.1-21.9000114.7
528A26.4Very low31.9Very low85 Ų85120.5 Ų120.570%0.70274%0.741SS**  trans-86.8178-175.800000116.2
529S25.1Very low32.3Very low108 Ų108123.2 Ų123.276%0.75575%0.747SS**  trans88.5164.2149.4-58.80000120.1
530I34.3Very low32.4Very low161 Ų161119.4 Ų119.483%0.82674%0.735SS**  trans76.4103.5177.3-50.4167.8000112.1
531A24.2Very low32.3Very low76 Ų76120.8 Ų120.863%0.62874%0.735SS**  cis77143.727.100000115.5
532L30.4Very low31.8Very low159 Ų159118 Ų11883%0.83273%0.734SS**  trans64.6155.9-172.8-73.293.8000115.4
533I26.6Very low31.6Very low138 Ų138118.7 Ų118.771%0.70874%0.738SS**  cis-162.9158-40.1-128.1169.7000106.9
534S29.1Very low31.2Very low112 Ų112122.1 Ų122.178%0.78374%0.744SS**  trans65.3147.5171.374.50000116.9
535A30.2Very low30.9Very low83 Ų83121 Ų12169%0.68674%0.743SS**  cis-165.3-171.2-18.500000109.2
536I32.6Very low30.4Very low149 Ų149120.6 Ų120.676%0.76475%0.745SS**  trans88.3120.2160.1-56.9168.5000115.9
537N35.9Very low30.3Very low149 Ų149122.8 Ų122.880%0.79775%0.749SS**  trans76.488.7159.5-65.4-4.9000121.2
538N30.4Very low29.7Very low139 Ų139127.1 Ų127.174%0.74375%0.751SS**  -17.8156.2114.7-100-42000115.6
539P37.1Very low30.2Very low120 Ų120127 Ų12778%0.77974%0.743SS**  cis-119.6169.828.441.3-30.2000114.2
540S32.4Very low30.5Very low93 Ų93126.2 Ų126.265%0.6573%0.733SS**  cis-156.5164.55.413.80000112.9
541S31.2Very low30.4Very low92 Ų92124.2 Ų124.264%0.64372%0.724SS**  trans-19.7135.2156.148.60000116.8
542S27.3Very low30.8Very low105 Ų105126.2 Ų126.273%0.73472%0.724SS**  cis75.7160.948.2880000115.6
543S30.7Very low30.8Very low104 Ų104126.7 Ų126.773%0.72772%0.721SS**  trans91.3100.6165.6-41.70000119
544F27.4Very low31Very low193 Ų193125.8 Ų125.885%0.84671%0.714SS**  trans-6.1149.8136.2-75.3-97.9000121
545T27.6Very low31.7Very low124 Ų124121.9 Ų121.976%0.76169%0.686SS**  trans68.8116.4142.849.70000121.9
546S27Very low31.7Very low104 Ų104120.4 Ų120.473%0.72767%0.667SS**  68102.7125.9-175.20000119.6
547I31.3Very low31.9Very low164 Ų164120.6 Ų120.684%0.84166%0.664SS**  -175150.8115.5-94.2152.7000109.7
548Y26.7Very low31.6Very low211 Ų211119 Ų11983%0.82766%0.656SS**  trans-61.6158.9172.9-97.5-111.1000111.6
549P37.5Very low31.7Very low83 Ų83122 Ų12254%0.53966%0.663SS.*  cis-155.3166.446.545-24.2000120.1
550T31.5Very low31.4Very low91 Ų91125.7 Ų125.756%0.55867%0.667SS**  trans45.9131.4141.357.90000123.9
551L30.5Very low31.5Very low119 Ų119126.9 Ų126.962%0.62367%0.672SS**  trans92.2144.4134.8-79.2164.8000121.3T275T275-L551 WeakPolarHBondContact CG2-O 3.34Å
552L33.4Very low31.7Very low119 Ų119128.6 Ų128.662%0.62368%0.679SS**  trans75.596.5159.6-70.2163.2000119.8
553H30.6Very low32.1Very low168 Ų168128.4 Ų128.478%0.77868%0.677SS**  -39.5154.5125.1-83.773.9000111
554Q31.5Very low32.1Very low119 Ų119128.3 Ų128.356%0.55668%0.677SS**  cis-154-123.646.2-146.1-162-6.100112.4Q272 T273Q272-Q554 VanDerWaalsContact C-C 3.48Å; Q272-Q554 CarbonylContact C-O 3.6Å; Q272-Q554 VanDerWaalsContact C-O 3.31Å; Q272-Q554 CarbonylContact O-C 3.57Å; Q272-Q554 PolarHBondContact O-N 3.24Å; T273-Q554 PolarHBondContact N-O 2.73Å; T273-Q554 PolarHBondContact OG1-O 2.95Å
555P42.6Very low32.4Very low30 Ų30125.2 Ų125.220%0.19567%0.674CS.*  -125.3-169.8-10831-9.4000117.3Q272Q272-P555 VanDerWaalsContact CG-O 3.28Å; Q272-P555 WeakPolarHBondContact CG-O 3.44Å
556N31.3Very low32.5Very low53 Ų53128.2 Ų128.228%0.28368%0.679SS.*  trans87.7125.6161.5-73.8-83.6000117.9T270T270-N556 WeakPolarHBondContact O-CB 3.44Å; T270-N556 PolarHBondContact O-ND2 3.43Å; T270-N556 PolarHBondContact OG1-ND2 3.43Å
557Q35.1Very low32.7Very low153 Ų153129 Ų12972%0.71568%0.684SS**  75.8136.161.6-74.7-168.535.300112.5
558N31.4Very low32.6Very low115 Ų115124.8 Ų124.862%0.61568%0.681SS**  cis-130.1160-2.6-82.5-48.5000108.1
559F30.8Very low33Very low203 Ų203120.8 Ų120.889%0.8968%0.681SS**  -150.7145.757.1-86.6-98.5000114
560F31Very low32.6Very low197 Ų197123.3 Ų123.386%0.86470%0.695SS**  trans-122.4175158.1-82.9-86000107.4
561P35.3Very low32.5Very low117 Ų117123.5 Ų123.576%0.7670%0.7SS**  cis-123.2169.2-40.536.2-22.6000111.4
562T35Very low32.5Very low129 Ų129128.1 Ų128.179%0.79171%0.711SS**  trans-122.3143.5-179.251.90000114.1
563S35.7Very low32.5Very low101 Ų101127.7 Ų127.771%0.70672%0.715SS**  trans47.9113.1152.956.70000119.1
564S31.6Very low32.3Very low102 Ų102130.4 Ų130.471%0.71372%0.72SS**  cis89.2149.65077.10000115.9
565T33.7Very low32.1Very low127 Ų127129.2 Ų129.278%0.77972%0.724SS**  trans66.676.6160.146.80000120.4
566H28.3Very low31.3Very low188 Ų188134.2 Ų134.287%0.8776%0.755SS**  59.985112.7-163.4-69.9000120.5
567S31.6Very low31.1Very low120 Ų120136.2 Ų136.284%0.83978%0.779SS**  trans-163.9148.5149.356.60000112.7
568G29.1Very low30.8Very low76 Ų76136.9 Ų136.978%0.78479%0.786SS**  trans94.5136.7167.100000117.2
569P34.6Very low31Very low126 Ų126135.8 Ų135.882%0.81879%0.793SS**  trans-101.6-160177.941.7-36.9000113.1
570V31.1Very low31Very low136 Ų136131.3 Ų131.382%0.82479%0.793SS**  trans89.9133.4-175.5-178.10000112.6
571S29.3Very low31.2Very low96 Ų96125.1 Ų125.167%0.67179%0.785SS**  cis164.7153.9-27-98.10000106
572Y30.2Very low31.2Very low216 Ų216125 Ų12585%0.84778%0.783SS**  trans2.6139.8163.7-65.3-86.9000121.9
573P32.4Very low31.2Very low109 Ų109126.5 Ų126.571%0.70878%0.78SS**SBendtrans-76.9153.7164.735.3-34.8000112.1
574Y27.2Very low31.2Very low225 Ų225128.2 Ų128.288%0.88278%0.781SS**SBendtrans62122.5159.7-102.6-97.1000119
575S26.5Very low31.4Very low94 Ų94129.5 Ų129.566%0.65778%0.784SS**  trans98.1130.2156.2-380000118.8
576T26.1Very low31.4Very low135 Ų135130.9 Ų130.983%0.82879%0.787SS**  trans62.7124.5151.748.50000122
577A27.7Very low31.7Very low95 Ų95125.2 Ų125.279%0.78577%0.772SS**  trans72.9113.4147.500000121.9
578L29.1Very low31.9Very low168 Ų168126.1 Ų126.188%0.8877%0.773SS**  trans-169.6143.5134.4-125.764.8000107
579A34.1Very low32.1Very low91 Ų91126.1 Ų126.175%0.75277%0.765SS**  cis83.5129.715.600000117
580A32.3Very low32.3Very low109 Ų109126.2 Ų126.290%0.90177%0.766SS**  trans-165.9147.1168.200000107.7
581G34.3Very low32.3Very low67 Ų67126.9 Ų126.969%0.69176%0.76SS**  cis-163.7-175-2.100000109.3
582T35.7Very low32.3Very low115 Ų115130.4 Ų130.471%0.70677%0.768SS**  cis-171176.6-6.916.20000108.9
583H35.3Very low32.1Very low161 Ų161123.6 Ų123.675%0.74576%0.757SS**  trans81.7146.7161.9-53-58.7000117.7
584L35.5Very low32.1Very low137 Ų137125 Ų12572%0.71776%0.763SS**  cis-163.6149.8-3.6-120.2170.4000112.2
585V36.2Very low31.9Very low129 Ų129119.1 Ų119.178%0.78276%0.755SS**  trans43.2142.7163.3-79.50000120.8
586N32.1Very low32.1Very low156 Ų156122 Ų12283%0.83476%0.762SS**  cis-154.9-150-10.8-164.113.1000105.5
587A34.4Very low32.9Very low68 Ų68122.2 Ų122.256%0.56276%0.763SS**  cis-160.3-175.3-6.300000106.3
588T36Very low33.3Very low140 Ų140122.7 Ų122.786%0.85976%0.758SS**  cis-151.5-154.30.7-250000108.7
589A33.7Very low33.3Very low75 Ų75119.3 Ų119.362%0.6275%0.754SS**  trans-149.3-179.6167.300000109.8
590P39.6Very low33.2Very low128 Ų128119.7 Ų119.783%0.83176%0.757SS**  cis-133.4-166.938.127.3-2.3000114.5
591Q30.3Very low33.1Very low151 Ų151120 Ų12071%0.70675%0.748SS**  -174.2162-57.2-110.5-159.413.500108.5
592M29.5Very low33Very low169 Ų169122.4 Ų122.483%0.83375%0.749SS**  trans65.9160.3164.7-69.5179.4-74.100117.9
593A26.1Very low32.7Very low74 Ų74124.2 Ų124.261%0.61276%0.755SS**  cis-170.7175.1-28.900000108.8
594T31.8Very low32.5Very low137 Ų137123.1 Ų123.184%0.8475%0.754SS**  trans65.1136.1177.861.50000114.6
595S24.3Very low32.9Very low102 Ų102121.4 Ų121.471%0.71375%0.751SS**  cis83.2135.941.8-162.90000113.8
596L29.6Very low32.7Very low154 Ų154121.4 Ų121.481%0.80675%0.746SS**  trans78.4126.6176.1-63157.4000119.2
597V42.6Very low32.5Very low140 Ų140120.8 Ų120.885%0.84874%0.74SS**  trans-120.5118.1149.9170.20000106
598P37.7Very low32.5Very low106 Ų106124.8 Ų124.869%0.68875%0.747SS**  -142.5146.4118.430.1-12.7000112.3
599A28.7Very low32.2Very low96 Ų96124.8 Ų124.879%0.79374%0.741SS**  cis86.4114.343.600000114.7
600A30.6Very low32Very low99 Ų99125.3 Ų125.382%0.81874%0.741SS**  trans-178.5143.7177.200000109.9
601V31.5Very low31.3Very low117 Ų117126 Ų12671%0.70974%0.738SS**  cis-149.4145.2-27.4-141.40000104.6
602T31.7Very low31.1Very low116 Ų116126.8 Ų126.871%0.71274%0.741SS**  -177.3150.97848.20000107.9
603N30.3Very low30.9Very low153 Ų153124.5 Ų124.582%0.81874%0.737SS**  cis-130.416919.7-86.8-62.1000113.6
604L31.1Very low30.8Very low139 Ų139125.1 Ų125.173%0.72874%0.737SS**  trans-95.1-174.6177.2-109.471000111.1
605P43.7Very low30.6Very low100 Ų100127.2 Ų127.265%0.64974%0.735SS**  cis-137.7160.97.836.5-16.6000118.5
606N30.5Very low30.8Very low129 Ų129129.1 Ų129.169%0.6973%0.734SS**  trans60.4150.8138.6-64.10.2000121.7
607M29.7Very low30.8Very low144 Ų144132 Ų13271%0.70974%0.74SS**  cis-164.1165.2-10.4-114.9170.677.500111.8
608H33.1Very low30Very low152 Ų152134.6 Ų134.670%0.70474%0.743SS**  trans7199.4151.3-107.1-108.9000123.2
609N30.5Very low29.6Very low139 Ų139135 Ų13574%0.74375%0.749SS**  27.4135.5111.9-104.23.2000123
610S28.6Very low29.5Very low86 Ų86133.5 Ų133.560%0.60174%0.742SS**  trans73.2123.4133.368.70000122.7
611N25.7Very low30Very low144 Ų144134.7 Ų134.777%0.7774%0.742SS**  trans78.2124.7137.9-63.517.2000122
612E25.7Very low30.1Very low166 Ų166133.9 Ų133.978%0.77674%0.738SS**  trans56.9110.5134.2-65-161.2139.400122.5
613T26Very low29.9Very low121 Ų121137 Ų13774%0.74275%0.745SS**  trans82.3142.3137.2690000121.4
614S24.2Very low30.1Very low87 Ų87133.3 Ų133.361%0.60874%0.743SS**  trans88.1149.9152.5-54.70000119.1
615F26.3Very low30Very low182 Ų182133 Ų13380%0.79875%0.746SS**  trans74123.2168.4-44.6-62.6000117.4
616M29.3Very low29.2Very low141 Ų141132.5 Ų132.570%0.69575%0.746SS**  cis-156152.1-17.3-89.7-155.4-146.300108.8
617F29.3Very low29.4Very low215 Ų215135.1 Ų135.194%0.94375%0.751SS**SBendtrans-161.781.8136-98.5-60.5000110.9
618Q25.5Very low29.4Very low195 Ų195134.8 Ų134.891%0.91175%0.751SS**  trans177.1100.5136.9-99.9173.43.700113
619S29.5Very low29.3Very low115 Ų115131.8 Ų131.880%0.80475%0.747SS**  -114.3158.9119.957.40000106
620G25.5Very low29.2Very low63 Ų63129.9 Ų129.965%0.64974%0.744SS**  cis157108.24.700000106.3
621P41.6Very low29.4Very low125 Ų125131.1 Ų131.181%0.81274%0.744SS**  trans-81-170.9-17439.5-40.2000110.3
622P34.4Very low29.6Very low99 Ų99133.4 Ų133.464%0.64375%0.748SS**  cis-139.8-164.48.123.64.9000115.8
623H26.7Very low29.8Very low183 Ų183129.5 Ų129.585%0.84774%0.744SS**  trans90.9123.2160.2-62-73.1000120.6
624G34.9Very low30.2Very low75 Ų75129.6 Ų129.677%0.77375%0.746SS**  trans-178.9133.8165.400000108.6
625T28.2Very low30.3Very low131 Ų131132.7 Ų132.780%0.80476%0.756SS**  trans-144.5165.7-166.350.70000114.3
626S27.9Very low30.8Very low91 Ų91130 Ų13064%0.63676%0.757SS**  trans91162161.979.40000119.5
627F33.9Very low30.8Very low183 Ų183127 Ų12780%0.80376%0.762SS**  trans69.885.7-168.1-52.2-70.5000114.7
628I31.3Very low30.8Very low137 Ų137125.3 Ų125.370%0.70376%0.757SS**  75.712859-56.7163.2000110.9
629S29.3Very low30.8Very low90 Ų90122.7 Ų122.763%0.62975%0.748SS**SBendcis-132.5156.219.3-150.60000111.5
630S30.2Very low30.9Very low98 Ų98126.1 Ų126.169%0.68575%0.749SS**  cis-143123.510.6-56.30000108.5
631N31.5Very low31.7Very low112 Ų112128.3 Ų128.360%0.59975%0.752SS**  87.6126.184.8-69-22.2000116
632F30.9Very low31.3Very low193 Ų193127.6 Ų127.685%0.84675%0.747SS**  trans64.8140.1164.7-60.7-60.8000117.5
633A29Very low31Very low83 Ų83127.9 Ų127.969%0.68675%0.751SS**  cis63.4136.7-3.500000119.2
634P34.4Very low31.3Very low123 Ų123127.8 Ų127.880%0.79975%0.751SS**  cis-135.5-164-4.942.3-22.6000114.8
635N27.3Very low31.1Very low153 Ų153132.1 Ų132.182%0.81875%0.749SS**  trans-40.7171.7158.5-90.1-28000116.6
636P36.7Very low31.5Very low126 Ų126131.7 Ų131.782%0.81875%0.748SS**  cis-134.9178.9-5.335.5-16.3000115.7
637G28.9Very low31.7Very low77 Ų77131.5 Ų131.579%0.79474%0.743SS**  trans178.6133.5160.500000115
638Q29Very low31.7Very low180 Ų180131.7 Ų131.784%0.84174%0.744SS**  trans-115.4164.4169-67.7-171.8-0.300110.7
639L25.6Very low32.2Very low139 Ų139130 Ų13073%0.72874%0.742SS**  trans69.2122.5172.8-48.7164.6000112.9
640F31Very low32.2Very low187 Ų187132 Ų13282%0.8275%0.745SS**  -163.1168.458.3-91.9-88.6000111.7
641P41.8Very low32Very low110 Ų110133.3 Ų133.371%0.71474%0.744SS**  trans-88.2-174173.341.3-35.3000111
642P34.5Very low31.9Very low109 Ų109136.7 Ų136.771%0.70875%0.754SS**  cis-142.8-166.716.343.6-22.5000117.1
643C27Very low31.7Very low105 Ų105134.8 Ų134.871%0.70975%0.748SS**  trans73.3140.8166.7-62.20000117.2
644Q33.2Very low31.6Very low182 Ų182136.4 Ų136.485%0.8575%0.749SS**  cis-150.4134.5-6.9-131.1161.9-42.800112
645F31.3Very low31.2Very low166 Ų166136 Ų13673%0.72874%0.74SS**  trans-88.6159.3168.7-99.8-83.2000109.5T647F645-T647 WeakPolarHBondContact CD1-OG1 3.18Å
646P37.3Very low31.2Very low121 Ų121134.5 Ų134.579%0.78673%0.732SS**  -127.3143.767.811.912000114.6
647T31.2Very low30.7Very low88 Ų88135.6 Ų135.654%0.5473%0.731SS.*  83114.450.8-52.30000109.6F645F645-T647 WeakPolarHBondContact CD1-OG1 3.18Å
648F33.7Very low30.5Very low186 Ų186137.2 Ų137.282%0.81673%0.729SS**  58.5166.469.8-79.7-67.8000112.1
649P41.6Very low30.3Very low103 Ų103134.7 Ų134.767%0.66972%0.721SS**  cis-135.5-165.418.548.1-29000113.1
650N30.4Very low30.4Very low131 Ų131133.4 Ų133.470%0.70172%0.719SS**  cis-148.8165.94.3-144.7-9.1000113.5
651L25.7Very low30.3Very low126 Ų126131.6 Ų131.666%0.6672%0.718SS**  trans-96.2170.8164.8-146.882.3000110
652F29.9Very low29.6Very low182 Ų182131.7 Ų131.780%0.79872%0.717SS**  -179.1173126-101.7-61.9000113.2
653Q26.3Very low29.4Very low153 Ų153135 Ų13572%0.71572%0.72SS**  trans-147.8160.5-175-56.8174.9-127.700109.4
654T26.4Very low29.5Very low117 Ų117136.8 Ų136.872%0.71872%0.721SS**  cis-125.2-119.30.6-30.90000109.9
655N25.6Very low29.3Very low115 Ų115133.3 Ų133.362%0.61572%0.717SS**  cis-155.2165.5-5.6-151.139.6000111.7
656D28Very low29.2Very low122 Ų122131 Ų13165%0.65272%0.721SS**  trans62.3130161.6-59.1-39.3000121.7
657N26.4Very low28.8Very low149 Ų149131.1 Ų131.180%0.79773%0.725SS**  trans83.3122.2152.4-63.3-39.9000122.8
658C23.6Very low28.7Very low110 Ų110134.1 Ų134.174%0.74374%0.737SS**  trans78.695.4143.3-67.50000122.9
659L26Very low29Very low128 Ų128131 Ų13167%0.6774%0.735SS**  69.5107.3122.7-66.6171.2000122.4
660T27.7Very low28.5Very low112 Ų112132.2 Ų132.269%0.68774%0.741SS**  trans69.1120.2132.6540000122.8
661N28.1Very low28.5Very low148 Ų148133.2 Ų133.279%0.79175%0.746SS**  trans55.5124.5144-62.8-0.3000120.9
662T28.4Very low28.7Very low113 Ų113134.4 Ų134.469%0.69375%0.752SS**  174.4114.7115.8-79.10000114.3
663F29.4Very low28.8Very low177 Ų177131.1 Ų131.178%0.77675%0.748SS**  trans61.9140.8145.2-76.6-116.8000125.2
664I30.1Very low29.1Very low144 Ų144128.2 Ų128.274%0.73874%0.744SS**  trans79.5118.5144.5-72.1166.1000121.7
665S28.1Very low29.5Very low109 Ų109125.7 Ų125.776%0.76273%0.729SS**  trans22.5154.6135.2-34.80000121.7
666S28.5Very low29.8Very low117 Ų117122.8 Ų122.882%0.81872%0.717SS**  cis-161.5175.815.751.10000111.3
667S29.9Very low30Very low124 Ų124123.1 Ų123.187%0.86772%0.719SS**  trans-144.1157.6158.859.30000113.1
668L29.8Very low30.5Very low151 Ų151120.8 Ų120.879%0.79171%0.71SS**  trans-134.1143.7-173.2-168.777000108.6
669P38.1Very low30.8Very low120 Ų120124.5 Ų124.578%0.77971%0.713SS**  trans-83.1158.6176.833.5-35.2000113.1
670T32.8Very low31Very low129 Ų129124.2 Ų124.279%0.79172%0.722SS**  trans-145.3146.9-175.752.60000112.5
671D29.6Very low31.3Very low151 Ų151124 Ų12481%0.80773%0.725SS**  trans-159.3149.1165.9-95.8-34.1000106.3
672L31Very low31.6Very low151 Ų151124.3 Ų124.379%0.79173%0.726SS**  cis-149.2-172.37.8-108.1160.2000110
673T31.2Very low31.5Very low114 Ų114124.6 Ų124.670%0.69972%0.723SS**  trans-138152.6-172.260.90000116.2
674S33.2Very low31.6Very low91 Ų91123.1 Ų123.164%0.63672%0.721SS**  trans-166.3177.9160.762.20000113.5Q417Q417-S674 PolarHBondContact NE2-O 2.83Å; Q417-S674 PolarHBondContact OE1-O 3.31Å; Q417-S674 VanDerWaalsContact OE1-O 3.07Å
675T33.6Very low31.5Very low65 Ų65123.4 Ų123.440%0.39972%0.723SS.*  -139.2-178.2-99.857.20000115.4Q417 A418 I419Q417-T675 HydrophobicContact CB-CG2 3.62Å; Q417-T675 HydrophobicContact CG-CG2 4.08Å; Q417-T675 WeakPolarHBondContact O-CB 3.37Å; A418-T675 HydrophobicContact CB-CG2 4.47Å; I419-T675 HydrophobicContact CD1-CG2 3.57Å; I419-T675 HydrophobicContact CG1-CG2 3.94Å
676C32.8Very low31.7Very low54 Ų54122 Ų12237%0.36573%0.726SS.*  trans-128164.9-154-150.70000118.2N416 Q417N416-C676 HydrophobicContact CB-CB 3.62Å; N416-C676 VanDerWaalsContact CB-SG 3.57Å; Q417-C676 HydrophobicContact CB-CB 4.21Å; Q417-C676 WeakPolarHBondContact O-CA 3.28Å; Q417-C676 VanDerWaalsContact O-CB 3.22Å; Q417-C676 WeakPolarHBondContact O-CB 3.44Å; Q417-C676 PolarHBondContact O-N 2.97Å
677D32.7Very low31.7Very low129 Ų129122 Ų12269%0.6973%0.726SS**  167.4135.1109.4-117.6-4.3000120
678T35.8Very low31.7Very low99 Ų99122.8 Ų122.861%0.60772%0.721SS**  trans37.2136.5153.171.50000129.5
679K30Very low32Very low189 Ų189123.2 Ų123.282%0.82272%0.723SS**  120.5139.1111-105.3163.6-170.91650124.6
680S30.3Very low31.8Very low121 Ų121121.5 Ų121.585%0.84673%0.727SS**  trans75.2149.2168.376.80000117.7
681S34.7Very low31.8Very low109 Ų109119 Ų11976%0.76273%0.727SS**  cis-14616113.765.80000116.9
682L32.9Very low32Very low154 Ų154117.7 Ų117.781%0.80672%0.72SS**  trans-31.4136.1154.7-62.5164.8000114.3
683N26.9Very low32.2Very low118 Ų118114.6 Ų114.663%0.63172%0.724SS**  78.4114.365.4178.841.4000115.8
684M30.9Very low32.3Very low147 Ų147112.1 Ų112.172%0.72472%0.721SS**  176.2129.7127.7-94.8-61.9-176.600114.7
685N29.4Very low32.2Very low149 Ų149113.7 Ų113.780%0.79773%0.727SS**  trans23.4139.1146.1-60.4-11.7000123.6
686G30.9Very low31.8Very low79 Ų79116 Ų11681%0.81475%0.745SS**  trans-179.689.5158.400000115.9
687S30.3Very low31.6Very low117 Ų117120.7 Ų120.782%0.81877%0.765SS**  trans-57.5166175.7-37.20000113.7
688N29.5Very low31.3Very low141 Ų141119 Ų11975%0.75476%0.764SS**  cis-168.8177.726.8-151.7-9.4000112.9
689L36.3Very low31Very low160 Ų160119.3 Ų119.384%0.83877%0.766SS**  trans70.1117.8155.5-64.8161000120.9
690G32.9Very low31Very low85 Ų85119.9 Ų119.988%0.87676%0.764SS**  trans124.8112.8130.900000119.4
691G33.2Very low30.8Very low76 Ų76124.7 Ų124.778%0.78476%0.764SS**  trans110.879.6146.300000119.6
692N34.1Very low30.9Very low124 Ų124124.1 Ų124.166%0.66376%0.758SS**  trans46.8107.6151.1-70.25.3000122T719N692-T719 WeakPolarHBondContact ND2-CG2 3.23Å
693G34Very low30.6Very low85 Ų85126.8 Ų126.888%0.87676%0.758SS**  85.3119.3123.900000117.5
694G33.4Very low30.5Very low62 Ų62126.9 Ų126.964%0.63976%0.763SS**  cis116.662.612.700000110.7
695T31Very low30.2Very low124 Ų124124.1 Ų124.176%0.76176%0.758SS**  70.8121.690.962.30000115.3
696C26.2Very low30Very low114 Ų114119 Ų11977%0.7773%0.734SS**  55.4150.7126.9-49.10000119.6
697L27.7Very low30Very low152 Ų152121.7 Ų121.780%0.79673%0.73SS**  cis-169.8155.426.1-141.1153000110
698S28Very low29.9Very low93 Ų93119.8 Ų119.865%0.6571%0.711SS**  trans74.3148152.6-126.40000118.2
699T28.7Very low29.9Very low107 Ų107119.8 Ų119.866%0.65671%0.71SS**  cis-157.2167.63.9-24.40000112.5
700Y29.2Very low29.8Very low201 Ų201117.8 Ų117.879%0.78870%0.699SS**  trans76.193.4156.7-80.6-69.8000121.9
701W26.4Very low29.7Very low222 Ų222117.3 Ų117.384%0.84168%0.676SS**  10.1154.5114.7-64.182.1000120.2
702P37.8Very low29.9Very low97 Ų97117.6 Ų117.663%0.6366%0.664SS**  cis-151.5-169.3-30.643-23.8000116.8
703Y25.3Very low29.8Very low209 Ų209117.5 Ų117.582%0.8267%0.668SS**  trans97.3112.1147.2-111-113000121.3
704V25Very low29.7Very low121 Ų121118 Ų11873%0.73366%0.658SS**  trans82.4122.6145.8169.10000121.5
705S24.6Very low29.5Very low88 Ų88122.2 Ų122.262%0.61566%0.664SS**  trans68147158.6-148.10000120.5
706S26.1Very low29.2Very low41 Ų41122.3 Ų122.329%0.28766%0.664SS.*  trans61.898.1152.1-56.80000118.7T969 D970S706-T969 CarbonylContact C-O 3.6Å; S706-T969 WeakPolarHBondContact CA-O 3.45Å; S706-D970 WeakPolarHBondContact CB-O 3.33Å; S706-D970 PolarHBondContact OG-O 3.39Å
707N30.6Very low29.4Very low137 Ų137126.2 Ų126.273%0.73367%0.671SS**  171.7107.4129.9-86.4-41.5000109.3L709 T969N707-L709 PolarHBondContact O-N 3.23Å; N707-T969 WeakPolarHBondContact CA-O 3.38Å; N707-T969 PolarHBondContact N-O 3.06Å; N707-T969 PolarHBondContact OD1-O 3.5Å
708D27.8Very low29.3Very low77 Ų77122.2 Ų122.241%0.41266%0.66SS.*  trans-67.6114.8157-59.9-70.6000108.1I967 S968 T969D708-I967 HydrophobicContact CB-CB 3.66Å; D708-I967 HydrophobicContact CB-CD1 4.22Å; D708-I967 HydrophobicContact CB-CG2 3.43Å; D708-I967 VanDerWaalsContact CB-CG2 3.43Å; D708-I967 CarbonylContact O-C 3.48Å; D708-S968 WeakPolarHBondContact CA-O 3.21Å; D708-S968 VanDerWaalsContact CB-O 3.26Å; D708-S968 WeakPolarHBondContact CB-O 3.37Å; D708-S968 PolarHBondContact N-O 3.2Å; D708-S968 PolarHBondContact O-N 2.68Å; D708-T969 WeakPolarHBondContact OD2-CG2 3.43Å; D708-T969 PolarHBondContact OD2-OG1 3.48Å
709L30.6Very low29.3Very low140 Ų140122.6 Ų122.673%0.73366%0.659SS**  trans-143.894.2163.1-152.785000110.2N707N707-L709 PolarHBondContact O-N 3.23Å
710I34Very low29.2Very low119 Ų119124 Ų12461%0.6166%0.662SS**  trans-131.9106171.2-63.2-176.2000109.6P712 I967I710-P712 HydrophobicContact CG2-CG 4.09Å; I710-I967 HydrophobicContact CB-CD1 4.02Å
711N29.9Very low29.1Very low75 Ų75119.3 Ų119.340%0.40166%0.659SS.*  trans-132.3118.4133.5-170.683.6000109N965N711-N965 HydrophobicContact CB-CB 3.46Å; N711-N965 VanDerWaalsContact CB-CB 3.46Å; N711-N965 PolarHBondContact OD1-ND2 2.8Å
712P37.3Very low29.5Very low81 Ų81114.2 Ų114.253%0.52665%0.653SS.*  trans-104.9-152.1-17738.5-26.3000110.5I710I710-P712 HydrophobicContact CG2-CG 4.09Å
713T32.2Very low29.3Very low123 Ų123117.4 Ų117.476%0.75566%0.659SS**  trans78.4137.5172.184.40000114.1
714S31.7Very low29.6Very low95 Ų95115 Ų11566%0.66466%0.655SS**  cis-145.8147.88.9-55.50000114
715I29.9Very low29.7Very low150 Ų150114.5 Ų114.577%0.76965%0.653SS**  45.7108.8127-61.6170.1000116.9
716V25.5Very low29.9Very low126 Ų126117.5 Ų117.576%0.76466%0.662SS**  64.5103.469.1179.10000114.8
717Q28.7Very low29.9Very low196 Ų196124.1 Ų124.192%0.91669%0.686SS**  -164.7176.1118.2-127.2167.7-15.900111.2
718A25.9Very low29.8Very low68 Ų68124 Ų12456%0.56268%0.684SS**  trans-146.2168.9-167.300000114
719T27.3Very low29.8Very low102 Ų102128 Ų12863%0.62670%0.7SS**  trans77.2148.3168.877.80000116.1N692N692-T719 WeakPolarHBondContact ND2-CG2 3.23Å
720N28.6Very low29.5Very low135 Ų135125.8 Ų125.872%0.72270%0.697SS**  cis-157.7162.2-0.3-136-19000114.3
721S26.1Very low29.3Very low103 Ų103125.7 Ų125.772%0.7270%0.701SS**  trans60.1146.516163.50000117.6
722T34.8Very low29.4Very low116 Ų116128.3 Ų128.371%0.71272%0.715SS**  cis-147.116035.945.50000113.5
723H34.1Very low28.9Very low164 Ų164130.4 Ų130.476%0.75972%0.722SS**  trans22.8154.6156-65.3-84.2000122.1
724Q31.7Very low28.9Very low157 Ų157129.9 Ų129.973%0.73472%0.715SS**  cis171.5154.5-20.8-165.5167.8-800104.3
