A0A3Q0KPR7_SCHMA Loading...

Putative pi3kinase

AlphaFold DB , UniProt , Accession A0A3Q0KPR7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,640 aa.

>A0A3Q0KPR7_SCHMA|A0A3Q0KPR7
MDNRDRKKNKSVSCLDEQTDTTTSVNLNKQNNMNTNINNTDEITSNNSNNKHFTTSSPSTSSSPKMKALGTTITPIKTPPVNNPVRQIMNTSSHSPLSLSSDQSTIVSVKASQNIDSENQNGQLQSSSSSLAQNTNNTTKVDTNNIHSFSSTDSGRSSISSSQTSNGEEISENRYDKTKVNTLMVTKTDGRSDSHKLDGSSNSNNNNSNNDNSIDGLPSVSSELDIYSDVTLIPRSNVNVDYTIKPGKKSTKRVNGRKPVKGIKTTTRHNVGRTKQNELKLHDELLSECELGTSSSSSYTLAASKVNRQHKLEKIYPQTFKPKSVNNQSSFQDCSINADNIKNNIESGQESQQSTTPDLSSFPSLSSSSPSSTSPCSMSRANHTGDETVKENSSLTDEIQIRTPYNATQRRKELFTQISNNISDHEGDCYELRSNTSDIETTTFNNLSISISTSNDMNELNRETKSEISSPLGFVKTTEMARSNSIPDIFDSSTTITSKSVTTSSVLVNTNAPLRAGASNTSNLYPRSKSHYASKDPDHFINHSFATNRRKSRYNSNNNNNLDYSNLNLKSLLSNKYMKSFLMQPFLIPDYMNTSAYSTLNGYDLANLRKSFFNNEGSKQNFQTAAAAAAAAALLPEPGLFINSPCYYWLPSLGFNNYTKNTTTTYTTDCVKLYNDKITNSNGNNSVNYVNGGNRYMLQQLTNQTNHGVDESKSYETPKVSISRTPENSRMALKSLTKEEKYSQKNKPDDEINHTKRDCKLSNGQIHTNNVNKIISNPISRSMTKLNSLTPEDAINSDNFENRPSSAKDLTTNDVQSKSVNVSSMSIYKGSSSCNSNSKTNRIQSTTDYLNSDSNSDKLGSVKYTSTESNSEVMLMNISNSLGQPISIITNPIQIDTLQMSNEDIMNTGRSGTVSSAVKIEAVSTATTTTTAGLTTNYIPNPDSYLTAPTTFFYFYNNEGQLFALPSNALIFPTTVGRLGTTTVSNETAYSSPSSFITPQVNGNSSSTNCCNNSSTIRTTSCVSNYEVPEQLYSGSNYSTILKHADNNQCRDLISGYSVPIQPSFLNGFHQWVPGQITLDNQTGIQQLQNSSTNSLVMPSNQGVLLHPSCPFPLPSVGLIQPLISNIYSNQNFNSTSSSDDNANRNSSSKQKNNQSNICSLMNRSTDQFKLRRFTNDLPSLLGNAKSTRSSMNSGKLINSNNNHSKYSGKGLMSTFLDDYSNTLNNQTAGNRQKKHASKTNLYIRGLPTTFTEEELHTLAPDRKLIRSVKLIAGAEGEMYGFIDFVNNEAAKSALLHIKSGNREIYVNFAYESEKDPQNVYITNIPESWTASNVEDLKQIFQPYGPIATAIVMTKRSNNFCTGAGFVRFVRSEDAQRAIDGIRNAQITLENGKGPLEVKLADRQKPSDDQPSTTKARSSKRNSEPPESSTSTSLMNGNEETARYPRTRKQSDCLLPNDNQLSNHNVINSNQLRSNPGVLGPASDLTSWDVTNRLNNSDSLMLALRAAWASNSLQNSNFLLRNSIGQNNLTSTNENNRGLLPIPNQTVHLTNFMSQQKIPNGILHNQNPVQHNLVTGPTAVAAAAAQAVTALLPFSRPIDNYSLSQALMHTPVTPSMIGPMIQPASNWTASPLIPNIYQSI
Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33Very low32.2Very low224 Ų224170.2 Ų170.2100%1.10381%0.807SS**  086.50-66.9176.4-179.400107.1
2D33.4Very low32.2Very low136 Ų136166.6 Ų166.673%0.72780%0.803SS**  cis74.7128.248.5-56.1-68.4000112.3
3N32.9Very low32Very low118 Ų118161.5 Ų161.563%0.63180%0.795SS**  cis-153.1-175.2-15.4-138.7-51.9000111.7
4R33.4Very low31.5Very low208 Ų208158 Ų15879%0.78579%0.793SS**  trans-48156.1168.1-63.9160.2-164.4174.35.3111.3
5D36.9Very low31.5Very low158 Ų158158.5 Ų158.585%0.84580%0.798SS**  cis-138.1169.244-108.5-53.9000118.4
6R35.7Very low31.4Very low206 Ų206157.9 Ų157.978%0.77780%0.798SS**  trans-143.7136.6-162.9-120178177.2177.11.6112.4
7K34.7Very low31.3Very low174 Ų174160.2 Ų160.276%0.75781%0.805SS**  trans71.7145.5160.4-59.2169.1-179.4177.40114.2
8K34.5Very low31.2Very low185 Ų185161.4 Ų161.480%0.80481%0.808SS**  cis-152.7115.28.3-134.4171.4-176.8-172.30109.8
9N24.4Very low31.2Very low167 Ų167159.6 Ų159.689%0.89381%0.806SS**  trans-95.9137.3151.5-87.1-14000107.7
10K32.1Very low31.2Very low197 Ų197158.6 Ų158.686%0.85780%0.803SS**  trans-158.3111.5157.4-119.9-161.8175.9-1570111
11S23.7Very low31.1Very low99 Ų99157.6 Ų157.669%0.69281%0.805SS**  trans-81.4-172.4147.848.90000109.2
12V32.1Very low31Very low127 Ų127153.3 Ų153.377%0.7779%0.792SS**  trans72.8124.1176.4-1700000112.8
13S28.8Very low30.9Very low100 Ų100153.2 Ų153.270%0.69980%0.796SS**  cis-155.5179-4.350.90000110.2
14C25.2Very low30.7Very low113 Ų113152.2 Ų152.276%0.76480%0.798SS**  trans-58.1153.2154.7-50.30000110.6
15L31.4Very low30.8Very low165 Ų165149.4 Ų149.486%0.86480%0.804SS**  trans-142.6112.7153.8-104.8169.9000106.4
16D29.8Very low30.5Very low149 Ų149147.9 Ų147.980%0.79780%0.796SS**  trans-74.6138.1160.9-61.8-77.6000107.9
17E29.7Very low30.3Very low198 Ų198144.9 Ų144.993%0.92580%0.795SS**  trans-125.270.1173.7-156163.2-132.100109.2
18Q30.2Very low30.2Very low181 Ų181143.2 Ų143.285%0.84679%0.794SS**  trans-116.1114.2162.1-76.9-169.5-16.900108.8
19T31.1Very low30.3Very low127 Ų127142.3 Ų142.378%0.77979%0.79SS**  trans-167.1107.4141.316.50000109.4
20D30.5Very low30.8Very low139 Ų139141.5 Ų141.574%0.74378%0.781SS**  trans55.7104.9133.1-50.3-26.6000120.6T22D20-T22 PolarHBondContact O-N 3.27Å
21T29.2Very low30.7Very low139 Ų139139.8 Ų139.885%0.85378%0.781SS**  trans-51.1127.4138.848.20000111.8
22T31.5Very low31Very low133 Ų133142.5 Ų142.582%0.81679%0.788SS**  trans-169.2110.1136.8120000114D20D20-T22 PolarHBondContact O-N 3.27Å
23T30.7Very low30.9Very low135 Ų135144.4 Ų144.483%0.82879%0.79SS**  trans-157.4144.316037.30000108.4
24S30Very low31Very low96 Ų96145.5 Ų145.567%0.67179%0.789SS**  cis-176.7132.8-17.347.70000109.5
25V34.6Very low31.4Very low150 Ų150145 Ų14591%0.90978%0.782SS**  trans-139.771.5159-171.10000107.3
26N30Very low31.3Very low125 Ų125144.5 Ų144.567%0.66878%0.78SS**  78.7107.176.9-174.917.9000112.9
27L32.4Very low31.4Very low144 Ų144144 Ų14475%0.75478%0.776SS**  trans162.696.5134.3-88.5167.8000111.8
28N32.4Very low31.5Very low139 Ų139141.1 Ų141.174%0.74377%0.767SS**  178.3122.3115.3-98.2-58.3000114.9
29K35.5Very low31.5Very low166 Ų166139.1 Ų139.172%0.72276%0.762SS**  trans49.8113.2139.7-71.3-178.9166.9-173.70122.9
30Q35Very low31.4Very low149 Ų149138.1 Ų138.170%0.69676%0.756SS**  80.7102.2121-66.2175.1-76.300120.5
31N31.6Very low31.5Very low162 Ų162138.2 Ų138.287%0.86676%0.756SS**  43.3130.1119-57.414000120.4
32N29.2Very low31.5Very low156 Ų156139.3 Ų139.383%0.83475%0.752SS**  trans-117.8133.9157.6-175.87.3000108.7
33M30.9Very low31.6Very low166 Ų166138.9 Ų138.982%0.81874%0.744SS**  trans167.7151.9157-94.2-76.8-94.100112.9
34N30.3Very low31.6Very low124 Ų124138.1 Ų138.166%0.66374%0.739SS**  trans88.9110.3156.9-72.37000124
35T33.5Very low31.6Very low102 Ų102138 Ų13863%0.62674%0.738SS**  73.6103.6125.960.30000123.7
36N29.2Very low31.2Very low154 Ų154137.9 Ų137.982%0.82473%0.732SS**  169.4124.3119.5-85.1-9000107.8
37I32.7Very low31.1Very low138 Ų138138.8 Ų138.871%0.70874%0.737SS**  cis107.9119.821-62.2171.7000113.7
38N30Very low31Very low139 Ų139136.8 Ų136.874%0.74374%0.735SS**  trans-20144.2174.7-45.1-12.1000121.4
39N30.7Very low31Very low139 Ų139136.3 Ų136.374%0.74373%0.733SS**  172117.6114.9-84.8-3.4000109.8
40T30.4Very low30.8Very low105 Ų105133.2 Ų133.264%0.64472%0.724SS**  73.2141.793.9720000116.5
41D32Very low30.5Very low141 Ų141133.8 Ų133.875%0.75472%0.724SS**  trans69.7149162.5-39.2-49.5000116.4
42E29.7Very low30.5Very low162 Ų162132.8 Ų132.876%0.75771%0.714SS**  cis-159.9-179.6-8.5-134-167.5153.700111.6
43I32.5Very low30.5Very low125 Ų125133.2 Ų133.264%0.64171%0.709SS**  trans66.193.7147.9-68.2164.9000120.6
44T30.8Very low30.3Very low119 Ų119129.6 Ų129.673%0.7370%0.696SS**  trans45.9141.9130.372.10000125.5
45S30.2Very low30.1Very low94 Ų94129.5 Ų129.566%0.65770%0.7SS**  107109.2128.576.90000121.3
46N25.7Very low29.9Very low146 Ų146129.5 Ų129.578%0.78170%0.704SS**  67.5149123.9-62.4-9.9000123.6
47N27.8Very low29.9Very low144 Ų144127 Ų12777%0.7770%0.699SS**  trans71.799.2153-69.6-13.6000120.1
48S30.9Very low30.1Very low103 Ų103125.1 Ų125.172%0.7270%0.696SS**  84.3159127.889.40000116.7
49N33.2Very low29.9Very low129 Ų129123.9 Ų123.969%0.6970%0.698SS**  cis-150.2162.310.7-136.2-28000112.1
50N31Very low29.8Very low100 Ų100122.1 Ų122.154%0.53569%0.692SS.*  trans34.2116.8154.7-69.2-44.7000120.2
51K27.7Very low29.6Very low162 Ų162121.8 Ų121.870%0.70469%0.694SS**  68.5156.784-67.5177.4-165157.90114.8
52H31.4Very low29.7Very low140 Ų140119.8 Ų119.865%0.64869%0.691SS**  trans71.4139.9161.8-69.1-68.2000115.7
53F29.2Very low29.8Very low166 Ų166116.8 Ų116.873%0.72869%0.688SS**  cis-163.2164.1-18.1-139.8-152.5000111.1
54T26.5Very low30Very low90 Ų90115.6 Ų115.655%0.55269%0.688SS**  trans35.2133.214654.60000122.6
55T26.1Very low30Very low121 Ų121119.5 Ų119.574%0.74270%0.695SS**  trans72.715013555.60000120.8
56S30.5Very low29.7Very low102 Ų102123.4 Ų123.471%0.71371%0.705SS**  trans71.1144.8166.773.90000114.3
57S28.2Very low30Very low103 Ų103125.9 Ų125.972%0.7271%0.709SS**  cis64.4167.626-38.20000112.4
58P38.2Very low30Very low98 Ų98123 Ų12364%0.63671%0.706SS**  cis-72.5176.4-17.9-7.928.7000111.1
59S25.9Very low29.9Very low112 Ų112126.7 Ų126.778%0.78372%0.716SS**  cis65.9-176.938.2134.30000112.4
60T28.1Very low29.9Very low103 Ų103123.6 Ų123.663%0.63272%0.715SS**  trans58100.7-177.749.10000114.9
61S26.1Very low29.6Very low98 Ų98124.9 Ų124.969%0.68573%0.726SS**  64.9143.27083.20000112.7
62S33.9Very low29.5Very low98 Ų98123.5 Ų123.569%0.68573%0.731SS**  cis-144.7163.230.866.70000111.3
63S31.1Very low29.8Very low99 Ų99123 Ų12369%0.69273%0.733SS**  cis60.616835.1-35.80000112.5
64P36.8Very low30Very low100 Ų100121 Ų12165%0.64973%0.734SS**  cis-121.8162.4-47.734.9-22.9000112.3
65K31.8Very low30.3Very low202 Ų202121.2 Ų121.288%0.87874%0.737SS**  trans-168120151.6-97.6136.7-172.7173.40105.5
66M24.3Very low30.4Very low176 Ų176121.6 Ų121.687%0.86773%0.733SS**  cis59.166.129.3-73-165.374.300114.5
67K32.1Very low30.6Very low198 Ų198124.5 Ų124.586%0.86173%0.733SS**  -139.5131.9125.9-79.3-178178.5178.20105.3
68A27.1Very low31.2Very low84 Ų84124 Ų12469%0.69473%0.725SS**  cis73.5131.538.800000113.4
69L28.4Very low30.9Very low180 Ų180122.4 Ų122.494%0.94272%0.715SS**  trans73.6156.3-178.6-48.6168.3000115
70G32.5Very low31.4Very low64 Ų64122.9 Ų122.966%0.6672%0.716SS**  trans83.996-173.500000111.9
71T26.6Very low31.6Very low127 Ų127122.6 Ų122.678%0.77971%0.714SS**  cis54.4119.629.569.80000115.7
72T25.6Very low32Very low132 Ų132124.6 Ų124.681%0.8172%0.717SS**  trans79.5162.9157-38.30000116.2
73I35.8Very low32Very low131 Ų131125.1 Ų125.167%0.67271%0.712SS**  trans73.687.4172.8-44.8-178.5000114P75I73-P75 HydrophobicContact CG2-CB 4.04Å; I73-P75 HydrophobicContact CG2-CG 4.01Å; I73-P75 WeakPolarHBondContact O-CD 3.35Å
74T34.7Very low32.3Very low122 Ų122126 Ų12675%0.74872%0.715SS**  trans-65.4123.3131.137.80000109.1
75P32.7Very low32Very low96 Ų96126.9 Ų126.962%0.62372%0.718SS**  trans-102.9117.1163.224.4-7000108.8I73I73-P75 HydrophobicContact CG2-CB 4.04Å; I73-P75 HydrophobicContact CG2-CG 4.01Å; I73-P75 WeakPolarHBondContact O-CD 3.35Å
76I28.1Very low31.8Very low129 Ų129128.3 Ų128.366%0.66272%0.718SS**  81.2105.892.7-72.9166.1000112
77K35.1Very low32.1Very low162 Ų162128 Ų12870%0.70471%0.714SS**  trans78.9111.9145.6-66.5172.6-171.8174.50121.4
78T41.1Very low32Very low93 Ų93125.1 Ų125.157%0.57171%0.707SS**  -66133.497.149.20000109
79P31.6Very low32.2Very low64 Ų64129.6 Ų129.642%0.41672%0.716SS.*  -145.6-142.555.745.4-23.6000110.8V81P79-V81 HydrophobicContact CB-CB 4.26Å; P79-V81 HydrophobicContact CB-CG2 3.63Å; P79-V81 HydrophobicContact CG-CB 4.37Å; P79-V81 HydrophobicContact CG-CG2 3.7Å
80P36.6Very low32.3Very low123 Ų123128 Ų12880%0.79971%0.708SS**  cis-78.1152.315.1-15.433.3000114.3
81V31.3Very low32.3Very low97 Ų97131.3 Ų131.359%0.58872%0.716SS**  cis73.785.133.41740000112.6P79P79-V81 HydrophobicContact CB-CB 4.26Å; P79-V81 HydrophobicContact CB-CG2 3.63Å; P79-V81 HydrophobicContact CG-CB 4.37Å; P79-V81 HydrophobicContact CG-CG2 3.7Å
82N35Very low32.4Very low140 Ų140130.3 Ų130.375%0.74971%0.714SS**  179.6130102.7-98.4-24.7000114.6
83N34.5Very low32.7Very low109 Ų109128.6 Ų128.658%0.58371%0.707SS**  trans-75.5146.8134.5-83.5-30.5000106.9
84P37.3Very low32.7Very low116 Ų116130.9 Ų130.975%0.75372%0.715SS**  -126.5143.685.44.618.1000111.9
85V30.5Very low32.6Very low119 Ų119130 Ų13072%0.72171%0.714SS**  65.6113.869.5-177.90000113.9
86R27.9Very low32.8Very low233 Ų233130.8 Ų130.888%0.87972%0.719SS**  trans-14.9134160.3-54170.6175.8-171-3.4114.5
87Q30.6Very low32.8Very low169 Ų169132.7 Ų132.779%0.7973%0.73SS**  -166.9145.276.3-91.5179.8-31.700114.2
88I28.4Very low32.5Very low137 Ų137129.3 Ų129.370%0.70373%0.726SS**  trans32.6102.9134.1-43168000118.3
89M31.6Very low32Very low179 Ų179131.4 Ų131.488%0.88273%0.733SS**  -167.6168.9113-109-169.6-79.900112.6
90N29.9Very low31.8Very low145 Ų145131.7 Ų131.778%0.77574%0.737SS**  trans-83.3144.8-165.9-55.7-39.4000113.8
91T33Very low31.6Very low134 Ų134128.8 Ų128.882%0.82272%0.719SS**  -178.6134.8109.225.50000114
92S30.1Very low31.7Very low106 Ų106131 Ų13174%0.74173%0.728SS**  trans24.5113.5155.756.90000121.8
93S30.8Very low31.6Very low96 Ų96133.4 Ų133.467%0.67173%0.734SS**  164.9144.895.153.80000113.2
94H36.3Very low31.3Very low179 Ų179133.4 Ų133.483%0.82974%0.743SS**  trans59.8138.4172.6-51.2-71000117.5
95S31.7Very low31Very low104 Ų104134.3 Ų134.373%0.72775%0.747SS**  cis-150.9155.9-16.3-80.40000108.5
96P36.3Very low30.9Very low113 Ų113136.2 Ų136.273%0.73475%0.751SS**  trans-95.5166.8-159.137.6-37.9000115.7
97L29.9Very low30.9Very low169 Ų169131.5 Ų131.589%0.88575%0.748SS**  cis-161.6-175.5-13-112168.6000110.8
98S27.3Very low30.8Very low91 Ų91128.1 Ų128.164%0.63674%0.743SS**  trans-138.9144.6-165.960.10000117.1
99L31.9Very low30.9Very low137 Ų137127.4 Ų127.472%0.71775%0.745SS**  trans42.5130.8145.9-68.6159.5000122.6I341L99-I341 HydrophobicContact CB-CD1 3.7Å; L99-I341 WeakPolarHBondContact O-CD1 3.24Å; L99-I341 WeakPolarHBondContact O-CG2 3.44Å
100S27.5Very low30.8Very low70 Ų70128.1 Ų128.149%0.4974%0.743SS.*  trans43.8171.5157.124.90000120.4N340 I341S100-N340 WeakPolarHBondContact CB-O 3.37Å; S100-N340 PolarHBondContact OG-O 2.73Å; S100-N340 VanDerWaalsContact OG-O 3.12Å; S100-I341 VanDerWaalsContact O-CG2 3.24Å; S100-I341 WeakPolarHBondContact O-CG2 3.42Å
101S32Very low30.9Very low61 Ų61125.2 Ų125.243%0.42774%0.739SS.*  cis-146.4-152.4-2855.70000110I341 K342S101-I341 WeakPolarHBondContact CA-O 3.43Å; S101-I341 PolarHBondContact N-O 3.49Å; S101-I341 PolarHBondContact OG-N 3Å; S101-I341 PolarHBondContact OG-O 3.15Å; S101-K342 PolarHBondContact N-O 2.84Å
102D32.8Very low30.6Very low145 Ų145123.4 Ų123.478%0.77573%0.732SS**  trans-82.7133.9-158.7-49.1-75000116.4
103Q33Very low30.8Very low189 Ų189126.4 Ų126.488%0.88373%0.734SS**  -175.9176.4107.8-96.5-173.621.100111.2
104S29.7Very low30.4Very low110 Ų110129.2 Ų129.277%0.76974%0.742SS**  trans-136.7127.3-157.9610000116
105T30.7Very low30.2Very low135 Ų135125.9 Ų125.983%0.82873%0.729SS**  trans-152.4113.4155.11.90000114.1
106I27.7Very low30.2Very low159 Ų159127.8 Ų127.882%0.81573%0.731SS**  trans8.4125.7144.6-57.3161.8000117.8
107V28.9Very low29.8Very low133 Ų133126.9 Ų126.981%0.80673%0.728SS**  -161.4130.6125.5137.20000111.6
108S28.2Very low29.8Very low98 Ų98126.8 Ų126.869%0.68572%0.723SS**  trans60.7118.2155.1-70.20000124.6
109V29.3Very low30Very low123 Ų123127.7 Ų127.775%0.74572%0.72SS**  84.692.2120.8178.70000120
110K30.1Very low30.1Very low193 Ų193128.1 Ų128.184%0.83972%0.719SS**  81.6154.1110.9-157.7174.8-176.3179.80119.6
111A32.5Very low30.3Very low85 Ų85131.9 Ų131.970%0.70273%0.733SS**  trans67.3112-174.400000113.2
112S27.1Very low30.4Very low96 Ų96132.6 Ų132.667%0.67175%0.75SS**  cis70.2138.215.2-30.50000115.7
113Q33.2Very low30.4Very low168 Ų168134.3 Ų134.379%0.78575%0.754SS**  trans71126.8175.5-65.6147.4-8.500114.1I115Q113-I115 HydrophobicContact CG-CD1 4.23Å
114N23.4Very low30.4Very low156 Ų156131.9 Ų131.983%0.83475%0.746SS**  cis71.2165.231.7-156.821.4000113
115I32Very low30.5Very low108 Ų108134.8 Ų134.855%0.55475%0.748SS**  trans87.3102.5168.8-58.4165.7000115.2Q113Q113-I115 HydrophobicContact CG-CD1 4.23Å
116D30.3Very low31Very low144 Ų144134.3 Ų134.377%0.7775%0.75SS**  trans69.5156.9132.8-63.822.7000121.8
117S28.2Very low31.1Very low95 Ų95132.3 Ų132.366%0.66475%0.75SS**  cis-168.6176.4-23-96.50000110
118E30.4Very low31.2Very low167 Ų167131.6 Ų131.678%0.7875%0.751SS**  trans83.5126.1152.6-63.7-137.6141.300122.7
119N30.8Very low31.4Very low109 Ų109132.5 Ų132.558%0.58376%0.757SS**  trans81.9104132.6-79-48.5000123.4
120Q35.4Very low31.4Very low146 Ų146131.9 Ų131.968%0.68276%0.758SS**  99.4117.1123.2-74.1176.646.300122.6
121N31.6Very low31.3Very low150 Ų150131.1 Ų131.180%0.80276%0.762SS**  trans64.7132.6136-56.5-26.5000119.9
122G34.2Very low31.2Very low76 Ų76131 Ų13178%0.78476%0.762SS**  trans-170.8-37176.300000118.9
123Q31.2Very low31.4Very low180 Ų180134.9 Ų134.984%0.84177%0.769SS**  trans67.7148.5173.7-118.7-176.210.700119.4
124L32.9Very low31.2Very low138 Ų138133.7 Ų133.772%0.72377%0.768SS**  trans83.4121.2152.1-70.6167000122.9
125Q33.3Very low31.5Very low172 Ų172131 Ų13180%0.80476%0.757SS**  trans84.4138.3153.3-61.5-176.625.700120.9
126S41.1Very low31.5Very low125 Ų125132.4 Ų132.487%0.87477%0.766SS**  trans63119.3-177.670.70000116.6
127S28.8Very low31.5Very low116 Ų116131.8 Ų131.881%0.81176%0.763SS**  trans-156.5143.6-174.854.60000111.2
128S31.1Very low31.6Very low119 Ų119133.2 Ų133.283%0.83277%0.767SS**  cis-162.6168.8-13.742.40000109.6
129S31.6Very low31.8Very low117 Ų117130.8 Ų130.882%0.81876%0.764SS**  trans-82.5-175.7-167.452.70000115.9
130S29.3Very low31.7Very low110 Ų110134.6 Ų134.677%0.76978%0.776SS**SBendtrans-52.7145.3-174.4530000118.4
131L28.7Very low31.6Very low177 Ų177134 Ų13493%0.92778%0.782SS**  trans80.9146.7155.2-147.572.5000118.1
132A30.8Very low31.6Very low83 Ų83133.1 Ų133.169%0.68678%0.777SS**  trans75.588.816700000120.6
133Q31.7Very low31.5Very low177 Ų177134.7 Ų134.783%0.82777%0.771SS**  57.9138.1125.3-65.5178.9-1100123.4
134N27.9Very low31.7Very low142 Ų142133.2 Ų133.276%0.75977%0.769SS**  trans69.2141.5156-67.8-3.6000118.4
135T30.9Very low31.8Very low100 Ų100132.9 Ų132.961%0.61377%0.768SS**  cis-163.7148.7-9.411.90000110.2
136N31.7Very low31.8Very low137 Ų137131.3 Ų131.373%0.73376%0.764SS**  trans63.9160150.5-62.1-20.4000119.1
137N29.5Very low31.5Very low131 Ų131133.3 Ų133.370%0.70176%0.759SS**  cis-170.7148.4-45.7-120.6-21.6000108.8
138T31.2Very low31.7Very low125 Ų125131.9 Ų131.977%0.76775%0.749SS**  trans60.3158.6159.449.50000117.8
139T34.5Very low31.7Very low116 Ų116136 Ų13671%0.71275%0.752SS**  cis-155.1137.4-6.410.90000106.1
140K28.7Very low31.4Very low190 Ų190134.9 Ų134.983%0.82675%0.745SS**  7012768.5-135.4-170.9-171.5-166.30114.4
141V32.6Very low31.3Very low134 Ų134134.5 Ų134.581%0.81274%0.742SS**  trans151.2138.2166.2151.20000108.6
142D32.1Very low31.5Very low130 Ų130132.4 Ų132.470%0.69574%0.737SS**  cis-155.7164.2-30.2-104.6-27.9000113.8
143T32.8Very low31.4Very low109 Ų109135.7 Ų135.767%0.66974%0.743SS**  trans-5.3144166.661.80000123.3
144N34.6Very low31.4Very low149 Ų149132.4 Ų132.480%0.79774%0.74SS**  -167.4159.5106.4-101.8-40.6000116.4
145N33.9Very low31.4Very low131 Ų131129.8 Ų129.870%0.70175%0.746SS**  trans64.385.9170.4-73.95.3000121.3
146I34.8Very low31.3Very low139 Ų139136.7 Ų136.771%0.71376%0.761SS**  58.6120.6110.9-63.8163.8000116.8
147H35Very low31.3Very low167 Ų167135.3 Ų135.377%0.77376%0.762SS**  -154.513951-133.1-64.9000113.7
148S31.9Very low31.4Very low86 Ų86133.3 Ų133.360%0.60176%0.758SS**  trans29.7149.5144.659.20000123.7
149F31.9Very low31.4Very low205 Ų205136.3 Ų136.390%0.89977%0.767SS**  cis-169-176.5-22.2-116.8-62.3000108.2
150S25.5Very low31.1Very low94 Ų94134.7 Ų134.766%0.65776%0.761SS**  trans-86.8168.9-176.455.20000115.8
151S26Very low31.1Very low102 Ų102130.9 Ų130.971%0.71376%0.758SS**  trans90.2165.9154-52.10000118.9
152T33.6Very low30.8Very low134 Ų134129.2 Ų129.282%0.82275%0.752SS**  trans68.8125.2-164.269.60000113.2
153D28Very low30.6Very low151 Ų151130.9 Ų130.981%0.80776%0.756SS**  cis78.4143.621.7-153.79.1000115.6G155D153-G155 PolarHBondContact O-N 3.12Å
154S32.2Very low30.5Very low109 Ų109131.7 Ų131.776%0.76276%0.761SS**  trans62.731.7168.668.20000119.4R156S154-R156 PolarHBondContact O-N 3.44Å
155G27.3Very low30.2Very low86 Ų86129 Ų12989%0.88775%0.753SS**  trans-96.460.7173.300000115D153D153-G155 PolarHBondContact O-N 3.12Å
156R28.8Very low30.2Very low246 Ų246130.2 Ų130.293%0.92876%0.76SS**  trans-142.857-170.2-147.9178.9-163.7-178.36.5117.1S154S154-R156 PolarHBondContact O-N 3.44Å
157S31.7Very low30.1Very low108 Ų108126.8 Ų126.876%0.75576%0.76SS**  trans-145156.2168.3560000112.9
158S32Very low29.9Very low89 Ų89128.2 Ų128.262%0.62277%0.766SS**  trans51.888.6161.3530000118.6S160S158-S160 VanDerWaalsContact CB-OG 3.3Å; S158-S160 WeakPolarHBondContact CB-OG 3.49Å
159I30.6Very low29.7Very low187 Ų187131.7 Ų131.796%0.95977%0.773SS**  -8994.5128.5-62.5177.7000105.7
160S29.4Very low29.8Very low82 Ų82128.8 Ų128.857%0.57377%0.766SS**  trans-161114.5179.155.20000113.1S158S158-S160 VanDerWaalsContact CB-OG 3.3Å; S158-S160 WeakPolarHBondContact CB-OG 3.49Å
161S28.2Very low30Very low111 Ų111129 Ų12978%0.77677%0.767SS**  trans65.5145.5162.359.30000120.4
162S27.4Very low30.1Very low98 Ų98132.4 Ų132.469%0.68577%0.771SS**  trans78.9142.5159.2-55.90000116.5
163Q27.3Very low29.8Very low165 Ų165131.5 Ų131.577%0.77176%0.762SS**  cis-164.4-179.51.6-130.6168.2-700113.3
164T29.8Very low30Very low127 Ų127133.9 Ų133.978%0.77976%0.76SS**  trans67.7145.5154.546.70000119.7
165S28.9Very low29.8Very low91 Ų91134.6 Ų134.664%0.63675%0.746SS**  cis-166.3-173.3-11.752.20000111.9
166N33.8Very low29.9Very low157 Ų157133.3 Ų133.384%0.8472%0.719SS**  trans91.6119.7168.9-45.8-5.5000114
167G33.8Very low30.1Very low68 Ų68125 Ų12570%0.70169%0.689SS**  cis-175.5167.3-7.100000111.7
168E30Very low30.1Very low196 Ų196123 Ų12392%0.91667%0.673SS**  trans65.9141.3174.1-61.1175.5164.700116.2
169E28.6Very low30.1Very low160 Ų160124.6 Ų124.675%0.74867%0.669SS**  cis-156165.7-9.2-133.8-157.1147.400112.6
170I33.1Very low30.3Very low144 Ų144122 Ų12274%0.73866%0.661SS**  trans70.5164.7156.7-67.7163.6000118.1
171S30.3Very low30.2Very low98 Ų98124.7 Ų124.769%0.68567%0.67SS**  trans-138.3151.1-144.358.40000116.5
172E27.8Very low30.6Very low173 Ų173124.4 Ų124.481%0.80866%0.663SS**  trans67.8143.3148.1-77.5-162.6-170.900123.7
173N27.9Very low30.8Very low116 Ų116126.9 Ų126.962%0.6267%0.668SS**  trans80.7114.4147.8-89.3-61.2000122.6
174R30.3Very low31Very low201 Ų201125.8 Ų125.876%0.75867%0.665SS**  trans76.2138.3146.9-63.5-177.1-171.5172.32.9121.1