725T26Very low28.7Very low112 Ų112130.9 Ų130.969%0.68771%0.713SS**  trans-38.6136.5176.2510000117.9
726D29.3Very low28.7Very low150 Ų150129 Ų12980%0.80270%0.704SS**  -160.2131.9108.6-87.6-24.8000108.5
727F27Very low29Very low181 Ų181130.9 Ų130.979%0.79471%0.71SS**  82.4115.769.5-126-111.2000114.7
728L27.1Very low29.2Very low135 Ų135127.6 Ų127.671%0.70770%0.698SS**  trans85.7148.2164.4-55-179.2000121.9
729Q28Very low29.5Very low160 Ų160130 Ų13075%0.74870%0.701SS**  trans74.8111.3144.9-103.938.220.500121.1
730S25.3Very low29.9Very low93 Ų93130.2 Ų130.265%0.6570%0.699SS**  101.6108.6107.6175.50000120
731V28.7Very low30.1Very low117 Ų117133.5 Ų133.571%0.70970%0.701SS**  trans79.3145.7131.9171.90000118.2
732N32Very low30.4Very low130 Ų130133.2 Ų133.270%0.69570%0.699SS**  trans69.9120.3169.9-80.9-6.1000115.4
733N27.6Very low30.4Very low126 Ų126136 Ų13667%0.67470%0.702SS**  cis62.5135.529.9-158.829000113.1
734N31.8Very low30.3Very low112 Ų112134.5 Ų134.560%0.59970%0.696SS**  trans68.3150.1176-57.9-40.1000117.1
735N28.2Very low30.5Very low116 Ų116132.9 Ų132.962%0.6269%0.692SS**  cis-173.1165.6-36.3-113.2-9.7000109.1
736N28.7Very low30.8Very low109 Ų109133.5 Ų133.558%0.58369%0.692SS**  trans38129.3140.4-49.6-11.7000119.6L738N736-L738 WeakPolarHBondContact O-CD1 3.39Å; N736-L738 WeakPolarHBondContact O-CG 3.48Å; N736-L738 PolarHBondContact O-N 3.28Å
737N32Very low31.2Very low167 Ų167132.2 Ų132.289%0.89369%0.689SS**  -65.4112.2125.8-81.2-13.3000105.8
738L33.4Very low31.5Very low127 Ų127129.6 Ų129.667%0.66568%0.683SS**  cis53.1112.645.7-63.1168.4000110.5N736N736-L738 WeakPolarHBondContact O-CD1 3.39Å; N736-L738 WeakPolarHBondContact O-CG 3.48Å; N736-L738 PolarHBondContact O-N 3.28Å
739N32.8Very low32Very low118 Ų118127.7 Ų127.763%0.63168%0.677SS**  cis-161.1173.3-0.7-148.324000113
740D34.9Very low32.4Very low107 Ų107126.5 Ų126.557%0.57268%0.676SS**  trans69.4138.7149.5-80.4-46.6000117.8
741R32.1Very low33Very low203 Ų203128.4 Ų128.477%0.76668%0.679SS**  cis-171146.7-4.6-150.3172-147-171.9-2.1112.3
742S33.5Very low33.3Very low97 Ų97128 Ų12868%0.67868%0.682SS**  trans58.1155.2147.751.20000118.8
743K34.7Very low33.3Very low176 Ų176125.4 Ų125.477%0.76569%0.685SS**  cis-170.1168.1-4.9-105.8172161.7-166.90103.3
744M31.9Very low33.4Very low132 Ų132127.1 Ų127.165%0.6569%0.692SS**  cis-166.2163.18.4-128.1157.7151.900106.7
745N35.9Very low33.3Very low122 Ų122128.8 Ų128.865%0.65270%0.701SS**  trans67.1152.1155.3-6531.9000116.8
746D32.3Very low33.4Very low125 Ų125129.6 Ų129.667%0.66871%0.705SS**  cis-158.5168.7-10.1-120.8-35.9000111.4
747V37.4Very low33.5Very low124 Ų124130.3 Ų130.375%0.75271%0.713SS**  trans55.3124.8147.9167.30000118.2
748N33.4Very low33.6Very low126 Ų126130.5 Ų130.567%0.67471%0.709SS**  cis167.9170.98.1-176.829.3000107.6
749T37.6Very low33.6Very low94 Ų94131 Ų13158%0.57771%0.712SS**  trans65.8111152.533.80000121.3
750D36.1Very low33.9Very low135 Ų135132.5 Ų132.572%0.72272%0.718SS**  trans81.1136.9132.1-54.8-11.9000120.3
751N38.2Very low34Very low133 Ų133134 Ų13471%0.71173%0.727SS**  cis-145.7151.76.3-137.8-32.2000114.1
752S35.8Very low34Very low110 Ų110132.2 Ų132.277%0.76973%0.732SS**  trans22.6144158.658.70000122.4
753G31.6Very low34Very low74 Ų74130.4 Ų130.476%0.76373%0.729SS**  cis159.1129.8-0.700000112
754I28Very low33.8Very low162 Ų162128.6 Ų128.683%0.83173%0.733SS**  trans-86.8175.9167.5-67.3170.3000108.2
755L30.5Very low33.7Very low148 Ų148127.9 Ų127.978%0.77574%0.736SS**  trans86.3146.2179.4-47.1173.2000112.8
756N31.5Very low33.4Very low132 Ų132127.6 Ų127.671%0.70674%0.739SS**  cis-153.2160.71.2-127.9-6.7000112.7
757V29.9Very low33.1Very low125 Ų125127.1 Ų127.176%0.75874%0.74SS**  trans3.4109.2153.8-174.30000117.8
758E33.4Very low32.8Very low171 Ų171126.7 Ų126.780%0.79974%0.738SS**  -170.6148.5119.9-112-176.7-164.300113.6
759N33.3Very low32.4Very low138 Ų138126.6 Ų126.674%0.73874%0.742SS**SBendtrans68.1115.9166.3-70-56.4000121.5
760I39.3Very low31.9Very low148 Ų148129.3 Ų129.376%0.75975%0.752SS**  trans86.191.5155.5-52.3168.5000118.2
761N37.1Very low31.3Very low140 Ų140127.8 Ų127.875%0.74975%0.748SS**  trans64.8111.1139.7-55.78.7000122.5
762D33.4Very low30.7Very low165 Ų165128.7 Ų128.788%0.88275%0.751SS**  9.4147.6127.1-41.2-34.1000119.8
763G31.6Very low30.3Very low59 Ų59130 Ų13061%0.60875%0.749SS**  cis158.2174.33.300000111.2
764T32.2Very low30.5Very low137 Ų137132.3 Ų132.384%0.8475%0.751SS**  trans65.2137.2-179.363.10000115.1
765T28.5Very low30.4Very low117 Ų117131.3 Ų131.372%0.71875%0.746SS**  cis103.8148.818.765.90000116.1
766T29.7Very low30.5Very low116 Ų116129.7 Ų129.771%0.71274%0.743SS**  trans73.5107.8147.838.10000122.5
767T27.2Very low30.6Very low115 Ų115131.7 Ų131.771%0.70675%0.748SS**  48.6152.2119.957.70000124.1
768T30.1Very low30.5Very low116 Ų116129.7 Ų129.771%0.71275%0.745SS**  trans66.6129.7155.341.30000116.9
769T25.1Very low30.9Very low123 Ų123127.3 Ų127.376%0.75574%0.744SS**  cis69.8138.144.4-33.60000113.5
770I26.8Very low30.7Very low151 Ų151127.6 Ų127.677%0.77474%0.744SS**  trans79.1147.9173.9-53.6-178.7000115.2
771T23.6Very low30.5Very low104 Ų104127 Ų12764%0.63874%0.742SS**  cis-174.4134.7-36.3-80.90000108.6
772I26.9Very low30.3Very low151 Ų151125 Ų12577%0.77474%0.739SS**  trans65.4139.2161.6-70.3166.7000120.1
773N25.9Very low30.3Very low137 Ų137121.7 Ų121.773%0.73373%0.729SS**  trans-3.4145.9153.3-73.4-1.5000119.7
774P35.6Very low30.5Very low124 Ų124125.3 Ų125.381%0.80573%0.733SS**  -144.8179.154.941.6-23.4000118.4
775L27.3Very low30.6Very low140 Ų140125.3 Ų125.373%0.73373%0.728SS**  trans-67.3145.1170-64.671.5000111
776T32.8Very low30.4Very low115 Ų115123.8 Ų123.871%0.70672%0.722SS**  167.9149.6106.1380000112.5
777H32.1Very low30.2Very low173 Ų173124.1 Ų124.180%0.80172%0.724SS**  trans53.6111.8169.9-54.2-64.7000117.7
778A29.1Very low30.5Very low84 Ų84125 Ų12569%0.69472%0.724SS**  60.7127.756.800000112.9
779P40.6Very low30.3Very low120 Ų120124.7 Ų124.778%0.77972%0.721SS**  -118.5148.756.14.519000115
780I29.7Very low30.6Very low144 Ų144124.5 Ų124.574%0.73872%0.72SS**  66.185.779-50.2164.6000115
781N34.9Very low31.1Very low137 Ų137123.9 Ų123.973%0.73372%0.717SS**  -170.6125.6109.1-103.2-56.3000107.8
782S33Very low31.7Very low97 Ų97125.3 Ų125.368%0.67872%0.721SS**  61.6143.189.887.10000113.6
783S34.6Very low32.1Very low95 Ų95124.2 Ų124.266%0.66472%0.721SS**  cis-150.7137.81990.30000110.6
784I34.7Very low32.4Very low136 Ų136121.5 Ų121.570%0.69772%0.718SS**  84.3141.889.5-70.7176.2000114
785N33.8Very low32.2Very low137 Ų137121.3 Ų121.373%0.73372%0.715SS**  trans67.4132174.2-64.3-13.4000115.8
786S25.2Very low32.3Very low84 Ų84119.9 Ų119.959%0.58771%0.712SS**  cis75.8144.235.489.20000114.7
787T25.6Very low32.1Very low124 Ų124120 Ų12076%0.76171%0.713SS**  trans62.4162.5172.651.80000114.2
788L33.1Very low31.9Very low134 Ų134118.9 Ų118.970%0.70271%0.713SS**  cis-153.512319-162.767.3000111
789T25.9Very low31.9Very low108 Ų108121.5 Ų121.566%0.66371%0.713SS**  trans52.2177.8144.866.80000122.7
790T32.3Very low31.4Very low119 Ų119121.9 Ų121.973%0.7371%0.714SS**  trans72125.5151.825.80000116.2
791I37.1Very low31.4Very low138 Ų138120 Ų12071%0.70871%0.713SS**  cis-142.2144.319.1-75.9-176.2000111.3
792N35.5Very low31.2Very low135 Ų135116.7 Ų116.772%0.72271%0.705SS**  trans18.7153.3142.5-46.8-7.9000121.2
793T34.8Very low31Very low127 Ų127119.3 Ų119.378%0.77971%0.711SS**  cis-163.9136.67.92.40000113.5
794A32Very low30.8Very low80 Ų80120.6 Ų120.666%0.66171%0.71SS**  40.7132.5125.500000125.3
795T32.7Very low30.7Very low121 Ų121121 Ų12174%0.74271%0.714SS**  trans66.698.7130.655.50000123.4
796T29.2Very low30.5Very low109 Ų109118.2 Ų118.267%0.66972%0.717SS**  40118.9111.456.80000122.6
797T29Very low30.9Very low119 Ų119118.9 Ų118.973%0.7372%0.722SS**  73.6119.8129.264.10000123
798N27.9Very low31.3Very low149 Ų149118 Ų11880%0.79771%0.709SS**  114.6142.4112.2-99.5-8.7000123
799I29.4Very low31.4Very low138 Ų138116.8 Ų116.871%0.70870%0.703SS**  trans64.8115.2160.31.9178000123.1
800T29.4Very low31.8Very low129 Ų129119.6 Ų119.679%0.79171%0.706SS**  trans62.8149.1140.543.10000121.6
801S28.8Very low31.8Very low104 Ų104121 Ų12173%0.72771%0.709SS**  cis-168.1152-3.746.80000114.5
802A30.8Very low31.6Very low68 Ų68120.5 Ų120.556%0.56271%0.708SS**  trans72.1116.3141.200000122.4
803L29.5Very low31.5Very low152 Ų152121.7 Ų121.780%0.79671%0.713SS**  trans69.5146.7165.7-76.575.2000115.3
804D29.6Very low31.6Very low122 Ų122120.7 Ų120.765%0.65271%0.708SS**  cis-146.116610.2-156.95.9000113.1
805N32.1Very low31.3Very low144 Ų144124 Ų12477%0.7771%0.714SS**  trans47.9120.1165.1-65.8-57.9000120.8
806G30.7Very low31Very low78 Ų78120.7 Ų120.780%0.80469%0.692SS**  trans153.2103.3154.400000118.1
807S32.4Very low30.9Very low99 Ų99119.9 Ų119.969%0.69269%0.691SS**  trans61.499.4151.7-147.20000121.6
808H36Very low30.9Very low106 Ų106119.4 Ų119.449%0.49169%0.692SS.*  trans66.7137.8132.1-51.6-25.2000123.6I1037H808-I1037 HydrophobicContact CB-CD1 3.96Å; H808-I1037 WeakPolarHBondContact CE1-CG2 3.24Å
809N33.3Very low31Very low107 Ų107118.5 Ų118.557%0.57269%0.692SS**  trans-81.1137.8174.3-77.7-49.3000110.5T1036N809-T1036 WeakPolarHBondContact O-CG2 3.23Å
810K34.8Very low31Very low168 Ų168118.6 Ų118.673%0.7370%0.699SS**  64.3131.167.9-64.5179.9-178.4173.90114.8
811N33.4Very low31.1Very low147 Ų147118.7 Ų118.779%0.78670%0.699SS**  cis-163.1167.5-11.7-118.14.7000113
812N32.8Very low31Very low128 Ų128120.9 Ų120.968%0.68470%0.702SS**  trans-58.2150.8176.9-69-9.2000114.2
813I31.8Very low31.2Very low160 Ų160123.8 Ų123.882%0.82172%0.715SS**  71.3136.462-79.3172.9000112.8
814P37.7Very low31Very low106 Ų106120.3 Ų120.369%0.68871%0.708SS**  trans-120.5-173-131.143.7-34.2000117
815L26.9Very low31.1Very low150 Ų150121.1 Ų121.179%0.78571%0.711SS**  trans73.9136.8-176.4-55.1166.1000113
816N26.5Very low31.1Very low52 Ų52124.6 Ų124.628%0.27871%0.714SS.*  cis-145.7-178.3-3.483.4-32000111.7I337 T338 T339I337-N816 WeakPolarHBondContact CG1-OD1 3.25Å; I337-N816 HydrophobicContact CG2-CB 4.37Å; I337-N816 WeakPolarHBondContact CG2-OD1 3.27Å; T338-N816 PolarHBondContact O-ND2 3.08Å; T338-N816 PolarHBondContact O-OD1 2.86Å; T339-N816 PolarHBondContact O-ND2 2.73Å; T339-N816 VanDerWaalsContact O-ND2 3.12Å
817S26.4Very low31.2Very low91 Ų91131.5 Ų131.564%0.63672%0.715SS**  trans118.9149.7150.9-67.10000118.8
818S29.1Very low31.2Very low110 Ų110136.7 Ų136.777%0.76972%0.72SS**  trans-52.8122.6-161.7-49.10000120.1
819T29.8Very low31.2Very low129 Ų129140.4 Ų140.479%0.79173%0.729SS**  trans37.5108.1132.558.80000121.7
820V28.9Very low31.3Very low140 Ų140141.6 Ų141.685%0.84873%0.726SS**  -148.6161.3124.5-75.50000107.7
821V31.7Very low31Very low131 Ų131139.7 Ų139.779%0.79472%0.723SS**  cis-131.7-158.26.4-1390000110.3
822L27.9Very low31Very low151 Ų151139.9 Ų139.979%0.79172%0.717SS**  trans-124170.1166.4-68.182.8000110.4
823P33Very low30.9Very low129 Ų129137.9 Ų137.984%0.83872%0.718SS**  -141.3113.894.935.3-19.9000116.7
824A27Very low30.9Very low79 Ų79138.3 Ų138.365%0.65372%0.717SS**  trans63.6147.4132.100000124.5
825I30.4Very low30.7Very low139 Ų139139.3 Ų139.371%0.71372%0.717SS**  trans104.2110153.1-53.8-174000119.5
826R32.7Very low30.8Very low217 Ų217135.8 Ų135.882%0.81972%0.716SS**  trans71.5107.5150.8-76.4175.4172.3112.5-3.5124.1
827R32.2Very low31.1Very low222 Ų222141.4 Ų141.484%0.83875%0.745SS**  49.4120.6118.9-74.2-174.7172.3176.6-1.6123.2
828R33.2Very low31.3Very low208 Ų208144.8 Ų144.879%0.78575%0.748SS**  trans76.8120.8133.9-74.5-173.4171-173.2-2.6122.1
829R35.3Very low31.5Very low185 Ų185145.9 Ų145.970%0.69875%0.752SS**  trans65.3157.8151.2-66.1-177.2174.9-179.8-2.7114.9E1210R829-E1210 IonicContact NH1-OE2 3.78Å
830R35.3Very low31.6Very low131 Ų131146.1 Ų146.149%0.49475%0.747SS.*  cis-158.1155.5-1.7-135.8-176.5177.5151-4109.3I1208 E1210R830-I1208 VanDerWaalsContact NH1-CG2 3.3Å; R830-E1210 IonicContact NH1-OE2 3.61Å
831L30Very low31.7Very low128 Ų128145.9 Ų145.967%0.6775%0.747SS**  trans67.3156.9161.2-56.9172.3000115.3
832F31.9Very low31.6Very low152 Ų152146.8 Ų146.867%0.66775%0.747SS**  cis-134.1176.536.7-107-94.4000116.1H1206F832-H1206 AromaticContact CE2-CD2 3.41Å; F832-H1206 VanDerWaalsContact CE2-CD2 3.41Å; F832-H1206 WeakPolarHBondContact CE2-CD2 3.27Å; F832-H1206 AromaticContact CE2-CE1 3.97Å; F832-H1206 AromaticContact CE2-CG 3.97Å; F832-H1206 AromaticContact CE2-NE2 3.39Å; F832-H1206 WeakPolarHBondContact CE2-NE2 3.4Å; F832-H1206 AromaticContact CZ-CD2 3.36Å; F832-H1206 WeakPolarHBondContact CZ-CD2 3.43Å; F832-H1206 AromaticContact CZ-NE2 3.59Å
833A30.5Very low31.8Very low86 Ų86144.8 Ų144.871%0.71174%0.741SS**  trans-145.1148.917600000112.4
834Q33.4Very low31.7Very low168 Ų168145.7 Ų145.779%0.78574%0.737SS**  trans-171.5145.3164.1-82.3-145.8-8.800107.6
835N33Very low31.9Very low128 Ų128149.6 Ų149.668%0.68474%0.742SS**  cis-155.9152.7-4.9-84.7-29.2000111.3
836G28.5Very low31.7Very low76 Ų76148.1 Ų148.178%0.78474%0.744SS**  trans75.5156.414400000119.1
837I32.7Very low32Very low169 Ų169143.7 Ų143.787%0.86774%0.743SS**  cis-141.1156.30.4-64-178.9000109
838K30.4Very low31.9Very low163 Ų163141.9 Ų141.971%0.70974%0.742SS**  trans-84.3170.5177.8-58.8-176.5-179.2-179.60112.9I840K838-I840 HydrophobicContact CD-CD1 4.01Å; K838-I840 HydrophobicContact CD-CG1 4.01Å
839P33.5Very low31.8Very low133 Ų133138.7 Ų138.786%0.86474%0.74SS**  -127.6175.2103.437.3-33000114.2
840I31.2Very low31.5Very low133 Ų133135.6 Ų135.668%0.68274%0.737SS**  trans-119.8147.9-175.9-65.7171.9000109.4K838K838-I840 HydrophobicContact CD-CD1 4.01Å; K838-I840 HydrophobicContact CD-CG1 4.01Å
841T32.4Very low31.4Very low136 Ų136136.4 Ų136.483%0.83475%0.746SS**  trans-76.3149.9177.246.70000113.7
842N30Very low31.4Very low150 Ų150135.4 Ų135.480%0.80275%0.745SS**  trans-120.2153.4-176.1-156.939.6000109.5
843V31.4Very low31.4Very low109 Ų109135.5 Ų135.566%0.66175%0.753SS**  cis-101.8-125.44.9-152.30000111.2
844I31.7Very low31.3Very low148 Ų148137.3 Ų137.376%0.75976%0.76SS**  cis-155158.25-9176.8000105.6
845Q30.6Very low31.3Very low160 Ų160137.4 Ų137.475%0.74876%0.762SS**  cis-158.8130.111.4-176.3170.9-2.900110.8
846S26.8Very low31.2Very low108 Ų108138 Ų13876%0.75577%0.766SS**  trans65158.9164.680.70000116.4
847P38.1Very low31.4Very low125 Ų125142.3 Ų142.381%0.81277%0.771SS**  cis-119.6173.141.240.9-30.6000116.5
848F29.9Very low31.5Very low184 Ų184143 Ų14381%0.80777%0.771SS**  trans-84.6153.5170.2-95.5-125.1000111.8
849L31.9Very low31.7Very low141 Ų141139.5 Ų139.574%0.73877%0.766SS**  trans45.5135.9138.8-63.4-173.9000120
850N28.4Very low31.8Very low120 Ų120139.7 Ų139.764%0.64276%0.76SS**  cis-165.2-172.93.5-150.5-5.8000111.4
851H32.8Very low32Very low148 Ų148140.3 Ų140.369%0.68577%0.765SS**  trans96.394.1156.7-64.2-62.1000120.2
852T31Very low32Very low106 Ų106137.7 Ų137.765%0.6575%0.752SS**  82.2115.8123540000121.4
853N31.1Very low32.1Very low155 Ų155136.8 Ų136.883%0.82975%0.752SS**  trans79.691.4131-57.87.3000118.4
854S28.7Very low32.1Very low124 Ų124137.7 Ų137.787%0.86776%0.758SS**  trans-133.5101.8134-173.90000109
855M32.3Very low32.2Very low169 Ų169137.9 Ų137.983%0.83376%0.757SS**  trans-121.8131.7161.7-71.9178.671.600107.2
856N32.2Very low32.3Very low141 Ų141136.5 Ų136.575%0.75476%0.755SS**  167.6137.2126.1-82.2-6.4000109.2
857D33.1Very low32.6Very low167 Ų167136.1 Ų136.189%0.89375%0.752SS**  -175.996.3127.5-92.8-14.7000108.9
858E33.9Very low32.5Very low184 Ų184136.5 Ų136.586%0.8675%0.752SS**  trans-104.8149.7157.6-58.2-175.912800106.6
859S35.4Very low32.7Very low88 Ų88130.7 Ų130.762%0.61574%0.744SS**  162.9179.871.441.70000110.3
860N35.5Very low32.9Very low138 Ų138131.1 Ų131.174%0.73875%0.748SS**  trans88.4139161.8-47.8-57.3000116.3
861N34.6Very low33.2Very low146 Ų146132 Ų13278%0.78175%0.752SS**  cis-138168.817.3-97.9-30.3000110.7
862S32.2Very low33.3Very low81 Ų81130.2 Ų130.257%0.56675%0.752SS**  cis177.8175.3-27.757.20000109.9
863T32.8Very low33.4Very low130 Ų130132.7 Ų132.780%0.79876%0.761SS**  trans79144.1170.381.80000116.2
864V32Very low33.4Very low129 Ų129132.6 Ų132.678%0.78276%0.76SS**  cis-157.2160.23.689.10000114.4
865M32.8Very low34Very low152 Ų152131 Ų13175%0.74975%0.748SS**  trans79.6119.6160.1-75.5-77.7-130.100123.6
866N32.5Very low33.8Very low130 Ų130129 Ų12970%0.69575%0.745SS**  trans54.7126.8137.7-73.13.8000122.6
867S34.2Very low33.8Very low100 Ų100128.6 Ų128.670%0.69975%0.747SS**  90.6136.954.1-66.30000112.8
868T34.9Very low33.7Very low133 Ų133125.1 Ų125.182%0.81674%0.736SS**  cis-169.3156.1-4.7-76.10000108.8
869G34.4Very low33.5Very low62 Ų62122.9 Ų122.964%0.63973%0.73SS**  trans131.496.1148.700000120.6
870D35.6Very low33.4Very low151 Ų151124.1 Ų124.181%0.80774%0.739SS**  57.1141.9124.9-50.3-17000126.4
871D34.9Very low33.2Very low139 Ų139124.8 Ų124.874%0.74374%0.741SS**  trans70.291.2142.2-67.3-1.7000125.5
872T34.3Very low32.9Very low109 Ų109124.8 Ų124.867%0.66974%0.741SS**  41.1124.1123.864.70000122.9
873N34.2Very low32.6Very low158 Ų158125.7 Ų125.785%0.84575%0.745SS**  trans136.4144131.2-70.7-60.2000115.3
874N30.5Very low32.7Very low153 Ų153124.5 Ų124.582%0.81875%0.749SS**  trans-94.3175.3-178.4-135.20.1000109.6
875P40.9Very low32.5Very low92 Ų92124.8 Ų124.860%0.59775%0.746SS**  cis-143.6-176.9-3.942-22.2000117.3
876T28.6Very low32.7Very low126 Ų126123.7 Ų123.777%0.77375%0.748SS**  trans71.3151150.247.50000123.3
877V33.6Very low32.8Very low133 Ų133123.3 Ų123.381%0.80675%0.746SS**  trans91.8106.3160.8-166.10000119.5
878S30.9Very low32.8Very low93 Ų93124.8 Ų124.865%0.6575%0.746SS**  trans34.8123.9142.7-72.20000125.5
879D28.7Very low32.9Very low137 Ų137122.2 Ų122.273%0.73373%0.733SS**  57104.5119.5-48.7-49.8000122.4
880S32.5Very low33.1Very low115 Ų115126.1 Ų126.180%0.80474%0.739SS**  trans-179.2121.1134.5-76.20000107.7
881L32.4Very low33.2Very low152 Ų152124.8 Ų124.880%0.79673%0.732SS**  57.9134.754.2-58.1178.7000113.9
882L28.3Very low33.5Very low146 Ų146124.4 Ų124.476%0.76473%0.73SS**  cis-164.3-164-29.2-153.1107.3000107.6
883C26.3Very low33.6Very low99 Ų99125.9 Ų125.967%0.66973%0.734SS**  trans69.6111.7153.9-69.20000121.6
884A33.3Very low33.9Very low105 Ų105124.9 Ų124.987%0.86873%0.729SS**  -165.8101.2124.700000107
885N28.8Very low34.3Very low136 Ų136123 Ų12373%0.72772%0.719SS**  cis75.5103.928.6-162.933.1000115.8
886V36.7Very low34.1Very low129 Ų129124.7 Ų124.778%0.78272%0.723SS**  trans-159.1133.1162.51710000104.6
887N35Very low34.4Very low122 Ų122125.2 Ų125.265%0.65272%0.72SS**  cis-157.9164.7-13-99.315.1000103.9
888N34.9Very low34.7Very low131 Ų131125.6 Ų125.670%0.70172%0.718SS**  cis-161.5175.91.5-112.518000105.3
889S37.1Very low35Very low79 Ų79128.4 Ų128.455%0.55273%0.726SS**  cis-162.5-166.20.4-114.80000106.7
890N38.5Very low35.4Very low144 Ų144127 Ų12777%0.7773%0.727SS**  trans77.5115.8164.8-68.766.1000116.6
891D37.7Very low35.6Very low122 Ų122127.4 Ų127.465%0.65272%0.724SS**  cis-170.1159.2-39.5-98.4-1000107.8
892N41.1Very low35.9Very low132 Ų132127.2 Ų127.271%0.70672%0.724SS**  trans70.390.7162.8-57.7-3.8000119.8
893D36.4Very low36.3Very low140 Ų140126.7 Ų126.775%0.74972%0.722SS**  65.5124.5107-51.7-11.8000123
894D39.1Very low36.9Very low137 Ų137130.1 Ų130.173%0.73373%0.733SS**  105.8127119.4-98.617.6000124.4
895N39.3Very low37.2Very low114 Ų114128.9 Ų128.961%0.6172%0.724SS**  trans75.899147.9-67.8-57000122.9
896N37.1Very low37.6Very low127 Ų127130.8 Ų130.868%0.67973%0.734SS**  55133.2109.5-67.9-49.1000121.7
897N35.7Very low37.6Very low136 Ų136127.8 Ų127.873%0.72773%0.729SS**  trans38.9142.3133.2-58.413.7000120.5
898D38.5Very low37.8Very low142 Ų142129.6 Ų129.676%0.75974%0.737SS**  cis-154.2-177.929.1-128-46.5000112.8
899N38.6Very low37.8Very low151 Ų151129.8 Ų129.881%0.80774%0.738SS**  trans-85.1160-173.4-72.2-76.2000116.4
900S37.3Very low37.7Very low108 Ų108133.2 Ų133.276%0.75575%0.75SS**  trans86.689.3147.2-166.50000121.3
901V36.1Very low37.6Very low123 Ų123131.5 Ų131.575%0.74575%0.749SS**  trans43.4111.4130.6-1720000119.4
902D37.6Very low37.3Very low149 Ų149133.4 Ų133.480%0.79776%0.759SS**  -167-178.6105.1-128.5-47.2000112.7
903N37.6Very low36.8Very low134 Ų134138.7 Ų138.772%0.71777%0.769SS**  trans-104.1153.2-159-61.4-92.4000116.2
904D39.3Very low36.6Very low171 Ų171139.8 Ų139.891%0.91478%0.775SS**  179.8166.3112.4-112.9-31000116.4
905A38.6Very low36.5Very low80 Ų80138.8 Ų138.866%0.66178%0.779SS**  trans-97.9152-152.300000120.1
906N38.7Very low36.1Very low176 Ų176140.9 Ų140.994%0.94179%0.789SS**  trans178.3124.3138.4-98-58000109.7
907G35.3Very low35.8Very low65 Ų65140 Ų14067%0.6779%0.788SS**  cis-174.4-159.5-2.300000110.9
908I39.1Very low35.5Very low161 Ų161139.3 Ų139.383%0.82679%0.79SS**  trans86.6101.5-176-52175.8000115.5
909N36.3Very low35Very low135 Ų135137.6 Ų137.672%0.72279%0.787SS**SBendtrans56.191.7150.6-59.8-7.6000121
910N34.5Very low34.7Very low150 Ų150138.1 Ų138.180%0.80279%0.79SS**  trans54129.4130.1-50.6-8.7000121
911S35.1Very low34.5Very low109 Ų109139.3 Ų139.376%0.76279%0.788SS**  cis-169124-19-100.80000107.3
912N32.9Very low34.3Very low161 Ų161142.7 Ų142.786%0.86180%0.796SS**  trans-75.9161.1178.4-73.3-9.8000112.7
913R29.5Very low34.1Very low244 Ų244143.1 Ų143.192%0.92180%0.797SS**  trans-105.2121.3147.6-99-173.4175171.4-1.3107.9
914D31.7Very low34Very low162 Ų162144.6 Ų144.687%0.86680%0.797SS**  trans-147.1160.2147.1-102.4-44.9000108.5
915S37.4Very low33.7Very low116 Ų116144.9 Ų144.981%0.81179%0.793SS**  trans-114.9121.7-163.4-58.40000113.2
916L30.6Very low33.5Very low158 Ų158145.4 Ų145.483%0.82779%0.792SS**  trans-150.9132163.2-153.764.1000111.8
917T32Very low33.2Very low108 Ų108144 Ų14466%0.66379%0.785SS**  trans43.7123.915554.20000119.8
918T29.8Very low33.1Very low123 Ų123146 Ų14676%0.75578%0.784SS**  54.3121.869-55.20000112.8
919C27.9Very low32.7Very low105 Ų105144.6 Ų144.671%0.70978%0.776SS**  cis-163.5157.2-14.2-106.20000105.3
920D31.6Very low32.6Very low163 Ų163146.9 Ų146.987%0.87278%0.783SS**  trans-149.1150.7142.9-133.6-27.3000111.6
921N32.6Very low32.3Very low133 Ų133144.7 Ų144.771%0.71178%0.779SS**  trans-97.9151.2-169.6-67.2-83.6000112.3L923N921-L923 PolarHBondContact O-N 2.94Å
922E32.4Very low32.6Very low194 Ų194144.7 Ų144.791%0.90778%0.777SS**  trans-56.2126.5151.3-93.5-97.3107.700108.7K924E922-K924 PolarHBondContact O-N 3.17Å
923L32.9Very low32.5Very low157 Ų157144 Ų14482%0.82277%0.773SS**SBendtrans-80.990.6-163.5-136171.1000111.4N921N921-L923 PolarHBondContact O-N 2.94Å
924K35.2Very low32.7Very low166 Ų166140.3 Ų140.372%0.72276%0.764SS**  trans-176.7125.4141.1-95.2140.4-161.6165.10114.7E922E922-K924 PolarHBondContact O-N 3.17Å
925Q34.3Very low32.7Very low176 Ų176139.4 Ų139.482%0.82276%0.758SS**  trans59.8130.4133.4-60.8168-7.700118.2
926S32.8Very low32.5Very low92 Ų92139.7 Ų139.764%0.64376%0.755SS**  cis-172155.7-0.5-99.10000108.2
927D32.9Very low33Very low146 Ų146137.2 Ų137.278%0.78175%0.748SS**  trans58.7142.8143.4-69.8-45.6000120.5