175Y29.2Very low31.1Very low124 Ų124125.3 Ų125.349%0.48666%0.661SS.*  trans43.1133.8144.5-83.3-94000120.9S194 H195Y175-S194 WeakPolarHBondContact CD1-OG 3.27Å; Y175-S194 WeakPolarHBondContact CE1-O 3.36Å; Y175-S194 WeakPolarHBondContact CE1-OG 3.33Å; Y175-S194 VanDerWaalsContact CG-OG 3.23Å; Y175-S194 PolarHBondContact OH-O 2.64Å; Y175-H195 AromaticContact CD2-CD2 3.36Å; Y175-H195 WeakPolarHBondContact CD2-CD2 3.3Å; Y175-H195 AromaticContact CD2-NE2 3.77Å; Y175-H195 HydrophobicContact CE2-CB 3.91Å; Y175-H195 AromaticContact CE2-CD2 3.18Å; Y175-H195 WeakPolarHBondContact CE2-CD2 3.22Å; Y175-H195 AromaticContact CE2-CG 3.61Å; Y175-H195 AromaticContact CE2-NE2 3.89Å; Y175-H195 AromaticContact CZ-CD2 3.82Å
176D28.6Very low31.2Very low59 Ų59126.3 Ų126.332%0.31666%0.663SS.*  trans88.5102.8132.9-82.3-3.2000121.7R191 D193D176-R191 PolarHBondContact O-NH2 2.78Å; D176-D193 VanDerWaalsContact CA-OD2 3.29Å; D176-D193 WeakPolarHBondContact CA-OD2 3.36Å; D176-D193 PolarHBondContact N-OD2 2.95Å; D176-D193 VanDerWaalsContact OD1-C 3.25Å; D176-D193 WeakPolarHBondContact OD1-CB 3.18Å
177K34.4Very low31.1Very low70 Ų70127.1 Ų127.130%0.30466%0.66SS.*  109.5106.9108.3-80.9168.2161.377.90115.8R191 S192 D193K177-R191 HydrophobicContact CB-CB 3.74Å; K177-R191 HydrophobicContact CB-CG 3.74Å; K177-R191 VanDerWaalsContact CB-CZ 3.4Å; K177-R191 HydrophobicContact CD-CB 3.86Å; K177-R191 HydrophobicContact CG-CB 3.8Å; K177-R191 HydrophobicContact CG-CG 4.38Å; K177-R191 PolarHBondContact O-NE 3.5Å; K177-R191 PolarHBondContact O-NH2 3.04Å; K177-S192 WeakPolarHBondContact CE-O 3.09Å; K177-S192 VanDerWaalsContact CG-O 3.26Å; K177-S192 WeakPolarHBondContact CG-O 3.29Å; K177-S192 PolarHBondContact NZ-O 2.86Å; K177-D193 PolarHBondContact N-OD2 3.41Å
178T30.8Very low31.2Very low67 Ų67130.3 Ų130.341%0.41167%0.665SS.*  trans-9.4159.616257.60000122.6R191 S192T178-R191 VanDerWaalsContact O-CG 3.27Å; T178-R191 WeakPolarHBondContact O-CG 3.12Å; T178-R191 PolarHBondContact O-NE 3.48Å; T178-R191 WeakPolarHBondContact OG1-CA 3.43Å; T178-R191 VanDerWaalsContact OG1-CG 3.31Å; T178-R191 WeakPolarHBondContact OG1-CG 3.01Å; T178-R191 PolarHBondContact OG1-N 2.89Å; T178-S192 VanDerWaalsContact CG2-OG 3.3Å; T178-S192 WeakPolarHBondContact CG2-OG 3.31Å; T178-S192 PolarHBondContact OG1-OG 2.85Å
179K31Very low31.3Very low122 Ų122125.7 Ų125.753%0.5365%0.647SS.*  trans11493.8151.6-69.3-161.4172.4-167.70116.6D189 G190K179-D189 PolarHBondContact NZ-O 3.47Å; K179-G190 VanDerWaalsContact CE-O 3.3Å; K179-G190 WeakPolarHBondContact CE-O 3.34Å
180V35.2Very low31.6Very low133 Ų133120.1 Ų120.181%0.80663%0.632SS**  26.7113.4112.7-176.30000116.4
181N28.9Very low31.6Very low139 Ų139119.2 Ų119.274%0.74362%0.62SS**  trans-156.2171.2142.2-85.6-54.3000105.4
182T35.1Very low31.6Very low105 Ų105117.1 Ų117.164%0.64461%0.605SS**  cis-150.5155.616.8-18.90000105.8
183L32.8Very low31.8Very low149 Ų149113.4 Ų113.478%0.7859%0.591SS**SBendcis-134.412543.1-76.4144.2000113.8
184M31.9Very low31.9Very low143 Ų143110.7 Ų110.770%0.70458%0.581SS**SBendtrans65.9132.5138.3-54.7-61.4-157.600118.1
185V30.8Very low32Very low117 Ų117106.7 Ų106.771%0.70957%0.571SS**  cis-139.2111.422.8176.80000111.7
186T31.9Very low32.1Very low111 Ų111109.2 Ų109.268%0.68158%0.584SS**  trans62.9148.1156.466.40000120
187K31.7Very low32.1Very low175 Ų175113 Ų11376%0.76160%0.603SS**  cis-160.5146.1-7.3-113.5163.9-174.7176.50109.3
188T34.2Very low31.9Very low134 Ų134117.4 Ų117.482%0.82263%0.631SS**  trans39.6126.4150.757.90000120.9
189D32.3Very low32Very low99 Ų99117.6 Ų117.653%0.52965%0.645SS.*  cis-152.3-150.1-12.6-164-147.1000107.4K179 R191K179-D189 PolarHBondContact NZ-O 3.47Å; D189-R191 WeakPolarHBondContact OD1-CD 3.45Å
190G36.1Very low31.9Very low43 Ų43117 Ų11744%0.44366%0.657SS.*  cis-145.9-178.7-13.900000110.5K179K179-G190 VanDerWaalsContact CE-O 3.3Å; K179-G190 WeakPolarHBondContact CE-O 3.34Å
191R31.7Very low31.8Very low125 Ų125116.2 Ų116.247%0.47266%0.657SS.*  cis99.3106.215.4-65.3-169.1115.8-129.7-11.2114.9D176 K177 T178 D189D176-R191 PolarHBondContact O-NH2 2.78Å; K177-R191 HydrophobicContact CB-CB 3.74Å; K177-R191 HydrophobicContact CB-CG 3.74Å; K177-R191 VanDerWaalsContact CB-CZ 3.4Å; K177-R191 HydrophobicContact CD-CB 3.86Å; K177-R191 HydrophobicContact CG-CB 3.8Å; K177-R191 HydrophobicContact CG-CG 4.38Å; K177-R191 PolarHBondContact O-NE 3.5Å; K177-R191 PolarHBondContact O-NH2 3.04Å; T178-R191 VanDerWaalsContact O-CG 3.27Å; T178-R191 WeakPolarHBondContact O-CG 3.12Å; T178-R191 PolarHBondContact O-NE 3.48Å; T178-R191 WeakPolarHBondContact OG1-CA 3.43Å; T178-R191 VanDerWaalsContact OG1-CG 3.31Å; T178-R191 WeakPolarHBondContact OG1-CG 3.01Å; T178-R191 PolarHBondContact OG1-N 2.89Å; D189-R191 WeakPolarHBondContact OD1-CD 3.45Å
192S30.3Very low31.7Very low54 Ų54116.9 Ų116.938%0.37866%0.661SS.*  cis134.4176.6-10.1-59.30000115.8K177 T178K177-S192 WeakPolarHBondContact CE-O 3.09Å; K177-S192 VanDerWaalsContact CG-O 3.26Å; K177-S192 WeakPolarHBondContact CG-O 3.29Å; K177-S192 PolarHBondContact NZ-O 2.86Å; T178-S192 VanDerWaalsContact CG2-OG 3.3Å; T178-S192 WeakPolarHBondContact CG2-OG 3.31Å; T178-S192 PolarHBondContact OG1-OG 2.85Å
193D32.1Very low31.7Very low96 Ų96116.7 Ų116.751%0.51366%0.664SS.*  trans36.1173.7173.2-12.2-34.1000123.5D176 K177D176-D193 VanDerWaalsContact CA-OD2 3.29Å; D176-D193 WeakPolarHBondContact CA-OD2 3.36Å; D176-D193 PolarHBondContact N-OD2 2.95Å; D176-D193 VanDerWaalsContact OD1-C 3.25Å; D176-D193 WeakPolarHBondContact OD1-CB 3.18Å; K177-D193 PolarHBondContact N-OD2 3.41Å
194S29.8Very low31.7Very low58 Ų58115.9 Ų115.941%0.40666%0.66SS.*  cis-158.9-168.3-13.156.10000113.1Y175Y175-S194 WeakPolarHBondContact CD1-OG 3.27Å; Y175-S194 WeakPolarHBondContact CE1-O 3.36Å; Y175-S194 WeakPolarHBondContact CE1-OG 3.33Å; Y175-S194 VanDerWaalsContact CG-OG 3.23Å; Y175-S194 PolarHBondContact OH-O 2.64Å
195H33.6Very low31.7Very low117 Ų117115.3 Ų115.354%0.54266%0.66SS.*  trans87.887.9168.6-84.4-103.8000123.4Y175Y175-H195 AromaticContact CD2-CD2 3.36Å; Y175-H195 WeakPolarHBondContact CD2-CD2 3.3Å; Y175-H195 AromaticContact CD2-NE2 3.77Å; Y175-H195 HydrophobicContact CE2-CB 3.91Å; Y175-H195 AromaticContact CE2-CD2 3.18Å; Y175-H195 WeakPolarHBondContact CE2-CD2 3.22Å; Y175-H195 AromaticContact CE2-CG 3.61Å; Y175-H195 AromaticContact CE2-NE2 3.89Å; Y175-H195 AromaticContact CZ-CD2 3.82Å
196K31.9Very low31.5Very low177 Ų177116 Ų11677%0.7766%0.66SS**  35.5130.4119.7-81.5-173.5162.8-173.40124.2
197L27.6Very low31.4Very low138 Ų138117.3 Ų117.372%0.72366%0.663SS**  trans65.9106.3130.6-62.1173.1000121.4
198D30.4Very low31.1Very low164 Ų164113 Ų11388%0.87766%0.655SS**  173.9152.6107.7-86.2-18.7000108.7
199G32.8Very low30.8Very low70 Ų70112.9 Ų112.972%0.72265%0.649SS**  cis-165.5-175.6-3.100000111.3
200S28.7Very low30.7Very low109 Ų109114.1 Ų114.176%0.76266%0.655SS**  trans-41138.6-177.4-177.90000117.8
201S33.5Very low30.3Very low117 Ų117116.3 Ų116.382%0.81866%0.657SS**  -171.2141.7111.8-80.70000115.5
202N27.6Very low30Very low154 Ų154115.1 Ų115.182%0.82466%0.66SS**  trans-67.2156.3179.4-61.2-49.6000114.5
203S34.2Very low29.8Very low100 Ų100117.3 Ų117.370%0.69968%0.675SS**  -175.8120.6114.1179.70000113.6
204N32.1Very low29.6Very low132 Ų132119.6 Ų119.671%0.70669%0.686SS**  23.4143.6124.9-48.9-25.2000119.6
205N31.6Very low29.7Very low132 Ų132124.7 Ų124.771%0.70671%0.709SS**  cis-163.5178.5-3.8-125.1-33000112.8
206N27.4Very low29.5Very low131 Ų131121.9 Ų121.970%0.70171%0.711SS**  trans-53.5159.1-179.2-56.7-59.9000118.2
207N29.2Very low29.2Very low139 Ų139121.7 Ų121.774%0.74372%0.718SS**  trans75.2100.5146.8-65.9-4.7000121.5
208S27.1Very low29.3Very low85 Ų85121 Ų12159%0.59472%0.721SS**  28.3130.2106.472.10000118.2
209N28Very low29.1Very low131 Ų131118.1 Ų118.170%0.70171%0.714SS**  cis-153.2161.732.1-75.1-75.1000113.1
210N29.7Very low28.9Very low124 Ų124121.3 Ų121.366%0.66372%0.719SS**  trans8.4139.6150.7-51-6.1000120Q1514N210-Q1514 PolarHBondContact O-NE2 2.75Å
211D26.4Very low28.6Very low89 Ų89120.4 Ų120.448%0.47671%0.713SS.*  -164.1135.198.6-109.120.7000114.4Q1514D211-Q1514 PolarHBondContact OD1-NE2 3.02Å; D211-Q1514 WeakPolarHBondContact OD2-CG 3.26Å
212N27Very low28.6Very low100 Ų100120.4 Ų120.454%0.53571%0.713SS.*  trans41.8142140-59.2-40.2000124.6
213S26.2Very low28.6Very low100 Ų100119.9 Ų119.970%0.69971%0.706SS**  trans91.8123.1145.3-73.70000122.2
214I26.8Very low28.4Very low145 Ų145121.4 Ų121.474%0.74471%0.705SS**  trans63.1110.8134.8-56.6166.1000117.1
215D31.6Very low28.1Very low164 Ų164120.3 Ų120.388%0.87770%0.699SS**  -156.3173.7100.3-130.2-41.7000113.4
216G29.2Very low28.2Very low58 Ų58120.8 Ų120.860%0.59870%0.701SS**  trans-85168.1-163.600000118.1
217L25.6Very low28.3Very low174 Ų174123.9 Ų123.991%0.91170%0.704SS**  trans-62.3142163.3-73.9159.5000111.2
218P31.5Very low28.3Very low122 Ų122121.9 Ų121.979%0.79270%0.701SS**  trans-104.611513532.2-27.7000109.3
219S24.9Very low28.3Very low104 Ų104123.8 Ų123.873%0.72770%0.704SS**  trans-76.1139.9154.447.80000108.8
220V28.7Very low28.4Very low137 Ų137122.9 Ų122.983%0.8370%0.703SS**  -173.4129.4117.4154.30000109.3
221S23.4Very low28.4Very low91 Ų91121.8 Ų121.864%0.63670%0.701SS**  trans-52.1141.5176.6-35.70000116.4
222S31.6Very low28.6Very low117 Ų117125.3 Ų125.382%0.81872%0.719SS**  -156.6101.6121.4-17.20000107
223E29.5Very low28.5Very low142 Ų142128.2 Ų128.266%0.66473%0.733SS**  76.7111.870.2-74.1-160.6127.900114.9
224L29Very low28.9Very low132 Ų132128.5 Ų128.569%0.69173%0.732SS**  trans66.896141.1-78.884.4000121
225D25.5Very low28.9Very low109 Ų109132.8 Ų132.858%0.58374%0.739SS**  81.9126.998-68.74.1000123.5
226I33.4Very low28.9Very low142 Ų142129.9 Ų129.973%0.72873%0.732SS**  41111.7119.2-44.9164.3000117.4
227Y29.1Very low28.8Very low197 Ų197134.6 Ų134.677%0.77374%0.743SS**  trans-141.1154.3155.2-84.4-75.8000110.2
228S30.2Very low29.1Very low96 Ų96132.8 Ų132.867%0.67174%0.739SS**  cis-153.9149.710.4170000112.7
229D27.1Very low28.9Very low125 Ų125133.6 Ų133.667%0.66874%0.737SS**  43.4163.3125.4-46.7-48.8000120.9
230V29Very low29.1Very low113 Ų113133.7 Ų133.769%0.68573%0.733SS**  cis-148.8152.520.7-134.50000106.4
231T30.3Very low28.8Very low101 Ų101134.4 Ų134.462%0.6273%0.732SS**  -170.8146.156.417.30000112.9
232L30.8Very low29.1Very low163 Ų163139.6 Ų139.685%0.85374%0.739SS**  trans71101.3144.1-61.9167.4000121.2
233I24.7Very low28.8Very low160 Ų160139.5 Ų139.582%0.82173%0.733SS**  trans-72167.9148.1-13.2170.2000108.5
234P35.2Very low28.8Very low106 Ų106139.2 Ų139.269%0.68874%0.735SS**  cis-147.1165.418.442.4-22000119.8
235R25.7Very low28.8Very low236 Ų236142 Ų14289%0.89174%0.742SS**  trans152.6170.3133.2-87175.9166.5161.8-3.7113.8
236S33.4Very low28.9Very low103 Ų103142.9 Ų142.972%0.7275%0.753SS**  trans65.786.4170.962.50000120.3
237N26.7Very low28.5Very low156 Ų156139.3 Ų139.383%0.83475%0.751SS**  67.7156.4123.4-60.84.5000122.1
238V31.9Very low28.5Very low137 Ų137140.5 Ų140.583%0.8376%0.761SS**  trans72.3104176.8-173.70000113.8
239N26.5Very low28.4Very low138 Ų138145.7 Ų145.774%0.73877%0.771SS**  cis60.3127.95.5-123.613.5000115.1
240V29.4Very low28.5Very low106 Ų106144.8 Ų144.864%0.64278%0.775SS**  cis-153.6139.941.6168.60000109.1Y242V240-Y242 VanDerWaalsContact CG1-N 3.32Å
241D22.6Very low28.7Very low153 Ų153144.8 Ų144.882%0.81878%0.775SS**  trans-109110.4145.1-172.412.4000107.4
242Y28.7Very low28.7Very low200 Ų200148.8 Ų148.878%0.78478%0.784SS**  trans-174.9141171.9-101.3-61.8000112.1V240V240-Y242 VanDerWaalsContact CG1-N 3.32Å
243T26.5Very low28.6Very low114 Ų114152.2 Ų152.270%0.69979%0.786SS**  trans-34.1117.4168.751.60000118.3
244I28.2Very low29Very low137 Ų137149.9 Ų149.970%0.70378%0.778SS**  41.5128.5112.4-64.7175.2000119.1
245K28.8Very low28.8Very low190 Ų190152.3 Ų152.383%0.82679%0.786SS**  trans85.3160168.2-67.4149.3-168.4167.10116.4
246P28.4Very low29.2Very low127 Ų127144.6 Ų144.683%0.82578%0.78SS**  cis-111.2164.2-3.637.8-26.3000114.4
247G26.3Very low29.2Very low67 Ų67151.5 Ų151.569%0.69179%0.79SS**PPolyproline II helixtrans-91.9170.7-176.400000115.5K249G247-K249 PolarHBondContact O-N 3.18Å
248K27.9Very low29.4Very low223 Ų223153.6 Ų153.697%0.9779%0.792SS**PPolyproline II helixtrans-61.2117.5168.7-73.4-175.2176.2-178.70110.2
249K28.1Very low29.7Very low204 Ų204152.2 Ų152.289%0.88779%0.786SS**PPolyproline II helixtrans-86.6131.6166.6-63.9174.7-179.9174.20109.3G247G247-K249 PolarHBondContact O-N 3.18Å
250S30Very low29.8Very low107 Ų107152 Ų15275%0.74879%0.789SS**  -164.5142.9129.1-141.20000114.6
251T33.2Very low29.8Very low113 Ų113156.9 Ų156.969%0.69380%0.802SS**  trans53.4106.9154.849.40000123.1
252K30.5Very low30.2Very low184 Ų184152.7 Ų152.780%0.880%0.795SS**  82.6112.1128.3-67.5178.6177.6174.70121.8
253R27.4Very low30.2Very low236 Ų236151.1 Ų151.189%0.89180%0.798SS**  trans71.2149.5130.4-77.6-171.7172.1-169.3-3.7118.4
254V33.3Very low30.3Very low110 Ų110155 Ų15567%0.66781%0.805SS**  cis-163.4150.3-15.1102.10000111.2
255N31Very low30.3Very low157 Ų157153.9 Ų153.984%0.8481%0.805SS**  trans58.4157164.4-62.9-10000120.4
256G34.1Very low30.3Very low75 Ų75150.5 Ų150.577%0.77380%0.801SS**  trans-173.3-40.317800000122.6
257R34.4Very low30.3Very low248 Ų248150 Ų15094%0.93680%0.796SS**  trans61.7104.8177.3-61.4-179.4174.7177.8-1.9120.1
258K30Very low30.3Very low200 Ų200157.6 Ų157.687%0.8780%0.803SS**  11164.7116.8-73.7-174.9179.7-177.60120.6
259P38.8Very low30.4Very low108 Ų108154.4 Ų154.470%0.70179%0.791SS**  cis-149.5160.9-27.540.2-20.6000119
260V27.3Very low30.3Very low134 Ų134150.9 Ų150.981%0.81278%0.783SS**  trans20.9130.1132.5-167.80000123.1
261K31.3Very low30.2Very low207 Ų207152.5 Ų152.590%0.979%0.787SS**  168.6159.3129.7-93.4171.4-175.1-177.10110.7
262G30Very low30Very low66 Ų66150.3 Ų150.368%0.6879%0.788SS**  cis156.6101.6-10.900000115.3
263I28.1Very low30Very low166 Ų166152.6 Ų152.685%0.85179%0.791SS**  trans31127150.8-51.4165.5000120
264K28.2Very low30Very low195 Ų195147.1 Ų147.185%0.84878%0.784SS**  -173.7172.8129.2-111.6-178-177.2-173.80117.8
265T29Very low29.8Very low114 Ų114150 Ų15070%0.69979%0.787SS**  trans-152.8162-168.645.30000108.2
266T30.1Very low29.7Very low119 Ų119149.1 Ų149.173%0.7378%0.778SS**  cis-157.8157.4-1.13.80000111.5
267T28.3Very low29.4Very low118 Ų118151.6 Ų151.672%0.72477%0.774SS**  trans38.6111.3146.4-33.60000121.4
268R26Very low29.1Very low226 Ų226146.1 Ų146.185%0.85376%0.759SS**  178.1149.9107.5-95.1-172.5176.9-178.50.3114.1
269H29.1Very low29.1Very low155 Ų155141.7 Ų141.772%0.71874%0.744SS**  trans-2.4153.7149.8-63.9-67.2000120.6
270N26.1Very low28.8Very low131 Ų131139.5 Ų139.570%0.70172%0.724SS**  cis-166.9164.65.7-1232.5000112.7
271V28.1Very low28.9Very low140 Ų140140.2 Ų140.285%0.84872%0.722SS**  trans65.7133.8159.4175.10000117.3
272G28.7Very low28.7Very low68 Ų68136.5 Ų136.570%0.70171%0.708SS**  cis163.7-171.8-8.800000114.5
273R30.2Very low28.6Very low232 Ų232139.2 Ų139.288%0.87571%0.707SS**  trans73106.7166.3-82-175.9175172.2-0.9120.7
274T27.2Very low28.6Very low120 Ų120138.6 Ų138.674%0.73670%0.7SS**  69.1150.112455.90000120.9
275K29.8Very low28.5Very low170 Ų170135 Ų13574%0.73969%0.69SS**  cis-159.715110.6-131176.5179.2-163.50112
276Q28.5Very low28.4Very low139 Ų139136.2 Ų136.265%0.6569%0.691SS**  trans46.2128.7146.3-71.2171.6-79.700123.7
277N28.1Very low28.5Very low127 Ų127135 Ų13568%0.67969%0.687SS**  53.1141.6124.7-56.342000120.6
278E28.7Very low28.8Very low134 Ų134136.9 Ų136.963%0.62669%0.688SS**  cis-153.1-134-1.5-130168.9-77.100111.4
279L30.1Very low28.9Very low107 Ų107130.5 Ų130.556%0.5668%0.677SS**  cis-148.9-143-5.5-141.7-178.4000108.4N559L279-N559 CarbonylContact O-C 3.51Å; L279-N559 VanDerWaalsContact O-CB 3.3Å; L279-N559 WeakPolarHBondContact O-CB 3.49Å
280K31.8Very low28.9Very low61 Ų61131 Ų13127%0.26568%0.68SS.*  trans-148.3167.5168.9-12.788.1-168.8-150.50113.6N559 N560 N561 L562K280-N559 WeakPolarHBondContact CA-O 3.45Å; K280-N559 WeakPolarHBondContact CB-O 3.4Å; K280-N560 WeakPolarHBondContact CE-O 3.34Å; K280-N560 VanDerWaalsContact CG-N 3.28Å; K280-N560 WeakPolarHBondContact CG-O 3.23Å; K280-N561 WeakPolarHBondContact CD-O 3.31Å; K280-N561 WeakPolarHBondContact CE-O 3.45Å; K280-N561 PolarHBondContact NZ-O 3.34Å; K280-L562 VanDerWaalsContact NZ-CG 3.34Å
281L29.9Very low29.1Very low150 Ų150132.6 Ų132.679%0.78569%0.688SS**  trans-162.4134.3130.5-86.9139.8000106
282H26.6Very low29.2Very low129 Ų129129.3 Ų129.360%0.59768%0.681SS**  61.5142.170.7-74.7-69.1000114.3
283D27.3Very low29.3Very low122 Ų122132.3 Ų132.365%0.65269%0.687SS**  cis-173.3179-23.8-137.6-36000110.1
284E28.1Very low29.3Very low154 Ų154126 Ų12672%0.7268%0.678SS**  trans63.2167.3145-76.5-163.1135.700119.7
285L27.2Very low29.3Very low120 Ų120124.8 Ų124.863%0.62868%0.675SS**  cis-159178.7-8-125.9179.2000112.6
286L26.7Very low29.3Very low139 Ų139122 Ų12273%0.72868%0.677SS**  trans66.7161.7154-71.5164.9000116.8
287S32.5Very low29.2Very low93 Ų93120.1 Ų120.165%0.6568%0.679SS**  cis-140171.815.644.80000110.4
288E33.4Very low29.1Very low157 Ų157118.2 Ų118.273%0.73468%0.675SS**  cis-170-178-4.5-105.4156.2-132.800105.1
289C29.3Very low29.1Very low93 Ų93122.6 Ų122.663%0.62869%0.687SS**  cis-165.5164.8-1.1-116.60000106.4
290E27.8Very low29.1Very low166 Ų166122.1 Ų122.178%0.77669%0.689SS**  cis-170-170.4-17.3-134.7-170.2157.100111.1
291L31.6Very low29.1Very low164 Ų164124 Ų12486%0.85970%0.702SS**  trans97.3117.1159.4-54.9179.5000118.1
292G29.1Very low29.1Very low70 Ų70119.1 Ų119.172%0.72268%0.683SS**  trans152.854.8166.300000118.7
293T31.7Very low29.2Very low132 Ų132116.2 Ų116.281%0.8168%0.681SS**  trans31.2102.7148.6540000118.9
294S29.1Very low29.3Very low98 Ų98115.1 Ų115.169%0.68568%0.683SS**  96132.86664.80000115.4
295S29Very low29.3Very low96 Ų96116.1 Ų116.167%0.67169%0.685SS**  trans44.6119.2151.252.70000119.9
296S28Very low29.5Very low112 Ų112115.1 Ų115.178%0.78368%0.684SS**  65.2149.276.295.60000114.2
297S27.2Very low29.5Very low99 Ų99115 Ų11569%0.69268%0.684SS**  cis-162.5-17614.865.20000113.9
298S26.8Very low29.4Very low86 Ų86120.1 Ų120.160%0.60169%0.689SS**  trans65115.7147.966.90000122.7
299Y28.6Very low29.1Very low226 Ų226119.9 Ų119.989%0.88669%0.688SS**  -150.478.1120.5-101.1-72.9000111.7
300T29.6Very low29.1Very low98 Ų98123.5 Ų123.560%0.60170%0.695SS**  45.6150128.659.40000125.1
301L32.2Very low29.2Very low100 Ų100123.3 Ų123.352%0.52469%0.692SS.*  trans90.842.2144.6-67.7153.1000123.3K719 V720L301-K719 HydrophobicContact CB-CD 3.97Å; L301-K719 HydrophobicContact CD2-CB 3.92Å; L301-K719 HydrophobicContact CD2-CD 3.49Å; L301-K719 VanDerWaalsContact CD2-CD 3.49Å; L301-K719 HydrophobicContact CD2-CG 4.3Å; L301-K719 HydrophobicContact CG-CD 4.34Å; L301-K719 WeakPolarHBondContact O-CD 3.3Å; L301-K719 WeakPolarHBondContact O-CE 3.3Å; L301-K719 PolarHBondContact O-NZ 2.66Å; L301-V720 VanDerWaalsContact CA-CG2 3.48Å; L301-V720 HydrophobicContact CB-CG2 4.34Å; L301-V720 HydrophobicContact CD2-CG2 3.88Å; L301-V720 HydrophobicContact CG-CG2 4.02Å
302A29.7Very low29Very low47 Ų47121.9 Ų121.939%0.38868%0.684SS.*  41.7140.7121.500000126.9K719 V720A302-K719 HydrophobicContact CB-CB 4.08Å; A302-K719 HydrophobicContact CB-CG 4.29Å; A302-K719 WeakPolarHBondContact O-CD 3.26Å; A302-K719 WeakPolarHBondContact O-CE 3.33Å; A302-K719 WeakPolarHBondContact O-CG 3.48Å; A302-V720 HydrophobicContact CB-CB 4.32Å; A302-V720 HydrophobicContact CB-CG2 3.49Å; A302-V720 VanDerWaalsContact CB-CG2 3.49Å
303A29.5Very low28.9Very low69 Ų69124.6 Ų124.657%0.5768%0.678SS**  60.4134.412100000126.6
304S28.1Very low28.8Very low98 Ų98125.2 Ų125.269%0.68567%0.67SS**  trans67.2146.6148.5-84.90000119.4
305K29.2Very low29Very low176 Ų176128.5 Ų128.577%0.76568%0.678SS**  cis-163.8-172.2-13.3-149.2172.8-175-1800108.1
306V30.6Very low29Very low99 Ų99131.9 Ų131.960%0.668%0.677SS**  trans66.8106.5164.4-1740000119.7E716V306-E716 WeakPolarHBondContact CG2-OE1 3.33Å
307N26.1Very low29.5Very low137 Ų137131.9 Ų131.973%0.73368%0.675SS**  45.4148.5125.5-144.24.8000124.7
308R31.4Very low29.6Very low200 Ų200134 Ų13476%0.75567%0.673SS**  trans70.198.8163.1-78.2-179.3178.1153.32.3120.9
309Q27.2Very low29.7Very low151 Ų151134.8 Ų134.871%0.70668%0.675SS**  54.1126119.7-75178.8-48.400121.3
310H28.9Very low29.8Very low169 Ų169132.9 Ų132.978%0.78267%0.671SS**  trans69.7148.5148.5-72.7-49.7000116.6
311K30.9Very low29.6Very low162 Ų162136.9 Ų136.970%0.70468%0.68SS**  cis-174.1158.5-4147.6175.2172.5-171.10108.6
312L26.8Very low29.6Very low135 Ų135137.6 Ų137.671%0.70769%0.691SS**  trans73.9154.5177.7-58.3147.9000113.7
313E27.5Very low29.4Very low126 Ų126144.5 Ų144.559%0.58971%0.712SS**  cis-148.4168.40.5-135.9172.3-157.900114.4
314K29.2Very low29.2Very low145 Ų145146.8 Ų146.863%0.6372%0.724SS**  trans24.2137154.3-70.5151.7-160159.70118.7
315I33.8Very low29.6Very low167 Ų167148.6 Ų148.686%0.85673%0.73SS**  -139.3159.364-81160.2000113.3
316Y28.6Very low29.5Very low167 Ų167146.3 Ų146.366%0.65573%0.727SS**  trans-77.4-179.1-179.7-96.8-131.2000113.5Q318Y316-Q318 HydrophobicContact CD1-CG 3.96Å; Y316-Q318 HydrophobicContact CE1-CG 3.9Å
317P37.4Very low29.5Very low113 Ų113145.4 Ų145.473%0.73472%0.719SS**  cis-109.71611.87.518.4000113.4
318Q30Very low29.8Very low143 Ų143147.2 Ų147.267%0.66872%0.723SS**  52.813676.8-69.2-168-4.100114.7Y316Y316-Q318 HydrophobicContact CD1-CG 3.96Å; Y316-Q318 HydrophobicContact CE1-CG 3.9Å
319T28.4Very low29.8Very low102 Ų102143.3 Ų143.363%0.62673%0.726SS**  cis-142.5-169.49.1-4.80000109.2
320F30.4Very low29.9Very low187 Ų187140.5 Ų140.582%0.8272%0.723SS**  cis-146-146.110.5-133.2-45.9000112.4
321K26.8Very low29.8Very low181 Ų181141.7 Ų141.779%0.78773%0.726SS**  trans-160.4-167.6-169.2-52.5178.4-175.8172.90108.6
322P31.6Very low29.6Very low115 Ų115141.2 Ų141.275%0.74773%0.726SS**  cis-112.9175.8-36.614.39.9000110.2