928T33.6Very low32.7Very low106 Ų106136.7 Ų136.765%0.6575%0.749SS**  cis-170.8145.6-4.6-128.30000111.7
929I31.7Very low32.8Very low132 Ų132137.6 Ų137.668%0.67776%0.755SS**  trans69.4123.6145.7-68.1-178000123.9
930Q32.4Very low32.8Very low183 Ų183142.2 Ų142.286%0.85576%0.763SS**  trans73.9139.8143.3-79.8165.9-1.500125.7
931S29.9Very low32.8Very low104 Ų104140.2 Ų140.273%0.72776%0.761SS**  trans-88.4168.5153.953.60000111.5
932P40.8Very low32.5Very low109 Ų109139.7 Ų139.771%0.70877%0.769SS**  -153155.910938-21.5000117
933D30Very low32.5Very low148 Ų148135.3 Ų135.379%0.79177%0.766SS**  trans54.6154.1146.3-60.5-15.1000120.8
934K34.4Very low32.2Very low166 Ų166133.2 Ų133.272%0.72276%0.764SS**  cis-166.4132.836-156.7152.9-177.7-70.40115.3
935L31.4Very low31.8Very low143 Ų143131 Ų13175%0.74976%0.764SS**  trans66.4122.7151.9-68.2173.8000123.9
936T32.9Very low31.5Very low122 Ų122129.3 Ų129.375%0.74876%0.759SS**  trans-69-172.3157.340.30000114.7
937P41.1Very low31.5Very low105 Ų105130.8 Ų130.868%0.68277%0.767SS**  cis-139.1172.6-23.127.7-5.5000117.1
938S26.1Very low31.4Very low97 Ų97129.9 Ų129.968%0.67877%0.767SS**  trans60.9131.9138.866.80000123.3
939T32.6Very low31.2Very low143 Ų143134 Ų13488%0.87778%0.776SS**  -175.1179.299.127.10000112.2
940K27.3Very low31.1Very low202 Ų202138 Ų13888%0.87878%0.783SS**  trans-100.7143.8-169.3-46.8165.9-176.4174.90111.9
941S31.6Very low30.9Very low120 Ų120133.1 Ų133.184%0.83977%0.768SS**  179.6138.7120.657.40000113.3
942S27.1Very low30.8Very low123 Ų123135 Ų13586%0.8677%0.771SS**  trans-60.1142177.849.70000116.3
943A31.4Very low30.3Very low102 Ų102136 Ų13684%0.84378%0.775SS**  trans-143.5152.5152.400000110.1
944S27.5Very low30.3Very low112 Ų112136.2 Ų136.278%0.78378%0.775SS**  trans-69.8143.3-178.31710000112.9
945T25.5Very low30.4Very low120 Ų120133.1 Ų133.174%0.73677%0.772SS**  163.7165.7109.1-58.50000110.9
946I29.5Very low30.3Very low140 Ų140133.6 Ų133.672%0.71877%0.77SS**  trans85.3119.5167.7-48.6-179.3000116.5
947P32.1Very low30.2Very low123 Ų123132.4 Ų132.480%0.79977%0.767SS**  trans-98.1159.9159.237.8-31.5000112.1
948T31.6Very low29.8Very low127 Ų127132.3 Ų132.378%0.77976%0.764SS**  trans-143158.6169.5-520000110.2
949F29.4Very low30Very low194 Ų194135 Ų13585%0.85177%0.766SS**  trans-60.3168.1173.9-71.2-96.5000111.2
950R29.4Very low29.8Very low216 Ų216135.1 Ų135.182%0.81576%0.761SS**  cis-168.1156.837.2-156.4174.8-177.6168.7-0.1113.3
951S28Very low30Very low79 Ų79130.3 Ų130.355%0.55275%0.749SS**  trans37.7120.5151.6-72.70000121.5
952N27.2Very low29.9Very low145 Ų145132.6 Ų132.678%0.77575%0.746SS**  79.3143.792.3-53.2-13.2000113.4
953T30.9Very low30.1Very low130 Ų130133.8 Ų133.880%0.79874%0.742SS**  cis-151.9158.827.7-37.20000113.3
954L28.9Very low29.9Very low152 Ų152132.9 Ų132.980%0.79673%0.729SS**  trans-49.5179.9150.1-110.164.7000112.9
955P37.9Very low30Very low101 Ų101132.4 Ų132.466%0.65672%0.717SS**  cis-129.8-170.319.942.1-22.7000113.7
956Q29.3Very low30.2Very low153 Ų153133.8 Ų133.872%0.71572%0.715SS**  cis-140-152.215.5-155.1124.8-16.500108.8
957S30.3Very low30.3Very low97 Ų97131.2 Ų131.268%0.67870%0.702SS**  cis-161.2141.69.458.60000115.2
958V32.1Very low30.1Very low102 Ų102129.1 Ų129.162%0.61869%0.691SS**  53.5119.4123.5-173.60000119.3
959E30.2Very low30Very low155 Ų155126.3 Ų126.372%0.72467%0.673SS**  cis176.5161.4-20.7-113.6116.9-107.900104.3
960D29.1Very low29.9Very low145 Ų145123 Ų12378%0.77566%0.664SS**  cis-164.6-161.1-417636.5000106.9
961V31Very low29.9Very low101 Ų101117.9 Ų117.961%0.61265%0.652SS**  trans112.897.3149.9-174.80000117.1
962Q28.8Very low29.8Very low168 Ų168121.8 Ų121.879%0.78566%0.661SS**  trans64.9150.8148.8-63.9179.8-59.200119.2
963L31Very low29.8Very low148 Ų148122.9 Ų122.978%0.77566%0.66SS**  cis-146.7159.88-163.461.9000113.1
964C27.2Very low29.8Very low83 Ų83122.9 Ų122.956%0.56166%0.66SS**  trans-81.3179.5179.7-48.20000114.2
965N30Very low29.8Very low101 Ų101121.1 Ų121.154%0.5466%0.66SS.*  cis-170.7144.6-32.4-98.3-2.1000110.9N711N711-N965 HydrophobicContact CB-CB 3.46Å; N711-N965 VanDerWaalsContact CB-CB 3.46Å; N711-N965 PolarHBondContact OD1-ND2 2.8Å
966Q31Very low29.3Very low149 Ų149125.5 Ų125.570%0.69667%0.669SS**  trans49.8151.1138.9-13563.620.900125.9
967I30.2Very low29.1Very low86 Ų86125.5 Ų125.544%0.44167%0.673SS.*  trans83.9-179.9165.56.1-179000120.7D708 I710D708-I967 HydrophobicContact CB-CB 3.66Å; D708-I967 HydrophobicContact CB-CD1 4.22Å; D708-I967 HydrophobicContact CB-CG2 3.43Å; D708-I967 VanDerWaalsContact CB-CG2 3.43Å; D708-I967 CarbonylContact O-C 3.48Å; I710-I967 HydrophobicContact CB-CD1 4.02Å
968S28.3Very low29Very low80 Ų80125.4 Ų125.456%0.55967%0.672SS**  trans-169.9-154-148-156.30000115.6D708D708-S968 WeakPolarHBondContact CA-O 3.21Å; D708-S968 VanDerWaalsContact CB-O 3.26Å; D708-S968 WeakPolarHBondContact CB-O 3.37Å; D708-S968 PolarHBondContact N-O 3.2Å; D708-S968 PolarHBondContact O-N 2.68Å
969T29.2Very low28.8Very low67 Ų67129 Ų12941%0.41168%0.68SS.*  trans59.7120.1176.977.60000118.2S706 N707 D708S706-T969 CarbonylContact C-O 3.6Å; S706-T969 WeakPolarHBondContact CA-O 3.45Å; N707-T969 WeakPolarHBondContact CA-O 3.38Å; N707-T969 PolarHBondContact N-O 3.06Å; N707-T969 PolarHBondContact OD1-O 3.5Å; D708-T969 WeakPolarHBondContact OD2-CG2 3.43Å; D708-T969 PolarHBondContact OD2-OG1 3.48Å
970D28.4Very low28.9Very low124 Ų124128.8 Ų128.866%0.66368%0.679SS**  cis-174.3-176.4-3.4-155.2-23.8000107.8S706S706-D970 WeakPolarHBondContact CB-O 3.33Å; S706-D970 PolarHBondContact OG-O 3.39Å
971I29.3Very low28.8Very low109 Ų109127.5 Ų127.556%0.55967%0.67SS**  trans82.696.8161.7-62.3167.5000118.5
972E25.9Very low28.9Very low161 Ų161129.2 Ų129.275%0.75267%0.672SS**  92.7139128.3-77.6-163.5142.200127
973F26.4Very low29Very low168 Ų168127.8 Ų127.874%0.73767%0.665SS**  trans5885.7152.5-85.5-82.3000123.1S975F973-S975 PolarHBondContact O-N 3.27Å
974T30.6Very low29.2Very low131 Ų131127.9 Ų127.980%0.80466%0.659SS**  trans1399133.661.10000119.5
975S28.7Very low29.4Very low114 Ų114128.8 Ų128.880%0.79766%0.659SS**  trans-138.5121.4133.463.70000107.3F973F973-S975 PolarHBondContact O-N 3.27Å
976K27.8Very low29.4Very low193 Ų193128.6 Ų128.684%0.83967%0.665SS**  cis100.1114.741-173.4-177.5-175.3-178.10111.1
977L25.5Very low29.6Very low154 Ų154127.4 Ų127.481%0.80667%0.668SS**  trans92.2152.8159.8-136.474.3000119.2
978S28.1Very low29.7Very low95 Ų95129.7 Ų129.766%0.66468%0.677SS**  trans72.8126.6175-67.60000115.5
979K28.8Very low30Very low177 Ų177135.1 Ų135.177%0.7769%0.686SS**  65.3131.168.8-70.2-173.9174.5-168.90111.1I981K979-I981 HydrophobicContact CG-CD1 4.34Å
980E31.4Very low30.2Very low151 Ų151138.6 Ų138.671%0.70670%0.702SS**  cis-124.3157.517.6-74-166.5101.400112.1
981I28.2Very low30.6Very low117 Ų117139 Ų13960%0.671%0.705SS**  cis80.9147.239.4-67.1169.7000113K979K979-I981 HydrophobicContact CG-CD1 4.34Å
982Q32Very low30.9Very low138 Ų138139.8 Ų139.865%0.64571%0.709SS**  trans85.5141.1165.5-86.3165.18400118.3
983Q31.7Very low31.4Very low137 Ų137137.7 Ų137.764%0.6471%0.707SS**  cis-173.3179-10-147-17816.100114.5
984K33.8Very low31.8Very low150 Ų150138.8 Ų138.865%0.65271%0.711SS**  trans79.1147.9149-70.8-176.9166.6-77.80118.8
985D33Very low31.8Very low103 Ų103140.3 Ų140.355%0.55171%0.714SS**  cis-156.4147.1-17-107.7-14000107.8
986S29.3Very low32.2Very low97 Ų97139.9 Ų139.968%0.67871%0.708SS**  88174.856.9-52.20000113.5
987V36.1Very low32.5Very low124 Ų124135.6 Ų135.675%0.75270%0.703SS**  trans80.3135.2-155.8-177.40000111
988E32.4Very low32.9Very low133 Ų133133.2 Ų133.262%0.62170%0.699SS**  cis-177.7174.1-27.2-101147.5-143.500105.8
989Y33.3Very low33.2Very low195 Ų195134 Ų13477%0.76570%0.704SS**  cis-163.4170.3-1.4-101.8-36000104.8
990D33.4Very low33.6Very low140 Ų140131.3 Ų131.375%0.74971%0.708SS**  cis-168.8-125.3-27.6-164.9-97.8000107.4
991D37.4Very low33.8Very low133 Ų133129 Ų12971%0.71171%0.709SS**  trans72.586.2169.3-125.944.8000118.7
992I34.7Very low34.1Very low125 Ų125128.2 Ų128.264%0.64171%0.713SS**  trans64.3111.8132.7-64.4175.3000116.1
993T37.2Very low34.1Very low117 Ų117126.9 Ų126.972%0.71872%0.719SS**  cis-162.2149.922.15.50000114.7
994K34.5Very low34Very low190 Ų190126.3 Ų126.383%0.82673%0.729SS**  trans51.890152-71.1-177.9177.8-177.20120.5
995L30.1Very low34Very low164 Ų164124.2 Ų124.286%0.85973%0.733SS**  32.8144.8110.4-65.4167000120.8
996P37.9Very low33.9Very low105 Ų105124.3 Ų124.368%0.68274%0.737SS**  cis-142.2176.8-14.439.8-20.4000117.8
997S33.4Very low33.8Very low103 Ų103128.8 Ų128.872%0.7275%0.745SS**  trans76.9101.1154.150.90000122.3
998S33.8Very low33.6Very low103 Ų103130.4 Ų130.472%0.7275%0.748SS**  trans54113.7140.855.70000120.6
999S34.7Very low33.4Very low111 Ų111128.5 Ų128.578%0.77675%0.749SS**  cis77.8137.449.978.30000115.3
1000S36.5Very low33.2Very low121 Ų121124.4 Ų124.485%0.84675%0.749SS**  cis-169.2179-16.345.50000109.1
1001S35.7Very low33Very low104 Ų104122.8 Ų122.873%0.72775%0.749SS**  trans-95.8159-168.253.80000116.5
1002S35.2Very low32.7Very low100 Ų100122.9 Ų122.970%0.69975%0.754SS**  trans12.3147.8145.660.60000121.2
1003S32.6Very low32.3Very low110 Ų110125.1 Ų125.177%0.76976%0.764SS**  cis-174.5179.51-99.30000110.7
1004C30.1Very low32Very low124 Ų124125.5 Ų125.584%0.83877%0.766SS**  trans78.3146.1175.7-58.80000115
1005S32.9Very low31.9Very low106 Ų106123 Ų12374%0.74177%0.767SS**  cis-175.8157.6-7.7410000109.5
1006T30.5Very low32Very low105 Ų105120.8 Ų120.864%0.64476%0.76SS**  cis-169.1167.3-17.8-74.50000106.8
1007F28.1Very low31.9Very low191 Ų191122.6 Ų122.684%0.83876%0.762SS**  trans77.4135.6178.5-52.6-74.8000114.9
1008I30.3Very low31.9Very low158 Ų158123.5 Ų123.581%0.8176%0.763SS**  cis-148.4167.312.71.8174.3000108.8
1009S29.6Very low32Very low93 Ų93123.2 Ų123.265%0.6576%0.757SS**  cis-160.51702.7-1640000111.5
1010S28.2Very low32Very low109 Ų109123.4 Ų123.476%0.76275%0.754SS**  trans54.3111.9148.1-59.10000121.4
1011S29.3Very low31.9Very low107 Ų107125.3 Ų125.375%0.74875%0.75SS**  168.516699.9-163.20000113.5
1012V31.6Very low31.7Very low134 Ų134127 Ų12781%0.81275%0.749SS**  trans72.3151.5167.3-1670000117.6
1013M25.6Very low31.7Very low172 Ų172129.2 Ų129.285%0.84775%0.752SS**  trans-61.7149172.8-49.8179.6-161.800111
1014V30.5Very low32Very low126 Ų126129 Ų12976%0.76475%0.748SS**  -170.715977.8154.90000109.7T1016V1014-T1016 PolarHBondContact O-N 3.41Å
1015T33.7Very low32.2Very low138 Ų138128.6 Ų128.685%0.84774%0.742SS**  trans-30.2116.5169.7-470000116.2
1016T32.6Very low32.2Very low117 Ų117131.2 Ų131.272%0.71875%0.745SS**  trans-71.1155.8162.4-16.90000109.5V1014V1014-T1016 PolarHBondContact O-N 3.41Å
1017I34.5Very low32.2Very low142 Ų142130.4 Ų130.473%0.72874%0.743SS**  cis-144.9159.715.7-22.4176.2000106.6
1018V33.5Very low32.2Very low123 Ų123127.1 Ų127.175%0.74574%0.739SS**  154.9155.588.9110.40000106.8
1019T35.3Very low32.2Very low97 Ų97127 Ų12760%0.59574%0.738SS**  cis-164.8143.6-39.2290000108.9
1020T35.9Very low32Very low115 Ų115128.3 Ų128.371%0.70674%0.742SS**  trans62.1146.6149.456.30000120.7
1021Q33.5Very low32.1Very low161 Ų161131.1 Ų131.175%0.75275%0.745SS**  cis-160.6156.7-1-121.9169.727.800112.8
1022L32Very low32.1Very low138 Ų138131.5 Ų131.572%0.72374%0.743SS**  trans53.7120.5154.3-64.8154.3000119.6
1023I35.7Very low32.1Very low147 Ų147130.7 Ų130.775%0.75474%0.744SS**  cis7611931.7-53175.7000111.5
1024P39.5Very low32.4Very low105 Ų105129.2 Ų129.268%0.68274%0.739SS**  -156.3168.477.443.8-23.8000121.4
1025T33.8Very low32.4Very low117 Ų117128.3 Ų128.372%0.71873%0.734SS**  trans67.3145.6147.855.30000120.6
1026M32.8Very low32.1Very low161 Ų161125.1 Ų125.179%0.79372%0.715SS**  cis-160.5158-4.9-110.6-71.1168.900113.6
1027S30.1Very low31.9Very low88 Ų88124.2 Ų124.262%0.61570%0.704SS**  trans50.8124148.6-66.70000125.4
1028T27.6Very low31.8Very low121 Ų121123 Ų12374%0.74270%0.703SS**  40.2124.5112.2-25.20000118.1
1029I30.7Very low32Very low157 Ų157122.2 Ų122.281%0.80570%0.701SS**  -160.7152.680.1-87.7164.2000112.7
1030T26.5Very low31.5Very low119 Ų119122.6 Ų122.673%0.7371%0.708SS**  trans-64.3133.7173-15.90000113.7
1031M30.1Very low31.2Very low168 Ų168125.4 Ų125.483%0.82871%0.713SS**  trans-162.6155.5139.2-107.5-47109.800113.7
1032T28.8Very low30.9Very low115 Ų115125.3 Ų125.371%0.70672%0.715SS**  trans-77.4142.3178.947.80000113.5
1033S31.7Very low30.9Very low118 Ų118125.5 Ų125.583%0.82572%0.715SS**  173.1149.5116.1-78.90000115.6
1034N31.7Very low30.6Very low141 Ų141124.3 Ų124.375%0.75471%0.714SS**  trans-56.8129.5-173.1-66.8-17.2000118.5
1035T30.3Very low30.2Very low107 Ų107125 Ų12566%0.65672%0.717SS**  62.4135.7114.7-30.70000122.4
1036T27.1Very low29.8Very low70 Ų70124 Ų12443%0.42972%0.715SS.*  trans80.898.6148340000122.5N809N809-T1036 WeakPolarHBondContact O-CG2 3.23Å
1037I29.3Very low29.4Very low98 Ų98126.5 Ų126.550%0.50372%0.722SS.*  108.4130.1120.7-70.8164.9000119.5H808H808-I1037 HydrophobicContact CB-CD1 3.96Å; H808-I1037 WeakPolarHBondContact CE1-CG2 3.24Å
1038T31.7Very low29.4Very low116 Ų116126.6 Ų126.671%0.71273%0.728SS**  trans-56.1159.3166.552.10000114
1039P37Very low29.6Very low108 Ų108126.8 Ų126.870%0.70173%0.729SS**  cis-147.6-173.436.542.4-22.6000116.4
1040S24.8Very low29.5Very low105 Ų105123.7 Ų123.773%0.73472%0.721SS**  trans65.6118.3158.9-54.20000115.3
1041Q29.9Very low30Very low173 Ų173119.9 Ų119.981%0.80870%0.699SS**  cis-158.5177.237.8-64.3177.2-1000111.8
1042M26.9Very low30.1Very low160 Ų160117.3 Ų117.379%0.78869%0.688SS**  trans73.5146.1158.1-80.6-173.5167.200120.2
1043I33.1Very low30.2Very low142 Ų142114.5 Ų114.573%0.72868%0.676SS**  trans65.9100161.1-61.9156.3000113
1044T29.1Very low30.2Very low121 Ų121113 Ų11374%0.74266%0.662SS**  cis68.2122.630.8-37.50000113.5
1045T30.7Very low30.1Very low120 Ų120115.9 Ų115.974%0.73667%0.668SS**  trans62.4131-170.475.60000113.9
1046S25.5Very low30.4Very low97 Ų97118.4 Ų118.468%0.67868%0.676SS**  cis62.888.33.886.10000117
1047F25.6Very low30.9Very low213 Ų213122.4 Ų122.493%0.93469%0.689SS**  trans45.5106.7149.4-60.2-78.9000119
1048A28.6Very low30.7Very low90 Ų90123 Ų12374%0.74469%0.694SS**  trans-127.7128.9148.600000109.1
1049T31.8Very low31Very low124 Ų124119.6 Ų119.676%0.76167%0.671SS**  trans23.2121.1152.855.20000120.6
1050S28.9Very low30.8Very low92 Ų92118.8 Ų118.864%0.64366%0.661SS**  -3153.5124.5-128.80000116.7
1051P37Very low31.4Very low40 Ų40119.2 Ų119.226%0.2665%0.651SS.*  cis-152.7-163.42.9229.7000115.5D1058 L1059 N1060 H1061P1051-D1058 CarbonylContact O-C 3.58Å; P1051-L1059 CarbonylContact C-O 3.48Å; P1051-L1059 WeakPolarHBondContact CB-O 3.47Å; P1051-L1059 VanDerWaalsContact CG-O 3.28Å; P1051-L1059 WeakPolarHBondContact CG-O 3.44Å; P1051-L1059 PolarHBondContact O-N 3.45Å; P1051-N1060 WeakPolarHBondContact CB-O 3.01Å; P1051-H1061 HydrophobicContact CG-CB 3.56Å
1052D31.8Very low31.6Very low114 Ų114117.8 Ų117.861%0.6165%0.649SS**  trans-141.3131.8156.7-169.229.9000117.3L1059D1052-L1059 CarbonylContact C-O 3.3Å; D1052-L1059 WeakPolarHBondContact CA-O 3.45Å; D1052-L1059 PolarHBondContact N-O 3.43Å
1053A31.3Very low31.9Very low55 Ų55114.5 Ų114.546%0.45565%0.647SS.*  trans167.175.9157.200000117.3L1059 N1060A1053-L1059 PolarHBondContact N-O 3.04Å; A1053-N1060 PolarHBondContact O-ND2 3.37Å
1054T31.5Very low31.8Very low86 Ų86115.2 Ų115.253%0.52865%0.653SS.*SBendtrans-174.794.1138.754.50000114.5L1059T1054-L1059 WeakPolarHBondContact O-CD1 3.45Å; T1054-L1059 VanDerWaalsContact OG1-CD2 3.3Å; T1054-L1059 WeakPolarHBondContact OG1-CD2 3.45Å
1055K31.2Very low32Very low203 Ų203114.2 Ų114.288%0.88365%0.651SS**SBendtrans48.1101.1162.6-68.2-176.9176.8178.30116.7
1056I36.1Very low32Very low159 Ų159113.7 Ų113.782%0.81565%0.651SS**SBendtrans80.791.1176-46.5166.8000112
1057H36.4Very low32.4Very low154 Ų154115.5 Ų115.571%0.71366%0.658SS**SBendtrans60.6106174.1-88.2-75000117.7L1059H1057-L1059 WeakPolarHBondContact O-CD1 3.38Å
1058D25.4Very low32.5Very low111 Ų111110.7 Ų110.759%0.59465%0.651SS**  trans52111.1144.1-40.6-57000118.5P1051P1051-D1058 CarbonylContact O-C 3.58Å
1059L37.9Very low32.6Very low44 Ų44111.7 Ų111.723%0.2365%0.653CS.*  trans-164.1158.1-154.6-95.1136.8000119.4P1051 D1052 A1053 T1054 H1057P1051-L1059 CarbonylContact C-O 3.48Å; P1051-L1059 WeakPolarHBondContact CB-O 3.47Å; P1051-L1059 VanDerWaalsContact CG-O 3.28Å; P1051-L1059 WeakPolarHBondContact CG-O 3.44Å; P1051-L1059 PolarHBondContact O-N 3.45Å; D1052-L1059 CarbonylContact C-O 3.3Å; D1052-L1059 WeakPolarHBondContact CA-O 3.45Å; D1052-L1059 PolarHBondContact N-O 3.43Å; A1053-L1059 PolarHBondContact N-O 3.04Å; T1054-L1059 WeakPolarHBondContact O-CD1 3.45Å; T1054-L1059 VanDerWaalsContact OG1-CD2 3.3Å; T1054-L1059 WeakPolarHBondContact OG1-CD2 3.45Å; H1057-L1059 WeakPolarHBondContact O-CD1 3.38Å
1060N32.8Very low32.5Very low92 Ų92112.4 Ų112.449%0.49266%0.657SS.*  trans48.789.7162.3-59.9-24.3000120.2P1051 A1053P1051-N1060 WeakPolarHBondContact CB-O 3.01Å; A1053-N1060 PolarHBondContact O-ND2 3.37Å
1061H38Very low32.6Very low114 Ų114113.5 Ų113.553%0.52867%0.665SS.*  cis93.114218.3-130.4-70.2000114.2P1051P1051-H1061 HydrophobicContact CG-CB 3.56Å
1062N35.1Very low32.4Very low142 Ų142119.5 Ų119.576%0.75969%0.694SS**  trans81.3137.3164.6-62.7-25000121.3
1063A32.9Very low32.8Very low92 Ų92119 Ų11976%0.7670%0.697SS**  trans-64165.6161.600000112.9
1064D31.1Very low32.8Very low157 Ų157126.8 Ų126.884%0.8472%0.721SS**  -156.3170.2104.5-136.8-32.6000112.7
1065S32.7Very low32.8Very low100 Ų100127.8 Ų127.870%0.69973%0.732SS**  trans79.8118.4166.175.80000121.4
1066S31.4Very low33.2Very low108 Ų108123.4 Ų123.476%0.75572%0.724SS**  trans91.8125.5145.978.60000121.9
1067V32.9Very low32.8Very low135 Ų135121 Ų12182%0.81872%0.721SS**  trans50.1107.2157.4-67.50000122
1068S28.2Very low32.5Very low113 Ų113121.6 Ų121.679%0.7973%0.729SS**  trans36.1134.2131-141.30000120.3
1069S29.9Very low32.8Very low111 Ų111120 Ų12078%0.77673%0.732SS**  cis-149.8163.630.1-60.30000112.8
1070T30.9Very low32.3Very low138 Ų138124.6 Ų124.685%0.84776%0.757SS**  trans-125.2139.6-174.8-34.90000112.7
1071S30.6Very low32.3Very low116 Ų116126.9 Ų126.981%0.81177%0.769SS**  trans-154.6132.8156.561.10000111.6
1072L32Very low32Very low166 Ų166127.5 Ų127.587%0.86979%0.786SS**  trans-120.2160.9172.7-81.8173.3000110.3
1073P39.9Very low31.9Very low104 Ų104125.6 Ų125.668%0.67578%0.784SS**  trans-102162.1-156.338.7-36.8000115.4
1074F33.1Very low32Very low217 Ų217130.3 Ų130.395%0.95279%0.787SS**  trans-159.5170.3144.7-101.1-67.2000111
1075S31.2Very low32.1Very low108 Ų108128.3 Ų128.376%0.75578%0.781SS**  trans-116.1-176.5-165.6-490000112.6
1076P39.9Very low32Very low110 Ų110129 Ų12971%0.71478%0.781SS**  -130.6167.5-68.539-24.4000114.7
1077S27.3Very low31.8Very low110 Ų110133.7 Ų133.777%0.76978%0.783SS**  trans54.8105155.563.20000120.9
1078N30.2Very low31.7Very low165 Ų165135.7 Ų135.788%0.88278%0.781SS**  -162.2157.2117.1-134.4-7.9000113.2
1079A30.1Very low31.6Very low78 Ų78137.9 Ų137.965%0.64578%0.784SS**  trans60.2123.616200000122.1
1080D28.6Very low31.7Very low141 Ų141137.7 Ų137.775%0.75478%0.782SS**  trans74.3126.8130.6-68.612.9000125.4
1081N32.6Very low31.7Very low140 Ų140137.9 Ų137.975%0.74978%0.778SS**  trans95.3105140.5-63.1-26.6000123.6
1082S32.2Very low31.7Very low126 Ų126140.9 Ų140.988%0.88178%0.784SS**  trans84.3175.2137.980.10000120
1083S32.3Very low31.7Very low103 Ų103139.6 Ų139.672%0.7278%0.777SS**  trans-159.7163.9-145.765.40000115.2
1084K35.2Very low31.4Very low190 Ų190142.2 Ų142.283%0.82678%0.781SS**  trans81.5143.1175.4-64-166.5174.4-177.50114.9
1085T32.3Very low31.3Very low115 Ų115138.6 Ų138.671%0.70677%0.771SS**  cis-160.1157.6-3.48.20000113.3
1086V30.2Very low31.3Very low115 Ų115141.1 Ų141.170%0.69777%0.771SS**  trans73.7112.5143.2163.90000120.3
1087Y29.2Very low30.8Very low206 Ų206141 Ų14181%0.80877%0.772SS**  trans60.1129.3146.3-75.7-122.4000119.1
1088K29.7Very low31.1Very low178 Ų178144.5 Ų144.577%0.77477%0.774SS**SBendcis-133.6137.61.9-64.4178.9-177.6171.10110.1
1089N26.9Very low31.1Very low159 Ų159144.6 Ų144.685%0.8577%0.771SS**SBendtrans4478.9163.2-61.810.3000117.3
1090S30.6Very low30.9Very low106 Ų106147.6 Ų147.674%0.74178%0.781SS**SBendtrans68.5125.3154.2-55.80000119.8
1091D32.5Very low31Very low142 Ų142145.9 Ų145.976%0.75978%0.78SS**  trans69.593.3147.9-52.1-28.6000120.4
1092L29.5Very low30.9Very low180 Ų180144.9 Ų144.994%0.94278%0.779SS**  trans-141.6131.7134.8-121.8164.5000108.1
1093L32.8Very low30.6Very low138 Ų138142 Ų14272%0.72377%0.769SS**  trans-123.2142.5-165.7-90.8171.7000114.2
1094Q33.5Very low30.5Very low160 Ų160146.1 Ų146.175%0.74877%0.774SS**  trans73.1128153-71175.9-14.700121.3
1095N30.3Very low30.2Very low140 Ų140141.2 Ų141.275%0.74976%0.763SS**  trans75141.8139.6-78.318.7000119.5
1096E30.4Very low30.3Very low162 Ų162142.2 Ų142.276%0.75776%0.764SS**  cis-139.4147.87.4-66.1-168.1143.500115.1
1097S30.3Very low30.5Very low106 Ų106143.6 Ų143.674%0.74177%0.768SS**  trans73143.5140.881.10000123.6
1098K34.1Very low30.9Very low184 Ų184141.8 Ų141.880%0.876%0.764SS**  trans69.2124.3151.5-90.6-169.4173.9-178.20123
1099M29.3Very low30.9Very low168 Ų168140.8 Ų140.883%0.82876%0.763SS**  trans79.4121.5139.8-67.1-173.268.800121.2
1100V27.3Very low31.3Very low140 Ų140137 Ų13785%0.84875%0.753SS**  trans-62.9136162.6170.80000111.6
1101S30.2Very low31.2Very low105 Ų105136 Ų13673%0.73475%0.751SS**  trans-167.3131.5130.9-154.60000114.7
1102V29.9Very low31.3Very low120 Ų120138.4 Ų138.473%0.72776%0.755SS**  trans17.7122.4139.6-174.90000118.9
1103G26.2Very low31.4Very low65 Ų65136.2 Ų136.267%0.6774%0.744SS**  trans-95.4-179.3162.200000114
1104K30.2Very low31.2Very low189 Ų189136.8 Ų136.882%0.82275%0.747SS**  trans-157.3129.5173.5-102.1-172.6179.6-176.40109
1105S29.7Very low31Very low87 Ų87135.4 Ų135.461%0.60875%0.749SS**  66.3139.492.4770000113.9
1106D33.5Very low31Very low136 Ų136135 Ų13573%0.72775%0.747SS**  172.8153.6106.3-82.1-6.2000107.2
1107D33.8Very low30.9Very low144 Ų144133.4 Ų133.477%0.7774%0.743SS**  cis-163.5-172.7-2.4-144.6-22.1000112.2
1108K37.3Very low30.9Very low169 Ų169136.4 Ų136.474%0.73575%0.746SS**  trans89.3136.5163.8-62.2-179.4164.6-77.10118
1109E31.5Very low30.5Very low157 Ų157135.6 Ų135.673%0.73475%0.747SS**  cis-169.3160.2-19.7-121.1179.510500105.9
1110A34.1Very low30.8Very low78 Ų78136.8 Ų136.865%0.64575%0.747SS**  cis-145.5143-3.800000106.2
1111A29.3Very low30.7Very low86 Ų86132.9 Ų132.971%0.71173%0.726SS**  75.8108.151.300000115.4
1112K33.9Very low30.9Very low192 Ų192132.7 Ų132.784%0.83572%0.723SS**  174.7155.1120.4-96.4161.7-1761700115.9
1113N31.3Very low30.7Very low135 Ų135131.7 Ų131.772%0.72272%0.716SS**  trans65.5116.2162.6-56.5-9.3000116.9
1114I29.5Very low30.9Very low150 Ų150134 Ų13477%0.76972%0.723SS**  cis89.8135.426.9-47160000113.9
1115V29.4Very low30.9Very low131 Ų131130 Ų13079%0.79472%0.718SS**  trans95.3132.3170-162.50000118.7
1116N30.4Very low30.7Very low131 Ų131129 Ų12970%0.70171%0.708SS**  trans81.2105.1158.5-102.96.2000123.4
1117N28.1Very low30.5Very low129 Ų129128.5 Ų128.569%0.6971%0.705SS**  29.5132.2110.2-62.2-54.6000120.7
1118Q29Very low29.9Very low169 Ų169127.3 Ų127.379%0.7970%0.698SS**  trans31.6111.7144.3-57.9-174.425.500118.7
1119M26.5Very low29.5Very low167 Ų167125.3 Ų125.382%0.82370%0.7SS**  179.4162.1110.4-98.1-177-166.900112.5
1120K35.1Very low29.2Very low192 Ų192123.7 Ų123.784%0.83570%0.696SS**  trans57.993.6156.2-73.5179.9177.1-179.30119.9
1121S26.6Very low29Very low59 Ų59125.6 Ų125.641%0.41370%0.696SS.*  -45.4155.5120.8-160.10000110.7L1127S1121-L1127 WeakPolarHBondContact OG-CD2 3.28Å
1122P32.9Very low29Very low101 Ų101127.2 Ų127.266%0.65669%0.692SS**  cis-150.4-174.629.746.4-26.7000117.9T1126P1122-T1126 HydrophobicContact CB-CG2 3.85Å
1123V27.1Very low28.7Very low98 Ų98122.1 Ų122.159%0.59468%0.681SS**  trans61.5133.3151.4166.40000118T1126V1123-T1126 HydrophobicContact CG2-CG2 4.04Å; V1123-T1126 VanDerWaalsContact CG2-OG1 3.31Å; V1123-T1126 WeakPolarHBondContact CG2-OG1 3.49Å; V1123-T1126 VanDerWaalsContact N-CG2 3.34Å
1124S30.3Very low28.8Very low115 Ų115122.6 Ų122.680%0.80468%0.683SS**SBendcis-114.4130.89.4-59.60000113.2
1125S30.1Very low28.7Very low104 Ų104122.4 Ų122.473%0.72768%0.684SS**SBendcis-159.6144.7-14.3-71.30000110.6
1126T25.8Very low28.9Very low65 Ų65121.4 Ų121.440%0.39968%0.678SS.*  -156.6160.5-50.8-24.10000109.6P1122 V1123P1122-T1126 HydrophobicContact CB-CG2 3.85Å; V1123-T1126 HydrophobicContact CG2-CG2 4.04Å; V1123-T1126 VanDerWaalsContact CG2-OG1 3.31Å; V1123-T1126 WeakPolarHBondContact CG2-OG1 3.49Å; V1123-T1126 VanDerWaalsContact N-CG2 3.34Å
1127L27.6Very low29Very low126 Ų126119.5 Ų119.566%0.6668%0.675SS**  trans71.7141.3164.6-56.9171000113.9S1121S1121-L1127 WeakPolarHBondContact OG-CD2 3.28Å
1128L22.9Very low29.3Very low120 Ų120120.2 Ų120.263%0.62868%0.679SS**  59.7130.955.5-68.9157.6000110.7N1130L1128-N1130 HydrophobicContact CD2-CB 4.39Å
1129V28.9Very low29.6Very low126 Ų126119 Ų11976%0.76467%0.673SS**  cis-131.4129.329.1178.80000107.9
1130N23.9Very low30.1Very low124 Ų124116 Ų11666%0.66366%0.656SS**  67.1152.869.1-128.868.9000113.6L1128L1128-N1130 HydrophobicContact CD2-CB 4.39Å
1131N30.8Very low30.1Very low118 Ų118110.6 Ų110.663%0.63164%0.636SS**  trans67.6143.5169.9-59.654.8000116.4
1132D27.9Very low30.5Very low120 Ų120113.6 Ų113.664%0.64266%0.657SS**  cis-159.5155.4-16.2-125.4-52.2000113.4
1133S29.4Very low30.6Very low85 Ų85116.7 Ų116.759%0.59467%0.666SS**  trans42.8145140.6-65.20000123.9
1134N32.8Very low30.8Very low144 Ų144118 Ų11877%0.7767%0.669SS**  trans83.3127.3156.9-56.8-38.8000117.8
1135N27.3Very low31Very low147 Ų147119.8 Ų119.879%0.78667%0.665SS**  66.5125.373.6-105.93.9000112
1136T33.2Very low31.2Very low109 Ų109119.2 Ų119.267%0.66965%0.654SS**  cis-156.7159.314.447.10000113.9
1137S31.9Very low31.4Very low92 Ų92125.9 Ų125.964%0.64367%0.674SS**  trans52.9124.9138.865.60000124.9
1138D35.4Very low31.6Very low144 Ų144124.7 Ų124.777%0.7768%0.676SS**  86.2103.9127.7-59.6-19.3000126.4
1139Q35.7Very low32.1Very low142 Ų142128 Ų12866%0.66469%0.685SS**  74.1128.5120.8-71.1-1588.400126.1N1162Q1139-N1162 PolarHBondContact O-ND2 3.15Å
1140K35.8Very low32.1Very low106 Ų106129 Ų12946%0.46169%0.685SS.*  trans68.6162.6141.5-70.2-174.6148.5-700117.5S1161 N1162K1140-S1161 WeakPolarHBondContact O-CB 3.41Å; K1140-S1161 PolarHBondContact O-OG 3.45Å; K1140-N1162 WeakPolarHBondContact CB-OD1 3.04Å; K1140-N1162 PolarHBondContact O-ND2 3.5Å; K1140-N1162 PolarHBondContact O-OD1 2.79Å
1141D34.8Very low32.3Very low78 Ų78130.7 Ų130.742%0.41769%0.693SS.*  cis-154.7163.9-15.6-100.8-12.3000106.5N1162D1141-N1162 PolarHBondContact N-OD1 3.32Å
1142S34.9Very low32.2Very low121 Ų121130.2 Ų130.285%0.84670%0.7SS**  trans-155.5158-172.161.10000116.2
1143I35.7Very low32.2Very low166 Ų166130.4 Ų130.485%0.85171%0.705SS**  trans-134.3123-175.2-72.9-178.9000114.7
1144N32.4Very low32.2Very low125 Ų125132.6 Ų132.667%0.66872%0.715SS**  trans61.5109.3141.3-150.767000124.8
1145E33.3Very low31.7Very low153 Ų153131.5 Ų131.572%0.71572%0.717SS**  47.8154.3129.8-63.5-167.5170.600123.5
1146N34.5Very low31.9Very low93 Ų93130.6 Ų130.650%0.49772%0.716SS.*  cis-155.7162.610.6-142.1-42.9000114.1
1147Y30.4Very low31.9Very low205 Ų205130.6 Ų130.680%0.80472%0.721SS**  trans63.8137.6167.5-62.3-66000119
1148S32.3Very low32.1Very low101 Ų101131.5 Ų131.571%0.70673%0.727SS**  cis-160.2149.1-2.158.90000115.8
1149K32.3Very low32.1Very low189 Ų189130.6 Ų130.682%0.82273%0.732SS**  trans63.6109.4149.6-78.4-172.5175-179.90122.8
1150L29.8Very low32.1Very low147 Ų147127.1 Ų127.177%0.7773%0.734SS**  55.3121.7122.8-72.7167.9000121.8
1151L27.3Very low32.2Very low159 Ų159125.7 Ų125.783%0.83274%0.738SS**  trans57.494.2160.3-89.572000116.8
1152S28.4Very low32.2Very low109 Ų109125.9 Ų125.976%0.76274%0.739SS**  178.216585.753.60000112.8
1153T29.2Very low32.1Very low123 Ų123125.4 Ų125.476%0.75573%0.727SS**  trans57.1111.7145.6-54.50000120.9
1154V28.5Very low32Very low132 Ų132122 Ų12280%0.872%0.718SS**  trans74.6149.5149.7174.10000118.4
1155C23.2Very low32.1Very low121 Ų121123.2 Ų123.282%0.81872%0.722SS**  trans-111132.9-167.5-13.20000112.2
1156V31.1Very low32Very low128 Ų128122.6 Ų122.678%0.77672%0.724SS**  trans-150.5117.9161.2-175.50000110.2
1157S33.7Very low31.9Very low109 Ų109121.9 Ų121.976%0.76273%0.731SS**  trans51.4150.5152.3-56.60000121.7
1158S35.9Very low31.9Very low110 Ų110117.5 Ų117.577%0.76973%0.73SS**  cis-166.3174.3-11.4-94.30000111.1
1159S35.1Very low31.8Very low126 Ų126117.4 Ų117.488%0.88173%0.73SS**  trans-44.5168.5173.7-33.20000116.7
1160G35Very low31.8Very low69 Ų69114.1 Ų114.171%0.71173%0.726SS**  cis156.2-178.88.400000108.9
1161S38.2Very low32Very low76 Ų76113 Ų11353%0.53173%0.725SS.*  cis-178.6149.5-14.9-90.70000110.8K1140K1140-S1161 WeakPolarHBondContact O-CB 3.41Å; K1140-S1161 PolarHBondContact O-OG 3.45Å
1162N34.1Very low31.8Very low81 Ų81116.1 Ų116.143%0.43373%0.727SS.*  trans66.1171.1161-64.5-38000118Q1139 K1140 D1141Q1139-N1162 PolarHBondContact O-ND2 3.15Å; K1140-N1162 WeakPolarHBondContact CB-OD1 3.04Å; K1140-N1162 PolarHBondContact O-ND2 3.5Å; K1140-N1162 PolarHBondContact O-OD1 2.79Å; D1141-N1162 PolarHBondContact N-OD1 3.32Å
1163N33.8Very low32Very low112 Ų112116.2 Ų116.260%0.59973%0.728SS**  cis-171.3174.2-33-91.3-19.5000108.6
1164S33.2Very low32.3Very low95 Ų95119.4 Ų119.466%0.66473%0.732SS**  cis-178.5177.3-35.8-167.90000109.4
1165I34.2Very low32.4Very low149 Ų149121 Ų12176%0.76474%0.735SS**  trans71.9144159.5-82.9166.7000117.6
1166D32.6Very low32.8Very low140 Ų140125.1 Ų125.175%0.74974%0.739SS**  cis-154.6170.62.4-139-21.7000116.6
1167A32.1Very low32.7Very low78 Ų78123.8 Ų123.865%0.64574%0.735SS**  trans43.7133.8146.600000121.3
1168S30.2Very low32.7Very low113 Ų113125.3 Ų125.379%0.7974%0.74SS**  cis-154.5-163.429.7-51.10000110.7
1169S30Very low32.9Very low100 Ų100127.3 Ų127.370%0.69974%0.74SS**  cis-164.1173.84.7-154.20000113.6
1170T32.3Very low32.8Very low119 Ų119127 Ų12773%0.7373%0.734SS**  trans51.3110.2156.5320000123.2
1171T33.1Very low33.1Very low123 Ų123129.7 Ų129.776%0.75574%0.738SS**  trans72102.6141.6350000123
1172Y24.1Very low33Very low225 Ų225135.1 Ų135.188%0.88275%0.753SS**  trans21.3128.2136-70.3-89.4000119.6
1173S32.4Very low33.3Very low111 Ų111140.2 Ų140.278%0.77677%0.774SS**  -178.3159.771.349.50000116
1174K35.4Very low33.7Very low191 Ų191142.7 Ų142.783%0.8378%0.78SS**  trans79.486.2148.3-135.8168.2-169.2172.60121.8
1175L30.9Very low34.7Very low166 Ų166143.3 Ų143.387%0.86978%0.782SS**  trans45.1115.4130.9-62.7170.1000121
1176K31.1Very low35.5Very low207 Ų207141.7 Ų141.790%0.978%0.78SS**  -156.8143.3114-161.7144.6-174.5173.20112.2
1177S30Very low36.9Very low99 Ų99137.2 Ų137.269%0.69276%0.759SS**  trans-90.1157.4175.648.40000112.4
1178T32.3Very low38.8Very low142 Ų142136.6 Ų136.687%0.87175%0.749SS**  trans-145.9125163.9-69.30000107.7
1179I40.1Very low41Very low151 Ų151134.8 Ų134.877%0.77473%0.732SS**PPolyproline II helixtrans-103.2134.1178-65.3171.9000107.2
1180T34.6Very low43.2Very low121 Ų121130.3 Ų130.374%0.74270%0.701SS**PPolyproline II helixtrans-71.2130.5172.140.20000110
1181P39.9Very low45.2Very low124 Ų124128.8 Ų128.881%0.80569%0.687SS**PPolyproline II helixtrans-70.7142.5178.129.5-34.1000110.9
1182F37.1Very low46.9Very low191 Ų191123 Ų12384%0.83865%0.651SS**PPolyproline II helixtrans-61.3134.4167.8-102.5-108.4000110.3F1184F1182-F1184 PolarHBondContact O-N 2.92Å
1183E40.2Very low48.9Very low187 Ų187114.2 Ų114.287%0.87462%0.622SS**  trans-80.3113.5170.9-171.7167.5-168.100109.3
1184F41.9Very low50.7Low164 Ų164113.8 Ų113.872%0.71961%0.611SS**PPolyproline II helixtrans-76136.4175.6-76.2-91000110.3F1182F1182-F1184 PolarHBondContact O-N 2.92Å
1185P53.2Low52.4Low109 Ų109110.4 Ų110.471%0.70860%0.602SS**PPolyproline II helixtrans-61.5154173.127.8-34.9000110.8
1186P53Low54.5Low114 Ų114104.7 Ų104.774%0.7457%0.569SS**PPolyproline II helixtrans-59.3136.9-176.923.8-33.9000111.3
1187P60.6Low56.9Low47 Ų47101.6 Ų101.631%0.30555%0.552SS.*PPolyproline II helixtrans-58.3128.3-176.420.6-31.8000111.2V1189 L1199 T1200P1187-V1189 PolarHBondContact O-N 3.05Å; P1187-L1199 HydrophobicContact CB-CD1 4.06Å; P1187-L1199 HydrophobicContact CB-CG 4.1Å; P1187-L1199 HydrophobicContact CG-CD1 3.86Å; P1187-L1199 HydrophobicContact CG-CD2 4.28Å; P1187-L1199 HydrophobicContact CG-CG 3.95Å; P1187-L1199 WeakPolarHBondContact O-CD1 3.36Å; P1187-T1200 WeakPolarHBondContact CA-O 3.42Å; P1187-T1200 WeakPolarHBondContact CB-O 3.25Å
1188P72.7Confident59.5Low65 Ų6597.2 Ų97.242%0.42252%0.521SS..PPolyproline II helixtrans-67.4137.6-174.322.4-29.5000111.7T1200 Y1202P1188-T1200 WeakPolarHBondContact O-CB 3.33Å; P1188-T1200 PolarHBondContact O-N 3.2Å; P1188-T1200 PolarHBondContact O-OG1 2.88Å; P1188-Y1202 HydrophobicContact CG-CE2 4.5Å
1189V75.3Confident62Low74 Ų7493.3 Ų93.345%0.44849%0.494SS..EExtended strand (participates in β ladder)trans-93.5117.6177.8-175.60000109P1187 R1197 I1198 L1199 Q1231P1187-V1189 PolarHBondContact O-N 3.05Å; V1189-R1197 HydrophobicContact CG1-CB 4Å; V1189-R1197 HydrophobicContact CG1-CG 3.95Å; V1189-I1198 WeakPolarHBondContact CA-O 3.49Å; V1189-L1199 HydrophobicContact CG2-CD1 3.72Å; V1189-Q1231 PolarHBondContact O-NE2 2.96Å
1190L76.1Confident64.3Low6 Ų686.3 Ų86.33%0.03146%0.458CS..EExtended strand (participates in β ladder)trans-92.5150.3166.5-40.5175.8000108.9R1197 I1198 Y1209 A1227 L1228 Q1231L1190-R1197 WeakPolarHBondContact O-CA 3.09Å; L1190-I1198 HydrophobicContact CB-CB 4.22Å; L1190-I1198 PolarHBondContact N-O 2.81Å; L1190-I1198 PolarHBondContact O-N 3.38Å; L1190-Y1209 HydrophobicContact CD1-CD1 4.48Å; L1190-Y1209 HydrophobicContact CD1-CE1 4.22Å; L1190-A1227 HydrophobicContact CB-CB 3.85Å; L1190-A1227 HydrophobicContact CD1-CB 4.26Å; L1190-L1228 HydrophobicContact CD1-CD2 3.76Å; L1190-L1228 HydrophobicContact CD1-CG 3.89Å; L1190-L1228 HydrophobicContact CD2-CD2 4.19Å; L1190-Q1231 VanDerWaalsContact CD2-OE1 3.25Å
1191I76Confident66.7Low88 Ų8882.9 Ų82.945%0.45143%0.434SS..EExtended strand (participates in β ladder)trans-111.6105.9171.2-55.3176.5000107.5
1192G68.9Low69Low0 Ų083.4 Ų83.40%042%0.42CS..  trans-77.8-169.5177.100000113.4R1196G1192-R1196 PolarHBondContact N-O 3.22Å
1193P65.3Low71.5Confident41 Ų4178.2 Ų78.227%0.26640%0.401SS..G310 helixtrans-59156.5164.225.8-33.5000111.7D1195 R1196 V1223 T1226P1193-D1195 PolarHBondContact O-N 2.99Å; P1193-R1196 WeakPolarHBondContact O-CB 3.44Å; P1193-R1196 WeakPolarHBondContact O-CD 3.42Å; P1193-R1196 WeakPolarHBondContact O-CG 3.46Å; P1193-R1196 PolarHBondContact O-N 3.19Å; P1193-V1223 HydrophobicContact CG-CG1 4.11Å; P1193-T1226 HydrophobicContact CG-CG2 4.33Å
1194D69.3Low73.6Confident103 Ų10376.5 Ų76.555%0.55140%0.398SS*.G310 helixtrans54.433.8-176.8-27.1-40.5000114.8R1196 K1213D1194-R1196 HydrophobicContact CB-CG 4.3Å; D1194-R1196 PolarHBondContact O-N 3.15Å; D1194-R1196 IonicContact OD2-CZ 3.61Å; D1194-R1196 IonicContact OD2-NE 2.69Å; D1194-R1196 PolarHBondContact OD2-NE 3.15Å; D1194-R1196 IonicContact OD2-NH2 2.8Å; D1194-R1196 PolarHBondContact OD2-NH2 3.25Å; D1194-K1213 PolarHBondContact O-NZ 3.34Å; D1194-K1213 VanDerWaalsContact O-NZ 3.08Å
1195D71.2Confident75.6Confident119 Ų11972.6 Ų72.664%0.63640%0.404SS*.G310 helixtrans49.124-174.7-62.7-33.2000114.8P1193 R1197P1193-D1195 PolarHBondContact O-N 2.99Å; D1195-R1197 PolarHBondContact O-N 3.43Å
1196R76.3Confident76.8Confident46 Ų4671.6 Ų71.617%0.17439%0.389CS..  trans-61115.5176-66.6172.3-164.9-120.27.7108.8G1192 P1193 D1194 K1213G1192-R1196 PolarHBondContact N-O 3.22Å; P1193-R1196 WeakPolarHBondContact O-CB 3.44Å; P1193-R1196 WeakPolarHBondContact O-CD 3.42Å; P1193-R1196 WeakPolarHBondContact O-CG 3.46Å; P1193-R1196 PolarHBondContact O-N 3.19Å; D1194-R1196 HydrophobicContact CB-CG 4.3Å; D1194-R1196 PolarHBondContact O-N 3.15Å; D1194-R1196 IonicContact OD2-CZ 3.61Å; D1194-R1196 IonicContact OD2-NE 2.69Å; D1194-R1196 PolarHBondContact OD2-NE 3.15Å; D1194-R1196 IonicContact OD2-NH2 2.8Å; D1194-R1196 PolarHBondContact OD2-NH2 3.25Å; R1196-K1213 HydrophobicContact CG-CD 3.86Å
1197R80.9Confident78.4Confident143 Ų14370.2 Ų70.254%0.5438%0.375SS..EExtended strand (participates in β ladder)trans-80.5128.2171.6-75.4163.9-71.4-114.7-12.4108.6V1189 L1190 D1195 S1211 D1212V1189-R1197 HydrophobicContact CG1-CB 4Å; V1189-R1197 HydrophobicContact CG1-CG 3.95Å; L1190-R1197 WeakPolarHBondContact O-CA 3.09Å; D1195-R1197 PolarHBondContact O-N 3.43Å; R1197-S1211 CarbonylContact O-C 3.57Å; R1197-S1211 WeakPolarHBondContact O-CA 3.49Å; R1197-D1212 HydrophobicContact CB-CB 4.19Å; R1197-D1212 IonicContact CZ-OD2 3.19Å; R1197-D1212 PolarHBondContact N-OD1 2.78Å; R1197-D1212 IonicContact NE-OD2 2.78Å; R1197-D1212 PolarHBondContact NE-OD2 3.38Å; R1197-D1212 IonicContact NH2-OD2 2.73Å; R1197-D1212 PolarHBondContact NH2-OD2 3.43Å; R1197-D1212 PolarHBondContact O-N 2.84Å
1198I84.2Confident79.7Confident7 Ų769.2 Ų69.24%0.03637%0.367CS..EExtended strand (participates in β ladder)trans-115114.8179.1-48.8178.3000107.4V1189 L1190 Y1209 V1223 V1224 A1227V1189-I1198 WeakPolarHBondContact CA-O 3.49Å; L1190-I1198 HydrophobicContact CB-CB 4.22Å; L1190-I1198 PolarHBondContact N-O 2.81Å; L1190-I1198 PolarHBondContact O-N 3.38Å; I1198-Y1209 HydrophobicContact CG2-CD1 3.97Å; I1198-Y1209 HydrophobicContact CG2-CG 4.29Å; I1198-V1223 HydrophobicContact CD1-CG1 4.19Å; I1198-V1224 HydrophobicContact CD1-CG2 4.21Å; I1198-V1224 HydrophobicContact CG2-CG2 4.26Å; I1198-A1227 HydrophobicContact CD1-CB 3.77Å
1199L85.7Confident80.4Confident60 Ų6069.6 Ų69.631%0.31436%0.36SS..EExtended strand (participates in β ladder)trans-91.6125.4179.7-162.861.4000109.5P1187 V1189 H1201 Y1209 E1210P1187-L1199 HydrophobicContact CB-CD1 4.06Å; P1187-L1199 HydrophobicContact CB-CG 4.1Å; P1187-L1199 HydrophobicContact CG-CD1 3.86Å; P1187-L1199 HydrophobicContact CG-CD2 4.28Å; P1187-L1199 HydrophobicContact CG-CG 3.95Å; P1187-L1199 WeakPolarHBondContact O-CD1 3.36Å; V1189-L1199 HydrophobicContact CG2-CD1 3.72Å; L1199-H1201 VanDerWaalsContact CD2-CE1 3.45Å; L1199-H1201 WeakPolarHBondContact CD2-CE1 3.27Å; L1199-H1201 WeakPolarHBondContact CD2-NE2 3.47Å; L1199-Y1209 WeakPolarHBondContact O-CA 3.42Å; L1199-E1210 PolarHBondContact N-O 2.7Å; L1199-E1210 PolarHBondContact O-N 2.94Å
1200T87Confident80.9Confident4 Ų470 Ų703%0.02536%0.357CS..EExtended strand (participates in β ladder)trans-10196.7-173.8-49.90000111P1187 P1188 Y1202 I1207 Y1209P1187-T1200 WeakPolarHBondContact CA-O 3.42Å; P1187-T1200 WeakPolarHBondContact CB-O 3.25Å; P1188-T1200 WeakPolarHBondContact O-CB 3.33Å; P1188-T1200 PolarHBondContact O-N 3.2Å; P1188-T1200 PolarHBondContact O-OG1 2.88Å; T1200-Y1202 HydrophobicContact CG2-CE2 3.87Å; T1200-I1207 HydrophobicContact CG2-CG2 3.64Å; T1200-Y1209 HydrophobicContact CG2-CD1 3.93Å; T1200-Y1209 HydrophobicContact CG2-CE1 3.48Å; T1200-Y1209 VanDerWaalsContact CG2-CE1 3.48Å
1201H85.2Confident81.3Confident48 Ų4871.9 Ų71.922%0.22237%0.371CS..EExtended strand (participates in β ladder)trans-87.5137.5179-56.8-88000111.6L1199 I1203 I1207 I1208L1199-H1201 VanDerWaalsContact CD2-CE1 3.45Å; L1199-H1201 WeakPolarHBondContact CD2-CE1 3.27Å; L1199-H1201 WeakPolarHBondContact CD2-NE2 3.47Å; H1201-I1203 HydrophobicContact CB-CD1 4.35Å; H1201-I1203 HydrophobicContact CB-CG1 4.29Å; H1201-I1207 CarbonylContact O-C 3.31Å; H1201-I1207 WeakPolarHBondContact O-CA 3.46Å; H1201-I1208 HydrophobicContact CB-CB 4.27Å; H1201-I1208 PolarHBondContact N-O 3.25Å; H1201-I1208 PolarHBondContact O-N 2.98Å
1202Y88.5Confident81.6Confident135 Ų13571.1 Ų71.153%0.52937%0.367SS..EExtended strand (participates in β ladder)trans-108.7116.8169.6-63.5-95.1000108P1188 T1200 H1206 I1207P1188-Y1202 HydrophobicContact CG-CE2 4.5Å; T1200-Y1202 HydrophobicContact CG2-CE2 3.87Å; Y1202-H1206 WeakPolarHBondContact CA-O 3.34Å; Y1202-I1207 HydrophobicContact CD1-CD1 4.39Å; Y1202-I1207 HydrophobicContact CD1-CG1 3.89Å; Y1202-I1207 HydrophobicContact CE1-CD1 3.72Å; Y1202-I1207 HydrophobicContact CE1-CG1 3.71Å; Y1202-I1207 HydrophobicContact CE1-CG2 4.44Å
1203I89Confident82.1Confident83 Ų8374.8 Ų74.843%0.42638%0.384SS..EExtended strand (participates in β ladder)trans-138.3118.2-176.8-52.4-176.5000108.7H1201 G1205 H1206 I1208H1201-I1203 HydrophobicContact CB-CD1 4.35Å; H1201-I1203 HydrophobicContact CB-CG1 4.29Å; I1203-G1205 VanDerWaalsContact C-N 3.27Å; I1203-G1205 PolarHBondContact O-N 3.19Å; I1203-H1206 PolarHBondContact N-O 3.28Å; I1203-H1206 WeakPolarHBondContact O-CA 3.28Å; I1203-H1206 WeakPolarHBondContact O-CB 3.38Å; I1203-H1206 PolarHBondContact O-N 3.44Å; I1203-I1208 HydrophobicContact CD1-CD1 4.36Å
1204D84.7Confident82.5Confident151 Ų15178.4 Ų78.481%0.80741%0.407SS*.THydrogen-bonded Turntrans47.845.7176.2-55.5-24.6000113.9H1206D1204-H1206 VanDerWaalsContact C-N 3.29Å; D1204-H1206 PolarHBondContact O-CE1 3.4Å; D1204-H1206 VanDerWaalsContact O-CE1 3.26Å; D1204-H1206 PolarHBondContact O-N 2.78Å; D1204-H1206 PolarHBondContact O-ND1 2.93Å
1205G84.2Confident82.8Confident82 Ų8278.7 Ų78.785%0.84540%0.403SS*.THydrogen-bonded Turntrans83-8.8-178.100000115.6I1203I1203-G1205 VanDerWaalsContact C-N 3.27Å; I1203-G1205 PolarHBondContact O-N 3.19Å
1206H78.8Confident82.9Confident88 Ų8878.8 Ų78.841%0.40741%0.411SS..EExtended strand (participates in β ladder)trans-99.3141.3-177.3-55.296.1000112.1F832 Y1202 I1203 D1204F832-H1206 AromaticContact CE2-CD2 3.41Å; F832-H1206 VanDerWaalsContact CE2-CD2 3.41Å; F832-H1206 WeakPolarHBondContact CE2-CD2 3.27Å; F832-H1206 AromaticContact CE2-CE1 3.97Å; F832-H1206 AromaticContact CE2-CG 3.97Å; F832-H1206 AromaticContact CE2-NE2 3.39Å; F832-H1206 WeakPolarHBondContact CE2-NE2 3.4Å; F832-H1206 AromaticContact CZ-CD2 3.36Å; F832-H1206 WeakPolarHBondContact CZ-CD2 3.43Å; F832-H1206 AromaticContact CZ-NE2 3.59Å; Y1202-H1206 WeakPolarHBondContact CA-O 3.34Å; I1203-H1206 PolarHBondContact N-O 3.28Å; I1203-H1206 WeakPolarHBondContact O-CA 3.28Å; I1203-H1206 WeakPolarHBondContact O-CB 3.38Å; I1203-H1206 PolarHBondContact O-N 3.44Å; D1204-H1206 VanDerWaalsContact C-N 3.29Å; D1204-H1206 PolarHBondContact O-CE1 3.4Å; D1204-H1206 VanDerWaalsContact O-CE1 3.26Å; D1204-H1206 PolarHBondContact O-N 2.78Å; D1204-H1206 PolarHBondContact O-ND1 2.93Å
1207I86.9Confident82.7Confident85 Ų8578.6 Ų78.644%0.43642%0.415SS..EExtended strand (participates in β ladder)trans-97.4125.3174.3-49.9-178.3000108.7T1200 H1201 Y1202 Y1209T1200-I1207 HydrophobicContact CG2-CG2 3.64Å; H1201-I1207 CarbonylContact O-C 3.31Å; H1201-I1207 WeakPolarHBondContact O-CA 3.46Å; Y1202-I1207 HydrophobicContact CD1-CD1 4.39Å; Y1202-I1207 HydrophobicContact CD1-CG1 3.89Å; Y1202-I1207 HydrophobicContact CE1-CD1 3.72Å; Y1202-I1207 HydrophobicContact CE1-CG1 3.71Å; Y1202-I1207 HydrophobicContact CE1-CG2 4.44Å; I1207-Y1209 HydrophobicContact CG2-CD2 4.42Å; I1207-Y1209 HydrophobicContact CG2-CE1 4.19Å; I1207-Y1209 HydrophobicContact CG2-CE2 3.8Å
1208I87.5Confident82.4Confident26 Ų2676.8 Ų76.813%0.13341%0.411CS..EExtended strand (participates in β ladder)trans-122.6116.3178.9-66177.2000108.6R830 H1201 I1203R830-I1208 VanDerWaalsContact NH1-CG2 3.3Å; H1201-I1208 HydrophobicContact CB-CB 4.27Å; H1201-I1208 PolarHBondContact N-O 3.25Å; H1201-I1208 PolarHBondContact O-N 2.98Å; I1203-I1208 HydrophobicContact CD1-CD1 4.36Å
1209Y87Confident82.1Confident73 Ų7382.4 Ų82.429%0.28644%0.44SS..EExtended strand (participates in β ladder)trans-89124.4171.4-59.7-77.2000109.6L1190 I1198 L1199 T1200 I1207 V1224L1190-Y1209 HydrophobicContact CD1-CD1 4.48Å; L1190-Y1209 HydrophobicContact CD1-CE1 4.22Å; I1198-Y1209 HydrophobicContact CG2-CD1 3.97Å; I1198-Y1209 HydrophobicContact CG2-CG 4.29Å; L1199-Y1209 WeakPolarHBondContact O-CA 3.42Å; T1200-Y1209 HydrophobicContact CG2-CD1 3.93Å; T1200-Y1209 HydrophobicContact CG2-CE1 3.48Å; T1200-Y1209 VanDerWaalsContact CG2-CE1 3.48Å; I1207-Y1209 HydrophobicContact CG2-CD2 4.42Å; I1207-Y1209 HydrophobicContact CG2-CE1 4.19Å; I1207-Y1209 HydrophobicContact CG2-CE2 3.8Å; Y1209-V1224 HydrophobicContact CD1-CG1 3.79Å; Y1209-V1224 HydrophobicContact CD1-CG2 4.24Å; Y1209-V1224 HydrophobicContact CD2-CG1 3.81Å; Y1209-V1224 HydrophobicContact CD2-CG2 4.05Å; Y1209-V1224 HydrophobicContact CE1-CG1 3.69Å; Y1209-V1224 HydrophobicContact CE2-CG1 3.73Å; Y1209-V1224 HydrophobicContact CG-CB 4.49Å; Y1209-V1224 HydrophobicContact CG-CG1 3.84Å; Y1209-V1224 HydrophobicContact CG-CG2 3.74Å
1210E86.6Confident81.9Confident83 Ų8380.9 Ų80.939%0.38844%0.44SS..EExtended strand (participates in β ladder)trans-122122.5178.6-170.1151140.800110.1R829 R830 L1199R829-E1210 IonicContact NH1-OE2 3.78Å; R830-E1210 IonicContact NH1-OE2 3.61Å; L1199-E1210 PolarHBondContact N-O 2.7Å; L1199-E1210 PolarHBondContact O-N 2.94Å
1211S84.2Confident81.6Confident44 Ų4486.2 Ų86.231%0.30847%0.466SS..EExtended strand (participates in β ladder)trans-88.3149.7-17854.80000112.8R1197 K1213R1197-S1211 CarbonylContact O-C 3.57Å; R1197-S1211 WeakPolarHBondContact O-CA 3.49Å; S1211-K1213 PolarHBondContact O-N 3.24Å; S1211-K1213 PolarHBondContact OG-O 3.38Å
1212D82.1Confident81.6Confident72 Ų7288.2 Ų88.239%0.38548%0.477SS..SBendtrans-74.90.2175.672.2-24000115.4R1197R1197-D1212 HydrophobicContact CB-CB 4.19Å; R1197-D1212 IonicContact CZ-OD2 3.19Å; R1197-D1212 PolarHBondContact N-OD1 2.78Å; R1197-D1212 IonicContact NE-OD2 2.78Å; R1197-D1212 PolarHBondContact NE-OD2 3.38Å; R1197-D1212 IonicContact NH2-OD2 2.73Å; R1197-D1212 PolarHBondContact NH2-OD2 3.43Å; R1197-D1212 PolarHBondContact O-N 2.84Å
1213K79.7Confident81.3Confident78 Ų7883.1 Ų83.134%0.33946%0.46SS..SBendtrans-98.8139.5171.2-62.4-175.6-174.9170.20110.4D1194 R1196 S1211 F1215D1194-K1213 PolarHBondContact O-NZ 3.34Å; D1194-K1213 VanDerWaalsContact O-NZ 3.08Å; R1196-K1213 HydrophobicContact CG-CD 3.86Å; S1211-K1213 PolarHBondContact O-N 3.24Å; S1211-K1213 PolarHBondContact OG-O 3.38Å; K1213-F1215 PolarHBondContact O-N 3.12Å
1214P72.7Confident81.1Confident116 Ų11679.6 Ų79.675%0.75344%0.442SS*.SBendtrans-81-11-164.731.4-37.3000115.9