323K26.2Very low29.4Very low193 Ų193140.6 Ų140.684%0.83972%0.724SS**  cis91.9104.524.1-80.9-159.9175-167.70118.5
324S24.2Very low29.4Very low117 Ų117140.2 Ų140.282%0.81873%0.734SS**  trans66.6149139.453.50000122.3
325V36.1Very low29.3Very low135 Ų135137.9 Ų137.982%0.81874%0.736SS**  trans-117.8157.9-179.7174.60000110.1
326N28Very low29Very low129 Ų129137.5 Ų137.569%0.6973%0.734SS**  trans-151.2157.3157.3-137.10.8000113S595N326-S595 WeakPolarHBondContact OD1-CB 3.45Å
327N30.7Very low28.9Very low80 Ų80136.8 Ų136.843%0.42874%0.742SS.*  trans-91.4170.7-179-74-35000111.7S595N327-S595 PolarHBondContact ND2-OG 3.26Å
328Q32.4Very low28.7Very low175 Ų175135.7 Ų135.782%0.81874%0.742SS**  cis-165.7156.6-10.2-117.5175.31.200108.6
329S31.7Very low28.7Very low118 Ų118135.3 Ų135.383%0.82574%0.744SS**  trans-165.5126.7156.456.90000113.8
330S28.7Very low28.9Very low92 Ų92135.8 Ų135.864%0.64374%0.743SS**  trans-67.9160.2160.4450000111.8
331F26.7Very low29Very low194 Ų194129.5 Ų129.585%0.85172%0.717SS**  cis-165.1-176.2-12-95.3-32000106
332Q25.5Very low29.1Very low151 Ų151128 Ų12871%0.70671%0.711SS**  cis-152.1-171.512.7-147.8178.8-97.800110.1
333D24.5Very low29.1Very low123 Ų123127.1 Ų127.166%0.65870%0.7SS**  trans63.1129.2165.3-54-19.4000117.3
334C26Very low29.2Very low118 Ų118124 Ų12480%0.79769%0.692SS**  cis-123.7137.422.3-63.50000114.8
335S26.8Very low29.7Very low96 Ų96124.5 Ų124.567%0.67169%0.685SS**  25.9146.1110-56.20000120.2
336I28.8Very low29.4Very low158 Ų158125.8 Ų125.881%0.8168%0.682SS**  cis-159.6177.44.5-121.3165000111.8
337N26.3Very low29.3Very low153 Ų153124.5 Ų124.582%0.81868%0.683SS**  trans-52.7167.5173.9-79.9-23.4000116.4
338A32.4Very low29.3Very low89 Ų89124.2 Ų124.274%0.73670%0.698SS**SBendtrans-73.4144.9166.300000113.5
339D31.4Very low29Very low135 Ų135123.7 Ų123.772%0.72270%0.696SS**  trans56.2105.2155.4-77.3-50.9000121.7
340N31.9Very low28.8Very low112 Ų112125.8 Ų125.860%0.59969%0.693SS**  65.3139.2119-82.4-68.7000119.4S100S100-N340 WeakPolarHBondContact CB-O 3.37Å; S100-N340 PolarHBondContact OG-O 2.73Å; S100-N340 VanDerWaalsContact OG-O 3.12Å
341I32.1Very low28.6Very low55 Ų55125.7 Ų125.728%0.28269%0.692SS.*  cis-146160.847.9-78177.2000110.9L99 S100 S101L99-I341 HydrophobicContact CB-CD1 3.7Å; L99-I341 WeakPolarHBondContact O-CD1 3.24Å; L99-I341 WeakPolarHBondContact O-CG2 3.44Å; S100-I341 VanDerWaalsContact O-CG2 3.24Å; S100-I341 WeakPolarHBondContact O-CG2 3.42Å; S101-I341 WeakPolarHBondContact CA-O 3.43Å; S101-I341 PolarHBondContact N-O 3.49Å; S101-I341 PolarHBondContact OG-N 3Å; S101-I341 PolarHBondContact OG-O 3.15Å
342K29.8Very low28.7Very low150 Ų150125.5 Ų125.565%0.65269%0.694SS**  trans-0.9150.7153.7-65.4177.6177.1179.90118.8S101S101-K342 PolarHBondContact N-O 2.84Å
343N30.4Very low28.9Very low97 Ų97126.6 Ų126.652%0.51970%0.699SS.*  cis-157.3136.429-139.320.2000113.6
344N28.3Very low29Very low126 Ų126124.6 Ų124.667%0.67470%0.695SS**  trans58.8145.4139.8-67.65.6000120.3
345I34.9Very low29.4Very low129 Ų129124.6 Ų124.666%0.66269%0.691SS**  cis-145.7168.615.4-138.9157.6000113.1
346E29.1Very low29.2Very low162 Ų162125.6 Ų125.676%0.75769%0.694SS**  trans-19.3151.3157.8-68.6163.5124.500117.6
347S27Very low29.4Very low102 Ų102123.8 Ų123.871%0.71369%0.692SS**  cis-176.1150.9-5.648.60000111.1
348G29.7Very low29.3Very low73 Ų73123.5 Ų123.575%0.75369%0.691SS**  trans73.8178.6157.400000116.3
349Q26.2Very low29.2Very low165 Ų165125.7 Ų125.777%0.77169%0.689SS**  cis-154165-5.8-144.7171.1-50.800110.8
350E28.4Very low28.8Very low161 Ų161124.3 Ų124.375%0.75269%0.69SS**  trans67.7121.7167.4-57.9175.8175.500116.1
351S24.3Very low28.7Very low91 Ų91124.5 Ų124.564%0.63670%0.7SS**  cis81.8107.225.893.30000116.4
352Q29.1Very low28.4Very low189 Ų189131.4 Ų131.488%0.88373%0.728SS**SBendtrans-139.2129.4142.9-64.3-170.49.900106.8
353Q29.5Very low28.3Very low174 Ų174129.3 Ų129.381%0.81373%0.73SS**SBendcis-113.4132.4-5.1-74.5-177.3-34.700108.1
354S27Very low28Very low82 Ų82129 Ų12957%0.57374%0.735SS**  59.4125.361.181.70000111.7
355T33.3Very low28.1Very low117 Ų117130.7 Ų130.772%0.71874%0.744SS**  cis-135.8157.617.253.80000109
356T24.6Very low28Very low118 Ų118128.9 Ų128.972%0.72474%0.743SS**  44.1151.262.759.80000114.5
357P32.5Very low28.2Very low119 Ų119126.2 Ų126.277%0.77374%0.742SS**  cis-94.9166.1-8.13.620.4000112.2
358D23Very low28.4Very low148 Ų148126.1 Ų126.179%0.79174%0.741SS**  cis94.9162.837.2-158.313.7000114
359L30.2Very low28.4Very low134 Ų134128.2 Ų128.270%0.70274%0.744SS**  trans77.976.4171.2-54.4-177.6000119.4
360S24.4Very low28.9Very low107 Ų107125.9 Ų125.975%0.74874%0.744SS**  32.3107.9121.364.50000120.1
361S28.4Very low28.7Very low115 Ų115121.5 Ų121.580%0.80473%0.73SS**  trans-165.3157131.338.70000113
362F26.3Very low28.7Very low200 Ų200121.2 Ų121.288%0.87773%0.729SS**  trans-52.8157.5164.6-56-87.8000111
363P28.1Very low28.8Very low107 Ų107119.3 Ų119.370%0.69573%0.73SS**  cis-150.7174.933.741.2-20.4000118.3
364S24.6Very low28.7Very low89 Ų89114.8 Ų114.862%0.62272%0.717SS**  trans61.1158.213970.80000121.8
365L29.4Very low29.3Very low163 Ų163114.5 Ų114.585%0.85371%0.714SS**  trans67.5127.6167.2-53.9162000115
366S32.8Very low29Very low91 Ų91114.6 Ų114.664%0.63672%0.718SS**  cis-167.4147.7-11.149.50000109
367S32.8Very low29Very low105 Ų105112.7 Ų112.773%0.73471%0.709SS**  trans50.3134.8150.6590000120.7
368S31.4Very low28.9Very low101 Ų101115.2 Ų115.271%0.70671%0.713SS**  cis-176.3155.6-0.544.30000112.4
369S31Very low29Very low116 Ų116112.3 Ų112.381%0.81170%0.704SS**  trans76.9156.5140.4-70.30000120.7
370P34.8Very low29Very low117 Ų117117.2 Ų117.276%0.7671%0.713SS**  trans-130.5-168-143.343.1-26.4000114.7
371S24.7Very low29.1Very low68 Ų68116.1 Ų116.148%0.47671%0.711SS.*SBendtrans-58.5154.816256.60000113.6
372S25.4Very low29.1Very low86 Ų86117.1 Ų117.160%0.60171%0.707SS**  trans59.4101.4157.562.30000119.3
373T29.8Very low29.3Very low148 Ų148114.9 Ų114.991%0.90870%0.699SS**  trans-152.9105.5137.731.40000112.7
374S27.9Very low29.4Very low79 Ų79116.3 Ų116.355%0.55271%0.706SS**  trans-84.617514056.10000109.1
375P38.9Very low29.8Very low76 Ų76115.6 Ų115.649%0.49471%0.712SS.*  cis-129.4170.3-44.437.1-23.2000112
376C27.4Very low29.8Very low120 Ų120115.3 Ų115.381%0.81171%0.712SS**  trans-176.1134.9148.9-101.20000108
377S24.3Very low29.7Very low77 Ų77118.5 Ų118.554%0.53872%0.717SS.*  cis83.971.743.6-580000114.8
378M30.8Very low29.7Very low173 Ų173119 Ų11985%0.85272%0.715SS**  trans-165.1117.6151.4-94.9-65.9107.800105.9
379S25.5Very low29.6Very low86 Ų86120.4 Ų120.460%0.60172%0.719SS**  cis93.747.721.6-45.20000117.1
380R30.7Very low29.6Very low237 Ų237122.4 Ų122.489%0.89471%0.714SS**  trans-165.1127.3141.8-106.3156.9171.2152.6-3.7108.1
381A26.8Very low29.1Very low85 Ų85123.7 Ų123.770%0.70271%0.709SS**  cis81.913833.600000114.8
382N27.2Very low29.5Very low136 Ų136127.8 Ų127.873%0.72773%0.726SS**  trans85.9109.4166-68.619.8000120.3
383H30.5Very low29.9Very low153 Ų153128.4 Ų128.471%0.70873%0.73SS**  86.5131.3128.6-71.1-51.9000123.2
384T30.1Very low30Very low137 Ų137125.8 Ų125.884%0.8472%0.718SS**  trans71.1148.8142.150.80000119.9
385G33.8Very low30.1Very low73 Ų73129.3 Ų129.375%0.75373%0.73SS**  trans84.690.1-16700000110.4
386D28.3Very low29.4Very low158 Ų158130.8 Ų130.885%0.84574%0.738SS**  cis80.2148.930.8-145.2-3.2000114.8
387E32.6Very low29.7Very low157 Ų157131.9 Ų131.973%0.73474%0.735SS**  trans63.4117.7174.7-58.6-150120.700121.8
388T32.4Very low29.9Very low115 Ų115137 Ų13771%0.70675%0.751SS**  trans56.4114.5138.362.80000120.5
389V29Very low29.8Very low131 Ų131135 Ų13579%0.79474%0.743SS**  64.786.673.7179.30000114
390K30.2Very low29.9Very low158 Ų158139.4 Ų139.469%0.68775%0.753SS**  -178.6137.6116.1-105.5165.7169.7-102.90115.1
391E24.7Very low29.7Very low144 Ų144133.9 Ų133.967%0.67374%0.74SS**  trans60.5177.5148.8-67.6157.4-139.600116.8
392N33.6Very low29.8Very low155 Ų155141.1 Ų141.183%0.82975%0.749SS**  trans69137.2-170-47.5-62.3000114.9
393S33.9Very low30.1Very low98 Ų98139.2 Ų139.269%0.68574%0.743SS**  cis-158.3145.2-12.348.20000110.6
394S32.5Very low30.4Very low93 Ų93137.7 Ų137.765%0.6575%0.746SS**  trans41.1129.9145.567.60000120.2
395L28.3Very low30.4Very low153 Ų153140.5 Ų140.580%0.80174%0.743SS**  54.5144.557.8-68.283.6000113.1
396T26Very low30.2Very low107 Ų107143.7 Ų143.766%0.65674%0.743SS**  cis-154.4-154.3-17.323.20000106.4
397D32.4Very low30.3Very low143 Ų143139.5 Ų139.577%0.76573%0.731SS**  trans91.9115.6153.1-49.2-6.7000113.8
398E29.9Very low30.1Very low185 Ų185137.8 Ų137.886%0.86473%0.731SS**  cis-144.1154.91.2-131.9-173.615900113.5
399I26.6Very low30.1Very low132 Ų132138.9 Ų138.968%0.67773%0.728SS**  trans-115118.8-176.2-59.2170.8000110I401I399-I401 HydrophobicContact CG2-CD1 3.63Å; I399-I401 HydrophobicContact CG2-CG1 4.09Å
400Q29.7Very low30.1Very low177 Ų177142 Ų14283%0.82773%0.726SS**  trans-174.4115.9134-101.11569700109.9
401I26.2Very low30.1Very low121 Ų121144 Ų14462%0.62173%0.729SS**  65.910368.3-58.6165.8000112.8I399I399-I401 HydrophobicContact CG2-CD1 3.63Å; I399-I401 HydrophobicContact CG2-CG1 4.09Å
402R28.9Very low30.4Very low237 Ų237145.6 Ų145.689%0.89473%0.733SS**  -161.1124.7106.7-125.6124.5-168-157.85.3115.7
403T31.8Very low30.3Very low96 Ų96146.6 Ų146.659%0.58973%0.733SS**  trans-73.4169.9159.353.60000111.6
404P38.5Very low30Very low121 Ų121150.3 Ų150.379%0.78674%0.744SS**  -126.5137.594.22.619.3000112.4
405Y28.4Very low29.8Very low196 Ų196155 Ų15577%0.76975%0.753SS**  66.414080.9-79.5-124000113.5
406N30.6Very low29.7Very low140 Ų140153.4 Ų153.475%0.74975%0.75SS**  cis-157162.730.6-150.2-8.8000116.3
407A31Very low29.9Very low71 Ų71157.3 Ų157.359%0.58776%0.761SS**  trans66.597.3148.700000123
408T27.6Very low29.8Very low120 Ų120157.8 Ų157.874%0.73676%0.762SS**  16.6148.711255.90000120.2
409Q32.4Very low29.7Very low138 Ų138153.5 Ų153.565%0.64575%0.752SS**  cis-169.3147.122.7-133.7177.557.600113.1
410R29Very low29.8Very low198 Ų198152.8 Ų152.875%0.74775%0.75SS**  trans65.1154.3152.2-76.8167.1175.4164.1-8.5117.3
411R31Very low29.9Very low199 Ų199151.8 Ų151.875%0.75175%0.75SS**  cis-161.2151.311.1-137.8-178.3-169.71723.5111.5
412K30.1Very low30.1Very low177 Ų177151.9 Ų151.977%0.7775%0.751SS**  trans66.9159.4161.5-59.7-174.9166.9-166.80115.5
413E31.1Very low30.2Very low176 Ų176145.1 Ų145.182%0.82274%0.74SS**  cis-116.11684.2-71.4178.8153.800112.2
414L28.1Very low30.3Very low176 Ų176146.6 Ų146.692%0.92174%0.744SS**  trans-130.8139.1177.6-88.1174.5000110.7
415F27.8Very low30.1Very low193 Ų193147.9 Ų147.985%0.84674%0.739SS**  trans-124.9131172.2-115.7-93.5000110
416T26.4Very low30.1Very low119 Ų119146.9 Ų146.973%0.7374%0.742SS**  trans12.8115.9161.851.20000121.6
417Q30.7Very low30.4Very low188 Ų188143.7 Ų143.788%0.87974%0.741SS**  trans-148.9123.2132.8-93.51672100105.2
418I30.5Very low30.3Very low153 Ų153147.5 Ų147.579%0.78575%0.752SS**  74.494.764.6-61178.6000113.3
419S27.7Very low30.5Very low95 Ų95146.7 Ų146.766%0.66475%0.75SS**  trans60.8124.3143.5-83.50000125.1
420N29.3Very low30.6Very low117 Ų117149.9 Ų149.963%0.62676%0.757SS**  80.9108.9128.5-59.413000120.8I422N420-I422 HydrophobicContact CB-CD1 4.06Å; N420-I422 HydrophobicContact CB-CG1 4.4Å
421N30.6Very low30.6Very low156 Ų156148.6 Ų148.683%0.83476%0.76SS**  -142.5130.8110.8-78.6-49.1000105.9
422I30.5Very low30.3Very low124 Ų124146.2 Ų146.264%0.63676%0.762SS**  cis69.9128.842.4-52.8169.7000110.2N420N420-I422 HydrophobicContact CB-CD1 4.06Å; N420-I422 HydrophobicContact CB-CG1 4.4Å
423S32Very low30.2Very low95 Ų95149.5 Ų149.566%0.66477%0.769SS**  cis-108.7-148.91.5-50.20000111.3
424D32.1Very low30Very low126 Ų126145 Ų14567%0.67476%0.757SS**  cis-159.7171.8-3.3-133.2-44.1000112.8
425H34.9Very low30Very low149 Ų149143.5 Ų143.569%0.6975%0.75SS**  trans58147.8166.7-64.9-71.1000119.7
426E29.5Very low29.9Very low175 Ų175139.8 Ų139.882%0.81874%0.743SS**  cis-172.2155.5-34.5-126174.3170.200107.5
427G35.1Very low29.9Very low72 Ų72138.3 Ų138.374%0.74274%0.738SS**  trans131.497.1170.200000115.7
428D30.2Very low29.9Very low152 Ų152135.8 Ų135.881%0.81373%0.73SS**  trans-70.8160.6174-50.3-91.6000113.7
429C32Very low30Very low102 Ų102134.6 Ų134.669%0.68972%0.724SS**  168.3126.3119.4-90.30000114.5
430Y33Very low30.1Very low205 Ų205137.8 Ų137.880%0.80473%0.728SS**  trans53.1140.9145.4-60.9-64.3000121.8
431E29.3Very low30.1Very low171 Ų171137.4 Ų137.480%0.79973%0.731SS**  cis-157.2166-20.2-151.2174.4-154.200111.3
432L25.3Very low30.1Very low150 Ų150135.3 Ų135.379%0.78572%0.723SS**  trans-83.7145.4179.2-64153.7000113.3
433R27.6Very low30.1Very low245 Ų245135.1 Ų135.193%0.92573%0.728SS**  trans-166.9126.9134.9-104.7162.5-174-149.30.5108.9
434S27.3Very low30Very low82 Ų82139.7 Ų139.757%0.57374%0.737SS**  cis97.4122.726.9-61.60000114.3
435N27.2Very low29.9Very low145 Ų145139.9 Ų139.978%0.77574%0.737SS**  trans76.3156149.5-57.24.5000119.4
436T26.8Very low29.5Very low115 Ų115139.5 Ų139.571%0.70674%0.741SS**  cis-167.3152.7-39.936.10000109.5
437S27.2Very low29.5Very low87 Ų87138.9 Ų138.961%0.60874%0.742SS**  trans66.6159.2144.969.30000122.7
438D29.6Very low29.1Very low135 Ų135140 Ų14072%0.72274%0.739SS**  trans76.1139.7156.8-49.5-44.7000118.4
439I32Very low28.9Very low128 Ų128139.3 Ų139.366%0.65673%0.733SS**  cis-156.2148.23.5-130.1166.9000111.8
440E30.3Very low28.6Very low162 Ų162139.2 Ų139.276%0.75773%0.734SS**  trans59.5157.5158.3-67.8175.1-153.300120.4
441T30.1Very low28.3Very low110 Ų110136.3 Ų136.368%0.67573%0.731SS**  cis-154164.7-4.88.60000113
442T31Very low28.1Very low111 Ų111132.9 Ų132.968%0.68173%0.726SS**  trans6096.1151.751.20000123.8
443T28.7Very low28.3Very low120 Ų120131.7 Ų131.774%0.73673%0.725SS**  58.8142.1118.960.60000125.9
444F30Very low28.4Very low192 Ų192125.1 Ų125.184%0.84272%0.717SS**  trans99156.4144.6-87.3-61.3000122.2
445N29.9Very low28.5Very low129 Ų129127.5 Ų127.569%0.6972%0.723SS**  trans-89.6160.9-152.8-67.3-39.9000115.6
446N27Very low28.7Very low141 Ų141126.7 Ų126.775%0.75472%0.719SS**  trans48.3116.6144.1-69-14.1000120.5
447L30.3Very low28.7Very low163 Ų163128.9 Ų128.985%0.85372%0.723SS**  trans44.4111.6138.5-73.3166.7000118.6
448S25.3Very low29Very low96 Ų96130.9 Ų130.967%0.67173%0.727SS**  160.9-17395.257.40000112.2
449I27.6Very low29Very low136 Ų136132.2 Ų132.270%0.69773%0.729SS**  trans70.8106.7165.3-64.1151.8000113.8I451I449-I451 HydrophobicContact CG2-CG1 4.46Å
450S24.7Very low28.8Very low101 Ų101132.6 Ų132.671%0.70673%0.731SS**  64.9145.463.480.20000113.4
451I27.5Very low28.6Very low144 Ų144131.2 Ų131.274%0.73873%0.729SS**  -163166.377-84.2177.8000111.3I449I449-I451 HydrophobicContact CG2-CG1 4.46Å
452S25.1Very low28.7Very low99 Ų99137.2 Ų137.269%0.69274%0.739SS**  trans-55.3176.9177.955.70000117.2
453T30.2Very low28.5Very low125 Ų125140.2 Ų140.277%0.76775%0.745SS**  cis-152.8142.631.746.40000117.1
454S28.4Very low28.7Very low107 Ų107139.8 Ų139.875%0.74874%0.743SS**  trans28.7131.5135.1-109.90000123.8
455N28.8Very low28.8Very low131 Ų131139.7 Ų139.770%0.70174%0.742SS**  109144.9128.4-8952.4000122
456D32Very low28.8Very low129 Ų129138.6 Ų138.669%0.6975%0.745SS**  trans66.294158.1-55.9-12.2000121.4
457M27.5Very low28.9Very low161 Ų161140 Ų14079%0.79375%0.747SS**  55.2131.4120.1-66.3-67.6-70.300121.3
458N32.3Very low29.2Very low129 Ų129139.3 Ų139.369%0.6974%0.742SS**  trans105.1137156.6-62.3-13.4000118.6
459E30.1Very low29.4Very low163 Ų163139.3 Ų139.376%0.76274%0.743SS**  trans63.5108.5149.4-68-179.1126.200122.1
460L27.2Very low29.5Very low136 Ų136138.4 Ų138.471%0.71275%0.748SS**  51.6112119.1-74.4164.4000120.6
461N27.6Very low30.2Very low133 Ų133138.8 Ų138.871%0.71175%0.748SS**  55.2133.5121.3-93.4-23.5000121.7
462R31.9Very low30.2Very low235 Ų235140.3 Ų140.389%0.88776%0.757SS**  trans75.1162.2162.8-60.7173.5175.8-178.5-3.5112.3
463E27.1Very low30.3Very low174 Ų174138.3 Ų138.381%0.81375%0.752SS**  cis-137.2166.233.5-60.8178.8147.200112.6
464T32.2Very low30.2Very low111 Ų111142.3 Ų142.368%0.68176%0.759SS**  -178.3157.769.942.50000108.4
465K31.3Very low30Very low190 Ų190142.9 Ų142.983%0.82676%0.758SS**  cis-125.9174.8-12-74.7108.3177.3-176.80106.9
466S31.1Very low29.9Very low107 Ų107145.2 Ų145.275%0.74876%0.762SS**  cis-147173.114.755.70000112.4
467E28.9Very low29.6Very low170 Ų170144.1 Ų144.179%0.79476%0.76SS**  trans-46.8161.4169.7-58128.1-133.800113.7
468I36Very low29.4Very low148 Ų148141.8 Ų141.876%0.75976%0.755SS**  cis-154.3136.249.3-73.7172.1000113.6
469S30.7Very low29.1Very low97 Ų97143 Ų14368%0.67876%0.756SS**  trans41.9124.6152.882.80000125.5
470S29.8Very low28.9Very low117 Ų117143 Ų14382%0.81876%0.758SS**  83.1155.2124.3-65.40000122.8
471P38.6Very low29.1Very low109 Ų109140.1 Ų140.171%0.70875%0.754SS**  trans-133-167-148.643.7-25.5000116.6
472L28.4Very low29.3Very low176 Ų176145 Ų14592%0.92176%0.762SS**  trans77149.1-178.4-55.6152000113.6
473G26.8Very low29.3Very low57 Ų57138.2 Ų138.259%0.58875%0.751SS**  cis152.2143.8-4.800000110.8
474F27.2Very low29.4Very low209 Ų209136.8 Ų136.892%0.91775%0.749SS**  trans63.8161.6-175.9-67.5-95.2000114.8
475V25.5Very low29.5Very low118 Ų118136.5 Ų136.572%0.71575%0.752SS**  cis-165.3169.6-42.2106.10000107.3
476K25.7Very low29.7Very low180 Ų180135 Ų13578%0.78375%0.751SS**  trans77122.9162.2-101.7177.6-179.4-177.30120.3
477T25.3Very low30.2Very low106 Ų106135.1 Ų135.165%0.6575%0.749SS**  41.5123.5128.560.40000122.2
478T24.8Very low30.4Very low113 Ų113133.6 Ų133.669%0.69375%0.746SS**  trans62.5112.6134.158.30000120.9
479E25.3Very low30.3Very low154 Ų154133 Ų13372%0.7274%0.744SS**  91.9137120.4-74.9-173.1138.400122.4
480M26.4Very low30.5Very low162 Ų162137 Ų13780%0.79875%0.749SS**  trans75.2144.4142.2-75.8175.9-165.400119.5
481A31Very low30.4Very low76 Ų76137.5 Ų137.563%0.62874%0.742SS**  cis-155.3142.7-3.800000113.8
482R31.8Very low30.1Very low235 Ų235136.6 Ų136.689%0.88774%0.739SS**  trans163.9100.2130.3-91.5166.1172.9104.9-2108.2
483S30.5Very low30.2Very low93 Ų93133.9 Ų133.965%0.6573%0.734SS**  110.5122.164.354.50000108.3
484N30.4Very low30.3Very low145 Ų145137.1 Ų137.178%0.77574%0.743SS**  cis-149.115723.2-66.9-60000114
485S34.3Very low30.4Very low104 Ų104133.2 Ų133.273%0.72774%0.736SS**  trans48.5122.6155.355.20000120.8
486I35.4Very low30.5Very low160 Ų160134.9 Ų134.982%0.82174%0.74SS**  cis74.6127.446.5-59.7173.2000113.1
487P42.6Very low30.7Very low108 Ų108133 Ų13370%0.70174%0.744SS**  cis-113.6-143.11.527.6-3.2000111.9
488D31.9Very low30.9Very low138 Ų138132.9 Ų132.974%0.73875%0.747SS**  cis-161.5-164.514.8-141.7-28000115.7
489I33.4Very low31Very low136 Ų136137.3 Ų137.370%0.69776%0.757SS**  trans-97.7136.9-153.9-82167000119.2
490F35.1Very low31.1Very low181 Ų181135.6 Ų135.679%0.79476%0.762SS**  trans41148.5137.2-73.8-103.5000123.2
491D29.3Very low31.3Very low127 Ų127134.4 Ų134.468%0.67976%0.763SS**  cis-162.6171.3-5-159.418.6000114.3
492S31Very low31.3Very low91 Ų91136.2 Ų136.264%0.63677%0.767SS**  trans12.3153148.774.60000122.8
493S30.2Very low30.9Very low118 Ų118130.5 Ų130.583%0.82576%0.758SS**  cis-158.7-174.36.943.60000112.7
494T28.6Very low30.8Very low125 Ų125131.4 Ų131.477%0.76776%0.764SS**  trans-111.3145.6-165.250.10000116.8
495T29.6Very low30.6Very low127 Ų127129.4 Ų129.478%0.77976%0.762SS**  trans-166.7117.3139.740.70000108.1
496I28.4Very low30.2Very low153 Ų153130 Ų13079%0.78576%0.761SS**  52.495.877.4-52.5177.5000113.2
497T29.4Very low29.9Very low142 Ų142129.7 Ų129.787%0.87176%0.76SS**  trans-134.1124.2157.9420000109.6
498S29.2Very low29.4Very low102 Ų102129.8 Ų129.871%0.71376%0.758SS**  trans-110.1131.6-176.657.60000112
499K28.4Very low29.2Very low206 Ų206129.8 Ų129.890%0.89676%0.758SS**  trans59.278.3159.9-59178.7178.9179.60116.5
500S26.6Very low29.2Very low118 Ų118129.2 Ų129.283%0.82576%0.761SS**PPolyproline II helixtrans-95137.4141.852.70000108.9
501V31.2Very low29.1Very low138 Ų138127.9 Ų127.984%0.83676%0.763SS**PPolyproline II helixtrans-90.7116.4-179173.60000110.1T503V501-T503 PolarHBondContact O-N 2.8Å
502T29.6Very low29.2Very low113 Ų113125.4 Ų125.469%0.69376%0.759SS**PPolyproline II helixtrans-55119.5164.843.80000110.4
503T24.8Very low29.8Very low116 Ų116126.6 Ų126.671%0.71277%0.765SS**  47.4106.289.764.30000115.8V501V501-T503 PolarHBondContact O-N 2.8Å
504S28.3Very low29.9Very low111 Ų111128.2 Ų128.278%0.77676%0.764SS**  trans-174.6139.5136.6-77.60000106.3
505S24.8Very low30Very low103 Ų103133.1 Ų133.172%0.7277%0.768SS**  cis61.6161.92264.10000114
506V26.8Very low30.1Very low118 Ų118131.4 Ų131.472%0.71577%0.767SS**  cis-150.7-165.113.2-144.60000109.7
507L29.4Very low30.2Very low153 Ų153127.8 Ų127.880%0.80177%0.768SS**  trans88.5146.5155.8-50.4-167000116.7
508V31.5Very low30.4Very low110 Ų110125.1 Ų125.167%0.66776%0.76SS**  cis-169.2159.4-4.2121.10000107.3
509N28.4Very low30.5Very low138 Ų138125.2 Ų125.274%0.73876%0.76SS**  cis-139178.6-16.4-113.6-21.5000105.7
510T32.7Very low30.7Very low124 Ų124122.1 Ų122.176%0.76175%0.754SS**  cis-157.2175.64462.40000109.4
511N32.4Very low31Very low153 Ų153121.9 Ų121.982%0.81875%0.747SS**  cis-150.1-176.84.8-150.1-9.6000110.9
512A31.8Very low31Very low74 Ų74119.9 Ų119.961%0.61274%0.739SS**  trans-120.6-178.916800000110.8
513P44.3Very low31Very low116 Ų116121.2 Ų121.275%0.75374%0.742SS**  -123.6-158.760.342.3-28.8000111.8
514L32.4Very low31.2Very low153 Ų153122.1 Ų122.180%0.80174%0.742SS**  cis-153.1-143.214.4-137.9-156.8000113.3
515R30.3Very low31.2Very low227 Ų227127.1 Ų127.186%0.85775%0.746SS**  trans-85.1167.3-173.5-93.2173.9166.9172.7-5.7114.7
516A32Very low31.8Very low91 Ų91127.5 Ų127.575%0.75275%0.746SS**  cis-160149.7-100000114.1
517G30.4Very low31.8Very low78 Ų78132.9 Ų132.980%0.80475%0.753SS**  trans72164.5149.600000119.4
518A32.7Very low31.7Very low86 Ų86130.2 Ų130.271%0.71175%0.747SS**  cis-176.4139.1-26.400000109.9