1215F77.4Confident81Confident109 Ų10976.6 Ų76.648%0.47842%0.423SS..SBendtrans-104.4152.3-175.3-62.5-62.9000112.5K1213 V1217 P1563K1213-F1215 PolarHBondContact O-N 3.12Å; F1215-V1217 PolarHBondContact O-N 3.12Å; F1215-P1563 HydrophobicContact CE2-CG 4.14Å; F1215-P1563 HydrophobicContact CZ-CG 3.86Å
1216P72.8Confident81Confident122 Ų12275.6 Ų75.679%0.79240%0.401SS*.PPolyproline II helixtrans-57.2132.7175.6-22.933.9000111.9
1217V71.2Confident81.2Confident42 Ų4271.4 Ų71.426%0.25538%0.381SS..PPolyproline II helixtrans-93.9117.1-179.7-1760000109.6F1215 N1219 G1220 V1223F1215-V1217 PolarHBondContact O-N 3.12Å; V1217-N1219 PolarHBondContact O-N 2.93Å; V1217-G1220 PolarHBondContact O-N 2.81Å; V1217-V1223 HydrophobicContact CG1-CG2 3.86Å
1218K74.7Confident81Confident105 Ų10570.1 Ų70.146%0.45738%0.375SS..THydrogen-bonded Turntrans-56132.1172-75.7166.3177.61600109.3G1220 D1547K1218-G1220 VanDerWaalsContact C-N 3.29Å; K1218-G1220 PolarHBondContact O-N 2.69Å; K1218-D1547 WeakPolarHBondContact CE-OD2 3.43Å; K1218-D1547 IonicContact NZ-OD2 2.71Å; K1218-D1547 PolarHBondContact NZ-OD2 3.36Å
1219N77.8Confident80.6Confident124 Ų12474.5 Ų74.566%0.66340%0.396SS*.THydrogen-bonded Turntrans51.938.1-171.8-59.7-6.2000114.9V1217 M1221 I1222V1217-N1219 PolarHBondContact O-N 2.93Å; N1219-M1221 PolarHBondContact O-N 2.87Å; N1219-I1222 HydrophobicContact CB-CB 4.44Å; N1219-I1222 HydrophobicContact CB-CD1 3.86Å; N1219-I1222 HydrophobicContact CB-CG1 4.14Å; N1219-I1222 WeakPolarHBondContact O-CB 3.45Å; N1219-I1222 PolarHBondContact O-N 2.94Å
1220G81.7Confident79.9Confident29 Ų2975.9 Ų75.930%0.29940%0.404SS..Hα-helixtrans-50.3-26.7-173.400000117.1V1217 K1218 V1223 V1224V1217-G1220 PolarHBondContact O-N 2.81Å; K1218-G1220 VanDerWaalsContact C-N 3.29Å; K1218-G1220 PolarHBondContact O-N 2.69Å; G1220-V1223 PolarHBondContact O-N 3.02Å; G1220-V1224 WeakPolarHBondContact O-CG2 3.33Å; G1220-V1224 PolarHBondContact O-N 3.21Å
1221M82Confident78.7Confident116 Ų11676 Ų7657%0.57140%0.404SS*.Hα-helixtrans-65.7-38.3173.1-166.763.674.700112.6N1219 V1223 V1224 E1225N1219-M1221 PolarHBondContact O-N 2.87Å; M1221-V1223 PolarHBondContact O-N 2.9Å; M1221-V1224 CarbonylContact O-C 3.57Å; M1221-V1224 WeakPolarHBondContact O-CA 3.5Å; M1221-V1224 WeakPolarHBondContact O-CB 3.28Å; M1221-V1224 PolarHBondContact O-N 2.69Å; M1221-V1224 HydrophobicContact SD-CB 4.41Å; M1221-E1225 HydrophobicContact CG-CG 4.39Å; M1221-E1225 WeakPolarHBondContact CG-OE1 3.46Å; M1221-E1225 WeakPolarHBondContact O-CG 3.41Å; M1221-E1225 PolarHBondContact O-N 3.44Å
1222I83.6Confident77.4Confident90 Ų9080 Ų8046%0.46242%0.418SS..Hα-helixtrans-62.4-34.2176.3-56.8-176.6000110.3N1219 T1226N1219-I1222 HydrophobicContact CB-CB 4.44Å; N1219-I1222 HydrophobicContact CB-CD1 3.86Å; N1219-I1222 HydrophobicContact CB-CG1 4.14Å; N1219-I1222 WeakPolarHBondContact O-CB 3.45Å; N1219-I1222 PolarHBondContact O-N 2.94Å; I1222-T1226 VanDerWaalsContact O-CB 3.27Å; I1222-T1226 WeakPolarHBondContact O-CB 3.32Å; I1222-T1226 PolarHBondContact O-N 3.47Å; I1222-T1226 PolarHBondContact O-OG1 3.22Å
1223V82.8Confident76Confident27 Ų2780 Ų8016%0.16442%0.424CS..Hα-helixtrans-69.4-35.8176.1-178.60000111.5P1193 I1198 V1217 G1220 M1221 A1227P1193-V1223 HydrophobicContact CG-CG1 4.11Å; I1198-V1223 HydrophobicContact CD1-CG1 4.19Å; V1217-V1223 HydrophobicContact CG1-CG2 3.86Å; G1220-V1223 PolarHBondContact O-N 3.02Å; M1221-V1223 PolarHBondContact O-N 2.9Å; V1223-A1227 WeakPolarHBondContact O-CB 3.41Å; V1223-A1227 PolarHBondContact O-N 2.93Å; V1223-A1227 VanDerWaalsContact O-N 3.12Å
1224V83.9Confident74.2Confident9 Ų980.8 Ų80.86%0.05544%0.438CS..Hα-helixtrans-68.7-48.4172.1173.90000111.4I1198 Y1209 G1220 M1221 T1226 A1227 L1228I1198-V1224 HydrophobicContact CD1-CG2 4.21Å; I1198-V1224 HydrophobicContact CG2-CG2 4.26Å; Y1209-V1224 HydrophobicContact CD1-CG1 3.79Å; Y1209-V1224 HydrophobicContact CD1-CG2 4.24Å; Y1209-V1224 HydrophobicContact CD2-CG1 3.81Å; Y1209-V1224 HydrophobicContact CD2-CG2 4.05Å; Y1209-V1224 HydrophobicContact CE1-CG1 3.69Å; Y1209-V1224 HydrophobicContact CE2-CG1 3.73Å; Y1209-V1224 HydrophobicContact CG-CB 4.49Å; Y1209-V1224 HydrophobicContact CG-CG1 3.84Å; Y1209-V1224 HydrophobicContact CG-CG2 3.74Å; G1220-V1224 WeakPolarHBondContact O-CG2 3.33Å; G1220-V1224 PolarHBondContact O-N 3.21Å; M1221-V1224 CarbonylContact O-C 3.57Å; M1221-V1224 WeakPolarHBondContact O-CA 3.5Å; M1221-V1224 WeakPolarHBondContact O-CB 3.28Å; M1221-V1224 PolarHBondContact O-N 2.69Å; M1221-V1224 HydrophobicContact SD-CB 4.41Å; V1224-T1226 VanDerWaalsContact C-N 3.34Å; V1224-T1226 PolarHBondContact O-N 2.83Å; V1224-A1227 WeakPolarHBondContact O-CB 3.37Å; V1224-A1227 PolarHBondContact O-N 2.86Å; V1224-A1227 VanDerWaalsContact O-N 3.12Å; V1224-L1228 HydrophobicContact CG1-CD1 3.92Å; V1224-L1228 HydrophobicContact CG1-CG 4.49Å; V1224-L1228 WeakPolarHBondContact O-CG 3.33Å; V1224-L1228 PolarHBondContact O-N 3.02Å
1225E84.1Confident72.8Confident89 Ų8982.1 Ų82.142%0.41644%0.438SS..Hα-helixtrans-57.6-46176.2-73.1168.6-169.800111.2M1221 A1227 L1228 M1229M1221-E1225 HydrophobicContact CG-CG 4.39Å; M1221-E1225 WeakPolarHBondContact CG-OE1 3.46Å; M1221-E1225 WeakPolarHBondContact O-CG 3.41Å; M1221-E1225 PolarHBondContact O-N 3.44Å; E1225-A1227 VanDerWaalsContact C-N 3.31Å; E1225-A1227 PolarHBondContact O-N 3.16Å; E1225-L1228 PolarHBondContact O-N 3.06Å; E1225-M1229 HydrophobicContact CB-CE 4.5Å; E1225-M1229 WeakPolarHBondContact O-CB 3.14Å; E1225-M1229 VanDerWaalsContact O-CG 3.28Å; E1225-M1229 WeakPolarHBondContact O-CG 3.42Å; E1225-M1229 PolarHBondContact O-N 3.49Å
1226T83.8Confident70.8Confident60 Ų6082.8 Ų82.837%0.36845%0.451SS..Hα-helixtrans-60.6-39.6175.8-56.40000111.6P1193 I1222 V1224 K1230P1193-T1226 HydrophobicContact CG-CG2 4.33Å; I1222-T1226 VanDerWaalsContact O-CB 3.27Å; I1222-T1226 WeakPolarHBondContact O-CB 3.32Å; I1222-T1226 PolarHBondContact O-N 3.47Å; I1222-T1226 PolarHBondContact O-OG1 3.22Å; V1224-T1226 VanDerWaalsContact C-N 3.34Å; V1224-T1226 PolarHBondContact O-N 2.83Å; T1226-K1230 VanDerWaalsContact O-CB 3.25Å; T1226-K1230 WeakPolarHBondContact O-CB 3.35Å; T1226-K1230 PolarHBondContact O-N 2.96Å
1227A82.7Confident68.8Low0 Ų081.9 Ų81.90%045%0.448CS..Hα-helixtrans-66.9-40.7176.500000112.4L1190 I1198 V1223 V1224 E1225 K1230 Q1231L1190-A1227 HydrophobicContact CB-CB 3.85Å; L1190-A1227 HydrophobicContact CD1-CB 4.26Å; I1198-A1227 HydrophobicContact CD1-CB 3.77Å; V1223-A1227 WeakPolarHBondContact O-CB 3.41Å; V1223-A1227 PolarHBondContact O-N 2.93Å; V1223-A1227 VanDerWaalsContact O-N 3.12Å; V1224-A1227 WeakPolarHBondContact O-CB 3.37Å; V1224-A1227 PolarHBondContact O-N 2.86Å; V1224-A1227 VanDerWaalsContact O-N 3.12Å; E1225-A1227 VanDerWaalsContact C-N 3.31Å; E1225-A1227 PolarHBondContact O-N 3.16Å; A1227-K1230 PolarHBondContact O-N 2.99Å; A1227-Q1231 PolarHBondContact O-N 3.24Å
1228L82.2Confident66.9Low58 Ų5885.2 Ų85.230%0.30447%0.473SS..Hα-helixtrans-66.1-46.5175.7-71.5166.1000111.6L1190 V1224 E1225 K1230 Q1231 Q1232L1190-L1228 HydrophobicContact CD1-CD2 3.76Å; L1190-L1228 HydrophobicContact CD1-CG 3.89Å; L1190-L1228 HydrophobicContact CD2-CD2 4.19Å; V1224-L1228 HydrophobicContact CG1-CD1 3.92Å; V1224-L1228 HydrophobicContact CG1-CG 4.49Å; V1224-L1228 WeakPolarHBondContact O-CG 3.33Å; V1224-L1228 PolarHBondContact O-N 3.02Å; E1225-L1228 PolarHBondContact O-N 3.06Å; L1228-K1230 VanDerWaalsContact C-N 3.32Å; L1228-K1230 PolarHBondContact O-N 2.86Å; L1228-Q1231 PolarHBondContact O-N 3.2Å; L1228-Q1232 WeakPolarHBondContact O-CG 3.34Å; L1228-Q1232 PolarHBondContact O-N 2.77Å
1229M79.9Confident64.8Low118 Ų11886.2 Ų86.258%0.58149%0.488SS*.Hα-helixtrans-61.7-39.5175.4-69.8176.6-172.600111.6E1225 Q1231 Q1232 S1233E1225-M1229 HydrophobicContact CB-CE 4.5Å; E1225-M1229 WeakPolarHBondContact O-CB 3.14Å; E1225-M1229 VanDerWaalsContact O-CG 3.28Å; E1225-M1229 WeakPolarHBondContact O-CG 3.42Å; E1225-M1229 PolarHBondContact O-N 3.49Å; M1229-Q1231 PolarHBondContact O-N 3.21Å; M1229-Q1232 PolarHBondContact O-N 2.74Å; M1229-S1233 PolarHBondContact O-N 3.44Å
1230K71.6Confident62.5Low103 Ų10387.6 Ų87.645%0.44850%0.495SS..Hα-helixtrans-62.3-42.1174.6-168175.4179-1750111.3T1226 A1227 L1228 S1233 C1234T1226-K1230 VanDerWaalsContact O-CB 3.25Å; T1226-K1230 WeakPolarHBondContact O-CB 3.35Å; T1226-K1230 PolarHBondContact O-N 2.96Å; A1227-K1230 PolarHBondContact O-N 2.99Å; L1228-K1230 VanDerWaalsContact C-N 3.32Å; L1228-K1230 PolarHBondContact O-N 2.86Å; K1230-S1233 PolarHBondContact O-N 3.31Å; K1230-S1233 PolarHBondContact O-OG 2.9Å; K1230-C1234 PolarHBondContact O-N 2.92Å; K1230-C1234 PolarHBondContact O-SG 2.95Å
1231Q62.6Low59.9Low85 Ų8592 Ų9240%0.39752%0.522SS..Hα-helixtrans-64.7-36.7172.7-79.3-164.4-13.800113.6V1189 L1190 A1227 L1228 M1229 S1233 C1234V1189-Q1231 PolarHBondContact O-NE2 2.96Å; L1190-Q1231 VanDerWaalsContact CD2-OE1 3.25Å; A1227-Q1231 PolarHBondContact O-N 3.24Å; L1228-Q1231 PolarHBondContact O-N 3.2Å; M1229-Q1231 PolarHBondContact O-N 3.21Å; Q1231-S1233 VanDerWaalsContact C-N 3.35Å; Q1231-C1234 PolarHBondContact O-SG 3.46Å
1232Q56.3Low57.7Low127 Ų12792.2 Ų92.259%0.59353%0.531SS*.Hα-helixtrans-66-37.8173.6-69.2176.99.700111.6L1228 M1229 C1234 L1235 V1236L1228-Q1232 WeakPolarHBondContact O-CG 3.34Å; L1228-Q1232 PolarHBondContact O-N 2.77Å; M1229-Q1232 PolarHBondContact O-N 2.74Å; Q1232-C1234 PolarHBondContact O-N 3.49Å; Q1232-L1235 PolarHBondContact O-N 3.28Å; Q1232-V1236 PolarHBondContact O-N 3.48Å
1233S52.2Low55.2Low73 Ų7395.8 Ų95.851%0.5155%0.551SS.*Hα-helixtrans-61.6-38.3179.976.90000113.4M1229 K1230 Q1231 L1235 V1236M1229-S1233 PolarHBondContact O-N 3.44Å; K1230-S1233 PolarHBondContact O-N 3.31Å; K1230-S1233 PolarHBondContact O-OG 2.9Å; Q1231-S1233 VanDerWaalsContact C-N 3.35Å; S1233-L1235 VanDerWaalsContact C-N 3.29Å; S1233-L1235 PolarHBondContact O-N 2.82Å; S1233-V1236 PolarHBondContact O-N 2.86Å
1234C42.8Very low52.6Low95 Ų95103.1 Ų103.164%0.64258%0.58SS**THydrogen-bonded Turntrans-78.6-6.8175.5530000114.4K1230 Q1231 Q1232K1230-C1234 PolarHBondContact O-N 2.92Å; K1230-C1234 PolarHBondContact O-SG 2.95Å; Q1231-C1234 PolarHBondContact O-SG 3.46Å; Q1232-C1234 PolarHBondContact O-N 3.49Å
1235L43.2Very low49.9Very low144 Ų144108 Ų10875%0.75461%0.611SS**THydrogen-bonded Turntrans-89.7-11.9170.7-89.2164.1000113.8Q1232 S1233Q1232-L1235 PolarHBondContact O-N 3.28Å; S1233-L1235 VanDerWaalsContact C-N 3.29Å; S1233-L1235 PolarHBondContact O-N 2.82Å
1236V35.8Very low47.2Very low122 Ų122113.2 Ų113.274%0.73963%0.632SS**SBendtrans-94.5-10.2-178.4177.60000112.8Q1232 S1233 S1238Q1232-V1236 PolarHBondContact O-N 3.48Å; S1233-V1236 PolarHBondContact O-N 2.86Å; V1236-S1238 PolarHBondContact O-N 3.18Å
1237S29.5Very low44.8Very low103 Ų103117.4 Ų117.472%0.7265%0.652SS**SBendtrans-99.560178.2-65.70000113.3
1238S31.8Very low42.3Very low113 Ų113124.3 Ų124.379%0.7969%0.687SS**SBendtrans-153.4134.6162.6-80.90000110.2V1236V1236-S1238 PolarHBondContact O-N 3.18Å
1239T31.5Very low39.9Very low126 Ų126128.4 Ų128.477%0.77371%0.709SS**  trans-105.7137.4-157.8550000115.2
1240N28.4Very low37.6Very low153 Ų153125.1 Ų125.182%0.81871%0.706SS**  trans56.694.7149.6-58.5-40000119.1
1241S27.8Very low35.6Very low122 Ų122130.4 Ų130.485%0.85372%0.724SS**  -172.5158.4120.939.30000111.6
1242P35.8Very low34.1Very low119 Ų119132.8 Ų132.877%0.77374%0.736SS**  trans-119.3118.7-163.836.4-21.4000115.5
1243L30.6Very low32.9Very low165 Ų165134.9 Ų134.986%0.86475%0.751SS**  trans-136.3119.6153.7-68.3175.2000106.7
1244K28.6Very low31.9Very low182 Ų182134.1 Ų134.179%0.79175%0.754SS**  77.390.550.6-160.2179.2-173.7-1760112.8
1245T26.1Very low31.3Very low112 Ų112136.3 Ų136.369%0.68777%0.765SS**  trans42.6104.3142.9-47.30000118.6L1247T1245-L1247 HydrophobicContact CG2-CB 4.22Å
1246F27.8Very low30.6Very low198 Ų198137.6 Ų137.687%0.86877%0.769SS**  trans-100.685148.8-85.5-79.7000110.4
1247L33.9Very low30.3Very low148 Ų148136.3 Ų136.378%0.77577%0.765SS**  trans-122.5121.2151.7-10887000106.8T1245T1245-L1247 HydrophobicContact CG2-CB 4.22Å
1248I30.6Very low30.4Very low144 Ų144137.2 Ų137.274%0.73877%0.767SS**  trans-150.5135.8172.1-65.1-175.6000105.9
1249N31.9Very low30.1Very low144 Ų144137.6 Ų137.677%0.7776%0.764SS**  cis-162.9174.1-23.9-94.4-7.4000104.6
1250G31.7Very low30.2Very low50 Ų50141.2 Ų141.252%0.51577%0.769SS.*  cis-148.9-157.2-6.300000107.4E1252G1250-E1252 WeakPolarHBondContact CA-OE2 3.5Å
1251Y29.4Very low30.1Very low214 Ų214138.9 Ų138.984%0.83976%0.764SS**  cis-154.5159.427.2-138.4-86.8000111.9
1252E31.7Very low30.6Very low135 Ų135138.4 Ų138.463%0.63176%0.758SS**  trans-141.6165.5-164-40.172.923.700111.2G1250G1250-E1252 WeakPolarHBondContact CA-OE2 3.5Å
1253D30Very low30.4Very low171 Ų171139.1 Ų139.191%0.91476%0.761SS**  cis-160.4173.2-3-174.127.2000110.6
1254G30.8Very low30.5Very low57 Ų57135 Ų13559%0.58875%0.751SS**  trans120.5155.7160.600000117.3
1255V31.6Very low30.6Very low141 Ų141131.6 Ų131.686%0.85575%0.747SS**  cis-151.6143.18.8173.50000112
1256M27.8Very low30.7Very low171 Ų171130.2 Ų130.284%0.84274%0.742SS**  trans13.5140.8150.8-129.96779.400119.8
1257S29.4Very low30.7Very low94 Ų94130.1 Ų130.166%0.65774%0.742SS**  179.8149.952.655.80000117.8
1258T30.6Very low30.5Very low123 Ų123127.6 Ų127.676%0.75574%0.736SS**  trans63.5107.4144.947.60000125.3
1259V25.5Very low30.5Very low120 Ų120126.3 Ų126.373%0.72774%0.74SS**  72.9103.1118.2175.50000121.5
1260K33.5Very low30.2Very low203 Ų203127.4 Ų127.488%0.88375%0.745SS**  -174.9146.9110.3-107.9151.8-174.61740114
1261S28.2Very low30.1Very low104 Ų104134.1 Ų134.173%0.72776%0.76SS**  trans-104.9-174.5164.166.20000109.3
1262P37.3Very low30Very low112 Ų112129.6 Ų129.673%0.72776%0.755SS**  cis-87.6-16838.136.8-40.9000114.4
1263T32.5Very low29.8Very low133 Ų133129.6 Ų129.682%0.81676%0.764SS**  cis-152.8178.719.6-30.50000112.3
1264A32Very low29.7Very low80 Ų80125.5 Ų125.566%0.66175%0.754SS**  trans-135176.8170.600000110
1265P31Very low29.7Very low110 Ų110129.9 Ų129.971%0.71477%0.769SS**  -114.5148.752.87.316.4000112.7
1266S26.7Very low29.8Very low82 Ų82131.6 Ų131.657%0.57377%0.765SS**  59.8134.16682.60000113.6
1267F29.2Very low30.1Very low197 Ų197129.4 Ų129.486%0.86476%0.764SS**  -135.617052.4-79.7-86000117.2
1268S29.3Very low29.9Very low95 Ų95130 Ų13066%0.66476%0.763SS**  trans-105.2134.5-171.344.90000111.6
1269S30Very low30Very low117 Ų117130.5 Ų130.582%0.81876%0.761SS**  98167.795.3-67.50000115
1270L26.9Very low30.3Very low167 Ų167130.2 Ų130.287%0.87476%0.755SS**SBendtrans-81.1147.9-170.5-5987000113.2
1271K28Very low30.3Very low190 Ų190127.9 Ų127.983%0.82675%0.747SS**SBendtrans46.391.2142.8-161173-176.3176.20118.5
1272T27.2Very low30.5Very low119 Ų119130.4 Ų130.473%0.7375%0.748SS**  trans83.6122.6132.2-53.20000119.5
1273T27.6Very low30.2Very low136 Ų136129 Ų12983%0.83474%0.741SS**  trans92.1144.3161.5-10.80000119.8
1274A28.4Very low30.2Very low84 Ų84131.6 Ų131.669%0.69474%0.744SS**  trans84.186.2155.700000120.8
1275V30.7Very low30.3Very low150 Ų150131.8 Ų131.891%0.90975%0.745SS**  61137.6129.8-176.90000120.6
1276K33.2Very low30.4Very low177 Ų177133.4 Ų133.477%0.7775%0.747SS**  trans-74156.5178.5-50.2175.8179.8179.90113.7
1277P34Very low30.7Very low125 Ų125136.5 Ų136.581%0.81276%0.755SS**  trans-85.9151.4141.235.2-29.9000111.7
1278V27Very low30.8Very low106 Ų106131 Ų13164%0.64275%0.746SS**  trans-135.7149.4166.9169.30000106.1
1279D32.8Very low30.9Very low134 Ų134133 Ų13372%0.71776%0.755SS**  trans174.3116.6142.1-84.2-17.1000107.7
1280N30.6Very low31.5Very low113 Ų113132.8 Ų132.860%0.60475%0.751SS**  77.1144.793.3-52.1-21.9000111.7
1281H33.2Very low31.6Very low155 Ų155130.3 Ų130.372%0.71875%0.747SS**  cis-141.116423.4-73.6-106000108.1
1282E32.5Very low31.7Very low156 Ų156132.5 Ų132.573%0.72975%0.751SS**  cis-174.9-171.9-4.8-117.1-169.2-112.200108.7
1283S31.9Very low31.7Very low84 Ų84134 Ų13459%0.58775%0.753SS**  cis-142.2163-1-59.60000109.4
1284E32.7Very low32.3Very low187 Ų187132.1 Ų132.187%0.87474%0.743SS**  trans62.6140.2157.8-47.3-138.1129.800118.2
1285A33.2Very low32.3Very low84 Ų84134.9 Ų134.969%0.69475%0.745SS**  cis-159.6165.210.700000108.5
1286L32.5Very low32.3Very low143 Ų143135.4 Ų135.475%0.74974%0.737SS**  cis-164.7172.8-8.8-113.6172.6000109
1287I34.2Very low32.1Very low147 Ų147133.8 Ų133.875%0.75474%0.737SS**  trans57.1100.2163.7-59.7159.7000115.5
1288A30.3Very low32.1Very low81 Ų81134.5 Ų134.567%0.66974%0.739SS**  70.6140.453.400000114.1
1289T32.5Very low32.2Very low139 Ų139133 Ų13385%0.85375%0.745SS**  cis-160.9173.3-510.80000109.2
1290P42.6Very low32Very low112 Ų112129.7 Ų129.773%0.72774%0.743SS**  trans-111.9-173.2-155.143.4-40000118.3
1291S28.2Very low32Very low115 Ų115131.4 Ų131.480%0.80476%0.761SS**  trans97.7128.8154.379.70000120.1
1292R31.3Very low32Very low236 Ų236127.6 Ų127.689%0.89177%0.765SS**  -178.1164.2114.1-131.4173.2177.6-110.86.1114.2
1293L26.8Very low32.3Very low150 Ų150126.3 Ų126.379%0.78577%0.773SS**  trans-104.4-179.4165.1-71.3169000109
1294P40.2Very low32.3Very low96 Ų96125.1 Ų125.162%0.62377%0.773SS**  cis-139.1-172.6-2529.7-6.4000114.9
1295I28.9Very low32.2Very low142 Ų142128.2 Ų128.273%0.72878%0.777SS**  trans78.3134.9137.4-87.5163.2000122.9
1296Q30.3Very low32.3Very low162 Ų162131.3 Ų131.376%0.75778%0.781SS**  trans71.2112.1152.9-85.6170.7-41.100125.1
1297D27.5Very low32Very low143 Ų143131.7 Ų131.777%0.76578%0.783SS**  65.7161.6119.3-91.8-54.7000124.3
1298V34.7Very low32.5Very low140 Ų140130.2 Ų130.285%0.84878%0.783SS**  trans72.3125.1-176.5-1700000111.9
1299G29.3Very low32.2Very low74 Ų74134.2 Ų134.276%0.76379%0.792SS**  cis102.9130.925.600000109.3
1300G28Very low32.2Very low65 Ų65137.2 Ų137.267%0.6779%0.794SS**  cis176.8-163.1000000108.5
1301C32Very low31.8Very low148 Ų148135.7 Ų135.7100%179%0.791SS**  trans69.3144.4-177.5-42.30000114.3
1302G33.2Very low31.9Very low76 Ų76135 Ų13578%0.78479%0.786SS**  cis-165.4179.8-10.100000106.4
1303S38.1Very low32Very low129 Ų129131.2 Ų131.290%0.90278%0.783SS**  cis-164170-1.552.80000105.5
1304G31.5Very low32.4Very low58 Ų58129.1 Ų129.160%0.59878%0.781SS**  cis153.7126.5-0.500000109.8
1305W30.2Very low32.2Very low253 Ų253129.7 Ų129.796%0.95879%0.787SS**  trans73.1151.4176.2-47.3-1.1000112.3
1306I35.8Very low32.5Very low149 Ų149127.9 Ų127.976%0.76479%0.788SS**  cis-140.7143.537.2-74.1168.2000111.7
1307N26.9Very low32.5Very low150 Ų150127.5 Ų127.580%0.80279%0.79SS**  trans-100.4143.8152.9-99.8-29.9000108
1308P43.6Very low32.6Very low116 Ų116124.8 Ų124.875%0.75378%0.782SS**  -141.1142112.637.3-25.5000114.9
1309L25.6Very low32.4Very low165 Ų165125.2 Ų125.286%0.86478%0.778SS**  trans-77.1139.7165.5-69.6153.8000111
1310K32.3Very low32.3Very low202 Ų202127.8 Ų127.888%0.87878%0.778SS**  trans-156.8101.7148.8-141.1150.4-175.9177.20108.5
1311A32.5Very low32.4Very low81 Ų81131.4 Ų131.467%0.66978%0.783SS**  92.1140.770.100000111.5
1312S31.6Very low32.3Very low99 Ų99131.9 Ų131.969%0.69277%0.768SS**  cis-166.4-176.4-2.7-103.90000111
1313N33.9Very low32.2Very low157 Ų157135.1 Ų135.184%0.8476%0.762SS**  trans86.1138.8166.3-43.8-24000114.8
1314S34.3Very low32Very low107 Ų107134.2 Ų134.275%0.74875%0.751SS**  cis175.8137.7-17.845.40000107.4
1315S36.2Very low32.1Very low107 Ų107137.8 Ų137.875%0.74876%0.757SS**  cis-130.9-139.3-5.9-69.70000107.8
1316S35.3Very low32Very low105 Ų105134.2 Ų134.273%0.73475%0.75SS**  cis-152.5161.44.3-730000106.6
1317L30.5Very low32.3Very low154 Ų154133.2 Ų133.281%0.80675%0.753SS**  cis78.2126.333.7-57.7177.7000115.7
1318S28.5Very low32.5Very low86 Ų86129.8 Ų129.860%0.60175%0.754SS**  cis-178.5163.7-12.947.60000111.8
1319I30.7Very low31.8Very low148 Ų148130 Ų13076%0.75976%0.758SS**  trans71.9131.8160.6-63.1153.3000114.5
1320V27.8Very low31.9Very low128 Ų128129.4 Ų129.478%0.77675%0.754SS**  cis87.67722.9-169.90000116
1321D30.8Very low31.7Very low142 Ų142123.5 Ų123.576%0.75974%0.743SS**  trans177.9166.5153.5-101.8-17.3000108
1322K29.7Very low31.6Very low157 Ų157126.1 Ų126.168%0.68375%0.751SS**  cis-171.1153.3-38.3-145.9178.6178.1175.50107.3
1323H31.2Very low31.7Very low145 Ų145125.8 Ų125.867%0.67175%0.749SS**  trans67133.7161.1-69.6-66.9000122.6
1324T33.8Very low31.7Very low109 Ų109125.3 Ų125.367%0.66975%0.746SS**  trans82.3119.1135.347.40000124
1325N31.7Very low31.6Very low134 Ų134125.7 Ų125.772%0.71775%0.749SS**  trans81.299.6133.1-57.5-7.6000121.4
1326H29.9Very low31.8Very low178 Ų178126.1 Ų126.182%0.82475%0.749SS**  17.9159.1108-67.2-58.3000121
1327P40.7Very low31.8Very low127 Ų127125.9 Ų125.983%0.82575%0.753SS**  cis-136.7179.1-20.636.3-17.3000114.5
1328G31.2Very low31.7Very low79 Ų79127.2 Ų127.281%0.81476%0.757SS**  trans-175.6155169.200000112.6
1329S28.5Very low31.6Very low119 Ų119130.2 Ų130.283%0.83277%0.766SS**  trans-153.5177.6-175.4-169.60000112.4
1330I29Very low31.6Very low154 Ų154129.8 Ų129.879%0.7976%0.764SS**  trans90.587166.2-52.2179.4000117.8
1331A28.3Very low31.6Very low78 Ų78131.6 Ų131.665%0.64576%0.764SS**  78.2160.1117.100000124.1
1332T30.9Very low31.6Very low136 Ų136134.8 Ų134.883%0.83477%0.767SS**  trans67.2146.4173.272.50000115
1333S32.8Very low31.7Very low92 Ų92133.5 Ų133.564%0.64376%0.763SS**  cis169.3158.7-1061.20000103.5
1334N34.5Very low31.6Very low147 Ų147132.6 Ų132.679%0.78677%0.768SS**  cis-135.2-171.47-72.7-71000107.1
1335S32Very low31.6Very low115 Ų115137.6 Ų137.680%0.80478%0.775SS**  cis-156164.218.5-139.90000111.7
1336P40.8Very low31.4Very low115 Ų115142.1 Ų142.175%0.74778%0.782SS**  trans-116.6175.1-159.442.8-34.6000116.2
1337A33.6Very low31.4Very low100 Ų100145 Ų14583%0.82679%0.785SS**  trans-140.9139.7149.900000109
1338M30Very low30.9Very low183 Ų183148.2 Ų148.290%0.90179%0.786SS**  trans-87.2136.9-170.5-71.1-147.5-54.600114.6
1339L25.8Very low31.4Very low148 Ų148149.5 Ų149.578%0.77578%0.78SS**  trans-96.7151.4145-166.892.8000107.8
1340L30.8Very low31.6Very low139 Ų139148.4 Ų148.473%0.72877%0.773SS**  trans-168.7101.5132.4-103.3-176.2000111.7Y1342L1340-Y1342 HydrophobicContact CD2-CD2 3.71Å; L1340-Y1342 HydrophobicContact CD2-CE2 3.73Å
1341H27.2Very low31.6Very low166 Ų166147.5 Ų147.577%0.76977%0.77SS**  trans-81.4155.4146.7-102.66.2000108.6
1342Y30.6Very low31.8Very low209 Ų209150.5 Ų150.582%0.8277%0.77SS**  trans-138.8104.1150.2-111.8-70.7000110.7L1340L1340-Y1342 HydrophobicContact CD2-CD2 3.71Å; L1340-Y1342 HydrophobicContact CD2-CE2 3.73Å
1343E32Very low31.8Very low130 Ų130151.4 Ų151.461%0.60777%0.765SS**  trans-67.9154.4162-93.2-160.485.800110.5R1345E1343-R1345 IonicContact OE1-CZ 3.27Å; E1343-R1345 VanDerWaalsContact OE1-CZ 3.27Å; E1343-R1345 IonicContact OE1-NE 3.02Å; E1343-R1345 PolarHBondContact OE1-NE 3.09Å; E1343-R1345 IonicContact OE1-NH2 3.16Å; E1343-R1345 PolarHBondContact OE1-NH2 3.26Å; E1343-R1345 IonicContact OE2-NH2 2.7Å
1344T30.3Very low31.6Very low126 Ų126155.5 Ų155.577%0.77377%0.774SS**  trans-131.4118.3167.2-61.10000109.8
1345R32.7Very low31.3Very low214 Ų214154.9 Ų154.981%0.80877%0.77SS**  trans-131.7146.7168.9-87.1-172.5-108.7-164.60.7111.6E1343E1343-R1345 IonicContact OE1-CZ 3.27Å; E1343-R1345 VanDerWaalsContact OE1-CZ 3.27Å; E1343-R1345 IonicContact OE1-NE 3.02Å; E1343-R1345 PolarHBondContact OE1-NE 3.09Å; E1343-R1345 IonicContact OE1-NH2 3.16Å; E1343-R1345 PolarHBondContact OE1-NH2 3.26Å; E1343-R1345 IonicContact OE2-NH2 2.7Å