519S31.7Very low31.6Very low103 Ų103134.4 Ų134.472%0.7276%0.757SS**  trans59.1158.1155.448.30000119.9
520N32.4Very low31.5Very low141 Ų141132.2 Ų132.275%0.75475%0.752SS**  cis-162.5159.2-12.7-107.20.4000112.7
521T33.7Very low31.1Very low113 Ų113134.5 Ų134.569%0.69375%0.754SS**  trans44.7102.7144.961.60000123.9
522S30.7Very low31.1Very low96 Ų96138.2 Ų138.267%0.67176%0.758SS**  38.5130.2114.365.10000125.1
523N29.1Very low31.1Very low141 Ų141138.6 Ų138.675%0.75476%0.761SS**  94113.9127.3-73.30.4000125.5
524L29Very low30.5Very low135 Ų135138 Ų13871%0.70776%0.76SS**  80.899129.3-59170.2000124.5
525Y28Very low30.6Very low216 Ų216139.8 Ų139.885%0.84776%0.761SS**  trans56.3173.3134.2-74.3-79.1000121.2
526P37.9Very low30.6Very low112 Ų112136 Ų13673%0.72776%0.758SS**  cis-137.8176.36.744.3-26000119.7
527R27.1Very low31.1Very low230 Ų230136.8 Ų136.887%0.86876%0.755SS**  trans48.7105.1147.9-90.7-173.2162157.4-3.1124.7
528S27.5Very low31.1Very low97 Ų97139 Ų13968%0.67875%0.749SS**  28.1125.7121.965.30000124
529K28.7Very low31.1Very low198 Ų198141.6 Ų141.686%0.86175%0.746SS**  177.6132.2107.5-105.8-171.8176.3-175.10116.6
530S26.3Very low31Very low92 Ų92144.1 Ų144.164%0.64374%0.744SS**  trans43.1129.5142.8630000125.7
531H25.9Very low31Very low173 Ų173144.4 Ų144.480%0.80174%0.744SS**  trans101155132.7-76.3-31.2000123.4
532Y30.7Very low30.6Very low230 Ų230145.4 Ų145.490%0.90275%0.745SS**  trans69.5128.7-173.8-64-91.6000116.6
533A33.2Very low30.6Very low83 Ų83148.9 Ų148.969%0.68675%0.751SS**  cis-164.9155.9-13.200000112.6
534S30.8Very low30.5Very low103 Ų103146.4 Ų146.472%0.7274%0.744SS**  trans61.3127.1151.7162.70000118.3
535K34.4Very low30.4Very low191 Ų191149.8 Ų149.883%0.8375%0.754SS**  cis-159.5154.617.6-115.1163.8-170.4174.50111.7
536D30.8Very low30.5Very low147 Ų147142.6 Ų142.679%0.78674%0.739SS**  trans-87.7-172.9173-28.5-101.5000111.3
537P41.3Very low30.2Very low107 Ų107141.9 Ų141.970%0.69573%0.732SS**  cis-122.4-161.7-16.327.5-1.9000110.4
538D31.8Very low30.2Very low124 Ų124137.4 Ų137.466%0.66373%0.726SS**  cis-169.815243.3-115-31.3000115
539H31.9Very low30.3Very low141 Ų141142.8 Ų142.865%0.65373%0.731SS**  trans33.4144140-77.176.8000123.3
540F29.8Very low30.2Very low157 Ų157143.5 Ų143.569%0.68973%0.728SS**  cis-174.2159-13-133.7-147.1000111.1
541I32.2Very low30.4Very low147 Ų147148.5 Ų148.575%0.75474%0.739SS**  trans67.8152.9152-74.4177.2000121
542N26.1Very low30.6Very low134 Ų134145 Ų14572%0.71773%0.733SS**  trans-102.7176.2-172.1-73.9-52.8000115.1
543H29.3Very low30.5Very low169 Ų169144.5 Ų144.578%0.78273%0.73SS**  trans88.3102.6149-71.9-63000122
544S27Very low30.4Very low89 Ų89150.6 Ų150.662%0.62274%0.737SS**  trans66.1132.1131.1650000121.4
545F28.2Very low30.3Very low206 Ų206152.5 Ų152.590%0.90474%0.739SS**  -170-177.4102.8-108.4-71.9000112.7
546A30.1Very low30.1Very low64 Ų64147.6 Ų147.653%0.52973%0.729SS.*  trans-87.4151.7-154.600000117.8
547T32Very low30Very low97 Ų97147.1 Ų147.160%0.59573%0.726SS**  trans6.9119.1152.358.30000119.9
548N26.7Very low29.4Very low136 Ų136148.1 Ų148.173%0.72773%0.725SS**  -169.6165.799.5-111.2-69.4000115.9
549R28.8Very low29.2Very low211 Ų211145.8 Ų145.880%0.79671%0.713SS**  trans-68.3169.1173.5-61.3166.9163.7147-8.8110.6
550R28Very low29.1Very low212 Ų212143.6 Ų143.680%0.871%0.706SS**  cis176.4166.648.7-148.4167.1-160.8156.3-0.3112.2
551K29.8Very low29Very low198 Ų198142.8 Ų142.886%0.86171%0.709SS**  trans76.2152.4171.1-53.3177.2178.7-179.40114.5
552S29.1Very low29Very low99 Ų99141.4 Ų141.469%0.69270%0.703SS**  cis-142.9145.68.5-158.90000109.2
553R29.3Very low29.1Very low220 Ų220140.9 Ų140.983%0.8370%0.7SS**  -167147.968.3-87.5-170-135.9-164.26.4111.8
554Y30.6Very low28.9Very low211 Ų211142.5 Ų142.583%0.82770%0.701SS**  trans36138.4154.9-63.5-98.8000121
555N28.7Very low29Very low142 Ų142143 Ų14376%0.75970%0.704SS**  cis102.212221.9176.8106.1000113.5
556S30.8Very low29.1Very low89 Ų89140.3 Ų140.362%0.62270%0.699SS**  cis-172.1170.9-8.9-163.20000112.1
557N28Very low29.3Very low136 Ų136145.8 Ų145.873%0.72772%0.719SS**  trans83.4130.7158.1-69.311.1000122.6
558N29.4Very low29.1Very low128 Ų128148.1 Ų148.168%0.68473%0.727SS**  trans82.4105.8144.4-65.13.8000123.9
559N28.5Very low29.1Very low76 Ų76148.2 Ų148.241%0.40673%0.727SS.*  71.5148.9128.7-57.5-7000121.8L279 K280L279-N559 CarbonylContact O-C 3.51Å; L279-N559 VanDerWaalsContact O-CB 3.3Å; L279-N559 WeakPolarHBondContact O-CB 3.49Å; K280-N559 WeakPolarHBondContact CA-O 3.45Å; K280-N559 WeakPolarHBondContact CB-O 3.4Å
560N29.8Very low29.1Very low94 Ų94147.5 Ų147.550%0.50373%0.73SS.*  cis-173.4100.3-20.6-95.9-20.5000112.9K280K280-N560 WeakPolarHBondContact CE-O 3.34Å; K280-N560 VanDerWaalsContact CG-N 3.28Å; K280-N560 WeakPolarHBondContact CG-O 3.23Å
561N27.7Very low29.1Very low141 Ų141142.3 Ų142.375%0.75473%0.726SS**  trans75.7144.2166.8-53.7-21.5000122.1K280K280-N561 WeakPolarHBondContact CD-O 3.31Å; K280-N561 WeakPolarHBondContact CE-O 3.45Å; K280-N561 PolarHBondContact NZ-O 3.34Å
562L31.1Very low29.1Very low118 Ų118140.5 Ų140.562%0.61873%0.725SS**  -162.8141.8120.6-100.4163.3000113.5K280K280-L562 VanDerWaalsContact NZ-CG 3.34Å
563D28.8Very low29Very low122 Ų122143.8 Ų143.865%0.65273%0.734SS**  trans51110.8145.8-65.41.6000126.4
564Y25.5Very low28.9Very low204 Ų204138.5 Ų138.580%0.873%0.731SS**  54.8117.8120-74.8-78.2000123.9
565S27.3Very low28.9Very low100 Ų100135.8 Ų135.870%0.69973%0.73SS**  75.4157.1128.385.40000118.2
566N30.4Very low29Very low149 Ų149137 Ų13780%0.79773%0.729SS**  cis-155.1138.5-9.8-128.8-17.1000109.5
567L34.8Very low28.9Very low179 Ų179142.5 Ų142.594%0.93774%0.738SS**  trans-136.1151.7160.8-95.4174.3000109.6
568N27.8Very low28.7Very low146 Ų146144.1 Ų144.178%0.78174%0.743SS**  trans-113.7167.7-147.4-157.4-9.4000113.9
569L27.6Very low28.6Very low137 Ų137147.6 Ų147.672%0.71775%0.752SS**  trans83.9124.9162.4-67.9160.8000120
570K28Very low28.6Very low196 Ų196148.6 Ų148.685%0.85277%0.765SS**  trans68.2121.7157.4-60.5171.9-177.7177.60115.2
571S27.7Very low28.4Very low103 Ų103153.5 Ų153.572%0.7278%0.782SS**  cis-167.2-173.533.959.40000113.1
572L29.9Very low28.4Very low160 Ų160154.5 Ų154.584%0.83879%0.786SS**  trans70.4104.4164.9-68.3162.2000118.3
573L26.9Very low28.2Very low168 Ų168155.9 Ų155.988%0.8879%0.791SS**  trans-71.8168.3152.8-79.174.5000110.4
574S27.5Very low28.2Very low110 Ų110158.2 Ų158.277%0.76980%0.798SS**  trans97.985.6158.8-167.40000118.3
575N29.7Very low28.5Very low153 Ų153153.1 Ų153.182%0.81879%0.79SS**  -156.4177.1113.7-125.6-48.2000114.7
576K31.9Very low28.6Very low168 Ų168157 Ų15773%0.7380%0.795SS**  trans-86.5157.8-161.8-79.1174.4176.3172.80117.2
577Y27.9Very low28.4Very low205 Ų205156 Ų15680%0.80479%0.789SS**  trans25.4157.5143.1-57.2-68000121.5
578M24.3Very low28Very low170 Ų170152.3 Ų152.384%0.83777%0.769SS**  cis-162.1145.113.6-151.9-173.4-72.700112.1
579K27.6Very low28.5Very low201 Ų201149.9 Ų149.987%0.87476%0.761SS**  trans177.5149.6153.8-107.5179.8177.2178.10109.9
580S28.6Very low28.3Very low97 Ų97148.8 Ų148.868%0.67876%0.756SS**  cis-168.2125.6-31.347.10000109.7
581F25.9Very low28.2Very low197 Ų197149.5 Ų149.586%0.86476%0.755SS**  trans19.8127.9160.5-82.1-93.8000121.4
582L27.5Very low28.2Very low161 Ų161153.9 Ų153.984%0.84377%0.766SS**  -156.4124119.5-105.6174.3000112.2
583M27.5Very low28.2Very low147 Ų147153.1 Ų153.172%0.72476%0.763SS**  trans52.9109.6156.1-61.9-78.186.600122.5
584Q26.8Very low28.5Very low172 Ų172150.3 Ų150.380%0.80475%0.753SS**  trans-63.5-178.4140.3-95.6177.7-13.600111.9
585P32.6Very low28.6Very low97 Ų97147.8 Ų147.863%0.6374%0.735SS**  cis-125.2179.415.517.510.8000113.8
586F28.9Very low28.4Very low182 Ų182143.7 Ų143.780%0.79872%0.723SS**  cis-151.1-178.847.4-100.2-89000114.7
587L27Very low28.3Very low128 Ų128146.9 Ų146.967%0.6773%0.732SS**  trans-69.3156.3-176.9-70.478.3000112.7
588I26.6Very low28.2Very low101 Ų101141.7 Ų141.752%0.51873%0.725SS.*  cis78.1135.433-51.7158.9000112.9N1391I588-N1391 WeakPolarHBondContact CD1-OD1 3.34Å
589P37.3Very low28.4Very low94 Ų94139 Ų13961%0.6172%0.719SS**  cis-110.5-146.1-37.735.1-13.7000109.3
590D24.9Very low28.5Very low114 Ų114136.6 Ų136.661%0.6172%0.715SS**  cis-165.8167.945-136.5-26.5000114.8L650D590-L650 HydrophobicContact CB-CD2 4.17Å
591Y24.6Very low28.8Very low211 Ų211137.7 Ų137.783%0.82771%0.713SS**  trans-110.8121.8175.7-106.3-101.7000110.8
592M27.7Very low29.2Very low196 Ų196130.8 Ų130.897%0.96670%0.698SS**  trans-149.8169.8153-90.4-49.6148.900111.5
593N30.2Very low29.5Very low144 Ų144132.6 Ų132.677%0.7769%0.694SS**  trans-123.4161.5-158.9-155.12.3000114.1
594T34.3Very low29.7Very low108 Ų108132.1 Ų132.166%0.66370%0.695SS**  trans6292.9163.446.20000121.2
595S28.5Very low29.7Very low58 Ų58131.3 Ų131.341%0.40670%0.695SS.*  68.1120.912869.70000123.9N326 N327N326-S595 WeakPolarHBondContact OD1-CB 3.45Å; N327-S595 PolarHBondContact ND2-OG 3.26Å
596A26.5Very low29.5Very low67 Ų67130.3 Ų130.355%0.55470%0.695SS**  trans94.4115.9131.700000121.2
597Y28.2Very low29.4Very low234 Ų234129 Ų12992%0.91870%0.697SS**  trans-152.2167.5134.5-109.4-76.5000109.6
598S27.1Very low29.3Very low96 Ų96130.9 Ų130.967%0.67171%0.706SS**  trans-120.9170-169.759.10000113
599T29Very low29.2Very low115 Ų115137 Ų13771%0.70672%0.723SS**  176.7134.2128.643.10000115.6
600L29.4Very low28.7Very low150 Ų150141.6 Ų141.679%0.78573%0.733SS**  trans54127.5135.7-68.8161.9000124.5
601N34.6Very low28.6Very low120 Ų120140.3 Ų140.364%0.64273%0.733SS**  -135.3157.5121.1-88.3-27.7000106Y658N601-Y658 WeakPolarHBondContact CB-O 3.32Å; N601-Y658 PolarHBondContact ND2-O 2.68Å
602G34.2Very low28.6Very low52 Ų52138.5 Ų138.554%0.53673%0.73SS.*  cis173.3165.4-1.900000109.4
603Y33.1Very low28.7Very low198 Ų198136.6 Ų136.678%0.77672%0.717SS**  trans70.9114.7-168.3-51.2-73.1000113.8
604D31.4Very low28.6Very low137 Ų137136 Ų13673%0.73371%0.713SS**  74.1134.161.7-77.3-25.4000114.5
605L28Very low28.3Very low155 Ų155138.8 Ų138.881%0.81272%0.724SS**  cis-160.7154.3-21.4-167.464.8000108.5
606A28.3Very low28.2Very low76 Ų76144.8 Ų144.863%0.62875%0.746SS**  trans66.3112.9165.100000120.2
607N26.9Very low28.4Very low155 Ų155144.9 Ų144.983%0.82975%0.754SS**  trans66.4134.1136.4-66-23.2000123.2
608L23.6Very low28.6Very low167 Ų167138.9 Ų138.987%0.87475%0.746SS**  trans76.4138.5153-77.2165.6000120.3
609R24.4Very low28.9Very low231 Ų231143.6 Ų143.687%0.87275%0.754SS**  trans71.9118.4167.3-68.8-173.7173.8-171.20.7119
610K27.1Very low29Very low190 Ų190145.7 Ų145.783%0.82676%0.756SS**  43.693.7129.2-74.2-165.4173.4-168.70117.9
611S24.1Very low29.1Very low87 Ų87144.1 Ų144.161%0.60875%0.749SS**  61.3152.4105.570.80000121.8
612F24.7Very low28.9Very low172 Ų172146.6 Ų146.675%0.75475%0.754SS**  trans81.6141.3146.2-82.6-58.9000120.1
613F29.3Very low28.8Very low157 Ų157151.9 Ų151.969%0.68977%0.765SS**  trans53111.3168.3-58.6-68.3000116.7
614N27.5Very low28.9Very low130 Ų130148.5 Ų148.570%0.69577%0.765SS**  63.4136.568.9-57.27.7000112.5
615N27.5Very low28.8Very low167 Ų167146.2 Ų146.289%0.89377%0.765SS**  trans-142.966.6162.6-98-69.1000109.8
616E26.8Very low28.8Very low184 Ų184143.5 Ų143.586%0.8677%0.765SS**  trans-78.8162.1137.7-67.2-168.812800108.5
617G31.9Very low28.8Very low70 Ų70144.6 Ų144.672%0.72277%0.774SS**SBendtrans63.371.6152.500000118.1
618S32Very low28.8Very low108 Ų108142 Ų14276%0.75577%0.773SS**  trans13.6109.6144.256.30000120
619K33.2Very low28.9Very low195 Ų195139 Ų13985%0.84877%0.774SS**  trans35.5117.5137.9-53.8176.1179.1177.70118.6
620Q32Very low29Very low159 Ų159132.8 Ų132.874%0.74377%0.771SS**  174.6140.695.3-93.8-156.215.100115.6
621N30.7Very low29Very low117 Ų117128.3 Ų128.363%0.62677%0.769SS**  trans86.6137.4143.9-58.8-13.2000124.7
622F30.9Very low29.3Very low172 Ų172129 Ų12975%0.75478%0.781SS**  trans67.293.1156.2-63.7-62.2000124.9
623Q32.5Very low29.5Very low163 Ų163125.1 Ų125.176%0.76278%0.78SS**  69113.9115.2-76.3-177.5-8.700125.1
624T33.7Very low29.6Very low127 Ų127126 Ų12678%0.77979%0.792SS**  93.4115114.8-57.60000124.1
625A30.2Very low29.8Very low88 Ų88126 Ų12673%0.72779%0.791SS**  trans91107.5138.700000126.3
626A28.3Very low30.3Very low99 Ų99121.4 Ų121.482%0.81877%0.77SS**  94.8138.111100000126.5
627A27.9Very low30.3Very low99 Ų99118.9 Ų118.982%0.81876%0.758SS**  trans98.2106.3139.400000125.7
628A26.5Very low30.5Very low99 Ų99121 Ų12182%0.81876%0.759SS**  78.1134.8123.100000127.3
629A26.2Very low30.4Very low106 Ų106119.3 Ų119.388%0.87676%0.758SS**  trans60.6166.8146.400000120.8
630A26.2Very low30.1Very low99 Ų99117.7 Ų117.782%0.81876%0.758SS**  cis-179.9164.7-32.100000108
631A27.2Very low30Very low96 Ų96118.6 Ų118.679%0.79376%0.76SS**  cis-171.3-171.2-25.300000109.1
632A29.5Very low29.9Very low103 Ų103120.3 Ų120.385%0.85177%0.767SS**  trans72.3151.2171.600000118.4
633A30.5Very low29.8Very low90 Ų90118.8 Ų118.874%0.74477%0.767SS**  cis-165.1175.8-1600000112.9
634L31.4Very low29.5Very low176 Ų176115.8 Ų115.892%0.92176%0.764SS**  trans92.4139.8165.7-61.7170.4000120.2
635L29.9Very low29.8Very low130 Ų130115 Ų11568%0.68176%0.762SS**  trans-144.1-172.3-171.3-90.7170000106.5
636P38.4Very low29.6Very low69 Ų69116 Ų11645%0.44876%0.762SS.*  cis-133.5160.7-4.822.71.5000116.6L1632 I1633P636-L1632 HydrophobicContact CG-CD2 4.27Å; P636-I1633 HydrophobicContact CG-CG1 4.46Å
637E27.8Very low29.5Very low131 Ų131120.7 Ų120.761%0.61276%0.76SS**  trans49.2163135.3-60.3-60.8153.600123.1
638P35.4Very low29.5Very low116 Ų116125.8 Ų125.875%0.75376%0.759SS**  cis-127.5178.6-16.936.9-20.7000114.3
639G30.5Very low29.3Very low71 Ų71132.2 Ų132.273%0.73276%0.762SS**  trans87.975.5137.800000118.4
640L26.6Very low29.4Very low161 Ų161133.7 Ų133.784%0.84376%0.755SS**  trans-61.5137.4148.1-74.6106.5000109.5
641F29.8Very low29.9Very low179 Ų179134 Ų13479%0.78575%0.748SS**  -167.494.3112.1-103.4-65.3000111.4
642I28.4Very low29.9Very low152 Ų152134.1 Ų134.178%0.77974%0.744SS**  trans-77.3119.2156.1-59.6170.8000106.3
643N27.9Very low29.9Very low140 Ų140137 Ų13775%0.74974%0.744SS**  trans-121.292.9162.5-95.2-36.4000109.2
644S27.6Very low30Very low100 Ų100136 Ų13670%0.69974%0.743SS**  trans-80163.2159.7-73.40000110
645P38.5Very low29.8Very low112 Ų112135.9 Ų135.973%0.72774%0.735SS**  trans-111.6177.7-147.941.8-37000116
646C26.1Very low29.8Very low108 Ų108135.7 Ų135.773%0.7374%0.735SS**  trans88.4155155.2-59.60000119.8
647Y27.6Very low29.4Very low198 Ų198136.9 Ų136.978%0.77674%0.737SS**  trans91.486.3165.9-71-82.1000122
648Y27Very low29.6Very low205 Ų205138.8 Ų138.880%0.80474%0.74SS**  74.9153.6129.1-88.4-115.5000121.6
649W23.5Very low29.3Very low234 Ų234138 Ų13889%0.88673%0.733SS**  trans-128.1126179-119.262.6000109.1
650L27.8Very low29.4Very low138 Ų138142.5 Ų142.572%0.72373%0.732SS**  trans-158150150.7-104.9134.4000108.3D590D590-L650 HydrophobicContact CB-CD2 4.17Å
651P36.7Very low29.6Very low104 Ų104141.5 Ų141.568%0.67573%0.728SS**  trans-122.3177.3-154.741-28.4000115.9
652S26.9Very low29.7Very low100 Ų100138.5 Ų138.570%0.69973%0.725SS**  trans120.7137.2137.9-152.70000118.8
653L30.5Very low29.9Very low163 Ų163137.1 Ų137.185%0.85372%0.723SS**  trans65.7129.3156.7-70.8158000121.7
654G30.6Very low30Very low70 Ų70136.1 Ų136.172%0.72272%0.722SS**  trans170.763.6167.500000117.3
655F28.3Very low30.1Very low172 Ų172136.4 Ų136.475%0.75472%0.72SS**  trans-69.9143.7179.4-86.7-97.1000114.7
656N30.3Very low29.6Very low126 Ų126140.5 Ų140.567%0.67472%0.722SS**  161.6157.5116.8-85.1-42.3000112.9
657N30Very low29.7Very low94 Ų94140.4 Ų140.450%0.50372%0.719SS.*  cis178.6-169.6-35.2-128.7-47.9000108.7
658Y31Very low29.9Very low171 Ų171136.4 Ų136.467%0.67172%0.715SS**  trans77.9145.3167.8-64.5-98.6000115.6N601N601-Y658 WeakPolarHBondContact CB-O 3.32Å; N601-Y658 PolarHBondContact ND2-O 2.68Å
659T29.6Very low29.9Very low99 Ų99133.6 Ų133.661%0.60771%0.714SS**  cis-162171.1-26.919.30000108.5
660K31.9Very low30.1Very low166 Ų166127.6 Ų127.672%0.72271%0.706SS**  trans81.9131.5169.3-55.7179.7-175.6174.30113.8
661N31.1Very low30Very low141 Ų141127.3 Ų127.375%0.75471%0.71SS**  cis-146.4161.8-4.5-87.3-25000106.9
662T32.8Very low29.6Very low116 Ų116131.6 Ų131.671%0.71272%0.718SS**  cis-153.617411.5-14.20000110.4
663T31.9Very low29.7Very low122 Ų122134.6 Ų134.675%0.74873%0.726SS**  trans64.3101.4161.935.30000120.2
664T30.4Very low29.4Very low119 Ų119136.6 Ų136.673%0.7372%0.723SS**  trans70.685.7136.8520000122.4
665T29.8Very low29.4Very low107 Ų107139.5 Ų139.566%0.65672%0.722SS**  48.3135.2114.258.30000121.5
666Y28.5Very low29.3Very low197 Ų197137 Ų13777%0.77372%0.717SS**  cis-161.1118.1-0.6-108.1-56.9000112
667T28.2Very low29.4Very low107 Ų107138.7 Ų138.766%0.65672%0.718SS**  trans37.712713759.50000125
668T30.6Very low29.3Very low113 Ų113141.3 Ų141.369%0.69373%0.731SS**  trans60.1116.8133.759.90000120.7
669D27.6Very low29.2Very low146 Ų146139 Ų13978%0.78174%0.735SS**  86.9137.669.5-77-53.3000114.2
670C27.4Very low29.2Very low108 Ų108141.2 Ų141.273%0.7374%0.742SS**  cis-158.1-178.10.6-139.90000112.6
671V25.7Very low29.3Very low132 Ų132138 Ų13880%0.874%0.741SS**  trans84.6129.2168.5-1700000119.6
672K29Very low29.4Very low195 Ų195138.8 Ų138.885%0.84875%0.745SS**  trans-8.8113170-64.2177178.3174.30119.8
673L29Very low29.4Very low163 Ų163136.4 Ų136.485%0.85374%0.744SS**  -164.5134.7126.6-94.4161.9000105.9
674Y24.2Very low29.4Very low204 Ų204135.3 Ų135.380%0.873%0.733SS**  45130.393.6-115.6-80.7000116.3
675N30.6Very low29.5Very low132 Ų132136.3 Ų136.371%0.70673%0.734SS**  trans80.486.9170.4-64-27.5000120.4
676D25.1Very low29.6Very low118 Ų118134.4 Ų134.463%0.63173%0.725SS**  77.3140.1103.4-103.733000124.5
677K32.4Very low29.9Very low162 Ų162127.8 Ų127.870%0.70471%0.705SS**  trans74.9104.1157.3-65.8174.3175.774.40116.4
678I28.4Very low29.9Very low150 Ų150128.7 Ų128.777%0.76971%0.706SS**  67.1118.958.7-55.2161.4000111.9
679T29Very low29.9Very low123 Ų123132.8 Ų132.876%0.75571%0.71SS**  trans-132.3108.3152.849.40000110
680N29Very low30.1Very low144 Ų144131.1 Ų131.177%0.7771%0.705SS**  trans75.4147.8145.7-48-10.8000117.4
681S35.1Very low30.2Very low98 Ų98133.5 Ų133.569%0.68571%0.71SS**  cis-140.8129.99.454.80000115
682N33.1Very low30.3Very low158 Ų158130.9 Ų130.985%0.84571%0.71SS**  trans73.2149141.1-554.7000120
683G32.6Very low30.5Very low66 Ų66125.3 Ų125.368%0.6871%0.708SS**  trans-83.5-162.5-168.400000116.1
684N31.4Very low30.5Very low100 Ų100125.8 Ų125.854%0.53571%0.712SS.*  cis-139.8117.618.3-81.5-42.5000113
685N33.8Very low30.8Very low140 Ų140127.5 Ų127.575%0.74972%0.717SS**  trans-169.5155.2169.4-113.8-108000107.4H707N685-H707 WeakPolarHBondContact CA-NE2 3.49Å; N685-H707 PolarHBondContact N-NE2 3.22Å
686S30.9Very low30.9Very low66 Ų66131.9 Ų131.946%0.46273%0.725SS.*  cis-159.7-177.5-17.2-105.40000108.6N706S686-N706 PolarHBondContact OG-ND2 2.77Å; S686-N706 PolarHBondContact OG-OD1 2.73Å
687V34.2Very low31.2Very low58 Ų58134.3 Ų134.335%0.35274%0.735SS.*  trans-105.2149-165.2147.40000117.3N706V687-N706 WeakPolarHBondContact CB-OD1 3.24Å; V687-N706 PolarHBondContact N-OD1 2.99Å
688N29.6Very low30.9Very low126 Ų126135 Ų13567%0.67475%0.745SS**  trans61127.7156.2-77.9-13.5000123.6
689Y29.7Very low31Very low199 Ų199136.2 Ų136.278%0.7875%0.748SS**  trans62.396.4142.4-79.5-93000122.5
690V31.6Very low31.2Very low111 Ų111138.2 Ų138.267%0.67375%0.748SS**  53.2118.9109.71780000120.6
691N29.5Very low31.3Very low158 Ų158138.2 Ų138.285%0.84575%0.748SS**  trans58.1145.2155.7-61.2-15.5000118.8
692G29.2Very low30.9Very low77 Ų77138.7 Ų138.779%0.79475%0.746SS**  cis115.6120.27.400000112.6
693G32.1Very low30.9Very low79 Ų79137.6 Ų137.681%0.81474%0.74SS**  trans116.4113.7164.300000116.7R695G693-R695 PolarHBondContact O-N 2.96Å
694N29Very low30.8Very low173 Ų173141.8 Ų141.893%0.92574%0.742SS**  trans-67.7109.4173.1-79.9-20.7000112.4
695R31.6Very low30.8Very low240 Ų240141.7 Ų141.791%0.90675%0.745SS**  trans-146.6129.6150.9-83-167.8-72.7169.7-3.6109.7G693G693-R695 PolarHBondContact O-N 2.96Å
696Y31.5Very low30.5Very low224 Ų224138.7 Ų138.788%0.87873%0.73SS**  trans-75.1161.7173.2-92.1-92000112.1
697M30.8Very low30.5Very low169 Ų169140.1 Ų140.183%0.83373%0.729SS**SBendtrans72.761171.8-48.2-53.1-81.900117.2
698L27.7Very low30.4Very low177 Ų177140.2 Ų140.293%0.92774%0.742SS**  -154.1156.399.8-141.572.5000111.2
699Q29.6Very low30.7Very low175 Ų175139.8 Ų139.882%0.81874%0.743SS**  trans-109.6137.1-166-169.2113.8-400112.2
700Q32.5Very low30.7Very low164 Ų164137 Ų13777%0.76674%0.742SS**  trans140.5118133.1-74.1-163.417.500115.9
701L31.3Very low30.7Very low145 Ų145139.7 Ų139.776%0.75975%0.747SS**  trans57.5158.2152.7-71.483.5000121.1
702T27.9Very low30.5Very low108 Ų108136.3 Ų136.366%0.66374%0.736SS**  167.1155.9-59.3430000110.5
703N32.7Very low30.8Very low134 Ų134142.2 Ų142.272%0.71774%0.74SS**  trans87.5137.4168-55.1-6.9000116.9
704Q30.4Very low30.3Very low155 Ų155143.2 Ų143.272%0.72473%0.734SS**  cis85.6144.842-70.9175.8-4.200113.4
705T30.7Very low30.5Very low97 Ų97146.8 Ų146.860%0.59574%0.736SS**  cis-171.2174.76.328.90000107.8
706N28.5Very low30.3Very low78 Ų78141.1 Ų141.142%0.41772%0.72SS.*  cis-164.4153.6-11.9-113-2.9000112.5S686 V687S686-N706 PolarHBondContact OG-ND2 2.77Å; S686-N706 PolarHBondContact OG-OD1 2.73Å; V687-N706 WeakPolarHBondContact CB-OD1 3.24Å; V687-N706 PolarHBondContact N-OD1 2.99Å
707H31.6Very low30Very low95 Ų95135.7 Ų135.744%0.4471%0.711SS.*  trans61.1160.1160.4-86-85.6000122.6N685N685-H707 WeakPolarHBondContact CA-NE2 3.49Å; N685-H707 PolarHBondContact N-NE2 3.22Å
708G31.4Very low30.2Very low61 Ų61131.8 Ų131.863%0.62970%0.698SS**  cis164.6167.5-1100000116.6
709V35.1Very low30Very low116 Ų116128.9 Ų128.970%0.70368%0.678SS**  trans75.7153.6164.81670000119.1
710D31Very low29.7Very low140 Ų140123.7 Ų123.775%0.74966%0.658SS**  cis-169.2-163.4-47.9-139.7-78.1000112.5
711E30Very low29.2Very low168 Ų168120.6 Ų120.679%0.78565%0.654SS**  trans79.791163.6-71-143.3137.700124.3
712S27Very low29.1Very low87 Ų87120.4 Ų120.461%0.60865%0.653SS**  80.5152.3115.593.30000125.6
713K33.5Very low28.9Very low201 Ų201119.7 Ų119.787%0.87465%0.652SS**  trans83.6158.1160.5-69.1171.8-174.8166.90120.3
714S23.3Very low28.9Very low101 Ų101123.8 Ų123.871%0.70666%0.657SS**  trans-149.5147.2-154.755.80000113.2
715Y32.4Very low29Very low247 Ų247122.3 Ų122.397%0.96966%0.659SS**  trans-158.1164146.3-94.4-65.2000109.2
716E26.4Very low29.3Very low121 Ų121122.9 Ų122.957%0.56566%0.664SS**  trans-136.9153.3-161.7-152.7-178-164.300114.1V306V306-E716 WeakPolarHBondContact CG2-OE1 3.33Å
717T27.2Very low29.2Very low110 Ų110127.3 Ų127.368%0.67568%0.683SS**  trans73.6161.7166.578.50000117.4
718P34.5Very low29.2Very low87 Ų87129.7 Ų129.757%0.56570%0.699SS**  cis-141.3173.2-47.136.2-19000116.2
719K22.7Very low29Very low116 Ų116130.5 Ų130.550%0.50470%0.695SS.*  trans94.9132.4150.8-55.6-156.3174.9-164.90122.7L301 A302L301-K719 HydrophobicContact CB-CD 3.97Å; L301-K719 HydrophobicContact CD2-CB 3.92Å; L301-K719 HydrophobicContact CD2-CD 3.49Å; L301-K719 VanDerWaalsContact CD2-CD 3.49Å; L301-K719 HydrophobicContact CD2-CG 4.3Å; L301-K719 HydrophobicContact CG-CD 4.34Å; L301-K719 WeakPolarHBondContact O-CD 3.3Å; L301-K719 WeakPolarHBondContact O-CE 3.3Å; L301-K719 PolarHBondContact O-NZ 2.66Å; A302-K719 HydrophobicContact CB-CB 4.08Å; A302-K719 HydrophobicContact CB-CG 4.29Å; A302-K719 WeakPolarHBondContact O-CD 3.26Å; A302-K719 WeakPolarHBondContact O-CE 3.33Å; A302-K719 WeakPolarHBondContact O-CG 3.48Å
720V24.1Very low28.9Very low67 Ų67136.5 Ų136.541%0.40671%0.705SS.*  trans73.7106.8155-177.40000120.6L301 A302L301-V720 VanDerWaalsContact CA-CG2 3.48Å; L301-V720 HydrophobicContact CB-CG2 4.34Å; L301-V720 HydrophobicContact CD2-CG2 3.88Å; L301-V720 HydrophobicContact CG-CG2 4.02Å; A302-V720 HydrophobicContact CB-CB 4.32Å; A302-V720 HydrophobicContact CB-CG2 3.49Å; A302-V720 VanDerWaalsContact CB-CG2 3.49Å
721S22Very low28.6Very low98 Ų98137.3 Ų137.369%0.68571%0.706SS**  trans71.8-176.6143.880.50000120.3
722I28.1Very low28.6Very low142 Ų142133.5 Ų133.573%0.72870%0.703SS**  trans69.977.4167-61.4157.1000116.1
723S24.8Very low28.8Very low93 Ų93136.9 Ų136.965%0.6571%0.713SS**  75.9169.5123.7850000120.8
724R31.9Very low28.6Very low219 Ų219136.5 Ų136.583%0.82671%0.712SS**  trans54.198.3151.3-71.8174.3179-175.1-0.6117.8P726R724-P726 VanDerWaalsContact O-CD 3.24Å; R724-P726 WeakPolarHBondContact O-CD 3.39Å
725T32.2Very low28.8Very low125 Ų125136.8 Ų136.877%0.76771%0.714SS**  -26.7129.8123.946.40000114
726P38.1Very low28.6Very low108 Ų108132.3 Ų132.370%0.70171%0.706SS**  -110.3127.7123.332-28.6000107.5R724R724-P726 VanDerWaalsContact O-CD 3.24Å; R724-P726 WeakPolarHBondContact O-CD 3.39Å
727E26.4Very low28.7Very low171 Ų171132.5 Ų132.580%0.79972%0.716SS**  cis36.598.138.5-78.5-148.7133.800113.3
728N32.1Very low28.8Very low146 Ų146136.6 Ų136.678%0.78172%0.724SS**  trans-151104.7132.9-111.7-66.7000112.1
729S25.2Very low28.4Very low77 Ų77139.9 Ų139.954%0.53873%0.732SS.*  trans-49.2129.1153.549.30000112.2
730R33.7Very low28.4Very low242 Ų242143.8 Ų143.891%0.91375%0.752SS**  trans-126.7107.9145.8-80-174.5170.4162.3-2.1106.9
731M25.7Very low28.5Very low158 Ų158148.3 Ų148.378%0.77877%0.766SS**  cis63.878.530.9-156.3-153-61.200112.4
732A29.8Very low28.8Very low88 Ų88154 Ų15473%0.72777%0.774SS**  trans-167.4143.5161.600000108.4
733L29.7Very low28.8Very low157 Ų157152.1 Ų152.182%0.82277%0.774SS**  cis-161.6125.5-10.5-121.5172000109.4
734K29.3Very low28.8Very low194 Ų194156.7 Ų156.784%0.84379%0.785SS**  trans-179.3141.8130.9-101.6164.2-176.3179.20111.5
735S29.2Very low28.6Very low107 Ų107154.9 Ų154.975%0.74878%0.783SS**  trans50.6130.317055.40000119.5
736L28.1Very low28.4Very low153 Ų153155.7 Ų155.780%0.80178%0.782SS**  cis178134.4-35.4-111.2161.9000106
737T27Very low28.2Very low125 Ų125159.5 Ų159.577%0.76779%0.788SS**  trans66152-178.181.20000114.2
738K30.3Very low28.5Very low196 Ų196156.2 Ų156.285%0.85278%0.782SS**  cis-123.4136.29.3-65.5174.7178.8179.50111.7
739E26.1Very low28.1Very low155 Ų155155.4 Ų155.472%0.72478%0.777SS**  trans-73.7157.5149.1-63.8-178.2134.100108.9K741E739-K741 PolarHBondContact O-N 3.39Å
740E22.9Very low28.1Very low198 Ų198158.3 Ų158.393%0.92579%0.787SS**  trans-70.9122.1154.1-70.1-171.4118.800109.6
741K27Very low27.9Very low163 Ų163155.1 Ų155.171%0.70978%0.782SS**  trans-130.9112.6158.2-86.5-169.3179176.50111E739E739-K741 PolarHBondContact O-N 3.39Å
742Y26.6Very low28.1Very low217 Ų217152.9 Ų152.985%0.85177%0.772SS**  trans66.9157142-86.9-98.7000120.3
743S28.6Very low28.2Very low103 Ų103154.4 Ų154.472%0.7277%0.768SS**  trans69.584.6156.9-59.10000117.5
744Q24.4Very low28.4Very low189 Ų189154.6 Ų154.688%0.88376%0.764SS**  -12.2126.7123.6-60.3166.6-23.600114.2
745K28.2Very low28.6Very low181 Ų181150.8 Ų150.879%0.78776%0.757SS**  -177.2143.7122.9-103.5175.9179.2177.30113.5
746N28.1Very low28.7Very low141 Ų141154.9 Ų154.975%0.75476%0.762SS**  trans64.2127.2142.5-60.21.5000121.6
747K33.1Very low28.7Very low188 Ų188157.4 Ų157.482%0.81776%0.761SS**  trans-45.2160.5140.5-74.4-174.1175.1-168.40111.9
748P33.9Very low28.8Very low103 Ų103158 Ų15867%0.66976%0.759SS**  cis-147.2-179.339.834.7-10.1000117.6
749D24Very low28.4Very low128 Ų128153.7 Ų153.768%0.68475%0.753SS**  10.8146.2120.3-21.6-39.7000117
750D24.5Very low28.4Very low139 Ų139155.4 Ų155.474%0.74376%0.757SS**  cis-142.9169.84.2-101.3-49.4000108.7
751E30.4Very low28.5Very low175 Ų175153.6 Ų153.682%0.81875%0.753SS**  -177.6145.288.2-83.7-170.4134.100108.3
752I30.2Very low28.4Very low110 Ų110150.7 Ų150.756%0.56475%0.754SS**  70.9119.654-61.5172.3000110.8
753N31.2Very low28.3Very low120 Ų120148.2 Ų148.264%0.64276%0.755SS**  cis-132.4174.31.6-77.2-63.5000109.2
754H33.6Very low28.2Very low162 Ų162146.8 Ų146.875%0.7576%0.757SS**  cis-147.5160.620.4-80.7-79.6000108.3
755T33Very low28.4Very low113 Ų113146.8 Ų146.869%0.69376%0.757SS**  cis-157.1143.510.73.10000110.2
756K31.5Very low28.5Very low194 Ų194145 Ų14584%0.84376%0.755SS**  trans55.3115.4157.8-70.8-172.7177.1-175.80118
757R28.3Very low28.5Very low206 Ų206146.3 Ų146.378%0.77776%0.756SS**  cis53.7133.924.3-68.3-170.7-166.3139.10.9113.9
758D28.1Very low28.3Very low136 Ų136143 Ų14373%0.72775%0.751SS**  cis-157.4-167.27.4-132.6-51.8000113.9
759C23.8Very low28.2Very low107 Ų107143.5 Ų143.572%0.72375%0.749SS**  trans-86.7171-166.5-54.60000117.7
760K26.2Very low28.6Very low190 Ų190143.6 Ų143.683%0.82675%0.749SS**  trans96.5119.8153.4-68.2-177.2176.4176.90121.6
761L24.3Very low28.9Very low160 Ų160142 Ų14284%0.83874%0.744SS**  trans78.8140.4137.8-68.9165.9000122.2
762S24.4Very low28.9Very low103 Ų103139.5 Ų139.572%0.7274%0.736SS**  trans82.7129.3164.276.10000120.9
763N24.5Very low29Very low164 Ų164142.1 Ų142.188%0.87774%0.744SS**  trans59.7148.1148.2-57.9-6.7000122.4
764G27.7Very low29Very low73 Ų73142.7 Ų142.775%0.75375%0.745SS**  trans83.4121.1-179.200000112.8
765Q27.4Very low28.8Very low189 Ų189140.2 Ų140.288%0.88374%0.736SS**  cis75.6138.923.6-145.2-178.213.500115.1
766I29.6Very low28.6Very low145 Ų145139.4 Ų139.474%0.74474%0.735SS**  trans78.290.5175.7-51-178.6000114.3
767H28.1Very low28.5Very low167 Ų167137.7 Ų137.777%0.77374%0.736SS**  67.7106.7102.3-97.6-44.9000115.2
768T30.7Very low29Very low119 Ų119133.6 Ų133.673%0.7374%0.735SS**  170.117594.440.60000108.5
769N30.9Very low29.1Very low114 Ų114135.3 Ų135.361%0.6174%0.743SS**  cis-172.9169.3-26.9-88.7-5.6000106
770N31.6Very low29.4Very low130 Ų130134.8 Ų134.870%0.69574%0.74SS**  cis-170.8157.7-33.1-91.9-15.2000107.8
771V32Very low29.8Very low105 Ų105137.5 Ų137.564%0.63675%0.745SS**  cis-173.5157.6-25.670.10000108.8
772N30.8Very low30Very low123 Ų123135.1 Ų135.166%0.65874%0.742SS**  trans68161161.1-69.9-28.6000119.9
773K30.9Very low30.3Very low165 Ų165139.2 Ų139.272%0.71775%0.752SS**  cis-170.6153-31.9-110.6177.4178.1-175.70110.2
774I31.2Very low30.6Very low131 Ų131137 Ų13767%0.67274%0.744SS**  trans49.7122.9139.2-64171.6000119.4
775I30.3Very low30.8Very low110 Ų110143.5 Ų143.556%0.56475%0.752SS**  74.9140.560.7-69.4169.1000112.5
776S28.6Very low30.8Very low97 Ų97141.5 Ų141.568%0.67875%0.746SS**  cis-133.7-121.319.962.60000115.8
777N29.5Very low30.9Very low158 Ų158141.4 Ų141.485%0.84575%0.747SS**  trans-164.3148.2-172.4-124.710.8000110.6
778P38.6Very low31Very low119 Ų119138.2 Ų138.277%0.77374%0.744SS**  trans-127.9151.817939.9-27.5000116.9
779I30.9Very low30.9Very low173 Ų173139.4 Ų139.489%0.88775%0.745SS**  trans-138.1141.6155.4-67.3-171.7000110.5
780S29.6Very low31Very low95 Ų95138.4 Ų138.466%0.66474%0.743SS**  trans-67.6155-169.259.50000118.4
781R34.7Very low31Very low248 Ų248134.9 Ų134.994%0.93673%0.728SS**  -166.5168.7101.2-100.2171.7-171.2-171.52.6111.9
782S28.5Very low30.9Very low109 Ų109135.3 Ų135.376%0.76272%0.723SS**  trans-127.9144.1-158.6550000114.7
783M30.1Very low30.9Very low190 Ų190135.8 Ų135.894%0.93673%0.725SS**  trans-158.2156.8144.8-105.3-59.4-177.900109.2
784T30.7Very low30.9Very low116 Ų116131.3 Ų131.371%0.71272%0.719SS**  trans-128.8130.5-160.8-37.20000113.2
785K31.9Very low31Very low210 Ų210128.9 Ų128.991%0.91371%0.706SS**  trans-160.5153.4147.3-110.7165.5-175.5-179.60109.8
786L28.3Very low30.9Very low147 Ų147131.3 Ų131.377%0.7772%0.721SS**  trans-130.9171-167.2-82.7167.3000111.6
787N31.1Very low30.9Very low143 Ų143131.8 Ų131.877%0.76572%0.724SS**  trans81.6122.4175.6-49.2-7.5000114
788S29.6Very low31Very low100 Ų100130.4 Ų130.470%0.69972%0.717SS**  cis81.5136.529.686.10000114.4
789L28.3Very low30.8Very low145 Ų145128.8 Ų128.876%0.75970%0.701SS**  cis-169169.7-2.8-118.2173.9000109.2
790T34.3Very low30.9Very low93 Ų93127.4 Ų127.457%0.57169%0.689SS**  trans53.5-177.5154600000119.7E792T790-E792 WeakPolarHBondContact CA-OE2 3.49Å; T790-E792 WeakPolarHBondContact CB-OE2 3.5Å; T790-E792 VanDerWaalsContact CG2-OE2 3.25Å; T790-E792 WeakPolarHBondContact CG2-OE2 3.41Å
791P31.2Very low31.1Very low56 Ų56128.5 Ų128.536%0.36468%0.684SS.*  cis-106.1176.3-28.37.215.5000112.7N802P791-N802 WeakPolarHBondContact CA-OD1 3.37Å; P791-N802 WeakPolarHBondContact CB-OD1 3.37Å; P791-N802 WeakPolarHBondContact CD-OD1 3.48Å; P791-N802 WeakPolarHBondContact CG-OD1 3.4Å; P791-N802 PolarHBondContact O-OD1 3.48Å
792E29.1Very low30.9Very low114 Ų114120 Ų12053%0.53366%0.657SS.*  cis96.4145.411.6-69.277.6-98.400120.1T790 N802T790-E792 WeakPolarHBondContact CA-OE2 3.49Å; T790-E792 WeakPolarHBondContact CB-OE2 3.5Å; T790-E792 VanDerWaalsContact CG2-OE2 3.25Å; T790-E792 WeakPolarHBondContact CG2-OE2 3.41Å; E792-N802 PolarHBondContact N-OD1 3.05Å; E792-N802 PolarHBondContact O-ND2 3.41Å; E792-N802 PolarHBondContact O-OD1 3.1Å
793D31.4Very low30.9Very low132 Ų132125.4 Ų125.471%0.70666%0.661SS**  trans62126.7164.3-60.2-29.5000126.5E801D793-E801 PolarHBondContact O-N 3.4Å
794A31.4Very low31.1Very low71 Ų71121.7 Ų121.759%0.58765%0.65SS**  trans-160.1105.5163.800000115E801A794-E801 HydrophobicContact CB-CG 4.49Å
795I34.1Very low30.8Very low80 Ų80121.3 Ų121.341%0.4165%0.653SS.*SBendtrans42.1126.1143.4-2.6177.8000120N799 F800I795-N799 WeakPolarHBondContact CG2-OD1 3.33Å; I795-F800 HydrophobicContact CD1-CE2 4.1Å; I795-F800 HydrophobicContact CD1-CZ 4.27Å
796N26.9Very low30.6Very low162 Ų162116.7 Ų116.787%0.86665%0.647SS**SBendcis-107.3149.73.5-59.2-75.1000110.9
797S28.4Very low30.5Very low106 Ų106113.6 Ų113.674%0.74164%0.642SS**SBendcis-89.2139.5-0.549.50000112.8
798D32.7Very low30.5Very low130 Ų130115.1 Ų115.170%0.69564%0.642SS**SBendtrans64.970161.2-58.9-33.6000120.1
799N32.8Very low30.5Very low84 Ų84116.6 Ų116.645%0.44964%0.642SS.*  65.3102.6110.4-73-61.7000120.1I795I795-N799 WeakPolarHBondContact CG2-OD1 3.33Å
800F33.8Very low30.3Very low144 Ų144116.8 Ų116.863%0.63264%0.643SS**  trans79.592.1147.9-70.4-77.6000122I795I795-F800 HydrophobicContact CD1-CE2 4.1Å; I795-F800 HydrophobicContact CD1-CZ 4.27Å
801E33.3Very low29.9Very low118 Ų118117.9 Ų117.955%0.55165%0.65SS**  46.2109.9109.4-67.5-163.1118.300120.7D793 A794D793-E801 PolarHBondContact O-N 3.4Å; A794-E801 HydrophobicContact CB-CG 4.49Å
802N30.1Very low29.7Very low71 Ų71120.5 Ų120.538%0.3867%0.665SS.*  53.4119.5112.7-74.6-32.2000124.3P791 E792P791-N802 WeakPolarHBondContact CA-OD1 3.37Å; P791-N802 WeakPolarHBondContact CB-OD1 3.37Å; P791-N802 WeakPolarHBondContact CD-OD1 3.48Å; P791-N802 WeakPolarHBondContact CG-OD1 3.4Å; P791-N802 PolarHBondContact O-OD1 3.48Å; E792-N802 PolarHBondContact N-OD1 3.05Å; E792-N802 PolarHBondContact O-ND2 3.41Å; E792-N802 PolarHBondContact O-OD1 3.1Å
803R29.5Very low29.8Very low222 Ų222121.1 Ų121.184%0.83867%0.672SS**  trans86.5156.3138.1-78.2-166.5164.9-166.7-3.3119.9
804P33.7Very low29.7Very low111 Ų111120.5 Ų120.572%0.72167%0.669SS**  trans-129.4173.1-145.543.4-28.9000115.4
805S25.2Very low29.7Very low108 Ų108123.4 Ų123.476%0.75568%0.679SS**  152.5165.1120.7620000113.3
806S27Very low29.5Very low113 Ų113127.3 Ų127.379%0.7970%0.695SS**  trans75.2131.917683.50000117.9
807A26.5Very low29.7Very low82 Ų82124.1 Ų124.168%0.67869%0.686SS**  trans66.8143.5139.100000121.9
808K31.7Very low29.9Very low175 Ų175128.2 Ų128.276%0.76169%0.69SS**  trans76.5134.5151.2-73.6172.4-178.5179.50119.8
809D28.4Very low29.8Very low132 Ų132127.1 Ų127.171%0.70669%0.693SS**  4893.7129.9-42-24.3000115.6
810L24.6Very low29.4Very low148 Ų148129.6 Ų129.678%0.77571%0.711SS**  42.9114.784.6-75.1169.1000113.9
811T25.7Very low29.1Very low117 Ų117129.7 Ų129.772%0.71872%0.718SS**  trans70.2146.3142.3630000117.7
812T27.6Very low29Very low111 Ų111130.4 Ų130.468%0.68173%0.73SS**  cis-162.8-145-9.922.10000105.6
813N30.7Very low28.8Very low127 Ų127131.9 Ų131.968%0.67975%0.746SS**  trans95.5136.4147.1-54.4-1.9000115.9
814D29.8Very low28.6Very low119 Ų119126.3 Ų126.364%0.63674%0.741SS**  cis-157.3118.9-10.7-122.5-36.2000113.8
815V31.3Very low28.3Very low131 Ų131129.3 Ų129.379%0.79475%0.747SS**SBendtrans-156.4115.9139-172.60000103.6
816Q30.1Very low28.4Very low162 Ų162129.4 Ų129.476%0.75775%0.748SS**SBendcis-153.9124.921.5-136.4162.428.400110.7
817S30.3Very low28.5Very low95 Ų95131.5 Ų131.566%0.66475%0.749SS**  trans65.3147.1148.570.60000120.5
818K33.6Very low28.6Very low193 Ų193136.5 Ų136.584%0.83975%0.751SS**  cis-160153.5-19-119.9179.9-179.3178.30110.4
819S30.1Very low28.4Very low107 Ų107136.9 Ų136.975%0.74875%0.753SS**  trans48.5100152.259.80000120.4
820V25.2Very low28.3Very low135 Ų135133.7 Ų133.782%0.81875%0.751SS**  trans-56.1151.6141.6171.10000110.6
821N26Very low28.7Very low146 Ų146132.7 Ų132.778%0.78176%0.757SS**  161.7178.1113.6-146.7-7.7000114.7
822V31.4Very low29Very low134 Ų134132.3 Ų132.381%0.81276%0.759SS**  trans92140.5168.5-167.20000116.2
823S25.9Very low29.3Very low101 Ų101131.9 Ų131.971%0.70676%0.76SS**  trans-117.1-179.2-160.7-42.40000113.8
824S26.2Very low29.2Very low106 Ų106130.9 Ų130.974%0.74176%0.762SS**  trans95.6163144.983.30000120.3
825M27.1Very low28.9Very low174 Ų174132.6 Ų132.686%0.85777%0.771SS**  trans61.8114.4167.6-95.152.3173.400120
826S27.3Very low28.7Very low110 Ų110130.3 Ų130.377%0.76976%0.761SS**  trans-85.6147158.150.20000110.9
827I29.5Very low28.6Very low156 Ų156129.4 Ų129.480%0.876%0.761SS**  trans-168.8139.8156.6-107.3153.3000112.3
828Y28.2Very low28.4Very low188 Ų188129.3 Ų129.374%0.73776%0.761SS**  trans50.5122.7156.9-83.3-120000124.6
829K27.1Very low28Very low183 Ų183128.6 Ų128.680%0.79676%0.758SS**  26.4135.8127.2-59.1179.9-177.3173.80121.4
830G27.3Very low27.9Very low64 Ų64129.7 Ų129.766%0.6676%0.76SS**  trans156.6112.7135.500000117.5
831S31.7Very low27.9Very low128 Ų128130.6 Ų130.690%0.89576%0.76SS**  trans57.6155.1166.930.60000117.5
832S33.6Very low28Very low109 Ų109134.1 Ų134.176%0.76276%0.763SS**  cis-162.9154-10.639.70000106.5
833S33.3Very low27.7Very low102 Ų102133.3 Ų133.371%0.71375%0.753SS**  cis-160.7-174.4-1.7430000109.9
834C28.8Very low27.8Very low106 Ų106136.9 Ų136.972%0.71676%0.758SS**  trans-7.1135165.155.40000119.2
835N23.6Very low27.8Very low154 Ų154135.8 Ų135.882%0.82475%0.75SS**  cis70.6150.734.5-158.228.5000116
836S27.4Very low27.8Very low83 Ų83133 Ų13358%0.5874%0.743SS**  trans92.9120.8162.4-54.50000120.5
837N27.8Very low28Very low143 Ų143132.6 Ų132.677%0.76574%0.737SS**  80.399.3128.4-63.74.8000123
838S24.8Very low27.9Very low94 Ų94131.3 Ų131.366%0.65773%0.731SS**  72.2134.1110.877.80000123.6
839K25.4Very low27.8Very low177 Ų177131.7 Ų131.777%0.7773%0.733SS**  trans74158.6138.7-76.7178.8177.6-177.90120.5
840T29Very low28.1Very low131 Ų131129.6 Ų129.680%0.80473%0.729SS**  trans69.4107.5157.8360000121.6
841N25.1Very low28.3Very low154 Ų154132.7 Ų132.782%0.82473%0.731SS**  trans-10.6124.1133-60.4-22000117.3
842R27.4Very low28.2Very low219 Ų219130 Ų13083%0.82671%0.712SS**  -176.2130.8115.6-96.8-158.2145.6113.6-5.6108.2
843I25.6Very low28.1Very low117 Ų117130.4 Ų130.460%0.671%0.706SS**  76.4123.370.2-74.7177.9000112.8
844Q27.6Very low28.2Very low177 Ų177130.9 Ų130.983%0.82771%0.709SS**  trans64.3159.5162.8-77.5158.5-25.200118
845S25.8Very low28Very low82 Ų82132 Ų13257%0.57371%0.708SS**  cis-173179.9-36.853.50000108.1
846T27.2Very low28.4Very low116 Ų116129.8 Ų129.871%0.71271%0.705SS**  trans51.6137.3143.650.20000121
847T31.7Very low28.6Very low102 Ų102132 Ų13263%0.62671%0.71SS**  cis-168.8-169.9-14.317.40000105.7
848D28Very low28.7Very low129 Ų129132.6 Ų132.669%0.6971%0.706SS**  trans80.7140.3146.7-53-48.6000120.7
849Y26.9Very low28.8Very low195 Ų195136.5 Ų136.577%0.76572%0.718SS**  cis-167.5-176.4-37.8-135.9-96.4000106.6
850L33.4Very low28.9Very low139 Ų139131.5 Ų131.573%0.72872%0.717SS**  trans73.1147.6167.2-44.3-178.5000115.9
851N30.6Very low29.1Very low129 Ų129130.8 Ų130.869%0.6972%0.717SS**  cis-168.1167.4-14.4-108.36.6000108.5
852S30.1Very low29.3Very low71 Ų71129.3 Ų129.350%0.49771%0.714SS.*  cis-176.9177.7-25.252.90000110.4
853D31.3Very low29.4Very low119 Ų119126.2 Ų126.264%0.63671%0.706SS**  trans65.3156.7153.4-55.1-49.2000119.8N855D853-N855 PolarHBondContact OD1-ND2 3.24Å
854S34Very low29.6Very low112 Ų112129.2 Ų129.278%0.78371%0.711SS**  cis-130.2152.82.5-59.60000110.4
855N26.4Very low29.7Very low128 Ų128126.4 Ų126.468%0.68471%0.706SS**  cis92.4153.428.4-77.2-35.7000116.8D853D853-N855 PolarHBondContact OD1-ND2 3.24Å
856S31.4Very low30Very low109 Ų109127 Ų12776%0.76271%0.71SS**  trans73.9129.2-17665.10000116.7
857D30.7Very low30.1Very low128 Ų128126.6 Ų126.668%0.68471%0.708SS**  cis86.1145.545.9-76.5-31.6000113.5
858K29.9Very low30Very low157 Ų157129.7 Ų129.768%0.68372%0.715SS**  cis-164.6174.8-9.7-119.6173.4-168.484.30109.2
859L28.6Very low30Very low176 Ų176128 Ų12892%0.92171%0.714SS**  trans69.7155167.6-56.9133000117.2
860G26.4Very low30.3Very low72 Ų72125.2 Ų125.274%0.74271%0.712SS**  cis158.481.8-13.800000117.1
861S33.1Very low30Very low116 Ų116123 Ų12381%0.81171%0.708SS**  trans-176.1155.4168.354.70000110.7
862V30.2Very low29.8Very low123 Ų123124.8 Ų124.875%0.74571%0.712SS**  cis-158.2151-12.8122.90000108.3
863K28.1Very low29.7Very low154 Ų154126.8 Ų126.867%0.6772%0.721SS**  trans10.6142.7161-44.5175.2-175.3177.30119.8
864Y30.4Very low29.3Very low179 Ų179128.8 Ų128.870%0.70273%0.729SS**  cis-154.8132.244.4-104.8-81.6000114
865T30.8Very low28.9Very low119 Ų119130.5 Ų130.573%0.7373%0.728SS**  trans49.3139.9142.849.40000122.4
866S30.4Very low28.7Very low94 Ų94132.4 Ų132.466%0.65774%0.735SS**  cis-164.9147.4-1.243.40000113.7
867T30.5Very low28.7Very low108 Ų108134.9 Ų134.966%0.66374%0.74SS**  trans52.9106.1147.756.30000118.2
868E29.6Very low28.6Very low167 Ų167136.9 Ų136.978%0.7875%0.749SS**  80116.769.5-72.9164-178.100111.8
869S28.2Very low28.4Very low94 Ų94134.5 Ų134.566%0.65775%0.752SS**  81.5151.66795.80000111.7
870N31.4Very low28.3Very low135 Ų135133.4 Ų133.472%0.72275%0.747SS**  cis-151.6146.528.4-130.7-11.7000110.7
871S28.7Very low28.3Very low92 Ų92135 Ų13564%0.64375%0.747SS**  84.7145.3106.673.30000116
872E26.5Very low27.9Very low168 Ų168138 Ų13879%0.78575%0.753SS**  cis-168.5165.8-13.9-113.8-163.5127.900110.1
873V26.6Very low27.8Very low113 Ų113135.5 Ų135.569%0.68575%0.752SS**  trans51.6145.5138.2167.80000121.7
874M24.3Very low27.7Very low160 Ų160136.6 Ų136.679%0.78876%0.759SS**  cis-177.5-172.2-24.2-153.3-179.8-155.200109.2
875L24.7Very low27.6Very low149 Ų149132.8 Ų132.878%0.7876%0.757SS**  trans82.6173.2153.5-72.7157.6000119.9
876M22.5Very low27.2Very low168 Ų168134.3 Ų134.383%0.82876%0.759SS**  trans-139.1170.9-152.9-64.4-174.6-71.800113.6
877N31.4Very low26.9Very low161 Ų161134.9 Ų134.986%0.86176%0.763SS**  trans-24.4140.3174.5-62.8-1.1000118.5
878I29.3Very low26.6Very low169 Ų169136.3 Ų136.387%0.86777%0.765SS**  trans-132.7156.3155.8-69.8-173.5000111.2
879S24.3Very low26.2Very low107 Ų107135.3 Ų135.375%0.74876%0.763SS**  trans-75.8175.9-172.2-44.70000117.4
880N26.3Very low26Very low153 Ų153136.8 Ų136.882%0.81877%0.769SS**  trans1.3149.6148.7-72.7-11.4000122.1
881S26.8Very low25.8Very low107 Ų107137.4 Ų137.475%0.74877%0.772SS**  trans105.1141.3139.177.90000119.5
882L25.6Very low26.1Very low178 Ų178138.4 Ų138.493%0.93278%0.776SS**  trans66.2126.3171.6-65.2160.4000117.7
883G28.5Very low26.1Very low71 Ų71137.8 Ų137.873%0.73278%0.777SS**  trans8774.6178.200000114.7
884Q25.1Very low25.9Very low176 Ų176141 Ų14182%0.82278%0.784SS**  49.4124.775.3-75-79.73.800115.1
885P28.8Very low26.2Very low100 Ų100140.3 Ų140.365%0.64978%0.782SS**  cis-117.7160.1-38.435.9-22.3000110.8
886I22.8Very low26.3Very low151 Ų151139.6 Ų139.677%0.77478%0.78SS**  cis67.580.147.3-48.2179.6000114.8
887S23.3Very low26.7Very low106 Ų106135.1 Ų135.174%0.74176%0.762SS**  trans-159.9129153.149.50000109