1346R28.7Very low31Very low229 Ų229157 Ų15786%0.86476%0.761SS**  trans-114.5149.7-169.9-57.8178.5178.6-175.3-0.8112.8
1347R29.4Very low30.6Very low239 Ų239159 Ų15990%0.90277%0.766SS**  trans162.7123131.5-86.9152.9179.8170.5-0.6108.7
1348K30.3Very low30.4Very low195 Ų195159 Ų15985%0.84875%0.752SS**  75.9151.371.2-99.2-161.4171.9-1620113.9
1349P42.2Very low30.5Very low105 Ų105156.3 Ų156.368%0.68274%0.74SS**  cis-143-158.4-5.542.5-21.4000116.3
1350S30.9Very low30.9Very low97 Ų97157.4 Ų157.468%0.67874%0.741SS**  trans71.1129.9166.235.40000118.6
1351N30.2Very low30.9Very low135 Ų135156.8 Ų156.872%0.72274%0.738SS**  cis82138.446.9-70.444.7000112
1352E31.8Very low31.3Very low141 Ų141157.2 Ų157.266%0.65974%0.74SS**  cis-164.1178.316.3-135.2164.9-109.900115
1353Q31.5Very low31.5Very low155 Ų155152.5 Ų152.572%0.72473%0.729SS**  trans71.3109.4154.2-69.1167.645.200122.4
1354Q28.4Very low31.6Very low177 Ų177152.7 Ų152.783%0.82774%0.735SS**  14155.6117.6-66.6173.8-10.900119.7
1355L28.1Very low31.8Very low134 Ų134152.1 Ų152.170%0.70274%0.736SS**  cis-163.7161.632.2-161.275.6000113.4
1356Y26Very low31.6Very low159 Ų159147.2 Ų147.262%0.62473%0.734SS**  trans75.6116.1146.5-123.7-101.4000121.9D1358Y1356-D1358 WeakPolarHBondContact CE1-OD2 3.38Å; Y1356-D1358 PolarHBondContact OH-OD2 3.04Å
1357N31.5Very low32.2Very low159 Ų159141.5 Ų141.585%0.8573%0.727SS**  -166.2144.6113.7-98.7-17.7000111.5
1358D29.9Very low32.2Very low100 Ų100134.6 Ų134.654%0.53572%0.715SS.*  trans-95.9179-164.1-65.8-43.9000115.8Y1356Y1356-D1358 WeakPolarHBondContact CE1-OD2 3.38Å; Y1356-D1358 PolarHBondContact OH-OD2 3.04Å
1359I31.5Very low32.5Very low125 Ų125131 Ų13164%0.64171%0.709SS**  trans77104.1153.1-65.2144.5000118
1360H35.4Very low32Very low172 Ų172129.9 Ų129.980%0.79671%0.705SS**  -179.9119.9111.1-87.7-60.9000106.4
1361D30.3Very low32.1Very low126 Ų126131.4 Ų131.467%0.67471%0.705SS**  73.7136.357.8-71.2-45.4000114.4
1362E35.9Very low32.3Very low174 Ų174131.7 Ų131.781%0.81370%0.702SS**  trans67150.5173.8-55.7-151167.900116.9
1363N33.9Very low32.2Very low110 Ų110133.5 Ų133.559%0.58870%0.704SS**  cis-158.6179.2-22.6-106.6-23.1000108.9
1364D33.8Very low32.4Very low135 Ų135133 Ų13372%0.72270%0.701SS**  trans14.7135.6150.8-48-41.9000119.3
1365S35.5Very low32.6Very low113 Ų113132.2 Ų132.279%0.7970%0.697SS**  cis-158.6144.545.3-49.60000114
1366S28.6Very low33Very low112 Ų112131.1 Ų131.178%0.78370%0.698SS**  trans-78-170.7148.9-54.10000108.4
1367P41.3Very low33.3Very low109 Ų109129.2 Ų129.271%0.70870%0.704SS**  cis-144.8171.516.145.6-21.9000114.9
1368S30.2Very low33.2Very low93 Ų93131 Ų13165%0.6571%0.707SS**  66.9143.4103.280.80000117.4
1369T34.8Very low33.2Very low119 Ų119129.6 Ų129.673%0.7372%0.715SS**  cis-166.11377.4-0.30000114
1370S31.6Very low33.1Very low83 Ų83131.7 Ų131.758%0.5873%0.726SS**  trans39.6133.4134.971.20000121
1371N32.8Very low32.8Very low129 Ų129131.2 Ų131.269%0.6973%0.729SS**  -170.116779.3-81.7-47.6000110.5
1372H34.5Very low32.7Very low140 Ų140129.6 Ų129.665%0.64873%0.733SS**  cis-155.3146.8-3-125.622.3000110.9
1373Y30.7Very low32.5Very low180 Ų180127.2 Ų127.271%0.70674%0.735SS**  trans62.7137.9149.5-81.3-58.1000126.9
1374H35.8Very low32.2Very low143 Ų143132.9 Ų132.966%0.66275%0.75SS**  trans58.4129.9150.6-75.7-81.7000120.5
1375Q32.8Very low32.5Very low161 Ų161131.7 Ų131.775%0.75275%0.75SS**  cis-159.4152.9-14.6-134.9177.8-23.300108.8
1376P35.4Very low32.2Very low111 Ų111134.3 Ų134.372%0.72175%0.749SS**  trans-95.7173.3-165.341.1-34.5000112.3
1377T33.1Very low32.2Very low120 Ų120132.7 Ų132.774%0.73674%0.738SS**  -168.9126.579-57.30000112.9
1378Q30.5Very low31.7Very low197 Ų197133.8 Ų133.892%0.92174%0.743SS**  trans-131.2149.8146.4-80.8-162.3200108.9
1379G29.4Very low31.6Very low69 Ų69136 Ų13671%0.71175%0.746SS**  trans86.890.1164.800000116.5
1380I29.7Very low31.5Very low169 Ų169138.1 Ų138.187%0.86775%0.752SS**  trans-121.3122.3143-66.7-178.1000107
1381L28.3Very low31.3Very low162 Ų162138.8 Ų138.885%0.84876%0.757SS**  trans-89.5167.9173.1-119.277.8000110.8
1382A28Very low31.3Very low93 Ų93141.1 Ų141.177%0.76977%0.768SS**  trans72.893.9166.400000118.5
1383S32Very low31.2Very low123 Ų123138.6 Ų138.686%0.8677%0.772SS**  -163.6139.912029.30000112.4
1384Y27.3Very low31.2Very low229 Ų229136.1 Ų136.190%0.89877%0.771SS**  trans-90.3177.1167.9-77.6-94.9000109.4
1385P40Very low31Very low110 Ų110139.9 Ų139.971%0.71478%0.779SS**  cis-139.5-171.37.334.3-10.8000116.9
1386H30.1Very low31Very low168 Ų168138.3 Ų138.378%0.77878%0.776SS**  trans100.3102.1135.9-123.6-100.5000123.4
1387S29Very low30.7Very low79 Ų79138.9 Ų138.955%0.55278%0.782SS**  trans62.1110.7130.5780000125.1
1388T29.4Very low30.6Very low132 Ų132137.8 Ų137.881%0.8179%0.785SS**  71.1145.8120.4-32.40000122.7
1389I29.3Very low30.4Very low140 Ų140133.7 Ų133.772%0.71878%0.779SS**  trans97.6107158.1-50.3-178.7000117.5
1390L32.7Very low30.4Very low162 Ų162137.2 Ų137.285%0.84879%0.786SS**  178108.7125.5-94.2166.8000105.5
1391S27.1Very low30.3Very low97 Ų97134.8 Ų134.868%0.67878%0.779SS**  cis65.797.742.4-161.80000113.9
1392L32.5Very low30.4Very low178 Ų178135.8 Ų135.893%0.93277%0.773SS**  trans-153.2102.5156.4-118.1158.1000109.5
1393A33Very low30.6Very low88 Ų88134.7 Ų134.773%0.72776%0.757SS**  trans-98.4129.8179.600000111.2
1394N29.2Very low30.5Very low127 Ų127133.8 Ų133.868%0.67974%0.739SS**  trans42.9120.7134.2-176.422.2000119.3
1395R32.2Very low30.5Very low223 Ų223127.9 Ų127.984%0.84273%0.731SS**  -162114127.9-106.8148.5-165.7-116.6-2116.2
1396N32.6Very low30.3Very low128 Ų128127.8 Ų127.868%0.68473%0.731SS**  trans64.9131.2130.3-60.19.3000121.9
1397S28.9Very low30.3Very low122 Ų122127 Ų12785%0.85373%0.73SS**  trans-72.3145.3165.5-26.50000113.1
1398A30.7Very low30.2Very low97 Ų97129.4 Ų129.480%0.80274%0.741SS**  173.7119.9115.800000114.6
1399S27.3Very low30Very low112 Ų112127.7 Ų127.778%0.78374%0.735SS**  trans42.8106.8140.2176.50000121.4
1400V28.7Very low30Very low143 Ų143127.6 Ų127.687%0.86773%0.734SS**  trans-137143.7135.1175.30000108.9
1401V28.6Very low30Very low118 Ų118126 Ų12672%0.71573%0.734SS**  trans-100.6141.3175.9171.30000110.3
1402Y29.9Very low30.1Very low182 Ų182126.5 Ų126.571%0.71474%0.737SS**  trans-145.4141.5150.2-126.9-90.1000111.2
1403T32.3Very low29.9Very low71 Ų71128.8 Ų128.844%0.43673%0.734SS.*  trans-85.2155.5172.848.40000109.6I248I248-T1403 HydrophobicContact CD1-CG2 4.42Å
1404Q30.4Very low29.8Very low103 Ų103130.9 Ų130.948%0.48173%0.733SS.*  -164.9144.680.1-147.871.781.800111.6
1405S27.6Very low29.8Very low105 Ų105132.7 Ų132.773%0.73474%0.742SS**  trans-68.9168.5169.6-35.80000112.1
1406P35.5Very low29.8Very low109 Ų109133 Ų13371%0.70874%0.743SS**  -151.11699241.2-25.2000116.4
1407I29.8Very low29.5Very low150 Ų150135.4 Ų135.477%0.76975%0.751SS**  trans60.5117.3155.5-64.9153.9000115.9
1408V26.3Very low29.6Very low130 Ų130135.2 Ų135.279%0.78875%0.749SS**  cis65.679.317.2-165.50000115.4
1409S26.1Very low29.5Very low96 Ų96136 Ų13667%0.67175%0.749SS**  176.6137121.9-80.90000115.5
1410I29.5Very low29.8Very low138 Ų138135.1 Ų135.171%0.70874%0.743SS**  34.5111.1128.3-46.8166.7000117.5S1412I1410-S1412 PolarHBondContact O-N 3.49Å
1411P32.2Very low30Very low130 Ų130135 Ų13584%0.84474%0.737SS**  trans-71.7105.3153.4-1.419000108.4
1412S29.7Very low30.1Very low107 Ų107137.7 Ų137.775%0.74874%0.744SS**  trans-69.1144.2172.6-165.90000110.1I1410I1410-S1412 PolarHBondContact O-N 3.49Å
1413R28.4Very low30.3Very low226 Ų226138.8 Ų138.885%0.85375%0.752SS**  trans-112.5153.2176.1-147.6175.1-169.41723.1108.7
1414N29.7Very low30.2Very low132 Ų132138.8 Ų138.871%0.70677%0.766SS**  trans76.4143.8-159.7-47-18000110.7
1415D29.3Very low30.4Very low165 Ų165137.1 Ų137.188%0.88278%0.777SS**PPolyproline II helixcis-103.5170.318.8-77.7-55.6000117.7
1416R31.8Very low30.8Very low228 Ų228138.9 Ų138.986%0.8678%0.778SS**PPolyproline II helixtrans-90.9165.2176.1-77.2175164.1155-7.2111.3
1417Q27.6Very low30.7Very low180 Ų180140 Ų14084%0.84177%0.774SS**PPolyproline II helixtrans-59.5147.7168.8-54.3123-57.300111.9
1418S30.3Very low30.7Very low118 Ų118141 Ų14183%0.82578%0.781SS**  -163.8151.5126-79.70000111.8
1419S27.7Very low31Very low113 Ų113139.7 Ų139.779%0.7977%0.773SS**  trans-29.6161.1170.259.80000117.9
1420S34.4Very low31.3Very low94 Ų94141.6 Ų141.666%0.65778%0.78SS**  cis-163.6158.234.456.60000114.6
1421D33.1Very low31.4Very low140 Ų140142.7 Ų142.775%0.74978%0.784SS**  trans40.3137133.4-53.9-25.4000121.7
1422M29.9Very low31.4Very low174 Ų174143.4 Ų143.486%0.85778%0.781SS**  cis-171.7168.1-6-122.1-158.3-174.800109.9
1423K34.1Very low31.5Very low205 Ų205141.1 Ų141.189%0.89177%0.774SS**  trans121121.7136-162.6170.9-172.8172.50117.3
1424G31.8Very low31.9Very low71 Ų71140 Ų14073%0.73278%0.775SS**  trans85.9118.8174.300000112.8
1425G33.7Very low31.9Very low69 Ų69138.8 Ų138.871%0.71178%0.777SS**  cis84138.84.800000113.1
1426N36.8Very low32.2Very low141 Ų141138.5 Ų138.575%0.75477%0.774SS**  cis-133.6178.9-2.3-57.27.6000108.1
1427E32.5Very low32Very low133 Ų133135.8 Ų135.862%0.62177%0.771SS**  cis-158.9171.68.1-149.3152.69900111.4T1429E1427-T1429 HydrophobicContact CG-CG2 3.91Å; E1427-T1429 WeakPolarHBondContact CG-OG1 3.33Å; E1427-T1429 VanDerWaalsContact OE1-CG2 3.24Å; E1427-T1429 WeakPolarHBondContact OE1-CG2 3.48Å; E1427-T1429 PolarHBondContact OE1-OG1 2.93Å
1428L29.2Very low32.1Very low172 Ų172132 Ų13290%0.90176%0.764SS**  trans-136.5106.2154.1-176.284.5000107.8
1429T32.5Very low32Very low101 Ų101137.2 Ų137.262%0.6277%0.768SS**  trans-136.4116.7-176.127.10000111.4E1427E1427-T1429 HydrophobicContact CG-CG2 3.91Å; E1427-T1429 WeakPolarHBondContact CG-OG1 3.33Å; E1427-T1429 VanDerWaalsContact OE1-CG2 3.24Å; E1427-T1429 WeakPolarHBondContact OE1-CG2 3.48Å; E1427-T1429 PolarHBondContact OE1-OG1 2.93Å
1430V33.3Very low32.1Very low136 Ų136136.8 Ų136.882%0.82476%0.764SS**  trans-82.3127.7169.6175.20000108.7
1431M32.4Very low32Very low161 Ų161139.4 Ų139.479%0.79377%0.766SS**  trans-100.8145.5153.5-71.2-174.1-65.100107.2
1432D32.2Very low31.9Very low145 Ų145140 Ų14078%0.77576%0.764SS**  cis-159.8164-7.9-104.8-38.7000106.2
1433G31.5Very low31.7Very low59 Ų59136.4 Ų136.461%0.60876%0.756SS**  cis146.7116.70.800000111.8
1434K35.2Very low31.6Very low203 Ų203134.1 Ų134.188%0.88375%0.748SS**  trans175.6124.7156.8-98.8155.8-176.5176.20108.8
1435S31.5Very low31.5Very low106 Ų106139.2 Ų139.274%0.74175%0.747SS**  71125.969.5-158.90000110.8
1436I34.7Very low31.4Very low160 Ų160141.9 Ų141.982%0.82174%0.741SS**  -144.3160.552.2-78.5169.5000112.4
1437E28.2Very low31.1Very low170 Ų170142.7 Ų142.779%0.79474%0.74SS**  trans-76147.3176.4-69.1176.589.600115.7
1438S29.3Very low31.1Very low100 Ų100142 Ų14270%0.69974%0.744SS**  trans36.7112.5133.2-50.70000120.7
1439Y28.7Very low31.1Very low229 Ų229141.6 Ų141.690%0.89874%0.738SS**  trans-142148.9142.9-102.2-78.7000112.3
1440S28.8Very low31.1Very low103 Ų103141.5 Ų141.572%0.7274%0.742SS**  trans-113.2-165.8-173.9-66.50000112.6
1441H32.5Very low31.1Very low150 Ų150139.5 Ų139.569%0.69473%0.734SS**  trans87.3146.4175.7-56.5-86.8000115.8
1442H30.8Very low31.2Very low152 Ų152138.2 Ų138.270%0.70474%0.735SS**  cis-155.2139.7-16.4-111.2-23.3000106.5
1443S26.3Very low31.3Very low98 Ų98136 Ų13669%0.68573%0.731SS**  78.416464.5-51.30000115.5
1444Q31.2Very low31.2Very low158 Ų158141 Ų14174%0.73874%0.743SS**  trans99.8141.1-170.1-60.8-1719.500113.4
1445Y30.4Very low31.1Very low177 Ų177136.3 Ų136.369%0.69474%0.736SS**  cis-170.8166.3-11.3-94-24.6000106.9
1446Q31Very low30.9Very low125 Ų125140.5 Ų140.558%0.58474%0.741SS**  cis-164.5150.2-8.4-114.4175.663.400109.3
1447H30.7Very low31.2Very low159 Ų159137.8 Ų137.874%0.73673%0.733SS**  trans65.9153.4152.7-74.3-134.6000118.1
1448T31.9Very low31Very low117 Ų117136.6 Ų136.672%0.71873%0.732SS**  cis-167.9160.7-5.521.90000107.2
1449E30.7Very low30.9Very low164 Ų164137.7 Ų137.777%0.76673%0.73SS**  cis-177.1173.8-28.3-143.6-66.2-8000106.3
1450S31.6Very low30.9Very low100 Ų100133.6 Ų133.670%0.69972%0.719SS**  trans79.2140.1171.182.10000115.8
1451S34.4Very low31Very low94 Ų94134.3 Ų134.366%0.65771%0.713SS**  cis-153.4150.43.655.20000113.7
1452T34.5Very low30.8Very low133 Ų133134.8 Ų134.882%0.81672%0.716SS**  trans61.3138.2157.151.50000120
1453S34.2Very low30.8Very low99 Ų99132.7 Ų132.769%0.69272%0.718SS**  cis-165.3149-8.650.30000113.3
1454L28.8Very low30.8Very low163 Ų163132.4 Ų132.485%0.85372%0.716SS**  trans14.1148.7143.4-77.872.2000121.1
1455S32.2Very low30.9Very low106 Ų106130.3 Ų130.374%0.74172%0.719SS**  cis-167156.2-0.144.80000115.2
1456K28.7Very low30.8Very low194 Ų194125.2 Ų125.284%0.84372%0.72SS**  trans-52.9-175.7153.8-76.7178175.6176.80113.9
1457P40.7Very low30.8Very low102 Ų102126.1 Ų126.166%0.66273%0.727SS**  cis-140.1-174-5.525.10.8000116.8
1458L24.2Very low30.9Very low145 Ų145125.6 Ų125.676%0.75973%0.727SS**  trans69.9138.4136.7-86.4161.1000122.4
1459N25.6Very low30.8Very low123 Ų123128.5 Ų128.566%0.65874%0.735SS**  trans64.1162.1156.2-76.819.6000115.5
1460E29.2Very low30.8Very low144 Ų144124.4 Ų124.467%0.67374%0.736SS**  cis-157.4173.33.3-132.5159.7-138.200111.2
1461I30.7Very low30.7Very low117 Ų117127.2 Ų127.260%0.674%0.743SS**  trans58.5112.2143.7-77.2160.1000121.1
1462Q29.6Very low30.6Very low160 Ų160126 Ų12675%0.74873%0.732SS**  50.5144125.6-48.6170.86.400122.7
1463S29.5Very low30.5Very low108 Ų108121.6 Ų121.676%0.75571%0.706SS**  trans69.3167136.3-74.50000119
1464S26.5Very low30.4Very low92 Ų92120.6 Ų120.664%0.64370%0.696SS**  cis-171.8146.3-32.958.30000108.4
1465S33.3Very low30.6Very low115 Ų115115.4 Ų115.480%0.80468%0.676SS**  trans65.1153.2177.6-50.10000114.6
1466G29.5Very low30.5Very low69 Ų69118 Ų11871%0.71168%0.675SS**  cis121.2161.4-4.300000113.9
1467I30.7Very low30.5Very low144 Ų144114.6 Ų114.674%0.73867%0.666SS**  trans86.3122.5164.4-53.9178.8000117.5
1468M31.8Very low30.1Very low149 Ų149118.2 Ų118.273%0.73467%0.674SS**  trans72.4110155-73.8170.5-166.800123.2
1469M29.6Very low30.4Very low177 Ų177115.4 Ų115.487%0.87267%0.666SS**  39.7125.2106-60.7-165-89.800119.4
1470G30.8Very low30.7Very low78 Ų78115.6 Ų115.680%0.80467%0.672SS**  trans-179.399.3163.300000114.8
1471L29.3Very low30.5Very low159 Ų159113 Ų11383%0.83267%0.669SS**  trans-61.2143.4164.9-48.4166000108.3
1472T33.7Very low30.5Very low69 Ų69115 Ų11542%0.42368%0.676SS.*  cis-169.8168.845.147.90000110.3S215S215-T1472 WeakPolarHBondContact OG-CG2 3.39Å
1473S32.5Very low30.5Very low41 Ų41114.2 Ų114.229%0.28767%0.672SS.*  trans62.6167.7162.1-117.10000118.4N211 N213N211-S1473 WeakPolarHBondContact ND2-CA 3.33Å; N211-S1473 WeakPolarHBondContact OD1-CA 3.49Å; N211-S1473 PolarHBondContact OD1-OG 2.92Å; N213-S1473 WeakPolarHBondContact CA-OG 3.47Å; N213-S1473 WeakPolarHBondContact OD1-CB 3.38Å
1474T31.9Very low30.6Very low78 Ų78119.2 Ų119.248%0.47967%0.674SS.*  cis-116.6-157.3-2.952.40000109.3N211 N213N211-T1474 PolarHBondContact ND2-O 3.01Å; N213-T1474 WeakPolarHBondContact OD1-CG2 3.04Å
1475A32.5Very low30.9Very low53 Ų53123 Ų12344%0.43869%0.687SS.*  cis-149.2-176.7-2.700000109.4V209V209-A1475 WeakPolarHBondContact CB-O 3.32Å; V209-A1475 WeakPolarHBondContact CG2-O 3.41Å; V209-A1475 VanDerWaalsContact O-O 3.09Å
1476F30.1Very low31.1Very low162 Ų162122.9 Ų122.971%0.71168%0.683SS**  trans-117.5118.9-177.9-163.3-93.2000113.5
1477N29.2Very low31.1Very low121 Ų121124.9 Ų124.965%0.64769%0.686SS**  trans33.8123.2149.7-106.6-44.6000122.3
1478Q33Very low31.1Very low179 Ų179125.7 Ų125.784%0.83669%0.69SS**  -170.5127.7115.1-103177.344.500114.2
1479S29.4Very low31Very low86 Ų86122.8 Ų122.860%0.60169%0.69SS**  trans10.5147.2137.845.30000121.5
1480T31.7Very low31.1Very low126 Ų126124 Ų12477%0.77369%0.693SS**  cis-163.9153.316.9-1.80000114.6
1481C25.2Very low30.9Very low91 Ų91125.1 Ų125.162%0.61570%0.695SS**  trans43130.1149.4-63.80000123.8
1482Q31.9Very low30.8Very low158 Ų158126 Ų12674%0.73870%0.697SS**  173.3126.9111.6-86-120.511.100114.8
1483Q29.8Very low30.6Very low143 Ų143133.4 Ų133.467%0.66872%0.719SS**  trans56.3170.2157.4-45.9-17230.500118.3
1484R30.8Very low30.4Very low214 Ų214135.4 Ų135.481%0.80875%0.746SS**  cis-158.11410.8-151.2175.9-172.3174.53.5109
1485L33.5Very low30.3Very low172 Ų172138.3 Ų138.390%0.90176%0.757SS**  trans-170.8149.6149.6-130.970.2000112
1486P37.1Very low30.1Very low112 Ų112140.8 Ų140.873%0.72777%0.771SS**  trans-114.7136.1-172.838.2-27.2000116.6
1487S28.3Very low30.2Very low111 Ų111142.4 Ų142.478%0.77678%0.781SS**  52.6148.3125.5-1350000124.6
1488I31.7Very low30.1Very low161 Ų161142 Ų14283%0.82678%0.783SS**  trans78.996.1161.2-50.4165.6000117.8
1489A28.7Very low30.1Very low87 Ų87141.1 Ų141.172%0.71978%0.782SS**  -168.7106.4118.400000111.9
1490Q31.7Very low29.9Very low202 Ų202142.7 Ų142.794%0.94479%0.788SS**  trans172.3123.9146.6-98.7164.437.800110
1491A27.5Very low29.9Very low102 Ų102141.4 Ų141.484%0.84378%0.782SS**  trans-153.965.1-18000000112.2
1492M26.1Very low29.9Very low177 Ų177142.7 Ų142.787%0.87279%0.792SS**  trans-15695.6161.3-86.8-157.1-64.600109.8
1493Y30.7Very low30Very low225 Ų225145.4 Ų145.488%0.88280%0.802SS**  trans-179.997.8145.2-107.8-69.2000108.1
1494G28.1Very low29.9Very low83 Ų83140.8 Ų140.886%0.85679%0.793SS**  trans-119.268.7-174.900000112.2
1495I30Very low29.9Very low139 Ų139139.3 Ų139.371%0.71380%0.8SS**  trans-132.1143175.9-45.8178.2000108.3
1496S28.9Very low29.9Very low106 Ų106136.7 Ų136.774%0.74179%0.786SS**  trans66.676177.4-56.40000116.2T1498S1496-T1498 PolarHBondContact O-N 3.45Å
1497Q31.2Very low29.9Very low196 Ų196136.6 Ų136.692%0.91678%0.784SS**  trans-69.7111.2155.9-73.6-166.317.600109.8
1498T26.3Very low31Very low113 Ų113134.9 Ų134.969%0.69377%0.77SS**  trans-78.9117.3170.4-60.20000108.5S1496 T1500S1496-T1498 PolarHBondContact O-N 3.45Å; T1498-T1500 HydrophobicContact CG2-CG2 4.15Å; T1498-T1500 PolarHBondContact O-N 3.31Å
1499I33.2Very low32.4Very low159 Ų159130.7 Ų130.782%0.81575%0.749SS**  trans-74.494.2171.6-58.4177.9000108.3P1501I1499-P1501 VanDerWaalsContact O-CD 3.24Å; I1499-P1501 WeakPolarHBondContact O-CD 3.45Å
1500T25.5Very low34.3Very low119 Ų119131.7 Ų131.773%0.7375%0.748SS**  trans-86.4106.5169.733.20000110T1498 S1502T1498-T1500 HydrophobicContact CG2-CG2 4.15Å; T1498-T1500 PolarHBondContact O-N 3.31Å; T1500-S1502 PolarHBondContact O-N 2.85Å
1501P31.5Very low36.6Very low99 Ų99124.1 Ų124.164%0.64372%0.717SS**  trans-66.6132.216829.3-33.5000108.8I1499 F1503I1499-P1501 VanDerWaalsContact O-CD 3.24Å; I1499-P1501 WeakPolarHBondContact O-CD 3.45Å; P1501-F1503 PolarHBondContact O-N 3.34Å
1502S26.3Very low39.1Very low118 Ų118120.3 Ų120.383%0.82568%0.684SS**  trans-61.9133.3-175.5-165.60000111.5T1500 G1504T1500-S1502 PolarHBondContact O-N 2.85Å; S1502-G1504 PolarHBondContact O-N 3.5Å
1503F32.3Very low41.6Very low215 Ų215122 Ų12294%0.94369%0.686SS**  trans-74.267171.5-80.2-86.2000110.5P1501P1501-F1503 PolarHBondContact O-N 3.34Å
1504G29.2Very low44.1Very low46 Ų46113.4 Ų113.447%0.47467%0.666SS.*  trans-61.2152.6166.800000111S1502 L1506S1502-G1504 PolarHBondContact O-N 3.5Å; G1504-L1506 PolarHBondContact O-N 3.37Å
1505L29.3Very low47.1Very low183 Ų183111.2 Ų111.296%0.95864%0.636SS**  trans-6978.5174.6-72.7164.1000110.1T1507L1505-T1507 PolarHBondContact O-N 3.03Å
1506L34.6Very low50.1Low117 Ų117104.9 Ų104.961%0.61360%0.604SS**  trans-67.4103.2175.5-66.8-178.7000109.5G1504G1504-L1506 PolarHBondContact O-N 3.37Å
1507T37.6Very low53.2Low111 Ų111105.6 Ų105.668%0.68159%0.591SS**  trans-39.413314747.40000108.5L1505 N1509L1505-T1507 PolarHBondContact O-N 3.03Å; T1507-N1509 PolarHBondContact O-N 3.16Å
1508P50.8Low56.2Low75 Ų75103.1 Ų103.149%0.48758%0.578SS.*  trans-55.2112.7-174.3-24.933.5000109.7G1530 P1532P1508-G1530 VanDerWaalsContact CA-O 3.32Å; P1508-G1530 WeakPolarHBondContact CA-O 3.16Å; P1508-G1530 WeakPolarHBondContact CB-O 3.46Å; P1508-P1532 HydrophobicContact CG-CG 4.28Å
1509N60.9Low59.5Low72 Ų7298.4 Ų98.439%0.38555%0.547SS..PPolyproline II helixtrans-52.5132.7-177.2-103.6-4.3000108.1T1507 R1577T1507-N1509 PolarHBondContact O-N 3.16Å; N1509-R1577 PolarHBondContact O-NH2 3.27Å
1510P69.4Low62.5Low108 Ų10893.9 Ų93.970%0.70153%0.527SS*.PPolyproline II helixtrans-58.3135.4-179.124.3-33000107.9
1511P79.5Confident65.9Low43 Ų4389.5 Ų89.528%0.27950%0.501SS..PPolyproline II helixtrans-60148.4179.926.1-33.8000110K1513 W1519 F1527 L1581P1511-K1513 PolarHBondContact O-N 3.37Å; P1511-W1519 HydrophobicContact CB-CH2 3.85Å; P1511-W1519 HydrophobicContact CB-CZ2 4.01Å; P1511-F1527 HydrophobicContact CB-CD2 4.24Å; P1511-L1581 HydrophobicContact CB-CD1 3.57Å; P1511-L1581 HydrophobicContact CB-CD2 4.43Å; P1511-L1581 HydrophobicContact CG-CD1 3.88Å; P1511-L1581 HydrophobicContact CG-CD2 3.84Å
1512P80.3Confident69Low23 Ų2389.9 Ų89.915%0.14950%0.497CS..PPolyproline II helixtrans-49.2138.1174.1-28.836000112.1W1519 D1523P1512-W1519 HydrophobicContact CB-CD2 4.2Å; P1512-W1519 HydrophobicContact CB-CG 4.41Å; P1512-W1519 HydrophobicContact CB-CZ2 4.29Å; P1512-W1519 HydrophobicContact CG-CD2 4.32Å; P1512-W1519 HydrophobicContact CG-CZ2 4.48Å; P1512-W1519 WeakPolarHBondContact O-CZ2 3.3Å; P1512-W1519 PolarHBondContact O-NE1 3.42Å; P1512-D1523 HydrophobicContact CB-CB 3.91Å; P1512-D1523 WeakPolarHBondContact CB-OD1 3.32Å; P1512-D1523 HydrophobicContact CG-CB 3.62Å; P1512-D1523 WeakPolarHBondContact CG-O 3.46Å
1513K77.5Confident72.3Confident212 Ų21286.8 Ų86.892%0.92247%0.471SS*.SBendtrans-73.4137.8-175.2-69.1-172.4177.5-174.20110.9P1511P1511-K1513 PolarHBondContact O-N 3.37Å
1514G84Confident75.4Confident44 Ų4476.5 Ų76.545%0.45443%0.426SS..SBendtrans99169.6179.600000112.9W1519G1514-W1519 PolarHBondContact O-NE1 2.93Å
1515P90Very high78.6Confident37 Ų3774.8 Ų74.824%0.2441%0.406CS..  trans-68.7141.2-168.629.3-36.5000111.5Y1517 K1518P1515-Y1517 HydrophobicContact CB-CD1 3.86Å; P1515-Y1517 HydrophobicContact CB-CE1 3.52Å; P1515-Y1517 HydrophobicContact CG-CD1 4.29Å; P1515-Y1517 HydrophobicContact CG-CE1 3.68Å; P1515-Y1517 PolarHBondContact O-N 3.36Å; P1515-K1518 HydrophobicContact CG-CD 4.06Å; P1515-K1518 HydrophobicContact CG-CG 4.21Å; P1515-K1518 PolarHBondContact O-N 3.47Å
1516I94.1Very high81.7Confident6 Ų668 Ų683%0.03138%0.376CS..G310 helixtrans-54.1-37.2-168.4-57.3159.6000112.4K1518 W1519 G1548 L1551 L1552 L1578 L1581 K1582I1516-K1518 PolarHBondContact O-N 3.39Å; I1516-W1519 HydrophobicContact CB-CD2 4.48Å; I1516-W1519 HydrophobicContact CG1-CH2 4.28Å; I1516-W1519 HydrophobicContact CG1-CZ2 4.04Å; I1516-W1519 HydrophobicContact CG2-CD2 4.19Å; I1516-W1519 HydrophobicContact CG2-CE3 4.1Å; I1516-W1519 HydrophobicContact CG2-CZ3 4.4Å; I1516-W1519 VanDerWaalsContact O-CB 3.29Å; I1516-W1519 WeakPolarHBondContact O-CB 3.45Å; I1516-W1519 PolarHBondContact O-N 2.93Å; I1516-G1548 WeakPolarHBondContact O-CA 3.26Å; I1516-L1551 HydrophobicContact CG2-CD2 4.49Å; I1516-L1552 HydrophobicContact CB-CD1 4.16Å; I1516-L1552 HydrophobicContact CB-CD2 4.01Å; I1516-L1552 HydrophobicContact CB-CG 4.27Å; I1516-L1552 HydrophobicContact CD1-CD2 4.07Å; I1516-L1552 HydrophobicContact CG2-CD1 4.11Å; I1516-L1552 HydrophobicContact CG2-CD2 3.75Å; I1516-L1552 HydrophobicContact CG2-CG 3.78Å; I1516-L1578 HydrophobicContact CD1-CD1 4.02Å; I1516-L1578 HydrophobicContact CG2-CD1 4.18Å; I1516-L1581 HydrophobicContact CD1-CB 3.92Å; I1516-K1582 HydrophobicContact CD1-CG 3.99Å