888I23.3Very low26.4Very low138 Ų138132.7 Ų132.771%0.70875%0.748SS**  cis91.5124.245-68.1165.3000112.2
889I22.9Very low26.5Very low145 Ų145127.6 Ų127.674%0.74472%0.72SS**  trans78.1125.9157.3-81.9167.4000121.3
890T22.7Very low26.6Very low125 Ų125129.4 Ų129.477%0.76772%0.719SS**  trans52.3160.9152.160.70000124.5
891N27Very low26.8Very low149 Ų149126.5 Ų126.580%0.79771%0.711SS**  trans-51.3168.6153.7-32-45.6000112
892P35Very low27.1Very low112 Ų112127.5 Ų127.573%0.72771%0.708SS**  cis-134-172.51.542.7-25.2000115.1
893I26Very low27.4Very low155 Ų155126.9 Ų126.980%0.79570%0.7SS**  trans-2.5122.5153.9-53.7160.7000117.5
894Q23.1Very low27.3Very low180 Ų180130.4 Ų130.484%0.84170%0.702SS**  -161.9159.9118.6-117.1177.2-37.900113.7
895I30.6Very low27.6Very low146 Ų146128.5 Ų128.575%0.74970%0.696SS**  trans-127.6151.1171.7-61169.6000105.7
896D27Very low27.6Very low135 Ų135131.3 Ų131.372%0.72270%0.702SS**  trans147.6161.9153.5-80.2-17.6000111.1
897T30.6Very low27.9Very low74 Ų74130.4 Ų130.445%0.45470%0.699SS.*  cis-156.2166.2-1.73.10000109.8
898L26Very low28.3Very low110 Ų110131.9 Ų131.958%0.57670%0.704SS**  trans-144.7141.7155.6-62.3174.3000111.8N1533L898-N1533 HydrophobicContact CB-CB 4.36Å; L898-N1533 VanDerWaalsContact CB-OD1 3.32Å; L898-N1533 WeakPolarHBondContact CB-OD1 3.24Å; L898-N1533 WeakPolarHBondContact CD1-OD1 3.49Å
899Q30.6Very low28.6Very low61 Ų61129 Ų12929%0.28571%0.708SS.*  trans-123.6-160.3-168.7-32.292-64.900111.7T1532 N1533Q899-T1532 HydrophobicContact CB-CG2 3.83Å; Q899-T1532 HydrophobicContact CG-CG2 4.48Å; Q899-T1532 VanDerWaalsContact OE1-N 3.12Å; Q899-N1533 WeakPolarHBondContact O-CB 3.3Å; Q899-N1533 PolarHBondContact O-ND2 3.46Å
900M26.9Very low29Very low145 Ų145133.8 Ų133.871%0.71472%0.717SS**  cis-163.3-156.90.4-130.4158.669.500105.1T1532M900-T1532 HydrophobicContact CB-CG2 4.19Å
901S30.6Very low29.1Very low92 Ų92133.5 Ų133.564%0.64372%0.719SS**  cis-176.1163-11.242.10000106.3
902N33.7Very low29.2Very low129 Ų129129.6 Ų129.669%0.6972%0.715SS**  cis-141.6-78-2.1-137.662000112.4
903E30.3Very low28.9Very low164 Ų164130.6 Ų130.677%0.76672%0.719SS**  trans-145.2141.8-160.9-71.1159.2135.200112.8
904D27.8Very low28.8Very low146 Ų146129.6 Ų129.678%0.78172%0.72SS**  -171.8154.898.2-139.9-10.5000114.4
905I30Very low29Very low136 Ų136125.8 Ų125.870%0.69771%0.713SS**  trans40.494.3161.5-61.9148.4000120.2
906M29.6Very low29Very low158 Ų158124.5 Ų124.578%0.77872%0.717SS**  169.2142.6121.2-99.5-66-162.300115.2
907N29.2Very low28.8Very low133 Ų133122.6 Ų122.671%0.71172%0.72SS**  trans-6.5137.8152.7-74.6-26.9000119.6
908T31Very low28.6Very low137 Ų137126.1 Ų126.184%0.8474%0.741SS**  cis-156.2151.7-1.330.90000110.2
909G30.4Very low28.6Very low76 Ų76126.8 Ų126.878%0.78474%0.739SS**  trans122.398.6163.700000115.5
910R31Very low28.6Very low247 Ų247131 Ų13193%0.93276%0.762SS**  trans-38.4130.1169.9-76.2172168.8162-6.2112.5
911S24.6Very low28.4Very low118 Ų118126.7 Ų126.783%0.82574%0.741SS**  cis65.3128.238.7-161.60000113.9
912G29.8Very low28.2Very low68 Ų68126.4 Ų126.470%0.70174%0.743SS**  cis177.4-135.64.300000114.7
913T27.4Very low27.9Very low133 Ų133126.1 Ų126.182%0.81675%0.746SS**  trans-114.1-177.6-167.542.40000110.8
914V25.2Very low27.7Very low133 Ų133123.5 Ų123.581%0.80675%0.746SS**  cis-146.3-171.922.9-140.90000112.3
915S27.5Very low27.8Very low100 Ų100122.7 Ų122.770%0.69975%0.747SS**  trans-69.7157.3-176.3-44.20000116.3
916S29.5Very low27.7Very low119 Ų119120.3 Ų120.383%0.83275%0.747SS**  trans76.5155.6143.5-64.50000120.9
917A24.1Very low27.7Very low96 Ų96119 Ų11979%0.79375%0.749SS**  trans79124.6171.400000118.5
918V25.2Very low27.6Very low148 Ų148118.3 Ų118.390%0.89775%0.749SS**  trans-0.4110.8152.2-173.40000117.3
919K25.4Very low27.6Very low123 Ų123117.1 Ų117.154%0.53574%0.742SS.*  -157.6142.3121.7-158.9154.7-175.7165.90110.7M1435 N1436K919-M1435 HydrophobicContact CB-CE 3.72Å; K919-M1435 HydrophobicContact CD-CE 4.29Å; K919-M1435 HydrophobicContact CD-CG 3.98Å; K919-M1435 HydrophobicContact CG-CE 3.78Å; K919-M1435 HydrophobicContact CG-CG 4.17Å; K919-N1436 PolarHBondContact NZ-O 3.25Å
920I30.4Very low27.5Very low149 Ų149119 Ų11976%0.76474%0.738SS**  trans-81.1132.5168.5-71170.4000107.4
921E22.7Very low27.3Very low56 Ų56113.5 Ų113.526%0.26273%0.732SS.*  trans-174.1162.5132-111163-117.800116.8L1434 M1435E921-L1434 VanDerWaalsContact CD-CA 3.41Å; E921-L1434 WeakPolarHBondContact OE1-CA 3.16Å; E921-L1434 PolarHBondContact OE1-N 3.3Å; E921-L1434 WeakPolarHBondContact OE2-CA 3.03Å; E921-M1435 HydrophobicContact CB-CE 3.99Å; E921-M1435 HydrophobicContact CB-CG 3.88Å; E921-M1435 HydrophobicContact CB-SD 3.86Å; E921-M1435 HydrophobicContact CG-CG 4.38Å; E921-M1435 PolarHBondContact OE1-N 3.38Å; E921-M1435 WeakPolarHBondContact OE2-CB 3.35Å; E921-M1435 PolarHBondContact OE2-N 3.23Å
922A27.5Very low27.6Very low85 Ų85112.7 Ų112.770%0.70273%0.733SS**  trans-120.5136.1155.200000108.4
923V27.9Very low27.6Very low124 Ų124112.7 Ų112.775%0.75273%0.733SS**  trans-101.7131.7159.3173.90000107.1
924S25.6Very low27.6Very low108 Ų108114.4 Ų114.476%0.75574%0.736SS**  trans-119.2131.4-171.757.90000112.7
925T30.4Very low27.8Very low130 Ų130113.4 Ų113.480%0.79873%0.73SS**  trans-126.8116.6156.452.20000105.9
926A26.4Very low27.8Very low86 Ų86114.1 Ų114.171%0.71173%0.731SS**  57.1127.989.400000112
927T30.9Very low27.9Very low131 Ų131115.4 Ų115.480%0.80473%0.728SS**  cis-152.4-174.627.5-25.80000112.1
928T26Very low28.1Very low118 Ų118120.8 Ų120.872%0.72473%0.729SS**  trans-54.1171.6174.155.80000113.8
929T31Very low28.3Very low111 Ų111120.8 Ų120.868%0.68172%0.723SS**  cis-171.3152.241.4-28.50000112.9
930T29.5Very low28.6Very low115 Ų115120.5 Ų120.571%0.70673%0.733SS**  trans44.8113.5150.4460000124.3
931T27.2Very low28.4Very low133 Ų133120.2 Ų120.282%0.81673%0.734SS**  70.9134.9111.1-45.60000123.6
932A30.6Very low29Very low101 Ų101123.4 Ų123.484%0.83576%0.759SS**  trans76.1136.4164.300000119.3
933G29.9Very low28.9Very low68 Ų68126.6 Ų126.670%0.70176%0.764SS**  cis165.5144.5-14.400000116.1
934L27.5Very low28.8Very low169 Ų169125.6 Ų125.689%0.88576%0.763SS**  trans66.8154.7159.3-57.5175.5000117.8
935T29.5Very low28.9Very low111 Ų111131.6 Ų131.668%0.68177%0.77SS**  cis-150.2148.810.4-9.60000113.1
936T26.9Very low28.9Very low116 Ų116133.4 Ų133.471%0.71278%0.775SS**  trans45.8126.9147.954.90000122.8
937N31.5Very low29.1Very low146 Ų146136.1 Ų136.178%0.78178%0.782SS**  -157149.7102.9-117.4-37.5000114
938Y28.9Very low29.2Very low209 Ų209133.6 Ų133.682%0.8278%0.775SS**  trans60117.3174.5-84.4-88.3000121.5
939I28.8Very low29.6Very low147 Ų147133.6 Ų133.675%0.75478%0.777SS**  trans-112.1147.1152.4-62.7166.8000106.5
940P30.7Very low30.1Very low117 Ų117131.9 Ų131.976%0.7677%0.766SS**  trans-126.1162.8136.12.719.1000113.5
941N27.8Very low30.8Very low144 Ų144130.4 Ų130.477%0.7776%0.757SS**  trans-70159.2-173.2-84-16.9000115.1D943N941-D943 PolarHBondContact O-N 2.8Å
942P33.8Very low32.3Very low123 Ų123128.2 Ų128.280%0.79974%0.737SS**SBendtrans-80.294.2166.333.9-32.5000111
943D25.5Very low33.2Very low151 Ų151130.3 Ų130.381%0.80773%0.727SS**  trans-152155.3160.4-109.1-42.3000110N941N941-D943 PolarHBondContact O-N 2.8Å
944S26.2Very low35.2Very low103 Ų103132.6 Ų132.672%0.7272%0.716SS**SBendtrans69.8107-178.7-50.60000117.9
945Y27.3Very low36.9Very low234 Ų234129.3 Ų129.392%0.91869%0.694SS**  trans33.390.3141.9-61.8-83.9000120.1
946L30.5Very low38.6Very low169 Ų169131.7 Ų131.789%0.88569%0.692SS**  trans-134.3113.3148.9-92.7174.4000111.5A948L946-A948 PolarHBondContact O-N 3.34Å
947T30.7Very low40.8Very low142 Ų142128.6 Ų128.687%0.87167%0.671SS**  trans-71.690.5168.847.30000109.7
948A32.8Very low42.1Very low79 Ų79128.9 Ų128.965%0.65367%0.673SS**  trans-58.3137.4174.900000110.9L946 T950L946-A948 PolarHBondContact O-N 3.34Å; A948-T950 PolarHBondContact O-N 2.89Å; A948-T950 VanDerWaalsContact O-N 3.11Å
949P34.3Very low43.7Very low118 Ų118125.7 Ų125.777%0.76667%0.665SS**  trans-67.5113.9178.327.8-33.4000109.4T951P949-T951 VanDerWaalsContact C-N 3.34Å; P949-T951 PolarHBondContact O-N 3.33Å
950T41.7Very low45.2Very low74 Ų74121.2 Ų121.245%0.45466%0.655SS.*  trans-67.494.6172.830.80000109.1A948 F952 P966A948-T950 PolarHBondContact O-N 2.89Å; A948-T950 VanDerWaalsContact O-N 3.11Å; T950-F952 WeakPolarHBondContact O-CD2 3.31Å; T950-F952 WeakPolarHBondContact O-CE2 3.38Å; T950-F952 PolarHBondContact O-N 3.33Å; T950-P966 HydrophobicContact CG2-CB 4.31Å
951T45.5Very low46.7Very low84 Ų84120 Ų12052%0.51564%0.639SS.*PPolyproline II helixtrans-61.1127.6167.234.70000108.6P949 P966 S967P949-T951 VanDerWaalsContact C-N 3.34Å; P949-T951 PolarHBondContact O-N 3.33Å; T951-P966 WeakPolarHBondContact O-CA 3.35Å; T951-S967 PolarHBondContact O-N 2.91Å; T951-S967 PolarHBondContact O-OG 2.95Å; T951-S967 VanDerWaalsContact O-OG 3.04Å; T951-S967 PolarHBondContact OG1-OG 3.17Å
952F57.5Low48.8Very low88 Ų88114 Ų11439%0.38661%0.607SS.*EExtended strand (participates in β ladder)trans-103.4116.3175.8-74.6-91.7000108.9T950 Y954 A964 L965 P966T950-F952 WeakPolarHBondContact O-CD2 3.31Å; T950-F952 WeakPolarHBondContact O-CE2 3.38Å; T950-F952 PolarHBondContact O-N 3.33Å; F952-Y954 HydrophobicContact CB-CD2 4.3Å; F952-Y954 HydrophobicContact CB-CE1 3.95Å; F952-Y954 HydrophobicContact CB-CE2 3.7Å; F952-Y954 WeakPolarHBondContact O-CD2 3.41Å; F952-Y954 WeakPolarHBondContact O-CE2 3.22Å; F952-A964 HydrophobicContact CD1-CB 4.09Å; F952-L965 CarbonylContact C-O 3.59Å; F952-L965 VanDerWaalsContact CA-O 3.32Å; F952-L965 WeakPolarHBondContact CA-O 3.45Å; F952-P966 HydrophobicContact CD1-CB 4.06Å; F952-P966 HydrophobicContact CE1-CB 3.7Å; F952-P966 HydrophobicContact CE1-CG 4.06Å; F952-P966 HydrophobicContact CZ-CB 4.05Å
953F49.7Very low50.3Low144 Ų144110.1 Ų110.163%0.63258%0.578SS**EExtended strand (participates in β ladder)trans-76.3126.2166.1-76.2-83000108.7A964 L965F953-A964 WeakPolarHBondContact O-CA 3.33Å; F953-L965 PolarHBondContact N-O 3.46Å; F953-L965 PolarHBondContact O-N 3.22Å
954Y71.7Confident52.5Low117 Ų117104.9 Ų104.946%0.45956%0.556SS.*EExtended strand (participates in β ladder)trans-116.3130.3-174.5-65-73.6000110.3F952 F963 A964F952-Y954 HydrophobicContact CB-CD2 4.3Å; F952-Y954 HydrophobicContact CB-CE1 3.95Å; F952-Y954 HydrophobicContact CB-CE2 3.7Å; F952-Y954 WeakPolarHBondContact O-CD2 3.41Å; F952-Y954 WeakPolarHBondContact O-CE2 3.22Å; Y954-F963 WeakPolarHBondContact CA-O 3.21Å; Y954-F963 WeakPolarHBondContact CD1-O 3.39Å; Y954-A964 HydrophobicContact CD1-CB 3.45Å; Y954-A964 VanDerWaalsContact CD1-CB 3.45Å; Y954-A964 HydrophobicContact CE1-CB 3.37Å
955F63.4Low53.7Low99 Ų99104 Ų10443%0.43454%0.542SS..EExtended strand (participates in β ladder)trans-142.7146-178.642.5-88.9000110.3F963 L965F955-F963 HydrophobicContact CD2-CB 4Å; F955-F963 HydrophobicContact CE2-CB 3.65Å; F955-F963 HydrophobicContact CE2-CG 4.49Å; F955-F963 HydrophobicContact CZ-CB 4.17Å; F955-F963 PolarHBondContact N-O 3.4Å; F955-F963 PolarHBondContact O-N 2.91Å; F955-L965 HydrophobicContact CE1-CB 4.37Å; F955-L965 HydrophobicContact CE1-CD1 4.01Å; F955-L965 HydrophobicContact CE1-CG 4.12Å; F955-L965 HydrophobicContact CZ-CD1 3.76Å; F955-L965 HydrophobicContact CZ-CG 3.91Å
956Y65.8Low54.8Low161 Ų16194.8 Ų94.863%0.63151%0.511SS*.EExtended strand (participates in β ladder)trans-95.7140.4172.9-68.2-91000109.4Q961 L962Y956-Q961 VanDerWaalsContact CA-O 3.32Å; Y956-Q961 WeakPolarHBondContact CA-O 3.19Å; Y956-L962 HydrophobicContact CD1-CB 3.85Å; Y956-L962 HydrophobicContact CD1-CD1 3.94Å; Y956-L962 HydrophobicContact CD1-CG 4.33Å; Y956-L962 HydrophobicContact CD2-CD1 3.88Å; Y956-L962 HydrophobicContact CE1-CB 3.67Å; Y956-L962 HydrophobicContact CE1-CD1 3.8Å; Y956-L962 HydrophobicContact CE1-CD2 3.76Å; Y956-L962 HydrophobicContact CE1-CG 3.94Å; Y956-L962 HydrophobicContact CE2-CD1 3.73Å; Y956-L962 HydrophobicContact CE2-CD2 4.44Å; Y956-L962 HydrophobicContact CG-CD1 3.99Å; Y956-L962 WeakPolarHBondContact OH-CD2 3.36Å
957N73.4Confident55.8Low52 Ų5288.9 Ų88.928%0.27848%0.484SS..  trans-82.1174.4167.580.9-14.2000111.3E959 G960 Q961 F963N957-E959 PolarHBondContact ND2-OE2 2.99Å; N957-E959 PolarHBondContact O-N 3.2Å; N957-E959 WeakPolarHBondContact OD1-CA 3.27Å; N957-E959 WeakPolarHBondContact OD1-CB 3.33Å; N957-E959 PolarHBondContact OD1-N 3.21Å; N957-G960 PolarHBondContact O-N 3.03Å; N957-G960 PolarHBondContact OD1-N 3.38Å; N957-Q961 PolarHBondContact N-O 2.84Å; N957-Q961 WeakPolarHBondContact OD1-CB 3.45Å; N957-Q961 PolarHBondContact OD1-N 3.49Å; N957-F963 HydrophobicContact CB-CE2 4.24Å
958N57.9Low56.8Low152 Ų15288 Ų8881%0.81347%0.474SS*.THydrogen-bonded Turntrans-63.7-1.3177.8-68.3-31.9000114.9
959E62.5Low57.4Low142 Ų14286.9 Ų86.966%0.66446%0.464SS*.THydrogen-bonded Turntrans-111.64.4179.4-48.4170.1147.900111.7N957 Q961N957-E959 PolarHBondContact ND2-OE2 2.99Å; N957-E959 PolarHBondContact O-N 3.2Å; N957-E959 WeakPolarHBondContact OD1-CA 3.27Å; N957-E959 WeakPolarHBondContact OD1-CB 3.33Å; N957-E959 PolarHBondContact OD1-N 3.21Å; E959-Q961 VanDerWaalsContact C-N 3.34Å; E959-Q961 PolarHBondContact O-N 3.2Å; E959-Q961 PolarHBondContact OE2-NE2 3.31Å
960G61.1Low57.6Low53 Ų5387.9 Ų87.955%0.54646%0.463SS..SBendtrans78.98.9-178.900000115.1N957N957-G960 PolarHBondContact O-N 3.03Å; N957-G960 PolarHBondContact OD1-N 3.38Å
961Q62.6Low57.3Low91 Ų9191.3 Ų91.343%0.42548%0.477SS..  trans-83.2135.4176.8-60.6-167.558.100111.3Y956 N957 E959 F963Y956-Q961 VanDerWaalsContact CA-O 3.32Å; Y956-Q961 WeakPolarHBondContact CA-O 3.19Å; N957-Q961 PolarHBondContact N-O 2.84Å; N957-Q961 WeakPolarHBondContact OD1-CB 3.45Å; N957-Q961 PolarHBondContact OD1-N 3.49Å; E959-Q961 VanDerWaalsContact C-N 3.34Å; E959-Q961 PolarHBondContact O-N 3.2Å; E959-Q961 PolarHBondContact OE2-NE2 3.31Å; Q961-F963 HydrophobicContact CB-CE2 3.78Å; Q961-F963 HydrophobicContact CB-CZ 4.11Å
962L71.1Confident56.7Low18 Ų1893.7 Ų93.79%0.09448%0.48CS..EExtended strand (participates in β ladder)trans-105.9108.6-167.7-177.350.6000112.1Y956 R1417Y956-L962 HydrophobicContact CD1-CB 3.85Å; Y956-L962 HydrophobicContact CD1-CD1 3.94Å; Y956-L962 HydrophobicContact CD1-CG 4.33Å; Y956-L962 HydrophobicContact CD2-CD1 3.88Å; Y956-L962 HydrophobicContact CE1-CB 3.67Å; Y956-L962 HydrophobicContact CE1-CD1 3.8Å; Y956-L962 HydrophobicContact CE1-CD2 3.76Å; Y956-L962 HydrophobicContact CE1-CG 3.94Å; Y956-L962 HydrophobicContact CE2-CD1 3.73Å; Y956-L962 HydrophobicContact CE2-CD2 4.44Å; Y956-L962 HydrophobicContact CG-CD1 3.99Å; Y956-L962 WeakPolarHBondContact OH-CD2 3.36Å; L962-R1417 HydrophobicContact CD2-CB 4.24Å; L962-R1417 HydrophobicContact CD2-CG 4.22Å; L962-R1417 HydrophobicContact CG-CG 4.42Å
963F65.1Low55.4Low42 Ų4295.3 Ų95.318%0.18450%0.5CS..EExtended strand (participates in β ladder)trans-98.6164-179.3-64.4-78000112.2Y954 F955 N957 Q961 S1419Y954-F963 WeakPolarHBondContact CA-O 3.21Å; Y954-F963 WeakPolarHBondContact CD1-O 3.39Å; F955-F963 HydrophobicContact CD2-CB 4Å; F955-F963 HydrophobicContact CE2-CB 3.65Å; F955-F963 HydrophobicContact CE2-CG 4.49Å; F955-F963 HydrophobicContact CZ-CB 4.17Å; F955-F963 PolarHBondContact N-O 3.4Å; F955-F963 PolarHBondContact O-N 2.91Å; N957-F963 HydrophobicContact CB-CE2 4.24Å; Q961-F963 HydrophobicContact CB-CE2 3.78Å; Q961-F963 HydrophobicContact CB-CZ 4.11Å; F963-S1419 WeakPolarHBondContact CE1-O 3.06Å
964A72.4Confident54.6Low41 Ų4194.2 Ų94.234%0.33951%0.505SS..EExtended strand (participates in β ladder)trans-146.5121.2-175.400000109.2F952 F953 Y954F952-A964 HydrophobicContact CD1-CB 4.09Å; F953-A964 WeakPolarHBondContact O-CA 3.33Å; Y954-A964 HydrophobicContact CD1-CB 3.45Å; Y954-A964 VanDerWaalsContact CD1-CB 3.45Å; Y954-A964 HydrophobicContact CE1-CB 3.37Å
965L50.1Low52.7Low83 Ų8395 Ų9544%0.43552%0.522SS..EExtended strand (participates in β ladder)trans-114126.2169.9-74.9175.6000109.6F952 F953 F955 A969F952-L965 CarbonylContact C-O 3.59Å; F952-L965 VanDerWaalsContact CA-O 3.32Å; F952-L965 WeakPolarHBondContact CA-O 3.45Å; F953-L965 PolarHBondContact N-O 3.46Å; F953-L965 PolarHBondContact O-N 3.22Å; F955-L965 HydrophobicContact CE1-CB 4.37Å; F955-L965 HydrophobicContact CE1-CD1 4.01Å; F955-L965 HydrophobicContact CE1-CG 4.12Å; F955-L965 HydrophobicContact CZ-CD1 3.76Å; F955-L965 HydrophobicContact CZ-CG 3.91Å; L965-A969 HydrophobicContact CD2-CB 4.26Å
966P51.1Low51Low41 Ų4197.8 Ų97.827%0.26655%0.547SS..EExtended strand (participates in β ladder)trans-69.3144.5166.830.5-31.8000109.4T950 T951 F952 N968 A969T950-P966 HydrophobicContact CG2-CB 4.31Å; T951-P966 WeakPolarHBondContact O-CA 3.35Å; F952-P966 HydrophobicContact CD1-CB 4.06Å; F952-P966 HydrophobicContact CE1-CB 3.7Å; F952-P966 HydrophobicContact CE1-CG 4.06Å; F952-P966 HydrophobicContact CZ-CB 4.05Å; P966-N968 PolarHBondContact O-N 2.92Å; P966-A969 WeakPolarHBondContact O-CB 3.42Å; P966-A969 PolarHBondContact O-N 3.47Å
967S52.3Low49.4Very low46 Ų4693.3 Ų93.332%0.32255%0.549SS..G310 helixtrans-53.9-18.9-176.3-61.70000115.7T951 A969T951-S967 PolarHBondContact O-N 2.91Å; T951-S967 PolarHBondContact O-OG 2.95Å; T951-S967 VanDerWaalsContact O-OG 3.04Å; T951-S967 PolarHBondContact OG1-OG 3.17Å; S967-A969 VanDerWaalsContact C-N 3.3Å; S967-A969 PolarHBondContact O-N 2.87Å
968N52Low47.3Very low124 Ų124102.4 Ų102.466%0.66358%0.58SS**G310 helixtrans-81.6-2.8-179.5-5439.6000113.7P966P966-N968 PolarHBondContact O-N 2.92Å
969A45.4Very low45.7Very low54 Ų54103.1 Ų103.145%0.44658%0.583SS.*G310 helixtrans-85.1-2.5-173.400000115.1L965 P966 S967 I971L965-A969 HydrophobicContact CD2-CB 4.26Å; P966-A969 WeakPolarHBondContact O-CB 3.42Å; P966-A969 PolarHBondContact O-N 3.47Å; S967-A969 VanDerWaalsContact C-N 3.3Å; S967-A969 PolarHBondContact O-N 2.87Å; A969-I971 PolarHBondContact O-N 2.76Å
970L38.4Very low44.3Very low139 Ų139100 Ų10073%0.72859%0.588SS**  trans-92.368.5-179.6-68.5175.2000112
971I35.3Very low42.7Very low146 Ų146103.5 Ų103.575%0.74960%0.6SS**  trans-133.196.7168-54.7-179.6000108.7A969A969-I971 PolarHBondContact O-N 2.76Å
972F32.2Very low41.1Very low134 Ų134105.2 Ų105.259%0.58862%0.616SS**  trans-79132.1172.5-78.6-83.2000111.1E1424F972-E1424 WeakPolarHBondContact CE1-OE1 3.36Å; F972-E1424 WeakPolarHBondContact CZ-OE1 3.37Å
973P30.4Very low39.2Very low123 Ų123110.1 Ų110.180%0.79965%0.647SS**  trans-96.696.8170.234.5-29.5000111.6
974T31.9Very low37.5Very low121 Ų121114.3 Ų114.374%0.74268%0.676SS**  trans-101.290.7172.6480000112.2
975T32.8Very low35.4Very low133 Ų133117.6 Ų117.682%0.81670%0.696SS**  trans28.4107.9144.655.10000118.9
976V28Very low34.3Very low157 Ų157121.2 Ų121.295%0.95272%0.716SS**  trans-78.2129.5159.5-179.30000108.8
977G30.6Very low33.3Very low67 Ų67128.5 Ų128.569%0.69175%0.747SS**  trans-150.23.2-160.900000120.2
978R29.3Very low32.3Very low244 Ų244132.5 Ų132.592%0.92177%0.769SS**  trans-168.6137.2160.1-115.4166.4-166.5-109.6-0.6113.4
979L26.1Very low31.1Very low167 Ų167131 Ų13187%0.87477%0.774SS**  trans-74.2142.5157.6-92.368.3000109.3
980G31.7Very low30.3Very low75 Ų75139 Ų13977%0.77379%0.794SS**  trans-164.789174.300000108.3T982G980-T982 PolarHBondContact O-N 3.23Å
981T27.2Very low29.7Very low128 Ų128136.4 Ų136.479%0.78579%0.788SS**  trans-75.8121.6-171.148.20000112.4
982T29.3Very low29.4Very low126 Ų126132.8 Ų132.877%0.77378%0.775SS**  trans-165.5126.113125.60000111.6G980G980-T982 PolarHBondContact O-N 3.23Å
983T30.8Very low30Very low121 Ų121132.4 Ų132.474%0.74279%0.787SS**  trans41.6105.7144.7580000121.8
984V30Very low29.9Very low131 Ų131131.9 Ų131.979%0.79479%0.786SS**  trans65.9135.8131.3-160.60000120.4
985S29.4Very low29.8Very low109 Ų109131 Ų13176%0.76278%0.784SS**  trans67.1122.3159.745.20000119.9
986N26.6Very low29.4Very low160 Ų160133.7 Ų133.786%0.85679%0.785SS**  trans-62.6147.4167.7-47.3-38.6000112.1
987E29.7Very low29.7Very low193 Ų193133.6 Ų133.690%0.90278%0.778SS**  -154.8165.4127.4-122.4174.1-141.400111
988T30.9Very low30Very low130 Ų130136.7 Ų136.780%0.79878%0.784SS**  trans-101115-160.448.70000115.2
989A27.1Very low30.5Very low92 Ų92129.9 Ų129.976%0.7677%0.771SS**  trans29.1130.2143.900000121.7
990Y27.5Very low30.7Very low222 Ų222130.8 Ų130.887%0.87177%0.77SS**  trans-145.4131.1150.6-100.5-76.3000113.4
991S27.2Very low30.7Very low85 Ų85132.1 Ų132.159%0.59476%0.764SS**  trans67163.8152.7-58.40000121.6
992S28.7Very low30.8Very low70 Ų70133.7 Ų133.749%0.4977%0.767SS.*  trans-139.3178.2-170.3-28.10000111.4T1430S992-T1430 VanDerWaalsContact CB-CG2 3.45Å; S992-T1430 WeakPolarHBondContact CB-OG1 3.17Å; S992-T1430 WeakPolarHBondContact OG-CG2 3.41Å; S992-T1430 PolarHBondContact OG-OG1 3.03Å
993P44.1Very low30.8Very low127 Ų127130.7 Ų130.783%0.82576%0.761SS**  trans-121.1-177.4-148.945.5-39.1000117.4
994S28.3Very low30.8Very low111 Ų111132.9 Ų132.978%0.77677%0.769SS**  trans-165.3166.1146.664.90000108.9
995S30.2Very low30.9Very low103 Ų103131.4 Ų131.472%0.7276%0.764SS**  cis-152.9162.222.4-75.90000114.6
996F25.6Very low30.9Very low190 Ų190130.7 Ų130.783%0.83376%0.759SS**  trans-18.5148161-66.4-99.4000122
997I33.5Very low31.2Very low154 Ų154128 Ų12879%0.7975%0.753SS**  -144.8133.8125.2-62.8-170.4000111
998T36.4Very low31.4Very low133 Ų133124 Ų12482%0.81674%0.742SS**  trans-148.7146.3144.150.30000109.3
999P39.3Very low31.5Very low101 Ų101123.5 Ų123.566%0.65673%0.734SS**  trans-139.5131.8172.435.3-17.1000117.2
1000Q30.6Very low31.6Very low185 Ų185123.2 Ų123.286%0.86473%0.725SS**  trans71.5152.2134-66.1-154.9-20.100120.2
1001V31.6Very low31.8Very low104 Ų104117.4 Ų117.463%0.6372%0.716SS**  cis-158.1170.4-3.1112.90000113.1
1002N29.2Very low32Very low161 Ų161120.3 Ų120.386%0.86173%0.725SS**  trans75.1128.2172.2-70.4-27.5000118
1003G31.1Very low32Very low63 Ų63124.8 Ų124.865%0.64974%0.743SS**  cis165.3139.4-12.900000114.8
1004N30Very low31Very low167 Ų167123.6 Ų123.689%0.89374%0.738SS**  trans59.3141.3163.2-62.5-13.2000119
1005S31Very low30.9Very low99 Ų99122.8 Ų122.869%0.69273%0.732SS**  cis-162.6167.7-6.352.70000112.1
1006S31Very low30.6Very low94 Ų94123.9 Ų123.966%0.65774%0.735SS**  trans57.6102.8149.855.70000121.2
1007S31.3Very low30.6Very low104 Ų104123 Ų12373%0.72774%0.737SS**  44.6142.5116.763.40000121.1
1008T34.3Very low30.1Very low110 Ų110126.2 Ų126.268%0.67574%0.74SS**  cis-162.7139.227.2-19.10000114.4
1009N32.9Very low29.5Very low119 Ų119126.4 Ų126.464%0.63674%0.74SS**  trans49.9118.1144.3-70.67000124.7N1157N1009-N1157 PolarHBondContact O-ND2 3.01Å
1010C30.3Very low29Very low85 Ų85127.7 Ų127.757%0.57475%0.747SS**  62118.5112.3-59.10000120.9
1011C30.9Very low28.9Very low101 Ų101123.9 Ų123.968%0.68274%0.74SS**  91.6145.970.9-73.40000113.3
1012N32Very low28.6Very low146 Ų146124.1 Ų124.178%0.78175%0.746SS**  cis-158.1171.4-10.9-118.2-15000112.5
1013N28Very low28.6Very low163 Ų163122.8 Ų122.887%0.87274%0.743SS**  trans-78.3170.6-174.9-67.5-30.3000116
1014S23Very low28.4Very low103 Ų103124.7 Ų124.772%0.7275%0.746SS**  trans-93.7166.5169.465.50000114.1
1015S26.5Very low28.4Very low93 Ų93122.1 Ų122.165%0.6573%0.733SS**  trans52.5113.4141.562.90000121.3
1016T24.3Very low28.4Very low127 Ų127125.9 Ų125.978%0.77973%0.733SS**  20.1131.3128.6590000120.5
1017I25.7Very low28.3Very low170 Ų170125.3 Ų125.387%0.87272%0.72SS**  -176.8176.3118.6-95.9160.7000110.8
1018R23.3Very low28.3Very low223 Ų223124.9 Ų124.984%0.84271%0.713SS**  trans-89.3174.7-169.1-54.9176.7174.5-174.5-2.9114.6
1019T24Very low28.7Very low136 Ų136124 Ų12483%0.83471%0.709SS**  trans83.7136.1147.334.60000121.5
1020T27.9Very low28.6Very low129 Ų129125.2 Ų125.279%0.79171%0.711SS**  trans-66.7167.3171420000113.2
1021S27.6Very low28.6Very low104 Ų104127.9 Ų127.973%0.72772%0.715SS**  cis177.1164.5-4.146.40000107.9
1022C26.8Very low28.4Very low110 Ų110129 Ų12974%0.74371%0.713SS**  cis-165-137.5-1455.50000107.6
1023V28.1Very low28.2Very low132 Ų132131.9 Ų131.980%0.872%0.715SS**  trans71.8138.6173.8-175.50000115.2
1024S28.3Very low28.4Very low103 Ų103129.2 Ų129.272%0.7271%0.709SS**  cis-168.9-169.3-23.662.90000107.2
1025N28.7Very low28.7Very low114 Ų114127.2 Ų127.261%0.6170%0.704SS**  cis-162.5-171.1-3-162.862.7000109.8
1026Y30.8Very low29.1Very low178 Ų178128 Ų12870%0.69871%0.71SS**  trans73.2141.8162.8-64.6-80.6000120.6
1027E29.2Very low29.3Very low81 Ų81128.2 Ų128.238%0.37971%0.706SS.*  cis-154.6-175.4-39.7-134.2-179.5141.500112.3G1118E1027-G1118 CarbonylContact C-O 3.49Å
1028V31Very low29.4Very low96 Ų96129.5 Ų129.558%0.58270%0.701SS**  trans-130.7-146.8-149.5-143.30000115.2V1117 G1118V1028-V1117 WeakPolarHBondContact O-CG1 3.49Å; V1028-G1118 PolarHBondContact O-N 2.79Å
1029P43.8Very low29.5Very low91 Ų91123.1 Ų123.159%0.59169%0.691SS**  trans-126.7179.3-142.745.6-26.6000118.7V1117P1029-V1117 WeakPolarHBondContact O-CG2 3.37Å
1030E30Very low29.7Very low145 Ų145122.6 Ų122.668%0.67869%0.688SS**  trans-83.7128.9165.3-87.9-145.4113.900112.1
1031Q30Very low29.6Very low140 Ų140123.4 Ų123.465%0.65469%0.686SS**  63.1122.184.7-66.3-148.3110.500113.2
1032L26.7Very low29.4Very low126 Ų126125.1 Ų125.166%0.6669%0.686SS**  cis-143.6176.3-9.5-82.6176000106.8
1033Y29.5Very low29.3Very low206 Ų206127.6 Ų127.681%0.80868%0.684SS**  cis-152.4-165.49.4-129.2-25.6000106
1034S32.1Very low29.2Very low107 Ų107129.5 Ų129.575%0.74868%0.684SS**  cis-169.4156.8-9.9420000105.9
1035G29Very low29.1Very low60 Ų60127.9 Ų127.962%0.61968%0.676SS**  cis160.7158.2-2.200000111
1036S33.3Very low29Very low110 Ų110129.1 Ų129.177%0.76968%0.683SS**  trans63.4135.2171.747.60000120.1
1037N29.3Very low28.9Very low131 Ų131126.2 Ų126.270%0.70168%0.68SS**  cis-160.3149.6-2.1-106.1-9.6000115.6
1038Y27.2Very low28.9Very low197 Ų197128.9 Ų128.977%0.77370%0.697SS**  trans46.4100.6147.1-65.8-63.5000125.5
1039S26.2Very low29.1Very low90 Ų90132.9 Ų132.963%0.62971%0.709SS**  51.3129.7106.573.60000125.5
1040T27.7Very low28.5Very low124 Ų124133.9 Ų133.976%0.76172%0.717SS**  trans75.7142.6137.533.50000124.7
1041I26.6Very low28.5Very low146 Ų146136.9 Ų136.975%0.74972%0.722SS**  trans98.3121142.6-80.6163.3000121.2
1042L24Very low28.6Very low140 Ų140134.9 Ų134.973%0.73372%0.716SS**  trans43.2125.8150.7-65.8170.4000123.8
1043K24.6Very low28.8Very low163 Ų163135.7 Ų135.771%0.70972%0.72SS**  trans68.8125.7130.4-80.4-178.2173.7-173.80121.6
1044H24.9Very low28.9Very low172 Ų172132.6 Ų132.680%0.79672%0.716SS**  trans63.2146.6150.1-62.7-63.5000117.7
1045A26.7Very low28.7Very low68 Ų68132.4 Ų132.456%0.56272%0.715SS**  cis-164.6163.1-21.600000107.7
1046D26.3Very low28.6Very low141 Ų141132.8 Ų132.875%0.75472%0.718SS**  trans66.7145.4152.5-65.64.1000118.2
1047N28.8Very low28.5Very low117 Ų117137.8 Ų137.863%0.62672%0.722SS**  cis-157.4169.6-5.5-130.6-42.6000113.7
1048N28.4Very low28.3Very low136 Ų136137.2 Ų137.273%0.72773%0.728SS**  trans81.1141.4151.3-71.1-35000123.2
1049Q35.7Very low28.4Very low181 Ų181134.1 Ų134.185%0.84673%0.729SS**  trans72.666.9156.8-68.1178.117.400120.4
1050C32Very low28.7Very low112 Ų112134.9 Ų134.976%0.75773%0.733SS**  169.1123.1103.9-89.50000109.9
1051R30.7Very low28.6Very low207 Ų207136.8 Ų136.878%0.78174%0.736SS**  61126.980.9-73.6-164.6164.7-109.38.8112.9
1052D31.7Very low28.6Very low99 Ų99138 Ų13853%0.52974%0.739SS.*  cis-160146.23.9-99.1-33000111.9
1053L31.2Very low29.1Very low142 Ų142136.4 Ų136.474%0.74374%0.737SS**  trans53146.6133.1-51.2173.4000120.2
1054I31.5Very low29.3Very low142 Ų142133.2 Ų133.273%0.72874%0.735SS**  cis-157.1172.52.8-132.1164.9000112.8
1055S26.3Very low29.4Very low102 Ų102134.2 Ų134.271%0.71374%0.738SS**  trans-51.7150.5171.155.50000114.9
1056G28Very low29.5Very low68 Ų68137.7 Ų137.770%0.70175%0.746SS**  134.516473.200000108.5
1057Y31Very low29.8Very low216 Ų216138.6 Ų138.685%0.84775%0.751SS**  cis-128.9154.815.2-95.3-108.6000112V1059Y1057-V1059 HydrophobicContact CD1-CG2 4.33Å
1058S24.1Very low29.7Very low119 Ų119136 Ų13683%0.83275%0.752SS**  trans-112.5141.4147.1-68.90000108.1
1059V30.1Very low29.7Very low131 Ų131138.9 Ų138.979%0.79476%0.758SS**  trans-115.8125.2171.9-179.60000107.7Y1057Y1057-V1059 HydrophobicContact CD1-CG2 4.33Å
1060P32.5Very low29.4Very low107 Ų107137.2 Ų137.270%0.69575%0.75SS**  trans-94.4172.4-161.137.4-38.3000114.4
1061I26.5Very low29.1Very low164 Ų164138.8 Ų138.884%0.84175%0.746SS**  trans-102.5123.4163.9-61.3174.3000108.5
1062Q25.4Very low28.9Very low170 Ų170139.4 Ų139.479%0.79475%0.749SS**  trans-148.2123.7174.3-92.4-76.2-23.500108.5
1063P35.4Very low28.6Very low107 Ų107141 Ų14170%0.69576%0.762SS**  trans-128.8118.5174.935.7-20.8000114.3
1064S27.8Very low28.8Very low97 Ų97140.3 Ų140.368%0.67877%0.766SS**  trans-179.9164.615034.30000111.5
1065F28Very low28.7Very low193 Ų193137.2 Ų137.285%0.84677%0.769SS**  trans66.6106.7-177.5-53.4-76.8000114.5
1066L29.2Very low28.7Very low141 Ų141141.2 Ų141.274%0.73878%0.776SS**  cis8392.821.6-151.5164.2000114.2
1067N31Very low28.8Very low160 Ų160146.3 Ų146.386%0.85679%0.786SS**  trans60.6154.8171.1-57.4-7.8000115.9
1068G27.9Very low28.5Very low63 Ų63141.3 Ų141.365%0.64978%0.778SS**  cis154.2154.7-3.900000110.8
1069F27.6Very low28.8Very low196 Ų196142.7 Ų142.786%0.8678%0.775SS**  trans75.5129.5174.9-76-111.8000119.9
1070H30.4Very low28.7Very low146 Ų146142.5 Ų142.568%0.67677%0.77SS**  trans50.8104.4145.7-72.5-107.4000123.2
1071Q25.9Very low28.7Very low144 Ų144143.3 Ų143.367%0.67377%0.768SS**  47.4142.395.4-152.3-166.816.800120.7
1072W26.5Very low28.9Very low221 Ų221143.5 Ų143.584%0.83777%0.766SS**  trans95.6127.3167.6-67.583.2000119
1073V23.5Very low29.3Very low132 Ų132142.2 Ų142.280%0.877%0.77SS**  trans-161.9149.2176.2173.60000105.7
1074P36Very low29.2Very low127 Ų127140.2 Ų140.283%0.82577%0.768SS**  cis-119.9-178.1-13.537.7-22.5000113.6
1075G28.9Very low29.5Very low77 Ų77142.9 Ų142.979%0.79477%0.773SS**  trans-148.2119.5166.800000111.9
1076Q26.8Very low29.7Very low186 Ų186141.4 Ų141.487%0.86977%0.769SS**  trans-57.9158.9-169.9-60.9159-38.800116.4
1077I29.4Very low29.7Very low175 Ų175141.9 Ų141.990%0.89777%0.768SS**  -160.5152.4117.1-97.2151.9000109.5
1078T25.7Very low29.7Very low112 Ų112140.4 Ų140.469%0.68776%0.759SS**  trans-116.1152.1-172.549.50000112
1079L29.6Very low29.7Very low148 Ų148145 Ų14578%0.77576%0.764SS**  169.4149118.3-89156.6000115
1080D28.6Very low29.7Very low126 Ų126141.9 Ų141.967%0.67476%0.756SS**  trans76.5129145.6-64.9-18000127
1081N31.8Very low29.7Very low125 Ų125139.9 Ų139.967%0.66876%0.758SS**  trans75.481.5140-65.9-25.9000123.4
1082Q30.7Very low29.8Very low168 Ų168138 Ų13879%0.78576%0.761SS**  50152.3102.5-61.9-169.615.700122.6
1083T35.2Very low30.1Very low143 Ų143134 Ų13488%0.87776%0.761SS**  trans76.6133.1173.775.20000116.3
1084G32.6Very low30.4Very low65 Ų65134.6 Ų134.667%0.6776%0.76SS**  cis-178.5156.3-12.800000116
1085I33.6Very low30Very low152 Ų152132.9 Ų132.978%0.77975%0.751SS**  trans70.4110.4137.9-62.4175.4000119.9
1086Q32Very low29.8Very low163 Ų163136.8 Ų136.876%0.76275%0.753SS**  trans51.1160.3131-60.2176.824.500121.9
1087Q30.7Very low29.9Very low151 Ų151133.9 Ų133.971%0.70675%0.748SS**  cis-171.6161.9-33-108.4179.4900107.6
1088L29.9Very low30.1Very low129 Ų129133.4 Ų133.468%0.67574%0.743SS**  trans61116150.8-68.8163000122.1
1089Q27.4Very low30.8Very low160 Ų160133.5 Ų133.575%0.74875%0.746SS**  46.3132.4118.7-73.8-177.6-2.400120.1
1090N28.7Very low30.9Very low130 Ų130130.8 Ų130.870%0.69574%0.739SS**  cis-169173.634.8-96.4-30.7000112.7
1091S29.4Very low31.1Very low103 Ų103130.9 Ų130.972%0.7274%0.74SS**  trans45111151.956.50000120.4
1092S28.1Very low31.2Very low105 Ų105133 Ų13373%0.73475%0.746SS**  87.1110.154.273.20000116.7
1093T34.1Very low31.2Very low138 Ų138128.1 Ų128.185%0.84774%0.741SS**  trans-171.3143.5142.317.70000115.2
1094N29.3Very low30.9Very low144 Ų144127.6 Ų127.677%0.7774%0.737SS**  trans-8.7165.1147.3-60.9-32.7000122
1095S27.2Very low30.9Very low91 Ų91131.7 Ų131.764%0.63674%0.743SS**  cis178.9145.6-25.3-90.60000112.1
1096L25Very low30.7Very low158 Ų158131.7 Ų131.783%0.82774%0.743SS**  trans67.9162.6146.8-75.2164.3000123.1
1097V29.2Very low30.4Very low126 Ų126131 Ų13176%0.76474%0.74SS**  trans77.3106168.3-1650000115.5
1098M33.4Very low30.7Very low164 Ų164129.2 Ų129.281%0.80874%0.741SS**  81.814252.8-65.4-81.3164.200113.2
1099P40.5Very low30.9Very low115 Ų115127.8 Ų127.875%0.74774%0.742SS**  -157.4143.881.941.6-20.4000120.7
1100S30.5Very low30.9Very low90 Ų90124.9 Ų124.963%0.62974%0.738SS**  74.5154.2125.876.30000126.2
1101N33.1Very low31.2Very low129 Ų129124 Ų12469%0.6974%0.74SS**  trans83.4141158.1-59.2-32.6000119.2
1102Q34.8Very low31.2Very low169 Ų169128.2 Ų128.279%0.7975%0.746SS**  cis-166.3166.3-9.3-117.1167.439.900111.5
1103G31.5Very low31.5Very low66 Ų66128.5 Ų128.568%0.6875%0.745SS**  trans69.9118.2161.400000117.5
1104V28.9Very low31.2Very low132 Ų132129.6 Ų129.680%0.875%0.745SS**  cis79.4105.319.1-160.10000115.8
1105L31.3Very low31.5Very low150 Ų150128.5 Ų128.579%0.78575%0.746SS**  165.9126.6121.9-85.1177.6000115.1
1106L30.2Very low31.6Very low152 Ų152128.5 Ų128.580%0.79675%0.745SS**  trans39.5115.8140.9-56.5176000124.3
1107H25.2Very low31.8Very low148 Ų148124.4 Ų124.469%0.68573%0.727SS**  41.7141.6115.8-122.8-127000122.1
1108P37.5Very low31.7Very low114 Ų114120.2 Ų120.274%0.7471%0.709SS**  -146.9157.784.438.9-22.8000118.6
1109S33.9Very low31.5Very low99 Ų99119.3 Ų119.369%0.69271%0.707SS**  trans58.6115.3156.9-55.80000119.5
1110C27.4Very low31.2Very low99 Ų99120.4 Ų120.467%0.66971%0.705SS**  65.5128.651.5-51.90000113.1
1111P34.3Very low31Very low111 Ų111124.1 Ų124.172%0.72171%0.712SS**  -137.6133.362.4222.1000116.3
1112F30.8Very low31.2Very low193 Ų193122.7 Ų122.785%0.84671%0.71SS**  105.3157.199.7-82.3-39.7000114.3
1113P33.3Very low30.7Very low111 Ų111121.6 Ų121.672%0.72171%0.709SS**  -137.3-171.4-98.940.2-18.3000116.3
1114L29.1Very low30.4Very low160 Ų160124 Ų12484%0.83871%0.705SS**  trans-67.4155.9154.3-67.9166.1000110.2
1115P34.6Very low30.7Very low122 Ų122123.3 Ų123.379%0.79271%0.706SS**  -142.7171.990.240.2-26.3000115.5
1116S30.3Very low30.4Very low90 Ų90121.6 Ų121.663%0.62970%0.697SS**  trans-72.9-171.4172.2-19.40000113.4
1117V28.6Very low30.6Very low73 Ų73122.1 Ų122.144%0.44270%0.699SS.*  trans87134.8161.7-166.80000114.9V1028 P1029V1028-V1117 WeakPolarHBondContact O-CG1 3.49Å; P1029-V1117 WeakPolarHBondContact O-CG2 3.37Å
1118G26.4Very low30.8Very low38 Ų38124.3 Ų124.339%0.39270%0.703SS.*  trans153.483.8167.500000116.1E1027 V1028E1027-G1118 CarbonylContact C-O 3.49Å; V1028-G1118 PolarHBondContact O-N 2.79Å
1119L29.3Very low30.4Very low145 Ų145123 Ų12376%0.75970%0.697SS**  trans-28.6146.3168.4-79159.3000118
1120I35.4Very low30.2Very low137 Ų137124.5 Ų124.570%0.70370%0.697SS**SBendtrans-57.4141.7152.1-57169.3000109.4
1121Q26.2Very low30.2Very low169 Ų169127.4 Ų127.479%0.7970%0.701SS**  trans96.1164.8177-59.6-166.112.700115.7
1122P36.2Very low29.8Very low98 Ų98129.1 Ų129.164%0.63670%0.704SS**  cis-131.2147.4-19.316.76.5000115.8
1123L24.2Very low29.8Very low147 Ų147128.9 Ų128.977%0.7770%0.703SS**  46.7122.4129.4-54.9175.4000122
1124I26.4Very low29.4Very low117 Ų117130 Ų13060%0.670%0.702SS**  65.394129.8-54.4168.8000116.5N1126I1124-N1126 HydrophobicContact CG2-CB 4.21Å
1125S33.3Very low29.3Very low117 Ų117127.1 Ų127.182%0.81870%0.696SS**  -146.5116.898-69.30000107.2
1126N26.7Very low29.2Very low113 Ų113127 Ų12760%0.60469%0.693SS**  5473.951.2-67.52.4000113.5I1124I1124-N1126 HydrophobicContact CG2-CB 4.21Å
1127I33.5Very low29.2Very low163 Ų163127.7 Ų127.784%0.83670%0.698SS**  -150.3109.8106.9-94.4146.4000106.5
1128Y29.1Very low29.5Very low194 Ų194129.3 Ų129.376%0.76171%0.713SS**  77.9115.378.6-112.2-94.8000113.5
1129S29Very low29.9Very low88 Ų88132.1 Ų132.162%0.61573%0.726SS**  trans69.4158.3149.2-81.90000118.2
1130N30.5Very low30.2Very low129 Ų129131.9 Ų131.969%0.6973%0.725SS**  cis-141172.2-0.9-131.9-3.7000114.3
1131Q28.2Very low30.2Very low161 Ų161132.1 Ų132.175%0.75273%0.728SS**  trans-41.1150150.5-49.81661800110.3
1132N25.6Very low30.5Very low146 Ų146130.7 Ų130.778%0.78173%0.726SS**  trans-139.9135.5146.3-109-18.1000111.2
1133F29.4Very low30.4Very low189 Ų189130.4 Ų130.483%0.82973%0.732SS**SBendtrans-59.1136.4145.8-98.4-94.3000107.1
1134N25.6Very low30.8Very low133 Ų133129.8 Ų129.871%0.71173%0.73SS**SBendtrans73146.7178.3-43.5-38.1000115.9
1135S27.3Very low31.1Very low100 Ų100133.8 Ų133.870%0.69974%0.737SS**  trans-50175.415143.80000113.6
1136T31.5Very low31Very low121 Ų121135.2 Ų135.274%0.74274%0.735SS**  trans91.389.9175.570.80000116.9
1137S30.4Very low31.2Very low104 Ų104134.2 Ų134.273%0.72774%0.737SS**  23.2150.7121.356.40000122.9
1138S35.6Very low31.1Very low107 Ų107131.9 Ų131.975%0.74874%0.735SS**  trans77.1109.1149.261.10000121.3
1139S35.3Very low31.2Very low97 Ų97127.2 Ų127.268%0.67873%0.731SS**  79.9105.5123.3-72.90000123.3
1140D34.7Very low31.3Very low139 Ų139131.3 Ų131.374%0.74374%0.738SS**  83.8115.4114-49.1-30.7000123
1141D36.2Very low31.3Very low142 Ų142132.2 Ų132.276%0.75974%0.738SS**  trans99.1116.5131.1-89.8-1000125.7
1142N31.7Very low31.2Very low140 Ų140132 Ų13275%0.74974%0.735SS**  trans61.6110.6139.3-70.7-55.5000123
1143A35Very low31.3Very low92 Ų92130.8 Ų130.876%0.7673%0.728SS**  172.214891.900000117.4
1144N31.8Very low31.1Very low134 Ų134128.1 Ų128.172%0.71772%0.723SS**  trans79.5120.5148.6-99.6-39.1000124.4
1145R33.4Very low31.2Very low201 Ų201130.1 Ų130.176%0.75873%0.728SS**  trans81.3113.2139.8-70.5166.1-169.1-164.1-1.6123.3
1146N31.5Very low31.2Very low146 Ų146129.8 Ų129.878%0.78173%0.726SS**  64.2146128.1-58.77.6000120.7
1147S30.5Very low31.1Very low92 Ų92128.7 Ų128.764%0.64372%0.715SS**  cis-170.6149.6-16-92.10000110
1148S30.4Very low30.9Very low114 Ų114130.2 Ų130.280%0.79771%0.713SS**  trans61.1149.2157.9470000120.6
1149S31.7Very low30.5Very low97 Ų97130.3 Ų130.368%0.67871%0.713SS**  cis-171.7142.2-19.554.60000114.1
1150K31.1Very low30.2Very low174 Ų174130.7 Ų130.776%0.75772%0.716SS**  trans60.1131.8134.8-74.3179.81791760123.1
1151Q29.6Very low29.8Very low148 Ų148131 Ų13169%0.69272%0.717SS**  trans71.4159.4132.6-67.5-179.3-27.500118.3
1152K27.2Very low29.6Very low155 Ų155133.5 Ų133.567%0.67473%0.726SS**  cis-163.7166.3-18.4-119.2178.6174.5-176.20109.7
1153N27.6Very low29.4Very low122 Ų122134 Ų13465%0.65273%0.729SS**  trans59.9137.4146.8-67.413.5000122
1154N24.9Very low29.2Very low132 Ų132140.5 Ų140.571%0.70673%0.734SS**  31.2152.8127.6-54.4-0.9000123.6
1155Q27.5Very low29Very low176 Ų176138.8 Ų138.882%0.82273%0.732SS**  trans85.5138.7143.9-84.8164.1-42.700121.1
1156S27.5Very low29Very low93 Ų93135.3 Ų135.365%0.6573%0.733SS**  trans63.3111.5142.462.40000121.9
1157N29.6Very low28.8Very low97 Ų97135.5 Ų135.552%0.51974%0.735SS.*  63.5114.9114-601.3000121.3N1009N1009-N1157 PolarHBondContact O-ND2 3.01Å
1158I26.3Very low28.8Very low136 Ų136139.6 Ų139.670%0.69774%0.743SS**  48.5121.8111.5-62.3172.1000118.3
1159C27.3Very low28.7Very low109 Ų109143 Ų14374%0.73674%0.744SS**  trans68.4134.5161.3-72.70000117
1160S29Very low28.8Very low106 Ų106147.3 Ų147.374%0.74175%0.751SS**  -154.9138.554.617.50000115.5
1161L25.5Very low28.6Very low145 Ų145144 Ų14476%0.75974%0.741SS**  32.2115.5128.6-64.5148.3000118.2
1162M32.9Very low28.7Very low195 Ų195148.7 Ų148.796%0.96175%0.752SS**  -152.4158.1116.5-118.8174.1-71.600112.9
1163N27.8Very low28.7Very low151 Ų151150.6 Ų150.681%0.80776%0.755SS**  trans-97.4170.7-174.4-99.8-42.7000112
1164R30.9Very low28.6Very low228 Ų228153.7 Ų153.786%0.8676%0.763SS**  trans74.3104.4161.4-73.8173.4174.6174.7-3.1118.7
1165S26.4Very low29.1Very low97 Ų97153.7 Ų153.768%0.67877%0.768SS**  27.1123.3115.861.50000119.4
1166T33.3Very low29.1Very low128 Ų128150.4 Ų150.479%0.78576%0.756SS**  -162.314211215.20000111.8
1167D28.6Very low29.2Very low151 Ų151152.2 Ų152.281%0.80776%0.758SS**  trans28.6149.3152.6-58.8-58.3000125
1168Q30.4Very low29.3Very low177 Ų177155.9 Ų155.983%0.82778%0.777SS**  trans-62.3149169.5-49.4171.56.800111.8
1169F27Very low29.9Very low185 Ų185154.1 Ų154.181%0.81178%0.775SS**  trans-167.3152.1133.4-113-68000114.4L1171F1169-L1171 HydrophobicContact CD1-CD1 3.86Å; F1169-L1171 HydrophobicContact CE1-CD1 4.06Å
1170K34.3Very low29.9Very low188 Ų188153.6 Ų153.682%0.81777%0.772SS**  trans83.3104.6173.7-59.9164.8-176.3171.50114.1
1171L26.4Very low30.3Very low105 Ų105155.7 Ų155.755%0.5577%0.774SS.*  61.4105.351.1-63.289.1000115.3F1169 R1173F1169-L1171 HydrophobicContact CD1-CD1 3.86Å; F1169-L1171 HydrophobicContact CE1-CD1 4.06Å; L1171-R1173 HydrophobicContact CD2-CG 4.14Å
1172R32.6Very low30.9Very low246 Ų246157 Ų15793%0.92878%0.781SS**  -133.6125111.5-64.4-168-138.2-170.17.3104.6
1173R27.1Very low30.8Very low196 Ų196150.8 Ų150.874%0.7477%0.768SS**  cis52.899.636.7-76.7-161.6-175.5-172.43112.6L1171L1171-R1173 HydrophobicContact CD2-CG 4.14Å
1174F25.6Very low30.8Very low186 Ų186150.8 Ų150.882%0.81677%0.767SS**  71.897.974.7-85.5-73.7000113
1175T34.7Very low30.7Very low132 Ų132143.7 Ų143.781%0.8176%0.758SS**  trans-144.9131.3138.3480000105.7
1176N27.6Very low31Very low108 Ų108147.6 Ų147.658%0.57876%0.763SS**  cis70.5135.143-62.770.4000112.1
1177D28.9Very low30.6Very low130 Ų130146.9 Ų146.970%0.69576%0.763SS**  cis-158.9154.9-9.8-89.1-34.8000108.9
1178L32.1Very low30.7Very low174 Ų174146.3 Ų146.391%0.91177%0.765SS**  trans-159146.6151.5-121.7107.9000108.7
1179P38.8Very low30.5Very low100 Ų100147.9 Ų147.965%0.64976%0.763SS**  -139.4176.4-116.638.7-19.5000117.2
1180S27.3Very low30.5Very low98 Ų98144 Ų14469%0.68576%0.759SS**  trans55.5115.1150.363.20000120
1181L38.5Very low30.2Very low150 Ų150139.5 Ų139.579%0.78575%0.751SS**  -173.7133.8111.9-121.475.8000111.3
1182L37Very low30.5Very low171 Ų171142.5 Ų142.590%0.89576%0.764SS**  trans56.2150.6164.6-84.355.7000118
1183G30.5Very low30.2Very low66 Ų66138 Ų13868%0.6876%0.759SS**  cis176.3114.5-5.400000110.4
1184N28.8Very low30.6Very low150 Ų150134.9 Ų134.980%0.80277%0.767SS**  trans-67.3141.7-165.3-89.5-16000116.1K1186N1184-K1186 PolarHBondContact O-NZ 3.25Å; N1184-K1186 VanDerWaalsContact O-NZ 3.12Å
1185A28.7Very low31Very low80 Ų80129.2 Ų129.266%0.66176%0.761SS**  trans55.3171141.100000119.6
1186K31.8Very low30.7Very low179 Ų179132.1 Ų132.178%0.77876%0.763SS**  -175.2122.5124.1-86.8132.5-146.3127.90107N1184N1184-K1186 PolarHBondContact O-NZ 3.25Å; N1184-K1186 VanDerWaalsContact O-NZ 3.12Å
1187S25.7Very low31Very low113 Ų113133.8 Ų133.879%0.7977%0.771SS**  58.8114.867.3-167.20000111.7R1189S1187-R1189 PolarHBondContact O-N 2.65Å
1188T30.5Very low31.3Very low138 Ų138134 Ų13485%0.84777%0.771SS**  trans-83.9112.3-173.735.60000112
1189R26.8Very low31.4Very low210 Ų210132.5 Ų132.579%0.79276%0.763SS**  trans-160.8144.8141.9-111.1162.7-164-165.95.8112.6S1187S1187-R1189 PolarHBondContact O-N 2.65Å
1190S27Very low31.2Very low105 Ų105132.1 Ų132.173%0.73476%0.763SS**  trans-8.4137.5155.352.80000116.4
1191S28.6Very low31.4Very low93 Ų93133.8 Ų133.865%0.6576%0.764SS**  -175.3165.156.8-165.80000111.9
1192M31.8Very low31.2Very low167 Ų167132.8 Ų132.882%0.82376%0.76SS**  trans56.3116.4162.2-69.4143.6166.500117.6
1193N26.1Very low30.9Very low153 Ų153131.9 Ų131.982%0.81876%0.756SS**  65.4138.869.4-82.7-9.1000115.8
1194S36Very low31Very low130 Ų130137.5 Ų137.591%0.90976%0.764SS**  trans67140.2-169.877.10000114.5
1195G32.8Very low31.2Very low67 Ų67135.1 Ų135.169%0.69176%0.759SS**  cis-156.5128.9-18.900000107.8
1196K29.6Very low31.3Very low193 Ų193139 Ų13984%0.83976%0.761SS**  80.4142.468.6-164.2-173.7-176.3-176.90111.7
1197L34.1Very low31.2Very low143 Ų143140.4 Ų140.475%0.74976%0.763SS**  trans84.5137.6175.6-45.4178.1000114.8
1198I35.3Very low31.4Very low135 Ų135140.6 Ų140.669%0.69276%0.764SS**  cis-152.1156.6-4.7-122.4163.6000112.3