1517Y94Very high84.6Confident121 Ų12162.4 Ų62.448%0.47535%0.347SS..G310 helixtrans-63.5-13.5-179.170.2-95.8000114.3P1515 E1549P1515-Y1517 HydrophobicContact CB-CD1 3.86Å; P1515-Y1517 HydrophobicContact CB-CE1 3.52Å; P1515-Y1517 HydrophobicContact CG-CD1 4.29Å; P1515-Y1517 HydrophobicContact CG-CE1 3.68Å; P1515-Y1517 PolarHBondContact O-N 3.36Å; Y1517-E1549 WeakPolarHBondContact O-CG 3.44Å
1518K93.7Very high87.4Confident145 Ų14557.1 Ų57.163%0.6332%0.315SS*.G310 helixtrans-96.3-3174.8-61.7-172.7-179.1175.90114P1515 I1516P1515-K1518 HydrophobicContact CG-CD 4.06Å; P1515-K1518 HydrophobicContact CG-CG 4.21Å; P1515-K1518 PolarHBondContact O-N 3.47Å; I1516-K1518 PolarHBondContact O-N 3.39Å
1519W96.1Very high89.6Confident13 Ų1360.4 Ų60.45%0.04932%0.318CS..  trans-68.7135.9-178.1-69.48.4000111.5P1511 P1512 G1514 I1516 D1523 V1524 F1527 G1548 L1581P1511-W1519 HydrophobicContact CB-CH2 3.85Å; P1511-W1519 HydrophobicContact CB-CZ2 4.01Å; P1512-W1519 HydrophobicContact CB-CD2 4.2Å; P1512-W1519 HydrophobicContact CB-CG 4.41Å; P1512-W1519 HydrophobicContact CB-CZ2 4.29Å; P1512-W1519 HydrophobicContact CG-CD2 4.32Å; P1512-W1519 HydrophobicContact CG-CZ2 4.48Å; P1512-W1519 WeakPolarHBondContact O-CZ2 3.3Å; P1512-W1519 PolarHBondContact O-NE1 3.42Å; G1514-W1519 PolarHBondContact O-NE1 2.93Å; I1516-W1519 HydrophobicContact CB-CD2 4.48Å; I1516-W1519 HydrophobicContact CG1-CH2 4.28Å; I1516-W1519 HydrophobicContact CG1-CZ2 4.04Å; I1516-W1519 HydrophobicContact CG2-CD2 4.19Å; I1516-W1519 HydrophobicContact CG2-CE3 4.1Å; I1516-W1519 HydrophobicContact CG2-CZ3 4.4Å; I1516-W1519 VanDerWaalsContact O-CB 3.29Å; I1516-W1519 WeakPolarHBondContact O-CB 3.45Å; I1516-W1519 PolarHBondContact O-N 2.93Å; W1519-D1523 HydrophobicContact CB-CB 3.71Å; W1519-D1523 HydrophobicContact CD2-CB 4.48Å; W1519-D1523 HydrophobicContact CG-CB 4.06Å; W1519-V1524 HydrophobicContact CB-CG2 4.34Å; W1519-V1524 HydrophobicContact CE3-CG2 4.31Å; W1519-F1527 HydrophobicContact CE3-CB 4.48Å; W1519-F1527 HydrophobicContact CH2-CB 4.3Å; W1519-F1527 HydrophobicContact CH2-CD2 4.01Å; W1519-F1527 HydrophobicContact CH2-CG 4.1Å; W1519-F1527 HydrophobicContact CZ3-CB 3.7Å; W1519-F1527 HydrophobicContact CZ3-CD1 4.01Å; W1519-F1527 HydrophobicContact CZ3-CD2 4.05Å; W1519-F1527 AromaticContact CZ3-CG 3.66Å; W1519-F1527 HydrophobicContact CZ3-CG 3.66Å; W1519-G1548 PolarHBondContact O-N 3.33Å; W1519-L1581 HydrophobicContact CH2-CD1 3.9Å
1520T96.2Very high91.2Very high65 Ų6557.1 Ų57.140%0.39930%0.301SS..  trans-73.5169.6171.266.10000111.7D1522 D1523 V1524T1520-D1522 PolarHBondContact O-N 2.88Å; T1520-D1522 PolarHBondContact OG1-N 3.43Å; T1520-D1523 WeakPolarHBondContact CB-OD2 3.49Å; T1520-D1523 WeakPolarHBondContact CG2-OD2 3.43Å; T1520-D1523 PolarHBondContact N-OD2 2.85Å; T1520-D1523 WeakPolarHBondContact O-CB 3.43Å; T1520-D1523 PolarHBondContact O-N 3.3Å; T1520-D1523 VanDerWaalsContact OG1-CG 3.24Å; T1520-D1523 PolarHBondContact OG1-N 3.42Å; T1520-D1523 VanDerWaalsContact OG1-N 3.14Å; T1520-D1523 PolarHBondContact OG1-OD2 3.44Å; T1520-V1524 WeakPolarHBondContact O-CG2 3.35Å; T1520-V1524 PolarHBondContact O-N 2.81Å
1521P96.8Very high92.4Very high27 Ų2752.2 Ų52.218%0.17527%0.269CS..Hα-helixtrans-57.3-35.3169.9-24.635.6000112.7V1524 V1525 D1547P1521-V1524 PolarHBondContact O-N 3.15Å; P1521-V1525 WeakPolarHBondContact O-CB 3.29Å; P1521-V1525 WeakPolarHBondContact O-CG2 3.47Å; P1521-V1525 PolarHBondContact O-N 3.29Å; P1521-D1547 HydrophobicContact CG-CB 4.04Å
1522D96.7Very high93Very high106 Ų10653.8 Ų53.857%0.56728%0.279SS*.Hα-helixtrans-69.1-36.3177.4-67-65.8000112.7T1520 V1525 A1526T1520-D1522 PolarHBondContact O-N 2.88Å; T1520-D1522 PolarHBondContact OG1-N 3.43Å; D1522-V1525 PolarHBondContact O-N 3.3Å; D1522-A1526 WeakPolarHBondContact O-CB 3.16Å; D1522-A1526 PolarHBondContact O-N 2.92Å
1523D96.4Very high93.7Very high53 Ų5355.3 Ų55.328%0.28330%0.299SS..Hα-helixtrans-62.3-45.9171.4-70.1-54.7000111.4P1512 W1519 T1520 V1525 A1526 F1527P1512-D1523 HydrophobicContact CB-CB 3.91Å; P1512-D1523 WeakPolarHBondContact CB-OD1 3.32Å; P1512-D1523 HydrophobicContact CG-CB 3.62Å; P1512-D1523 WeakPolarHBondContact CG-O 3.46Å; W1519-D1523 HydrophobicContact CB-CB 3.71Å; W1519-D1523 HydrophobicContact CD2-CB 4.48Å; W1519-D1523 HydrophobicContact CG-CB 4.06Å; T1520-D1523 WeakPolarHBondContact CB-OD2 3.49Å; T1520-D1523 WeakPolarHBondContact CG2-OD2 3.43Å; T1520-D1523 PolarHBondContact N-OD2 2.85Å; T1520-D1523 WeakPolarHBondContact O-CB 3.43Å; T1520-D1523 PolarHBondContact O-N 3.3Å; T1520-D1523 VanDerWaalsContact OG1-CG 3.24Å; T1520-D1523 PolarHBondContact OG1-N 3.42Å; T1520-D1523 VanDerWaalsContact OG1-N 3.14Å; T1520-D1523 PolarHBondContact OG1-OD2 3.44Å; D1523-V1525 PolarHBondContact O-N 3.07Å; D1523-A1526 PolarHBondContact O-N 2.82Å; D1523-F1527 PolarHBondContact O-N 2.95Å
1524V96.5Very high94.5Very high0 Ų045.2 Ų45.20%026%0.255CS..Hα-helixtrans-61.1-44.1173.9171.30000110.9W1519 T1520 P1521 A1526 F1527 V1528 F1541 I1546 L1551W1519-V1524 HydrophobicContact CB-CG2 4.34Å; W1519-V1524 HydrophobicContact CE3-CG2 4.31Å; T1520-V1524 WeakPolarHBondContact O-CG2 3.35Å; T1520-V1524 PolarHBondContact O-N 2.81Å; P1521-V1524 PolarHBondContact O-N 3.15Å; V1524-A1526 VanDerWaalsContact C-N 3.34Å; V1524-A1526 PolarHBondContact O-N 2.83Å; V1524-F1527 PolarHBondContact O-N 3.03Å; V1524-V1528 HydrophobicContact CG1-CG2 4.31Å; V1524-V1528 VanDerWaalsContact O-CG2 3.27Å; V1524-V1528 WeakPolarHBondContact O-CG2 3.35Å; V1524-V1528 PolarHBondContact O-N 2.88Å; V1524-F1541 HydrophobicContact CG1-CB 4.25Å; V1524-F1541 HydrophobicContact CG1-CD1 3.77Å; V1524-F1541 HydrophobicContact CG1-CG 4.26Å; V1524-I1546 WeakPolarHBondContact CB-O 3.41Å; V1524-I1546 WeakPolarHBondContact CG1-O 3.46Å; V1524-L1551 HydrophobicContact CG1-CD1 4.37Å; V1524-L1551 HydrophobicContact CG1-CD2 4.01Å; V1524-L1551 HydrophobicContact CG2-CB 4.29Å; V1524-L1551 HydrophobicContact CG2-CD2 3.91Å
1525V96.1Very high95Very high9 Ų944.4 Ų44.46%0.05525%0.247CC..Hα-helixtrans-62.6-39.8176.61670000111.5P1521 D1522 D1523 V1528 R1529 A1538 F1541 L1542P1521-V1525 WeakPolarHBondContact O-CB 3.29Å; P1521-V1525 WeakPolarHBondContact O-CG2 3.47Å; P1521-V1525 PolarHBondContact O-N 3.29Å; D1522-V1525 PolarHBondContact O-N 3.3Å; D1523-V1525 PolarHBondContact O-N 3.07Å; V1525-V1528 PolarHBondContact O-N 3.18Å; V1525-R1529 WeakPolarHBondContact O-CB 3.22Å; V1525-R1529 VanDerWaalsContact O-CG 3.25Å; V1525-R1529 WeakPolarHBondContact O-CG 3.35Å; V1525-R1529 PolarHBondContact O-N 2.78Å; V1525-A1538 HydrophobicContact CG1-CB 4.22Å; V1525-F1541 HydrophobicContact CG2-CB 4.26Å; V1525-L1542 HydrophobicContact CG2-CB 3.71Å; V1525-L1542 HydrophobicContact CG2-CD1 4.19Å; V1525-L1542 HydrophobicContact CG2-CG 4.48Å
1526A95.2Very high95.3Very high40 Ų4046.8 Ų46.833%0.33127%0.27SS..Hα-helixtrans-64.4-42.6174.400000111.8D1522 D1523 V1524 R1529 G1530D1522-A1526 WeakPolarHBondContact O-CB 3.16Å; D1522-A1526 PolarHBondContact O-N 2.92Å; D1523-A1526 PolarHBondContact O-N 2.82Å; V1524-A1526 VanDerWaalsContact C-N 3.34Å; V1524-A1526 PolarHBondContact O-N 2.83Å; A1526-R1529 PolarHBondContact O-N 2.9Å; A1526-G1530 PolarHBondContact O-N 2.95Å
1527F95.8Very high95.4Very high1 Ų148.6 Ų48.60%0.00428%0.276CS..Hα-helixtrans-63.3-44.6174.5172-108000112.8P1511 W1519 D1523 V1524 G1530 T1531 L1551 L1574 R1577 L1578 L1581P1511-F1527 HydrophobicContact CB-CD2 4.24Å; W1519-F1527 HydrophobicContact CE3-CB 4.48Å; W1519-F1527 HydrophobicContact CH2-CB 4.3Å; W1519-F1527 HydrophobicContact CH2-CD2 4.01Å; W1519-F1527 HydrophobicContact CH2-CG 4.1Å; W1519-F1527 HydrophobicContact CZ3-CB 3.7Å; W1519-F1527 HydrophobicContact CZ3-CD1 4.01Å; W1519-F1527 HydrophobicContact CZ3-CD2 4.05Å; W1519-F1527 AromaticContact CZ3-CG 3.66Å; W1519-F1527 HydrophobicContact CZ3-CG 3.66Å; D1523-F1527 PolarHBondContact O-N 2.95Å; V1524-F1527 PolarHBondContact O-N 3.03Å; F1527-G1530 PolarHBondContact O-N 2.91Å; F1527-T1531 PolarHBondContact O-N 2.91Å; F1527-T1531 PolarHBondContact O-OG1 3.24Å; F1527-L1551 HydrophobicContact CD1-CD2 4.38Å; F1527-L1574 HydrophobicContact CD1-CD1 4.03Å; F1527-L1574 HydrophobicContact CE1-CD1 3.57Å; F1527-L1574 HydrophobicContact CE1-CG 4.35Å; F1527-L1574 HydrophobicContact CZ-CD1 4.3Å; F1527-R1577 HydrophobicContact CE2-CB 4.39Å; F1527-R1577 VanDerWaalsContact CE2-CD 3.5Å; F1527-R1577 HydrophobicContact CE2-CG 3.76Å; F1527-R1577 HydrophobicContact CZ-CB 3.98Å; F1527-R1577 HydrophobicContact CZ-CG 3.87Å; F1527-L1578 HydrophobicContact CE1-CB 4.49Å; F1527-L1578 HydrophobicContact CE1-CD1 4.44Å; F1527-L1578 HydrophobicContact CZ-CB 4.46Å; F1527-L1581 HydrophobicContact CD2-CD1 4.06Å; F1527-L1581 HydrophobicContact CE2-CD1 3.45Å; F1527-L1581 VanDerWaalsContact CE2-CD1 3.45Å; F1527-L1581 HydrophobicContact CZ-CD1 4.14Å
1528V96.2Very high95.5Very high0 Ų042.8 Ų42.80%025%0.254CS..Hα-helixtrans-65.9-42.5177.1176.50000111V1524 V1525 T1531 C1534 G1535 A1538 F1541 L1574V1524-V1528 HydrophobicContact CG1-CG2 4.31Å; V1524-V1528 VanDerWaalsContact O-CG2 3.27Å; V1524-V1528 WeakPolarHBondContact O-CG2 3.35Å; V1524-V1528 PolarHBondContact O-N 2.88Å; V1525-V1528 PolarHBondContact O-N 3.18Å; V1528-T1531 PolarHBondContact O-N 3.24Å; V1528-C1534 HydrophobicContact CG1-CB 4.19Å; V1528-C1534 WeakPolarHBondContact CG1-O 3.41Å; V1528-C1534 CarbonylContact O-C 3Å; V1528-G1535 PolarHBondContact O-N 3.48Å; V1528-A1538 HydrophobicContact CB-CB 4.11Å; V1528-A1538 HydrophobicContact CG1-CB 3.81Å; V1528-F1541 HydrophobicContact CB-CD2 4.36Å; V1528-F1541 HydrophobicContact CG1-CD2 3.95Å; V1528-F1541 HydrophobicContact CG1-CE2 3.93Å; V1528-F1541 HydrophobicContact CG2-CD1 4.2Å; V1528-F1541 HydrophobicContact CG2-CD2 3.8Å; V1528-F1541 HydrophobicContact CG2-CE1 4.24Å; V1528-F1541 HydrophobicContact CG2-CE2 3.84Å; V1528-F1541 HydrophobicContact CG2-CG 4Å; V1528-F1541 HydrophobicContact CG2-CZ 4.06Å; V1528-L1574 HydrophobicContact CB-CD1 4.49Å; V1528-L1574 HydrophobicContact CG2-CD1 3.93Å; V1528-L1574 HydrophobicContact CG2-CD2 3.98Å
1529R95.8Very high95.6Very high143 Ų14339 Ų3954%0.5425%0.245SC..Hα-helixtrans-60.6-42.5172.5-75.9176-175.9-104.14.2112.2V1525 A1526 T1531 A1538V1525-R1529 WeakPolarHBondContact O-CB 3.22Å; V1525-R1529 VanDerWaalsContact O-CG 3.25Å; V1525-R1529 WeakPolarHBondContact O-CG 3.35Å; V1525-R1529 PolarHBondContact O-N 2.78Å; A1526-R1529 PolarHBondContact O-N 2.9Å; R1529-T1531 PolarHBondContact O-N 2.93Å; R1529-A1538 HydrophobicContact CG-CB 3.56Å
1530G94.4Very high95.6Very high4 Ų439.1 Ų39.14%0.04125%0.249CC..THydrogen-bonded Turntrans-71.4-3.2177.500000114.8P1508 A1526 F1527 R1577P1508-G1530 VanDerWaalsContact CA-O 3.32Å; P1508-G1530 WeakPolarHBondContact CA-O 3.16Å; P1508-G1530 WeakPolarHBondContact CB-O 3.46Å; A1526-G1530 PolarHBondContact O-N 2.95Å; F1527-G1530 PolarHBondContact O-N 2.91Å; G1530-R1577 PolarHBondContact O-NH1 2.79Å
1531T95Very high95.6Very high4 Ų436 Ų363%0.02523%0.23CC..SBendtrans-99.8120.9-175.9-61.50000111.2F1527 V1528 R1529 G1533 C1534 L1574 R1577F1527-T1531 PolarHBondContact O-N 2.91Å; F1527-T1531 PolarHBondContact O-OG1 3.24Å; V1528-T1531 PolarHBondContact O-N 3.24Å; R1529-T1531 PolarHBondContact O-N 2.93Å; T1531-G1533 PolarHBondContact O-N 2.72Å; T1531-C1534 HydrophobicContact CG2-CB 4.12Å; T1531-C1534 PolarHBondContact O-N 3.35Å; T1531-L1574 HydrophobicContact CG2-CD1 4.13Å; T1531-R1577 WeakPolarHBondContact OG1-CD 3.42Å; T1531-R1577 PolarHBondContact OG1-NH1 2.8Å
1532P93.2Very high95.5Very high77 Ų7738.2 Ų38.250%0.524%0.24SC..THydrogen-bonded Turntrans-58.4100.8-169.2-30.437.3000116.4P1508 K1573P1508-P1532 HydrophobicContact CG-CG 4.28Å; P1532-K1573 WeakPolarHBondContact O-CD 3.36Å; P1532-K1573 PolarHBondContact O-NZ 3.27Å
1533G93.2Very high95.5Very high54 Ų5439.2 Ų39.256%0.55725%0.246SC*.THydrogen-bonded Turntrans100.31.1-179.200000114.9T1531T1531-G1533 PolarHBondContact O-N 2.72Å
1534C95.7Very high95.4Very high0 Ų038.8 Ų38.80%024%0.243CC..THydrogen-bonded Turntrans-101.8-17.8-178.4-54.80000113.4V1528 T1531 A1536 Y1537 M1566 P1570V1528-C1534 HydrophobicContact CG1-CB 4.19Å; V1528-C1534 WeakPolarHBondContact CG1-O 3.41Å; V1528-C1534 CarbonylContact O-C 3Å; T1531-C1534 HydrophobicContact CG2-CB 4.12Å; T1531-C1534 PolarHBondContact O-N 3.35Å; C1534-A1536 PolarHBondContact O-N 3.47Å; C1534-Y1537 WeakPolarHBondContact O-CD2 3.48Å; C1534-Y1537 PolarHBondContact O-N 2.93Å; C1534-M1566 HydrophobicContact CB-CE 4.26Å; C1534-P1570 PolarHBondContact SG-O 3.2Å
1535G94.9Very high95.4Very high28 Ų2843.8 Ų43.829%0.28927%0.267SS..G310 helixtrans-58.9-23-174.700000116.4V1528 Y1537 A1538V1528-G1535 PolarHBondContact O-N 3.48Å; G1535-Y1537 PolarHBondContact O-N 3.14Å; G1535-A1538 WeakPolarHBondContact O-CB 3.39Å; G1535-A1538 PolarHBondContact O-N 2.87Å
1536A95.2Very high95.4Very high86 Ų8644 Ų4471%0.71127%0.267SS*.G310 helixtrans-64.7-23.2172.800000113.5C1534C1534-A1536 PolarHBondContact O-N 3.47Å
1537Y96.1Very high95.4Very high44 Ų4443.8 Ų43.817%0.17326%0.26CS..G310 helixtrans-93.7-6.5177.8-54.8-81000112.7C1534 G1535 S1539 A1540 F1541 M1566 K1567 P1570C1534-Y1537 WeakPolarHBondContact O-CD2 3.48Å; C1534-Y1537 PolarHBondContact O-N 2.93Å; G1535-Y1537 PolarHBondContact O-N 3.14Å; Y1537-S1539 PolarHBondContact O-N 2.83Å; Y1537-A1540 WeakPolarHBondContact O-CA 3.37Å; Y1537-A1540 VanDerWaalsContact O-CB 3.28Å; Y1537-A1540 WeakPolarHBondContact O-CB 3.49Å; Y1537-A1540 PolarHBondContact O-N 3.49Å; Y1537-F1541 WeakPolarHBondContact O-CD2 3.46Å; Y1537-F1541 PolarHBondContact O-N 3.22Å; Y1537-M1566 HydrophobicContact CD1-CB 4.29Å; Y1537-M1566 HydrophobicContact CD1-CG 3.82Å; Y1537-M1566 HydrophobicContact CD2-CE 3.77Å; Y1537-M1566 HydrophobicContact CD2-CG 4.25Å; Y1537-M1566 HydrophobicContact CE1-CB 4.29Å; Y1537-M1566 HydrophobicContact CE1-CG 4.32Å; Y1537-M1566 HydrophobicContact CE2-CE 4.39Å; Y1537-M1566 HydrophobicContact CG-CB 4.5Å; Y1537-M1566 HydrophobicContact CG-CE 4.09Å; Y1537-M1566 HydrophobicContact CG-CG 3.78Å; Y1537-K1567 PolarHBondContact OH-N 3.04Å; Y1537-P1570 HydrophobicContact CD2-CB 4.19Å; Y1537-P1570 HydrophobicContact CE2-CB 3.62Å; Y1537-P1570 HydrophobicContact CE2-CG 3.85Å
1538A96Very high95.4Very high0 Ų043.7 Ų43.70%026%0.26CS..Hα-helixtrans-61.1-30.8-174.200000113.1V1525 V1528 R1529 G1535 A1540 F1541 L1542V1525-A1538 HydrophobicContact CG1-CB 4.22Å; V1528-A1538 HydrophobicContact CB-CB 4.11Å; V1528-A1538 HydrophobicContact CG1-CB 3.81Å; R1529-A1538 HydrophobicContact CG-CB 3.56Å; G1535-A1538 WeakPolarHBondContact O-CB 3.39Å; G1535-A1538 PolarHBondContact O-N 2.87Å; A1538-A1540 VanDerWaalsContact C-N 3.28Å; A1538-A1540 PolarHBondContact O-N 3.43Å; A1538-F1541 PolarHBondContact O-N 3.32Å; A1538-L1542 PolarHBondContact O-N 3.01Å; A1538-L1542 VanDerWaalsContact O-N 3.15Å
1539S95.4Very high95.4Very high64 Ų6449.5 Ų49.545%0.44829%0.287SS..Hα-helixtrans-63.1-31.2170.647.30000113.1Y1537 L1542 N1543Y1537-S1539 PolarHBondContact O-N 2.83Å; S1539-L1542 PolarHBondContact O-N 3.48Å; S1539-N1543 VanDerWaalsContact O-CB 3.23Å; S1539-N1543 WeakPolarHBondContact O-CB 3.13Å; S1539-N1543 PolarHBondContact O-N 3.13Å; S1539-N1543 PolarHBondContact O-OD1 3.05Å
1540A96Very high95.4Very high17 Ų1744.5 Ų44.514%0.1428%0.276CS..Hα-helixtrans-70.4-32.117500000112.2Y1537 A1538 N1544 I1564Y1537-A1540 WeakPolarHBondContact O-CA 3.37Å; Y1537-A1540 VanDerWaalsContact O-CB 3.28Å; Y1537-A1540 WeakPolarHBondContact O-CB 3.49Å; Y1537-A1540 PolarHBondContact O-N 3.49Å; A1538-A1540 VanDerWaalsContact C-N 3.28Å; A1538-A1540 PolarHBondContact O-N 3.43Å; A1540-N1544 WeakPolarHBondContact O-CB 3.44Å; A1540-N1544 PolarHBondContact O-N 3.48Å; A1540-N1544 PolarHBondContact O-ND2 3.47Å; A1540-I1564 HydrophobicContact CB-CG2 4.16Å
1541F96.5Very high95.4Very high0 Ų044.3 Ų44.30%027%0.274CS..Hα-helixtrans-67.8-44.6171.8-71-96000111.4V1524 V1525 V1528 Y1537 A1538 N1544 E1545 I1546 L1551 L1554 F1559 I1564 M1566 L1574V1524-F1541 HydrophobicContact CG1-CB 4.25Å; V1524-F1541 HydrophobicContact CG1-CD1 3.77Å; V1524-F1541 HydrophobicContact CG1-CG 4.26Å; V1525-F1541 HydrophobicContact CG2-CB 4.26Å; V1528-F1541 HydrophobicContact CB-CD2 4.36Å; V1528-F1541 HydrophobicContact CG1-CD2 3.95Å; V1528-F1541 HydrophobicContact CG1-CE2 3.93Å; V1528-F1541 HydrophobicContact CG2-CD1 4.2Å; V1528-F1541 HydrophobicContact CG2-CD2 3.8Å; V1528-F1541 HydrophobicContact CG2-CE1 4.24Å; V1528-F1541 HydrophobicContact CG2-CE2 3.84Å; V1528-F1541 HydrophobicContact CG2-CG 4Å; V1528-F1541 HydrophobicContact CG2-CZ 4.06Å; Y1537-F1541 WeakPolarHBondContact O-CD2 3.46Å; Y1537-F1541 PolarHBondContact O-N 3.22Å; A1538-F1541 PolarHBondContact O-N 3.32Å; F1541-N1544 PolarHBondContact O-N 3.32Å; F1541-E1545 PolarHBondContact O-N 3.16Å; F1541-I1546 HydrophobicContact CB-CB 4.43Å; F1541-I1546 HydrophobicContact CD1-CB 4.04Å; F1541-I1546 HydrophobicContact CD1-CD1 3.86Å; F1541-I1546 HydrophobicContact CD1-CG1 4.47Å; F1541-I1546 HydrophobicContact CD1-CG2 4Å; F1541-I1546 HydrophobicContact CE1-CD1 4.36Å; F1541-I1546 HydrophobicContact CG-CD1 4.42Å; F1541-I1546 PolarHBondContact O-N 2.93Å; F1541-L1551 HydrophobicContact CD1-CD1 4.49Å; F1541-L1551 HydrophobicContact CE1-CD1 3.91Å; F1541-L1554 HydrophobicContact CE1-CD1 4.26Å; F1541-F1559 HydrophobicContact CE1-CD1 4.27Å; F1541-F1559 AromaticContact CE1-CE1 3.89Å; F1541-F1559 HydrophobicContact CE1-CE1 3.89Å; F1541-F1559 AromaticContact CZ-CD1 3.82Å; F1541-F1559 HydrophobicContact CZ-CD1 3.82Å; F1541-F1559 AromaticContact CZ-CE1 3.82Å; F1541-F1559 HydrophobicContact CZ-CE1 3.82Å; F1541-I1564 HydrophobicContact CD2-CG2 4.26Å; F1541-I1564 HydrophobicContact CE1-CD1 4.19Å; F1541-I1564 HydrophobicContact CE2-CG2 3.7Å; F1541-I1564 HydrophobicContact CZ-CD1 4.29Å; F1541-I1564 HydrophobicContact CZ-CG2 3.92Å; F1541-M1566 HydrophobicContact CE2-SD 3.97Å; F1541-M1566 HydrophobicContact CZ-SD 3.97Å; F1541-L1574 HydrophobicContact CE1-CD2 4.18Å; F1541-L1574 HydrophobicContact CE2-CD2 4.07Å; F1541-L1574 HydrophobicContact CZ-CD2 3.44Å; F1541-L1574 VanDerWaalsContact CZ-CD2 3.44Å
1542L96.2Very high95.4Very high72 Ų7246.4 Ų46.438%0.37729%0.285SS..Hα-helixtrans-61.5-49.3176-17062.9000111.9V1525 A1538 S1539 N1544 E1545V1525-L1542 HydrophobicContact CG2-CB 3.71Å; V1525-L1542 HydrophobicContact CG2-CD1 4.19Å; V1525-L1542 HydrophobicContact CG2-CG 4.48Å; A1538-L1542 PolarHBondContact O-N 3.01Å; A1538-L1542 VanDerWaalsContact O-N 3.15Å; S1539-L1542 PolarHBondContact O-N 3.48Å; L1542-N1544 PolarHBondContact O-N 3.37Å; L1542-E1545 PolarHBondContact O-N 2.71Å
1543N96Very high95.4Very high128 Ų12849.6 Ų49.668%0.68430%0.297SS*.Hα-helixtrans-66.7-17.5-176.9-69.20.7000113.9S1539S1539-N1543 VanDerWaalsContact O-CB 3.23Å; S1539-N1543 WeakPolarHBondContact O-CB 3.13Å; S1539-N1543 PolarHBondContact O-N 3.13Å; S1539-N1543 PolarHBondContact O-OD1 3.05Å
1544N94.5Very high95.4Very high43 Ų4348.8 Ų48.823%0.2328%0.28CS..THydrogen-bonded Turntrans-10612.1174-69.3-79.5000112.4A1540 F1541 L1542 I1546 P1563A1540-N1544 WeakPolarHBondContact O-CB 3.44Å; A1540-N1544 PolarHBondContact O-N 3.48Å; A1540-N1544 PolarHBondContact O-ND2 3.47Å; F1541-N1544 PolarHBondContact O-N 3.32Å; L1542-N1544 PolarHBondContact O-N 3.37Å; N1544-I1546 HydrophobicContact CB-CD1 3.92Å; N1544-I1546 HydrophobicContact CB-CG1 3.72Å; N1544-I1546 PolarHBondContact O-N 2.85Å; N1544-I1546 VanDerWaalsContact O-N 3.16Å; N1544-P1563 VanDerWaalsContact OD1-CB 3.23Å; N1544-P1563 WeakPolarHBondContact OD1-CB 3.22Å; N1544-P1563 VanDerWaalsContact OD1-CG 3.24Å; N1544-P1563 WeakPolarHBondContact OD1-CG 3.49Å
1545E95.8Very high95.1Very high106 Ų10650.9 Ų50.950%0.49530%0.297SS..THydrogen-bonded Turntrans52.431.9179.7-61-178.1-156.700114.6F1541 L1542 D1547F1541-E1545 PolarHBondContact O-N 3.16Å; L1542-E1545 PolarHBondContact O-N 2.71Å; E1545-D1547 PolarHBondContact O-N 3.4Å
1546I96.2Very high94.7Very high12 Ų1253.7 Ų53.76%0.06230%0.303CS..  trans-73.299.2-172.3-51.6-176000110V1524 F1541 N1544 A1550 L1551 L1554 I1564V1524-I1546 WeakPolarHBondContact CB-O 3.41Å; V1524-I1546 WeakPolarHBondContact CG1-O 3.46Å; F1541-I1546 HydrophobicContact CB-CB 4.43Å; F1541-I1546 HydrophobicContact CD1-CB 4.04Å; F1541-I1546 HydrophobicContact CD1-CD1 3.86Å; F1541-I1546 HydrophobicContact CD1-CG1 4.47Å; F1541-I1546 HydrophobicContact CD1-CG2 4Å; F1541-I1546 HydrophobicContact CE1-CD1 4.36Å; F1541-I1546 HydrophobicContact CG-CD1 4.42Å; F1541-I1546 PolarHBondContact O-N 2.93Å; N1544-I1546 HydrophobicContact CB-CD1 3.92Å; N1544-I1546 HydrophobicContact CB-CG1 3.72Å; N1544-I1546 PolarHBondContact O-N 2.85Å; N1544-I1546 VanDerWaalsContact O-N 3.16Å; I1546-A1550 HydrophobicContact CG2-CB 3.85Å; I1546-L1551 HydrophobicContact CG2-CB 4.31Å; I1546-L1554 HydrophobicContact CD1-CD1 4.27Å; I1546-L1554 HydrophobicContact CG2-CD1 4.08Å; I1546-I1564 HydrophobicContact CD1-CD1 3.57Å; I1546-I1564 HydrophobicContact CD1-CG1 4.03Å
1547D96.2Very high94.4Very high36 Ų3653.6 Ų53.619%0.19329%0.29CS..  trans-85.3-177.1171.953.142.4000112.5K1218 P1521 E1545 E1549 A1550 L1551K1218-D1547 WeakPolarHBondContact CE-OD2 3.43Å; K1218-D1547 IonicContact NZ-OD2 2.71Å; K1218-D1547 PolarHBondContact NZ-OD2 3.36Å; P1521-D1547 HydrophobicContact CG-CB 4.04Å; E1545-D1547 PolarHBondContact O-N 3.4Å; D1547-E1549 PolarHBondContact O-N 2.91Å; D1547-A1550 PolarHBondContact O-N 2.67Å; D1547-A1550 WeakPolarHBondContact OD1-CB 3.33Å; D1547-A1550 PolarHBondContact OD1-N 3.47Å; D1547-A1550 VanDerWaalsContact OD1-N 3.13Å; D1547-L1551 WeakPolarHBondContact O-CB 3.1Å; D1547-L1551 PolarHBondContact O-N 3.09Å
1548G95.9Very high94.1Very high0 Ų055.7 Ų55.70%030%0.302CS..Hα-helixtrans-60-40.9-176.500000114.7I1516 W1519 L1551 L1552I1516-G1548 WeakPolarHBondContact O-CA 3.26Å; W1519-G1548 PolarHBondContact O-N 3.33Å; G1548-L1551 PolarHBondContact O-N 2.84Å; G1548-L1552 VanDerWaalsContact O-CG 3.22Å; G1548-L1552 WeakPolarHBondContact O-CG 3.49Å; G1548-L1552 PolarHBondContact O-N 2.87Å; G1548-L1552 VanDerWaalsContact O-N 3.14Å
1549E94.7Very high94Very high121 Ų12155.8 Ų55.857%0.56530%0.302SS*.Hα-helixtrans-66.3-45.6175.9-61.5-163.6155.200110.7Y1517 D1547 L1551 L1552 L1553Y1517-E1549 WeakPolarHBondContact O-CG 3.44Å; D1547-E1549 PolarHBondContact O-N 2.91Å; E1549-L1551 PolarHBondContact O-N 3.03Å; E1549-L1552 PolarHBondContact O-N 2.62Å; E1549-L1553 WeakPolarHBondContact O-CG 3.39Å; E1549-L1553 PolarHBondContact O-N 2.86Å
1550A95.5Very high93.9Very high38 Ų3855.7 Ų55.731%0.31430%0.296SS..Hα-helixtrans-61.1-43.5175.800000112.2I1546 D1547 L1552 L1553 L1554I1546-A1550 HydrophobicContact CG2-CB 3.85Å; D1547-A1550 PolarHBondContact O-N 2.67Å; D1547-A1550 WeakPolarHBondContact OD1-CB 3.33Å; D1547-A1550 PolarHBondContact OD1-N 3.47Å; D1547-A1550 VanDerWaalsContact OD1-N 3.13Å; A1550-L1552 VanDerWaalsContact C-N 3.32Å; A1550-L1552 PolarHBondContact O-N 3.02Å; A1550-L1553 PolarHBondContact O-N 2.85Å; A1550-L1553 VanDerWaalsContact O-N 3.15Å; A1550-L1554 PolarHBondContact O-N 3Å; A1550-L1554 VanDerWaalsContact O-N 3.16Å
1551L95.9Very high93.7Very high0 Ų059.6 Ų59.60%031%0.311CS..Hα-helixtrans-61.3-37.4179-178.766.5000112.6I1516 V1524 F1527 F1541 I1546 D1547 G1548 E1549 L1553 L1554 F1559 L1578I1516-L1551 HydrophobicContact CG2-CD2 4.49Å; V1524-L1551 HydrophobicContact CG1-CD1 4.37Å; V1524-L1551 HydrophobicContact CG1-CD2 4.01Å; V1524-L1551 HydrophobicContact CG2-CB 4.29Å; V1524-L1551 HydrophobicContact CG2-CD2 3.91Å; F1527-L1551 HydrophobicContact CD1-CD2 4.38Å; F1541-L1551 HydrophobicContact CD1-CD1 4.49Å; F1541-L1551 HydrophobicContact CE1-CD1 3.91Å; I1546-L1551 HydrophobicContact CG2-CB 4.31Å; D1547-L1551 WeakPolarHBondContact O-CB 3.1Å; D1547-L1551 PolarHBondContact O-N 3.09Å; G1548-L1551 PolarHBondContact O-N 2.84Å; E1549-L1551 PolarHBondContact O-N 3.03Å; L1551-L1553 VanDerWaalsContact C-N 3.29Å; L1551-L1553 PolarHBondContact O-N 3.31Å; L1551-L1554 HydrophobicContact CD1-CD1 4.35Å; L1551-F1559 HydrophobicContact CD1-CE1 4.03Å; L1551-F1559 HydrophobicContact CD1-CZ 4.11Å; L1551-L1578 HydrophobicContact CD1-CD2 4.25Å; L1551-L1578 HydrophobicContact CD2-CD1 3.78Å; L1551-L1578 HydrophobicContact CG-CD1 4.07Å; L1551-L1578 HydrophobicContact CG-CD2 3.94Å
1552L94Very high93.3Very high49 Ų4965.1 Ų65.126%0.25735%0.347SS..Hα-helixtrans-69.8-26.8177.9-70.4169.1000113.1I1516 G1548 E1549 A1550 K1582I1516-L1552 HydrophobicContact CB-CD1 4.16Å; I1516-L1552 HydrophobicContact CB-CD2 4.01Å; I1516-L1552 HydrophobicContact CB-CG 4.27Å; I1516-L1552 HydrophobicContact CD1-CD2 4.07Å; I1516-L1552 HydrophobicContact CG2-CD1 4.11Å; I1516-L1552 HydrophobicContact CG2-CD2 3.75Å; I1516-L1552 HydrophobicContact CG2-CG 3.78Å; G1548-L1552 VanDerWaalsContact O-CG 3.22Å; G1548-L1552 WeakPolarHBondContact O-CG 3.49Å; G1548-L1552 PolarHBondContact O-N 2.87Å; G1548-L1552 VanDerWaalsContact O-N 3.14Å; E1549-L1552 PolarHBondContact O-N 2.62Å; A1550-L1552 VanDerWaalsContact C-N 3.32Å; A1550-L1552 PolarHBondContact O-N 3.02Å; L1552-K1582 HydrophobicContact CD2-CD 4.2Å; L1552-K1582 HydrophobicContact CD2-CG 3.88Å; L1552-K1582 PolarHBondContact O-NZ 2.86Å
1553L94.2Very high92.9Very high143 Ų14364.7 Ų64.775%0.74935%0.349SS*.Hα-helixtrans-90-13.6-178.9-68.5171000114.3E1549 A1550 L1551 A1555E1549-L1553 WeakPolarHBondContact O-CG 3.39Å; E1549-L1553 PolarHBondContact O-N 2.86Å; A1550-L1553 PolarHBondContact O-N 2.85Å; A1550-L1553 VanDerWaalsContact O-N 3.15Å; L1551-L1553 VanDerWaalsContact C-N 3.29Å; L1551-L1553 PolarHBondContact O-N 3.31Å; L1553-A1555 PolarHBondContact O-N 3.05Å
1554L93Very high92.8Very high37 Ų3759.1 Ų59.119%0.19432%0.319CS..  trans-67.3122.7176.8-75.7171.3000111.5F1541 I1546 A1550 L1551 Q1558 F1559 I1564F1541-L1554 HydrophobicContact CE1-CD1 4.26Å; I1546-L1554 HydrophobicContact CD1-CD1 4.27Å; I1546-L1554 HydrophobicContact CG2-CD1 4.08Å; A1550-L1554 PolarHBondContact O-N 3Å; A1550-L1554 VanDerWaalsContact O-N 3.16Å; L1551-L1554 HydrophobicContact CD1-CD1 4.35Å; L1554-Q1558 HydrophobicContact CD2-CB 3.81Å; L1554-F1559 HydrophobicContact CB-CD2 4.25Å; L1554-F1559 HydrophobicContact CB-CE1 4.34Å; L1554-F1559 HydrophobicContact CB-CE2 3.54Å; L1554-F1559 HydrophobicContact CB-CZ 3.6Å; L1554-F1559 HydrophobicContact CD1-CD1 4.33Å; L1554-F1559 HydrophobicContact CD1-CE1 3.76Å; L1554-F1559 HydrophobicContact CD1-CE2 4.44Å; L1554-F1559 HydrophobicContact CD1-CZ 3.83Å; L1554-F1559 HydrophobicContact CG-CZ 4.39Å; L1554-I1564 HydrophobicContact CD1-CD1 3.68Å; L1554-I1564 HydrophobicContact CD2-CD1 4.15Å
1555A88.9Confident92.8Very high44 Ų4459 Ų5936%0.36433%0.328SS..  trans-78.1156.6167.500000111.4L1553 D1557 Q1558 F1559L1553-A1555 PolarHBondContact O-N 3.05Å; A1555-D1557 VanDerWaalsContact CB-OD1 3.27Å; A1555-D1557 WeakPolarHBondContact CB-OD1 3.19Å; A1555-D1557 PolarHBondContact O-N 3.14Å; A1555-D1557 VanDerWaalsContact O-N 3.15Å; A1555-Q1558 HydrophobicContact CB-CG 4.3Å; A1555-Q1558 WeakPolarHBondContact O-CB 3.03Å; A1555-Q1558 PolarHBondContact O-N 3.38Å; A1555-F1559 VanDerWaalsContact O-CD2 3.28Å; A1555-F1559 WeakPolarHBondContact O-CD2 3.37Å; A1555-F1559 PolarHBondContact O-N 3.15Å
1556E87.1Confident92.7Very high87 Ų8754.1 Ų54.141%0.40731%0.305SS..Hα-helixtrans-53.9-38.2-176-167.3-175.8172.700112.8Q1558 F1559 I1560 L1572E1556-Q1558 VanDerWaalsContact C-N 3.29Å; E1556-Q1558 PolarHBondContact O-N 3.48Å; E1556-F1559 PolarHBondContact O-N 3.34Å; E1556-I1560 HydrophobicContact CG-CD1 4.45Å; E1556-I1560 WeakPolarHBondContact O-CD1 3.4Å; E1556-I1560 WeakPolarHBondContact O-CG1 2.72Å; E1556-L1572 WeakPolarHBondContact OE1-CD2 3.15Å
1557D88.3Confident92.7Very high84 Ų8460.9 Ų60.945%0.44933%0.334SS..Hα-helixtrans-69.2-24.7179.275.4-56.1000113.3A1555 I1560 Q1561A1555-D1557 VanDerWaalsContact CB-OD1 3.27Å; A1555-D1557 WeakPolarHBondContact CB-OD1 3.19Å; A1555-D1557 PolarHBondContact O-N 3.14Å; A1555-D1557 VanDerWaalsContact O-N 3.15Å; D1557-I1560 PolarHBondContact O-N 3.26Å; D1557-Q1561 WeakPolarHBondContact O-CB 3.47Å; D1557-Q1561 WeakPolarHBondContact O-CG 3.42Å; D1557-Q1561 PolarHBondContact O-N 2.97Å; D1557-Q1561 PolarHBondContact O-NE2 3.35Å; D1557-Q1561 PolarHBondContact OD2-NE2 2.85Å
1558Q90.1Very high92.6Very high88 Ų8863.7 Ų63.741%0.41135%0.348SS..Hα-helixtrans-80.7-22.4178.6-58.6-178.5-58.700112.9L1554 A1555 E1556L1554-Q1558 HydrophobicContact CD2-CB 3.81Å; A1555-Q1558 HydrophobicContact CB-CG 4.3Å; A1555-Q1558 WeakPolarHBondContact O-CB 3.03Å; A1555-Q1558 PolarHBondContact O-N 3.38Å; E1556-Q1558 VanDerWaalsContact C-N 3.29Å; E1556-Q1558 PolarHBondContact O-N 3.48Å
1559F93.3Very high92.6Very high2 Ų265.2 Ų65.21%0.00936%0.364CS..Hα-helixtrans-68-39.4165.4-67.3-84.6000110.9F1541 L1551 L1554 A1555 E1556 I1564 G1565 M1566 A1571 L1574 V1575F1541-F1559 HydrophobicContact CE1-CD1 4.27Å; F1541-F1559 AromaticContact CE1-CE1 3.89Å; F1541-F1559 HydrophobicContact CE1-CE1 3.89Å; F1541-F1559 AromaticContact CZ-CD1 3.82Å; F1541-F1559 HydrophobicContact CZ-CD1 3.82Å; F1541-F1559 AromaticContact CZ-CE1 3.82Å; F1541-F1559 HydrophobicContact CZ-CE1 3.82Å; L1551-F1559 HydrophobicContact CD1-CE1 4.03Å; L1551-F1559 HydrophobicContact CD1-CZ 4.11Å; L1554-F1559 HydrophobicContact CB-CD2 4.25Å; L1554-F1559 HydrophobicContact CB-CE1 4.34Å; L1554-F1559 HydrophobicContact CB-CE2 3.54Å; L1554-F1559 HydrophobicContact CB-CZ 3.6Å; L1554-F1559 HydrophobicContact CD1-CD1 4.33Å; L1554-F1559 HydrophobicContact CD1-CE1 3.76Å; L1554-F1559 HydrophobicContact CD1-CE2 4.44Å; L1554-F1559 HydrophobicContact CD1-CZ 3.83Å; L1554-F1559 HydrophobicContact CG-CZ 4.39Å; A1555-F1559 VanDerWaalsContact O-CD2 3.28Å; A1555-F1559 WeakPolarHBondContact O-CD2 3.37Å; A1555-F1559 PolarHBondContact O-N 3.15Å; E1556-F1559 PolarHBondContact O-N 3.34Å; F1559-I1564 HydrophobicContact CD1-CD1 4.4Å; F1559-G1565 PolarHBondContact O-N 3.4Å; F1559-M1566 HydrophobicContact CB-SD 4.04Å; F1559-M1566 HydrophobicContact CD1-SD 3.85Å; F1559-M1566 HydrophobicContact CG-SD 4.41Å; F1559-M1566 WeakPolarHBondContact O-CB 3.38Å; F1559-M1566 WeakPolarHBondContact O-CG 2.74Å; F1559-M1566 PolarHBondContact O-N 3.17Å; F1559-A1571 HydrophobicContact CB-CB 3.92Å; F1559-L1574 HydrophobicContact CD1-CD2 4.01Å; F1559-L1574 HydrophobicContact CE1-CD2 3.73Å; F1559-V1575 HydrophobicContact CD2-CG2 3.97Å; F1559-V1575 HydrophobicContact CE2-CG2 3.8Å; F1559-V1575 HydrophobicContact CZ-CG2 4.39Å
1560I93.4Very high92.6Very high62 Ų6260.8 Ų60.832%0.31835%0.346SS..Hα-helixtrans-79.3-39.9-173.5-58.6159.6000111.7E1556 D1557 G1565 M1566 I1568 A1571E1556-I1560 HydrophobicContact CG-CD1 4.45Å; E1556-I1560 WeakPolarHBondContact O-CD1 3.4Å; E1556-I1560 WeakPolarHBondContact O-CG1 2.72Å; D1557-I1560 PolarHBondContact O-N 3.26Å; I1560-G1565 CarbonylContact O-C 3.31Å; I1560-G1565 WeakPolarHBondContact O-CA 3.18Å; I1560-M1566 WeakPolarHBondContact CA-O 3.47Å; I1560-I1568 HydrophobicContact CD1-CD1 3.52Å; I1560-I1568 HydrophobicContact CG1-CD1 4.38Å; I1560-A1571 HydrophobicContact CG1-CB 3.87Å
1561Q91.5Very high92.7Very high99 Ų9959 Ų5946%0.46333%0.331SS..SBendtrans-79.4163.2178.9-73.3168.59600112.2D1557 I1564 G1565D1557-Q1561 WeakPolarHBondContact O-CB 3.47Å; D1557-Q1561 WeakPolarHBondContact O-CG 3.42Å; D1557-Q1561 PolarHBondContact O-N 2.97Å; D1557-Q1561 PolarHBondContact O-NE2 3.35Å; D1557-Q1561 PolarHBondContact OD2-NE2 2.85Å; Q1561-I1564 PolarHBondContact O-N 3.18Å; Q1561-G1565 PolarHBondContact O-N 3.12Å
1562P88.2Confident92.6Very high116 Ų11663.1 Ų63.175%0.75335%0.353SS*.THydrogen-bonded Turntrans-55.2142.9164.7-24.235.3000111.3
1563P89Confident92.7Very high64 Ų6466.2 Ų66.242%0.41636%0.364SS..THydrogen-bonded Turncis-91.2-3.915.438.1-39.9000115.5F1215 N1544F1215-P1563 HydrophobicContact CE2-CG 4.14Å; F1215-P1563 HydrophobicContact CZ-CG 3.86Å; N1544-P1563 VanDerWaalsContact OD1-CB 3.23Å; N1544-P1563 WeakPolarHBondContact OD1-CB 3.22Å; N1544-P1563 VanDerWaalsContact OD1-CG 3.24Å; N1544-P1563 WeakPolarHBondContact OD1-CG 3.49Å
1564I93.8Very high92.7Very high10 Ų1059.4 Ų59.45%0.05133%0.328CS..THydrogen-bonded Turntrans-87.2-41.2-175.5-42.8-177.4000111.5A1540 F1541 I1546 L1554 F1559 Q1561 M1566A1540-I1564 HydrophobicContact CB-CG2 4.16Å; F1541-I1564 HydrophobicContact CD2-CG2 4.26Å; F1541-I1564 HydrophobicContact CE1-CD1 4.19Å; F1541-I1564 HydrophobicContact CE2-CG2 3.7Å; F1541-I1564 HydrophobicContact CZ-CD1 4.29Å; F1541-I1564 HydrophobicContact CZ-CG2 3.92Å; I1546-I1564 HydrophobicContact CD1-CD1 3.57Å; I1546-I1564 HydrophobicContact CD1-CG1 4.03Å; L1554-I1564 HydrophobicContact CD1-CD1 3.68Å; L1554-I1564 HydrophobicContact CD2-CD1 4.15Å; F1559-I1564 HydrophobicContact CD1-CD1 4.4Å; Q1561-I1564 PolarHBondContact O-N 3.18Å; I1564-M1566 HydrophobicContact CG2-CG 3.71Å; I1564-M1566 HydrophobicContact CG2-SD 4.1Å; I1564-M1566 PolarHBondContact O-N 3.39Å
1565G93.1Very high92.8Very high41 Ų4158.9 Ų58.942%0.42333%0.327SS..  trans66.729.5168.800000115.3F1559 I1560 Q1561F1559-G1565 PolarHBondContact O-N 3.4Å; I1560-G1565 CarbonylContact O-C 3.31Å; I1560-G1565 WeakPolarHBondContact O-CA 3.18Å; Q1561-G1565 PolarHBondContact O-N 3.12Å
1566M94.8Very high93Very high4 Ų459.5 Ų59.52%0.0233%0.332CS..  trans-68.7142-178.5-59.3-174.571.500112.1C1534 Y1537 F1541 F1559 I1560 I1564 P1570 A1571 L1574C1534-M1566 HydrophobicContact CB-CE 4.26Å; Y1537-M1566 HydrophobicContact CD1-CB 4.29Å; Y1537-M1566 HydrophobicContact CD1-CG 3.82Å; Y1537-M1566 HydrophobicContact CD2-CE 3.77Å; Y1537-M1566 HydrophobicContact CD2-CG 4.25Å; Y1537-M1566 HydrophobicContact CE1-CB 4.29Å; Y1537-M1566 HydrophobicContact CE1-CG 4.32Å; Y1537-M1566 HydrophobicContact CE2-CE 4.39Å; Y1537-M1566 HydrophobicContact CG-CB 4.5Å; Y1537-M1566 HydrophobicContact CG-CE 4.09Å; Y1537-M1566 HydrophobicContact CG-CG 3.78Å; F1541-M1566 HydrophobicContact CE2-SD 3.97Å; F1541-M1566 HydrophobicContact CZ-SD 3.97Å; F1559-M1566 HydrophobicContact CB-SD 4.04Å; F1559-M1566 HydrophobicContact CD1-SD 3.85Å; F1559-M1566 HydrophobicContact CG-SD 4.41Å; F1559-M1566 WeakPolarHBondContact O-CB 3.38Å; F1559-M1566 WeakPolarHBondContact O-CG 2.74Å; F1559-M1566 PolarHBondContact O-N 3.17Å; I1560-M1566 WeakPolarHBondContact CA-O 3.47Å; I1564-M1566 HydrophobicContact CG2-CG 3.71Å; I1564-M1566 HydrophobicContact CG2-SD 4.1Å; I1564-M1566 PolarHBondContact O-N 3.39Å; M1566-P1570 HydrophobicContact CE-CB 3.84Å; M1566-P1570 WeakPolarHBondContact CE-O 2.75Å; M1566-A1571 HydrophobicContact CB-CB 4.13Å; M1566-L1574 HydrophobicContact CE-CB 4.38Å; M1566-L1574 HydrophobicContact CE-CD2 4.12Å; M1566-L1574 HydrophobicContact SD-CD2 4.09Å
1567K95.4Very high93.3Very high154 Ų15457.4 Ų57.467%0.6732%0.32SS*.  trans-64.5145.1162.9-69.8179.4179.7-179.70109.6Y1537 G1569 P1570 A1571Y1537-K1567 PolarHBondContact OH-N 3.04Å; K1567-G1569 VanDerWaalsContact C-N 3.29Å; K1567-G1569 PolarHBondContact O-N 3.12Å; K1567-G1569 VanDerWaalsContact O-N 3.15Å; K1567-P1570 HydrophobicContact CB-CG 4.27Å; K1567-P1570 WeakPolarHBondContact O-CD 3.19Å; K1567-A1571 PolarHBondContact O-N 3.48Å
1568I94.3Very high93.6Very high94 Ų9453.7 Ų53.748%0.48230%0.3SS..Hα-helixtrans-48.2-43.4-177.7-176.762.7000113.9I1560 A1571 L1572I1560-I1568 HydrophobicContact CD1-CD1 3.52Å; I1560-I1568 HydrophobicContact CG1-CD1 4.38Å; I1568-A1571 PolarHBondContact O-N 3.13Å; I1568-L1572 HydrophobicContact CD1-CD1 4.09Å; I1568-L1572 HydrophobicContact CD1-CG 4.22Å; I1568-L1572 HydrophobicContact CG1-CD1 3.91Å; I1568-L1572 WeakPolarHBondContact O-CB 3.42Å; I1568-L1572 WeakPolarHBondContact O-CG 3.37Å; I1568-L1572 PolarHBondContact O-N 3.07Å
1569G95.4Very high93.7Very high33 Ų3354.6 Ų54.634%0.3430%0.304SS..Hα-helixtrans-62.8-54.417900000113.8K1567 A1571 L1572 K1573K1567-G1569 VanDerWaalsContact C-N 3.29Å; K1567-G1569 PolarHBondContact O-N 3.12Å; K1567-G1569 VanDerWaalsContact O-N 3.15Å; G1569-A1571 VanDerWaalsContact C-N 3.31Å; G1569-A1571 PolarHBondContact O-N 3.15Å; G1569-L1572 PolarHBondContact O-N 3.07Å; G1569-K1573 WeakPolarHBondContact O-CG 3.42Å; G1569-K1573 PolarHBondContact O-N 3.26Å
1570P95.8Very high93.5Very high28 Ų2857.3 Ų57.318%0.18232%0.324CS..Hα-helixtrans-55.3-37.7169-31.736.4000115.1C1534 Y1537 M1566 K1567 L1574C1534-P1570 PolarHBondContact SG-O 3.2Å; Y1537-P1570 HydrophobicContact CD2-CB 4.19Å; Y1537-P1570 HydrophobicContact CE2-CB 3.62Å; Y1537-P1570 HydrophobicContact CE2-CG 3.85Å; M1566-P1570 HydrophobicContact CE-CB 3.84Å; M1566-P1570 WeakPolarHBondContact CE-O 2.75Å; K1567-P1570 HydrophobicContact CB-CG 4.27Å; K1567-P1570 WeakPolarHBondContact O-CD 3.19Å; P1570-L1574 PolarHBondContact O-N 3.17Å; P1570-L1574 VanDerWaalsContact O-N 3.09Å
1571A96.1Very high93.3Very high0 Ų055.8 Ų55.80%032%0.316CS..Hα-helixtrans-62.8-55.2176.200000111.1F1559 I1560 M1566 K1567 I1568 G1569 K1573 L1574 V1575F1559-A1571 HydrophobicContact CB-CB 3.92Å; I1560-A1571 HydrophobicContact CG1-CB 3.87Å; M1566-A1571 HydrophobicContact CB-CB 4.13Å; K1567-A1571 PolarHBondContact O-N 3.48Å; I1568-A1571 PolarHBondContact O-N 3.13Å; G1569-A1571 VanDerWaalsContact C-N 3.31Å; G1569-A1571 PolarHBondContact O-N 3.15Å; A1571-K1573 VanDerWaalsContact C-N 3.29Å; A1571-K1573 PolarHBondContact O-N 2.8Å; A1571-L1574 PolarHBondContact O-N 3.26Å; A1571-V1575 WeakPolarHBondContact O-CG2 3.46Å; A1571-V1575 PolarHBondContact O-N 2.95Å
1572L95.1Very high93Very high86 Ų8655.2 Ų55.245%0.4531%0.312SS..Hα-helixtrans-52.2-43.9175.4-79.3164.1000112.7E1556 I1568 G1569 L1574 V1575 A1576E1556-L1572 WeakPolarHBondContact OE1-CD2 3.15Å; I1568-L1572 HydrophobicContact CD1-CD1 4.09Å; I1568-L1572 HydrophobicContact CD1-CG 4.22Å; I1568-L1572 HydrophobicContact CG1-CD1 3.91Å; I1568-L1572 WeakPolarHBondContact O-CB 3.42Å; I1568-L1572 WeakPolarHBondContact O-CG 3.37Å; I1568-L1572 PolarHBondContact O-N 3.07Å; G1569-L1572 PolarHBondContact O-N 3.07Å; L1572-L1574 VanDerWaalsContact C-N 3.35Å; L1572-L1574 PolarHBondContact O-N 3.41Å; L1572-V1575 PolarHBondContact O-N 3.11Å; L1572-A1576 WeakPolarHBondContact O-CB 3.17Å; L1572-A1576 PolarHBondContact O-N 2.97Å
1573K95.3Very high92.4Very high114 Ų11456.2 Ų56.250%0.49631%0.311SS..Hα-helixtrans-62.8-38.5176.8-79.7179.7165.8-169.80113.3P1532 G1569 A1571 R1577P1532-K1573 WeakPolarHBondContact O-CD 3.36Å; P1532-K1573 PolarHBondContact O-NZ 3.27Å; G1569-K1573 WeakPolarHBondContact O-CG 3.42Å; G1569-K1573 PolarHBondContact O-N 3.26Å; A1571-K1573 VanDerWaalsContact C-N 3.29Å; A1571-K1573 PolarHBondContact O-N 2.8Å; K1573-R1577 PolarHBondContact O-N 3.06Å
1574L95.5Very high91.1Very high0 Ų058.1 Ų58.10%033%0.325CS..Hα-helixtrans-73.1-43.2179.3-170.368.9000110.8F1527 V1528 T1531 F1541 F1559 M1566 P1570 A1571 L1572 R1577 L1578F1527-L1574 HydrophobicContact CD1-CD1 4.03Å; F1527-L1574 HydrophobicContact CE1-CD1 3.57Å; F1527-L1574 HydrophobicContact CE1-CG 4.35Å; F1527-L1574 HydrophobicContact CZ-CD1 4.3Å; V1528-L1574 HydrophobicContact CB-CD1 4.49Å; V1528-L1574 HydrophobicContact CG2-CD1 3.93Å; V1528-L1574 HydrophobicContact CG2-CD2 3.98Å; T1531-L1574 HydrophobicContact CG2-CD1 4.13Å; F1541-L1574 HydrophobicContact CE1-CD2 4.18Å; F1541-L1574 HydrophobicContact CE2-CD2 4.07Å; F1541-L1574 HydrophobicContact CZ-CD2 3.44Å; F1541-L1574 VanDerWaalsContact CZ-CD2 3.44Å; F1559-L1574 HydrophobicContact CD1-CD2 4.01Å; F1559-L1574 HydrophobicContact CE1-CD2 3.73Å; M1566-L1574 HydrophobicContact CE-CB 4.38Å; M1566-L1574 HydrophobicContact CE-CD2 4.12Å; M1566-L1574 HydrophobicContact SD-CD2 4.09Å; P1570-L1574 PolarHBondContact O-N 3.17Å; P1570-L1574 VanDerWaalsContact O-N 3.09Å; A1571-L1574 PolarHBondContact O-N 3.26Å; L1572-L1574 VanDerWaalsContact C-N 3.35Å; L1572-L1574 PolarHBondContact O-N 3.41Å; L1574-R1577 PolarHBondContact O-N 2.69Å; L1574-L1578 WeakPolarHBondContact O-CB 2.86Å; L1574-L1578 PolarHBondContact O-N 3.37Å
1575V94.2Very high89Confident26 Ų2663.5 Ų63.516%0.15836%0.362CS..Hα-helixtrans-60.2-50.9175.7173.70000110.9F1559 A1571 L1572 R1577 L1578 E1579F1559-V1575 HydrophobicContact CD2-CG2 3.97Å; F1559-V1575 HydrophobicContact CE2-CG2 3.8Å; F1559-V1575 HydrophobicContact CZ-CG2 4.39Å; A1571-V1575 WeakPolarHBondContact O-CG2 3.46Å; A1571-V1575 PolarHBondContact O-N 2.95Å; L1572-V1575 PolarHBondContact O-N 3.11Å; V1575-R1577 VanDerWaalsContact C-N 3.29Å; V1575-R1577 PolarHBondContact O-N 3.3Å; V1575-L1578 CarbonylContact O-C 3.32Å; V1575-L1578 WeakPolarHBondContact O-CA 3.4Å; V1575-L1578 WeakPolarHBondContact O-CB 3.28Å; V1575-L1578 PolarHBondContact O-N 3.12Å; V1575-E1579 HydrophobicContact CG1-CG 4.38Å; V1575-E1579 WeakPolarHBondContact O-CG 3.3Å; V1575-E1579 PolarHBondContact O-N 2.97Å
1576A93.4Very high88.8Confident57 Ų5764.6 Ų64.647%0.47136%0.359SS..Hα-helixtrans-60.1-36.517900000112.9L1572 S1580L1572-A1576 WeakPolarHBondContact O-CB 3.17Å; L1572-A1576 PolarHBondContact O-N 2.97Å; A1576-S1580 PolarHBondContact O-N 3.3Å; A1576-S1580 VanDerWaalsContact O-N 3.09Å
1577R93.1Very high88.5Confident44 Ų4467.8 Ų67.817%0.16638%0.377CS..Hα-helixtrans-72-37173.9-163.3-175.5-179.4-166.51.9111.8N1509 F1527 G1530 T1531 K1573 L1574 V1575 S1580 L1581N1509-R1577 PolarHBondContact O-NH2 3.27Å; F1527-R1577 HydrophobicContact CE2-CB 4.39Å; F1527-R1577 VanDerWaalsContact CE2-CD 3.5Å; F1527-R1577 HydrophobicContact CE2-CG 3.76Å; F1527-R1577 HydrophobicContact CZ-CB 3.98Å; F1527-R1577 HydrophobicContact CZ-CG 3.87Å; G1530-R1577 PolarHBondContact O-NH1 2.79Å; T1531-R1577 WeakPolarHBondContact OG1-CD 3.42Å; T1531-R1577 PolarHBondContact OG1-NH1 2.8Å; K1573-R1577 PolarHBondContact O-N 3.06Å; L1574-R1577 PolarHBondContact O-N 2.69Å; V1575-R1577 VanDerWaalsContact C-N 3.29Å; V1575-R1577 PolarHBondContact O-N 3.3Å; R1577-S1580 PolarHBondContact O-N 3.31Å; R1577-S1580 PolarHBondContact O-OG 3.41Å; R1577-L1581 PolarHBondContact O-N 3.22Å
1578L93.9Very high88.1Confident6 Ų663 Ų633%0.03136%0.36CS..Hα-helixtrans-64.2-42.5175.7-176.464.5000111.2I1516 F1527 L1551 L1574 V1575 L1581 K1582I1516-L1578 HydrophobicContact CD1-CD1 4.02Å; I1516-L1578 HydrophobicContact CG2-CD1 4.18Å; F1527-L1578 HydrophobicContact CE1-CB 4.49Å; F1527-L1578 HydrophobicContact CE1-CD1 4.44Å; F1527-L1578 HydrophobicContact CZ-CB 4.46Å; L1551-L1578 HydrophobicContact CD1-CD2 4.25Å; L1551-L1578 HydrophobicContact CD2-CD1 3.78Å; L1551-L1578 HydrophobicContact CG-CD1 4.07Å; L1551-L1578 HydrophobicContact CG-CD2 3.94Å; L1574-L1578 WeakPolarHBondContact O-CB 2.86Å; L1574-L1578 PolarHBondContact O-N 3.37Å; V1575-L1578 CarbonylContact O-C 3.32Å; V1575-L1578 WeakPolarHBondContact O-CA 3.4Å; V1575-L1578 WeakPolarHBondContact O-CB 3.28Å; V1575-L1578 PolarHBondContact O-N 3.12Å; L1578-L1581 PolarHBondContact O-N 2.82Å; L1578-L1581 VanDerWaalsContact O-N 3.15Å; L1578-K1582 WeakPolarHBondContact O-CG 3.21Å; L1578-K1582 PolarHBondContact O-N 3.42Å
1579E92Very high87.8Confident106 Ų10661.2 Ų61.250%0.49535%0.353SS..Hα-helixtrans-61.3-41.8173.1-71.2178159.200112.1V1575 L1581 K1582 N1583V1575-E1579 HydrophobicContact CG1-CG 4.38Å; V1575-E1579 WeakPolarHBondContact O-CG 3.3Å; V1575-E1579 PolarHBondContact O-N 2.97Å; E1579-L1581 PolarHBondContact O-N 2.66Å; E1579-L1581 VanDerWaalsContact O-N 3.13Å; E1579-K1582 PolarHBondContact O-N 3Å; E1579-N1583 PolarHBondContact O-N 2.98Å
1580S90.2Very high87.3Confident60 Ų6062.9 Ų62.942%0.4235%0.354SS..Hα-helixtrans-60.6-23.4175.476.30000113.7A1576 R1577 C1584A1576-S1580 PolarHBondContact O-N 3.3Å; A1576-S1580 VanDerWaalsContact O-N 3.09Å; R1577-S1580 PolarHBondContact O-N 3.31Å; R1577-S1580 PolarHBondContact O-OG 3.41Å; S1580-C1584 PolarHBondContact O-SG 2.81Å
1581L89.1Confident86.7Confident29 Ų2965.3 Ų65.315%0.15237%0.365CS..Hα-helixtrans-96.3-32.5176.9-64.2176.2000113.1P1511 I1516 W1519 F1527 R1577 L1578 E1579 N1583 C1584 C1585P1511-L1581 HydrophobicContact CB-CD1 3.57Å; P1511-L1581 HydrophobicContact CB-CD2 4.43Å; P1511-L1581 HydrophobicContact CG-CD1 3.88Å; P1511-L1581 HydrophobicContact CG-CD2 3.84Å; I1516-L1581 HydrophobicContact CD1-CB 3.92Å; W1519-L1581 HydrophobicContact CH2-CD1 3.9Å; F1527-L1581 HydrophobicContact CD2-CD1 4.06Å; F1527-L1581 HydrophobicContact CE2-CD1 3.45Å; F1527-L1581 VanDerWaalsContact CE2-CD1 3.45Å; F1527-L1581 HydrophobicContact CZ-CD1 4.14Å; R1577-L1581 PolarHBondContact O-N 3.22Å; L1578-L1581 PolarHBondContact O-N 2.82Å; L1578-L1581 VanDerWaalsContact O-N 3.15Å; E1579-L1581 PolarHBondContact O-N 2.66Å; E1579-L1581 VanDerWaalsContact O-N 3.13Å; L1581-N1583 PolarHBondContact O-N 3.05Å; L1581-C1584 PolarHBondContact O-N 2.78Å; L1581-C1584 VanDerWaalsContact O-N 3.12Å; L1581-C1585 PolarHBondContact O-N 2.97Å; L1581-C1585 PolarHBondContact O-SG 3.43Å; L1581-C1585 VanDerWaalsContact O-SG 3.39Å
1582K86.1Confident86.1Confident88 Ų8869.9 Ų69.938%0.38339%0.392SS..Hα-helixtrans-55.4-28.4168.1-78.7179171.1-179.30112I1516 L1552 L1578 E1579I1516-K1582 HydrophobicContact CD1-CG 3.99Å; L1552-K1582 HydrophobicContact CD2-CD 4.2Å; L1552-K1582 HydrophobicContact CD2-CG 3.88Å; L1552-K1582 PolarHBondContact O-NZ 2.86Å; L1578-K1582 WeakPolarHBondContact O-CG 3.21Å; L1578-K1582 PolarHBondContact O-N 3.42Å; E1579-K1582 PolarHBondContact O-N 3Å
1583N74.3Confident85.4Confident137 Ų13768.7 Ų68.773%0.73339%0.387SS*.THydrogen-bonded Turntrans-97.83.4-178.6-60-9.7000114E1579 L1581E1579-N1583 PolarHBondContact O-N 2.98Å; L1581-N1583 PolarHBondContact O-N 3.05Å
1584C63.2Low84.5Confident103 Ų10364.9 Ų64.970%0.69638%0.378SS*.  trans-119.810.1177.3-64.10000113.3S1580 L1581S1580-C1584 PolarHBondContact O-SG 2.81Å; L1581-C1584 PolarHBondContact O-N 2.78Å; L1581-C1584 VanDerWaalsContact O-N 3.12Å
1585C49.5Very low83.5Confident123 Ų12370.8 Ų70.883%0.83141%0.412SS*.  trans-130.60179.5-58.40000110.3L1581L1581-C1585 PolarHBondContact O-N 2.97Å; L1581-C1585 PolarHBondContact O-SG 3.43Å; L1581-C1585 VanDerWaalsContact O-SG 3.39Å

Retrieved 1,585 of 1,585 residues in 376.2 ms (Link to these results)