1199N32.7Very low31.4Very low142 Ų142137.2 Ų137.276%0.75976%0.756SS**  trans66.9149.4171.3-80.8-15.2000119.8
1200S34.8Very low31.8Very low91 Ų91137.6 Ų137.664%0.63676%0.764SS**  cis163.7137.7-26.6-910000105.2
1201N32.8Very low32.2Very low133 Ų133136 Ų13671%0.71177%0.765SS**  cis-139.1142.924.7-86.9-42.4000109.5
1202N32.9Very low32.3Very low130 Ų130139.5 Ų139.570%0.69578%0.775SS**  54.8127.587.4-65-11.8000114.2
1203N32.1Very low32.2Very low152 Ų152140.2 Ų140.281%0.81378%0.778SS**  cis-149.2167.98.8-90.9-27.9000112.4
1204H32.3Very low32.4Very low184 Ų184137.7 Ų137.785%0.85277%0.773SS**  trans-147.6147.8-175.7-148.3-21.7000113.7
1205S32.2Very low32.5Very low100 Ų100135.8 Ų135.870%0.69976%0.756SS**  trans81.7156.117087.10000115.9
1206K30.8Very low32.5Very low162 Ų162140.8 Ų140.870%0.70476%0.759SS**  cis-162.3152.534.4-137.8171-173.3175.20113.9
1207Y30.5Very low33Very low207 Ų207138.6 Ų138.681%0.81276%0.756SS**  trans60.5157.7168.3-65.4-70.1000117.8
1208S29.6Very low33Very low118 Ų118137.7 Ų137.783%0.82575%0.751SS**  cis-144.6166.65-162.10000111.5
1209G29.9Very low33Very low66 Ų66136.7 Ų136.768%0.6875%0.748SS**  trans-104.3177-16600000118.1
1210K36.8Very low33.1Very low218 Ų218139.7 Ų139.795%0.94875%0.75SS**  trans-171150.2159.4-102.4157.6-173.5175.60109.8
1211G34.7Very low33.2Very low73 Ų73138.7 Ų138.775%0.75374%0.743SS**  trans104.71814700000122.1M1213G1211-M1213 PolarHBondContact O-N 3.46Å
1212L30.3Very low33Very low166 Ų166137.5 Ų137.587%0.86974%0.736SS**  trans-77.283.7169.6-81.1176.4000112.1
1213M30.1Very low33.2Very low181 Ų181136.3 Ų136.389%0.89273%0.734SS**  trans-154.657172-162.5174.9170.700113.5G1211G1211-M1213 PolarHBondContact O-N 3.46Å
1214S30.9Very low33.7Very low101 Ų101134.4 Ų134.471%0.70672%0.723SS**SBendtrans-145.1-2.2173.160.20000116.1
1215T37Very low33.7Very low89 Ų89132 Ų13255%0.54672%0.717SS.*SBendtrans-119.928.3-169600000114.2
1216F32.3Very low33.5Very low173 Ų173133.7 Ų133.776%0.75972%0.718SS**SBendtrans-124.616.2-177.4-80.6-70000114
1217L40.5Very low33.6Very low147 Ų147134.3 Ų134.377%0.7772%0.723SS**SBendtrans-103.3-24.8-178.7-96.8156.1000114.2
1218D35.4Very low33.7Very low123 Ų123131 Ų13166%0.65872%0.724SS**SBendtrans-79.9-40.5-177.2-64.1-64.6000113.4Y1220 S1221D1218-Y1220 PolarHBondContact O-N 2.96Å; D1218-S1221 WeakPolarHBondContact O-CB 3.29Å; D1218-S1221 PolarHBondContact O-N 2.69Å; D1218-S1221 PolarHBondContact O-OG 3.47Å
1219D34.1Very low33.8Very low115 Ų115130.5 Ų130.562%0.61573%0.728SS**G310 helixtrans-64.4-24.7-175.1-77.8-40.3000114.3S1221 N1222D1219-S1221 PolarHBondContact O-N 3.25Å; D1219-N1222 PolarHBondContact O-N 3.13Å
1220Y35.7Very low33.8Very low205 Ų205130.2 Ų130.280%0.80473%0.725SS**G310 helixtrans-69.6-8.5174.3-118.5-86.9000113.6D1218D1218-Y1220 PolarHBondContact O-N 2.96Å
1221S35.5Very low33.5Very low70 Ų70128 Ų12849%0.4972%0.724SS.*G310 helixtrans-80.6-23.9178.6-580000114.1D1218 D1219D1218-S1221 WeakPolarHBondContact O-CB 3.29Å; D1218-S1221 PolarHBondContact O-N 2.69Å; D1218-S1221 PolarHBondContact O-OG 3.47Å; D1219-S1221 PolarHBondContact O-N 3.25Å
1222N29.3Very low33.8Very low107 Ų107132.6 Ų132.657%0.57272%0.718SS**THydrogen-bonded Turntrans-93.3-31.4-173.5-76.1-44.2000113.5D1219 L1224 N1225D1219-N1222 PolarHBondContact O-N 3.13Å; N1222-L1224 PolarHBondContact O-N 3.25Å; N1222-N1225 PolarHBondContact O-N 2.83Å
1223T37.1Very low34.5Very low106 Ų106133.3 Ų133.365%0.6572%0.717SS**THydrogen-bonded Turntrans-71.5-12.9-175.2-37.60000113.8
1224L42.6Very low35.5Very low112 Ų112134.5 Ų134.559%0.58672%0.717SS**THydrogen-bonded Turntrans-105.99-179.5-155109.4000114.7N1222 K1299N1222-L1224 PolarHBondContact O-N 3.25Å; L1224-K1299 VanDerWaalsContact CD2-NZ 3.35Å
1225N33.3Very low36.7Very low134 Ų134136.3 Ų136.372%0.71771%0.712SS**THydrogen-bonded Turntrans-119.1-7175.3-82-64000114.4N1222N1222-N1225 PolarHBondContact O-N 2.83Å
1226N27.7Very low38Very low135 Ų135137.4 Ų137.472%0.72271%0.711SS**  trans-126.656.1-171.3-80.9-31.1000113.7
1227Q31.7Very low40.2Very low175 Ų175131.7 Ų131.782%0.81870%0.695SS**SBendtrans-136.561.5164-72.9-162.4-0.300112.9
1228T34.1Very low42.2Very low136 Ų136124.8 Ų124.883%0.83466%0.66SS**  trans-172.2114.7140.1-71.70000107.3
1229A30.3Very low44.8Very low109 Ų109126.5 Ų126.590%0.90166%0.661SS**  trans-76.9131.7170.800000109.8
1230G30.8Very low47.5Very low59 Ų59122.3 Ų122.361%0.60864%0.64SS**  trans164.6124.9178.200000110.6R1232G1230-R1232 PolarHBondContact O-N 3.42Å
1231N30.2Very low50.3Low173 Ų173114.4 Ų114.493%0.92561%0.611SS**  trans-79.448.3-165.5-158.67.7000113.9Q1233N1231-Q1233 PolarHBondContact O-N 3.14Å
1232R41.2Very low53.1Low169 Ų169111 Ų11164%0.63859%0.588SS**  trans-74.7113.6170.5-72.7176.4168.1161.5-3.5107.8G1230 K1234 A1509 S1510G1230-R1232 PolarHBondContact O-N 3.42Å; R1232-K1234 PolarHBondContact O-N 3.27Å; R1232-A1509 PolarHBondContact NH2-O 2.93Å; R1232-S1510 PolarHBondContact NH2-OG 3.04Å
1233Q44.3Very low56.1Low181 Ų181108.5 Ų108.585%0.84657%0.571SS**  trans-37129.7176.5-66.4173.2-19.800111.3N1231 K1235N1231-Q1233 PolarHBondContact O-N 3.14Å; Q1233-K1235 VanDerWaalsContact C-N 3.28Å; Q1233-K1235 PolarHBondContact O-N 2.85Å
1234K51.8Low58.8Low205 Ų205103.5 Ų103.589%0.89154%0.54SS*.  trans-60.989.9176.7-78.2-176.4175.3177.50109.7R1232 H1236R1232-K1234 PolarHBondContact O-N 3.27Å; K1234-H1236 PolarHBondContact O-N 2.75Å
1235K55.5Low61.1Low140 Ų140102.5 Ų102.561%0.60953%0.528SS*.  trans-47136.6168.1-64178.6-177.7178.80107.5Q1233 A1237 Y1311Q1233-K1235 VanDerWaalsContact C-N 3.28Å; Q1233-K1235 PolarHBondContact O-N 2.85Å; K1235-A1237 VanDerWaalsContact C-N 3.27Å; K1235-A1237 PolarHBondContact O-N 2.76Å; K1235-Y1311 HydrophobicContact CB-CD1 3.65Å; K1235-Y1311 HydrophobicContact CB-CE1 3.7Å; K1235-Y1311 HydrophobicContact CD-CD1 4.31Å; K1235-Y1311 HydrophobicContact CD-CE1 4.12Å
1236H64.6Low63.7Low112 Ų11297.9 Ų97.952%0.51951%0.512SS..  trans-65.784.2-173.8-60.3-71.8000111.2K1234 S1238 E1312K1234-H1236 PolarHBondContact O-N 2.75Å; H1236-S1238 PolarHBondContact O-N 3.05Å; H1236-E1312 PolarHBondContact O-N 3.45Å
1237A79Confident66.6Low52 Ų5291.6 Ų91.643%0.4348%0.479SS..EExtended strand (participates in β ladder)trans-63.2119.4166.100000107.4K1235 F1309K1235-A1237 VanDerWaalsContact C-N 3.27Å; K1235-A1237 PolarHBondContact O-N 2.76Å; A1237-F1309 HydrophobicContact CB-CB 4.22Å
1238S83.1Confident69.1Low3 Ų386.5 Ų86.52%0.02146%0.46CS..EExtended strand (participates in β ladder)trans-56.5141.6175.463.20000109.7H1236 T1240 N1241 F1309 A1310 E1312H1236-S1238 PolarHBondContact O-N 3.05Å; S1238-T1240 VanDerWaalsContact C-N 3.31Å; S1238-N1241 WeakPolarHBondContact OG-CB 3.44Å; S1238-N1241 PolarHBondContact OG-N 3.49Å; S1238-N1241 PolarHBondContact OG-O 3.46Å; S1238-N1241 VanDerWaalsContact OG-O 3.08Å; S1238-F1309 WeakPolarHBondContact O-CD1 3.41Å; S1238-A1310 WeakPolarHBondContact CB-O 3.42Å; S1238-A1310 PolarHBondContact N-O 2.81Å; S1238-A1310 PolarHBondContact OG-O 2.9Å; S1238-E1312 WeakPolarHBondContact CA-OE2 3.32Å; S1238-E1312 WeakPolarHBondContact CB-OE2 3.49Å
1239K88Confident71.5Confident158 Ų15884.9 Ų84.969%0.68745%0.451SS*.EExtended strand (participates in β ladder)trans-81.3-14-177.9-67-179.5-177.9176.10112.7N1288K1239-N1288 HydrophobicContact CB-CB 4.42Å; K1239-N1288 WeakPolarHBondContact O-CA 3.26Å; K1239-N1288 PolarHBondContact O-ND2 3.49Å
1240T92.3Very high74.1Confident28 Ų2885.1 Ų85.117%0.17244%0.441CS..EExtended strand (participates in β ladder)trans-126.9-17.9-169.852.80000114.4S1238 R1267 D1284 F1285 A1291S1238-T1240 VanDerWaalsContact C-N 3.31Å; T1240-R1267 PolarHBondContact OG1-NH2 3.36Å; T1240-D1284 WeakPolarHBondContact CB-OD1 3.27Å; T1240-D1284 PolarHBondContact OG1-OD1 3.03Å; T1240-F1285 VanDerWaalsContact CB-O 3.26Å; T1240-F1285 WeakPolarHBondContact CB-O 3.25Å; T1240-F1285 WeakPolarHBondContact O-CD2 3.45Å; T1240-F1285 PolarHBondContact O-N 3.4Å; T1240-A1291 WeakPolarHBondContact O-CB 3.23Å
1241N93.6Very high76.7Confident38 Ų3883.9 Ų83.920%0.20342%0.419CS..EExtended strand (participates in β ladder)trans-102.4128.2-176-172.4-8.6000110.8S1238 I1283 D1284 F1309 A1310S1238-N1241 WeakPolarHBondContact OG-CB 3.44Å; S1238-N1241 PolarHBondContact OG-N 3.49Å; S1238-N1241 PolarHBondContact OG-O 3.46Å; S1238-N1241 VanDerWaalsContact OG-O 3.08Å; N1241-I1283 CarbonylContact C-O 3.55Å; N1241-I1283 WeakPolarHBondContact CA-O 3.49Å; N1241-I1283 PolarHBondContact OD1-N 3.37Å; N1241-I1283 PolarHBondContact OD1-O 2.81Å; N1241-D1284 HydrophobicContact CB-CB 3.97Å; N1241-F1309 WeakPolarHBondContact O-CA 3.38Å; N1241-A1310 HydrophobicContact CB-CB 4.17Å; N1241-A1310 PolarHBondContact O-N 3.5Å
1242L94.1Very high79.6Confident0 Ų078.6 Ų78.60%039%0.393CS..EExtended strand (participates in β ladder)trans-102.5124.7176.8-58.8-173.6000109.8F1282 I1283 F1285 A1291 A1294 L1295 V1307 N1308 F1309L1242-F1282 CarbonylContact O-C 3.59Å; L1242-F1282 VanDerWaalsContact O-CA 3.28Å; L1242-F1282 WeakPolarHBondContact O-CA 3.36Å; L1242-I1283 PolarHBondContact N-O 2.79Å; L1242-I1283 PolarHBondContact O-N 2.65Å; L1242-F1285 HydrophobicContact CD1-CD2 4.48Å; L1242-F1285 HydrophobicContact CD1-CE2 3.75Å; L1242-F1285 HydrophobicContact CG-CD2 4.38Å; L1242-F1285 HydrophobicContact CG-CE2 4.02Å; L1242-A1291 HydrophobicContact CD2-CB 4.31Å; L1242-A1291 HydrophobicContact CG-CB 4.5Å; L1242-A1294 HydrophobicContact CD1-CB 3.93Å; L1242-L1295 HydrophobicContact CD1-CB 4.02Å; L1242-L1295 HydrophobicContact CD2-CB 4.03Å; L1242-V1307 HydrophobicContact CB-CG1 4.04Å; L1242-V1307 HydrophobicContact CD1-CG1 4.08Å; L1242-N1308 CarbonylContact C-O 3.56Å; L1242-N1308 WeakPolarHBondContact CA-O 3.47Å; L1242-F1309 HydrophobicContact CD2-CD1 3.71Å; L1242-F1309 HydrophobicContact CD2-CE1 3.74Å; L1242-F1309 HydrophobicContact CD2-CG 4.27Å; L1242-F1309 HydrophobicContact CD2-CZ 4.32Å
1243Y94Very high81.8Confident54 Ų5474.8 Ų74.821%0.21238%0.383CS..EExtended strand (participates in β ladder)trans-87.8132.7167.2166-109.1000109.7R1245 Y1280 F1282 Y1306 V1307 N1308Y1243-R1245 HydrophobicContact CE1-CB 4.24Å; Y1243-Y1280 AromaticContact CE2-CD1 3.63Å; Y1243-Y1280 HydrophobicContact CE2-CD1 3.63Å; Y1243-Y1280 HydrophobicContact CE2-CE1 4.38Å; Y1243-Y1280 HydrophobicContact CE2-CG 4.17Å; Y1243-Y1280 AromaticContact CZ-CD1 3.69Å; Y1243-Y1280 WeakPolarHBondContact OH-CD1 3.45Å; Y1243-Y1280 WeakPolarHBondContact OH-CE1 3.4Å; Y1243-F1282 HydrophobicContact CD2-CD1 4.37Å; Y1243-F1282 AromaticContact CD2-CE1 3.7Å; Y1243-F1282 HydrophobicContact CD2-CE1 3.7Å; Y1243-F1282 HydrophobicContact CD2-CE2 4.12Å; Y1243-F1282 AromaticContact CD2-CZ 3.56Å; Y1243-F1282 HydrophobicContact CD2-CZ 3.56Å; Y1243-F1282 HydrophobicContact CE2-CZ 4.11Å; Y1243-F1282 HydrophobicContact CG-CE1 4.3Å; Y1243-Y1306 HydrophobicContact CD1-CD1 4.38Å; Y1243-Y1306 AromaticContact CD1-CE1 3.94Å; Y1243-Y1306 HydrophobicContact CD1-CE1 3.94Å; Y1243-Y1306 HydrophobicContact CE1-CD1 4.16Å; Y1243-Y1306 AromaticContact CE1-CE1 3.85Å; Y1243-Y1306 HydrophobicContact CE1-CE1 3.85Å; Y1243-V1307 WeakPolarHBondContact O-CA 3.43Å; Y1243-N1308 PolarHBondContact N-O 3.05Å; Y1243-N1308 PolarHBondContact O-N 3.02Å; Y1243-N1308 VanDerWaalsContact O-N 3.08Å
1244I92.6Very high83.9Confident0 Ų073.8 Ų73.80%038%0.378CS..EExtended strand (participates in β ladder)trans-125.5129.8-172.7-59.8-179000108.4L1247 L1256 Y1280 G1281 I1283 I1298 I1305 Y1306 V1307I1244-L1247 HydrophobicContact CG2-CD1 3.89Å; I1244-L1247 HydrophobicContact CG2-CD2 3.82Å; I1244-L1247 HydrophobicContact CG2-CG 3.86Å; I1244-L1256 HydrophobicContact CD1-CD1 3.73Å; I1244-L1256 HydrophobicContact CG2-CD1 4.4Å; I1244-Y1280 CarbonylContact O-C 3.56Å; I1244-Y1280 VanDerWaalsContact O-CA 3.31Å; I1244-Y1280 WeakPolarHBondContact O-CA 3.46Å; I1244-G1281 PolarHBondContact N-O 2.82Å; I1244-G1281 PolarHBondContact O-N 3.46Å; I1244-I1283 HydrophobicContact CD1-CD1 3.54Å; I1244-I1283 HydrophobicContact CD1-CG1 3.87Å; I1244-I1298 HydrophobicContact CD1-CD1 4.06Å; I1244-I1305 HydrophobicContact CG2-CG2 3.48Å; I1244-I1305 VanDerWaalsContact CG2-CG2 3.48Å; I1244-Y1306 CarbonylContact C-O 3.53Å; I1244-Y1306 WeakPolarHBondContact CA-O 3.41Å; I1244-V1307 HydrophobicContact CG1-CG1 3.96Å; I1244-V1307 HydrophobicContact CG1-CG2 4.03Å; I1244-V1307 HydrophobicContact CG2-CG2 4.33Å
1245R91.5Very high85.6Confident92 Ų9267.9 Ų67.935%0.34735%0.353SS..EExtended strand (participates in β ladder)trans-131.6154177.6175175.8-161.6159.6-2.6109.9Y1243 E1278 Y1280 Y1306Y1243-R1245 HydrophobicContact CE1-CB 4.24Å; R1245-E1278 IonicContact CZ-OE2 2.65Å; R1245-E1278 IonicContact NE-OE1 3.19Å; R1245-E1278 IonicContact NE-OE2 2.73Å; R1245-E1278 PolarHBondContact NE-OE2 2.8Å; R1245-E1278 IonicContact NH2-OE1 2.62Å; R1245-E1278 IonicContact NH2-OE2 2.81Å; R1245-E1278 PolarHBondContact NH2-OE2 2.81Å; R1245-Y1280 HydrophobicContact CB-CD1 3.94Å; R1245-Y1280 HydrophobicContact CB-CE1 4.01Å; R1245-Y1280 HydrophobicContact CG-CD1 3.99Å; R1245-Y1280 HydrophobicContact CG-CE1 3.58Å; R1245-Y1280 VanDerWaalsContact CZ-OH 3.27Å; R1245-Y1280 PolarHBondContact NH2-OH 3.14Å; R1245-Y1306 HydrophobicContact CB-CD1 4.03Å; R1245-Y1306 PolarHBondContact N-O 2.95Å; R1245-Y1306 PolarHBondContact O-N 3.48Å
1246G87.5Confident87.1Confident36 Ų3661.2 Ų61.237%0.37132%0.324SS..EExtended strand (participates in β ladder)trans90.920.3-17700000112.6
1247L88.9Confident88.2Confident4 Ų459.1 Ų59.12%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-79.5136.2172.9-58.9175.8000109.5I1244 F1251 L1256 L1259 L1271 M1279 I1305I1244-L1247 HydrophobicContact CG2-CD1 3.89Å; I1244-L1247 HydrophobicContact CG2-CD2 3.82Å; I1244-L1247 HydrophobicContact CG2-CG 3.86Å; L1247-F1251 HydrophobicContact CB-CB 4.19Å; L1247-F1251 HydrophobicContact CB-CD1 4.24Å; L1247-F1251 HydrophobicContact CB-CG 4.26Å; L1247-F1251 HydrophobicContact CD1-CD1 4.05Å; L1247-F1251 HydrophobicContact CD1-CE1 4.4Å; L1247-F1251 HydrophobicContact CD2-CD1 3.93Å; L1247-F1251 HydrophobicContact CD2-CE1 3.81Å; L1247-F1251 HydrophobicContact CD2-CG 4.41Å; L1247-F1251 HydrophobicContact CD2-CZ 4.2Å; L1247-F1251 HydrophobicContact CG-CD1 4.29Å; L1247-L1256 HydrophobicContact CD1-CD1 3.75Å; L1247-L1256 HydrophobicContact CD1-CD2 4.42Å; L1247-L1259 HydrophobicContact CD2-CD1 3.92Å; L1247-L1271 HydrophobicContact CD1-CD1 3.65Å; L1247-M1279 HydrophobicContact CB-CB 3.92Å; L1247-M1279 PolarHBondContact N-O 3.47Å; L1247-M1279 PolarHBondContact O-N 3.37Å; L1247-M1279 VanDerWaalsContact O-N 3.14Å; L1247-I1305 HydrophobicContact CD2-CD1 3.94Å; L1247-I1305 HydrophobicContact CD2-CG1 4.43Å; L1247-I1305 HydrophobicContact CD2-CG2 4.44Å
1248P83.8Confident88.5Confident67 Ų6761.5 Ų61.544%0.43532%0.324SS..  trans-55.6154.4176-27.234.6000113.8T1250 F1251 M1279P1248-T1250 PolarHBondContact O-N 3.4Å; P1248-F1251 HydrophobicContact CB-CB 4.5Å; P1248-F1251 HydrophobicContact CG-CD2 4.35Å; P1248-F1251 VanDerWaalsContact O-CB 3.26Å; P1248-F1251 WeakPolarHBondContact O-CB 3.18Å; P1248-F1251 PolarHBondContact O-N 3.18Å; P1248-M1279 WeakPolarHBondContact O-CG 3.47Å
1249T84.5Confident88.6Confident102 Ų10263.1 Ų63.163%0.62633%0.332SS*.THydrogen-bonded Turntrans-57.7-18.2172.445.70000114.6G1277T1249-G1277 WeakPolarHBondContact CG2-O 3.39Å
1250T85.1Confident88.4Confident115 Ų11555.8 Ų55.871%0.70630%0.301SS*.THydrogen-bonded Turntrans-99.1-2.9179.858.40000113.4P1248P1248-T1250 PolarHBondContact O-N 3.4Å
1251F85.6Confident87.9Confident33 Ų3356.8 Ų56.815%0.14531%0.308CS..  trans-70.8145.5-172.7-148.4-104.8000111L1247 P1248 E1255 L1256 L1259 L1271L1247-F1251 HydrophobicContact CB-CB 4.19Å; L1247-F1251 HydrophobicContact CB-CD1 4.24Å; L1247-F1251 HydrophobicContact CB-CG 4.26Å; L1247-F1251 HydrophobicContact CD1-CD1 4.05Å; L1247-F1251 HydrophobicContact CD1-CE1 4.4Å; L1247-F1251 HydrophobicContact CD2-CD1 3.93Å; L1247-F1251 HydrophobicContact CD2-CE1 3.81Å; L1247-F1251 HydrophobicContact CD2-CG 4.41Å; L1247-F1251 HydrophobicContact CD2-CZ 4.2Å; L1247-F1251 HydrophobicContact CG-CD1 4.29Å; P1248-F1251 HydrophobicContact CB-CB 4.5Å; P1248-F1251 HydrophobicContact CG-CD2 4.35Å; P1248-F1251 VanDerWaalsContact O-CB 3.26Å; P1248-F1251 WeakPolarHBondContact O-CB 3.18Å; P1248-F1251 PolarHBondContact O-N 3.18Å; F1251-E1255 HydrophobicContact CD1-CB 4.06Å; F1251-E1255 HydrophobicContact CD2-CB 4.25Å; F1251-E1255 HydrophobicContact CE1-CB 3.62Å; F1251-E1255 HydrophobicContact CE2-CB 3.83Å; F1251-E1255 HydrophobicContact CG-CB 4.36Å; F1251-E1255 HydrophobicContact CZ-CB 3.5Å; F1251-E1255 VanDerWaalsContact CZ-CB 3.5Å; F1251-L1256 HydrophobicContact CE1-CB 4.13Å; F1251-L1256 HydrophobicContact CE1-CD1 4.36Å; F1251-L1259 HydrophobicContact CE1-CD1 3.77Å; F1251-L1259 HydrophobicContact CE1-CG 4.41Å; F1251-L1259 HydrophobicContact CZ-CD1 3.62Å; F1251-L1259 HydrophobicContact CZ-CD2 4.49Å; F1251-L1259 HydrophobicContact CZ-CG 3.96Å; F1251-L1271 WeakPolarHBondContact O-CD2 3.48Å
1252T89.7Confident87.4Confident62 Ų6258.9 Ų58.938%0.3832%0.319SS..  trans-112.2163.1-176.262.50000112.2E1254 E1255 L1256T1252-E1254 PolarHBondContact O-N 2.98Å; T1252-E1255 WeakPolarHBondContact CB-OE2 3.32Å; T1252-E1255 PolarHBondContact N-OE2 2.77Å; T1252-E1255 PolarHBondContact O-N 2.91Å; T1252-E1255 VanDerWaalsContact OG1-CD 3.3Å; T1252-E1255 VanDerWaalsContact OG1-CG 3.27Å; T1252-E1255 WeakPolarHBondContact OG1-CG 3.44Å; T1252-E1255 PolarHBondContact OG1-N 3.08Å; T1252-E1255 PolarHBondContact OG1-OE2 3.26Å; T1252-L1256 PolarHBondContact O-N 3.31Å
1253E88.6Confident86.9Confident89 Ų8967.6 Ų67.642%0.41635%0.352SS..Hα-helixtrans-65.5-29.7174.2-174.9149.8-124.200112L1256 H1257 V1269 K1270 L1271E1253-L1256 WeakPolarHBondContact O-CB 3.17Å; E1253-L1256 PolarHBondContact O-N 2.87Å; E1253-H1257 PolarHBondContact O-CD2 2.83Å; E1253-H1257 VanDerWaalsContact O-CD2 3.31Å; E1253-H1257 PolarHBondContact O-N 3.35Å; E1253-V1269 HydrophobicContact CG-CB 4.08Å; E1253-V1269 HydrophobicContact CG-CG1 3.77Å; E1253-K1270 WeakPolarHBondContact OE1-CA 3.46Å; E1253-K1270 PolarHBondContact OE1-N 3.34Å; E1253-L1271 HydrophobicContact CB-CB 4.46Å; E1253-L1271 PolarHBondContact OE1-N 2.62Å
1254E88Confident86.5Confident160 Ų16074.2 Ų74.275%0.74838%0.382SS*.Hα-helixtrans-70.4-39.2174.7-62.7-176.1-16900112.1T1252 L1256 H1257 T1258T1252-E1254 PolarHBondContact O-N 2.98Å; E1254-L1256 VanDerWaalsContact C-N 3.3Å; E1254-H1257 WeakPolarHBondContact O-CB 3.34Å; E1254-H1257 PolarHBondContact O-N 3.11Å; E1254-T1258 PolarHBondContact O-N 2.73Å
1255E87.6Confident86.4Confident80 Ų8077.1 Ų77.137%0.37440%0.397SS..Hα-helixtrans-68.9-30.3171.5-68161.613000111.9F1251 T1252 H1257 T1258 L1259F1251-E1255 HydrophobicContact CD1-CB 4.06Å; F1251-E1255 HydrophobicContact CD2-CB 4.25Å; F1251-E1255 HydrophobicContact CE1-CB 3.62Å; F1251-E1255 HydrophobicContact CE2-CB 3.83Å; F1251-E1255 HydrophobicContact CG-CB 4.36Å; F1251-E1255 HydrophobicContact CZ-CB 3.5Å; F1251-E1255 VanDerWaalsContact CZ-CB 3.5Å; T1252-E1255 WeakPolarHBondContact CB-OE2 3.32Å; T1252-E1255 PolarHBondContact N-OE2 2.77Å; T1252-E1255 PolarHBondContact O-N 2.91Å; T1252-E1255 VanDerWaalsContact OG1-CD 3.3Å; T1252-E1255 VanDerWaalsContact OG1-CG 3.27Å; T1252-E1255 WeakPolarHBondContact OG1-CG 3.44Å; T1252-E1255 PolarHBondContact OG1-N 3.08Å; T1252-E1255 PolarHBondContact OG1-OE2 3.26Å; E1255-H1257 VanDerWaalsContact C-N 3.3Å; E1255-H1257 PolarHBondContact O-N 3.22Å; E1255-T1258 WeakPolarHBondContact CA-OG1 3.19Å; E1255-T1258 PolarHBondContact O-N 3.41Å; E1255-T1258 VanDerWaalsContact O-N 3.13Å; E1255-T1258 PolarHBondContact O-OG1 2.97Å; E1255-L1259 PolarHBondContact O-N 2.83Å; E1255-L1259 VanDerWaalsContact O-N 3.16Å
1256L86.9Confident86.4Confident0 Ų073.9 Ų73.90%039%0.387CS..Hα-helixtrans-68.2-31.5172.4-167.358.2000111.8I1244 L1247 F1251 T1252 E1253 E1254 L1259 V1269 L1271 G1281 I1283I1244-L1256 HydrophobicContact CD1-CD1 3.73Å; I1244-L1256 HydrophobicContact CG2-CD1 4.4Å; L1247-L1256 HydrophobicContact CD1-CD1 3.75Å; L1247-L1256 HydrophobicContact CD1-CD2 4.42Å; F1251-L1256 HydrophobicContact CE1-CB 4.13Å; F1251-L1256 HydrophobicContact CE1-CD1 4.36Å; T1252-L1256 PolarHBondContact O-N 3.31Å; E1253-L1256 WeakPolarHBondContact O-CB 3.17Å; E1253-L1256 PolarHBondContact O-N 2.87Å; E1254-L1256 VanDerWaalsContact C-N 3.3Å; L1256-L1259 HydrophobicContact CD1-CD1 4.04Å; L1256-V1269 HydrophobicContact CB-CG1 3.93Å; L1256-V1269 HydrophobicContact CD2-CG1 3.38Å; L1256-V1269 HydrophobicContact CG-CG1 3.65Å; L1256-L1271 HydrophobicContact CD2-CB 4.38Å; L1256-L1271 HydrophobicContact CD2-CD1 3.82Å; L1256-G1281 VanDerWaalsContact CD2-CA 3.4Å; L1256-I1283 HydrophobicContact CD1-CD1 3.98Å; L1256-I1283 HydrophobicContact CD1-CG1 4.26Å; L1256-I1283 HydrophobicContact CD2-CG1 4.47Å; L1256-I1283 HydrophobicContact CG-CD1 4.01Å; L1256-I1283 HydrophobicContact CG-CG1 3.98Å; L1256-I1283 VanDerWaalsContact O-CD1 3.25Å; L1256-I1283 WeakPolarHBondContact O-CD1 3.5Å
1257H87Confident86.5Confident69 Ų6978.3 Ų78.332%0.31939%0.392SS..Hα-helixtrans-68.2-26.6168-88.8-82.9000113.9E1253 E1254 E1255 I1266 V1269E1253-H1257 PolarHBondContact O-CD2 2.83Å; E1253-H1257 VanDerWaalsContact O-CD2 3.31Å; E1253-H1257 PolarHBondContact O-N 3.35Å; E1254-H1257 WeakPolarHBondContact O-CB 3.34Å; E1254-H1257 PolarHBondContact O-N 3.11Å; E1255-H1257 VanDerWaalsContact C-N 3.3Å; E1255-H1257 PolarHBondContact O-N 3.22Å; H1257-I1266 WeakPolarHBondContact ND1-CD1 3.47Å; H1257-V1269 VanDerWaalsContact CD2-CG2 3.5Å; H1257-V1269 WeakPolarHBondContact CD2-CG2 3.44Å; H1257-V1269 VanDerWaalsContact CE1-CG2 3.42Å; H1257-V1269 WeakPolarHBondContact CE1-CG2 3.22Å; H1257-V1269 VanDerWaalsContact NE2-CG2 3.33Å; H1257-V1269 WeakPolarHBondContact NE2-CG2 3.1Å
1258T87.1Confident86.4Confident102 Ų10281.2 Ų81.263%0.62641%0.413SS*.Hα-helixtrans-88.8-18.5-179.960.90000114.3E1254 E1255 A1260E1254-T1258 PolarHBondContact O-N 2.73Å; E1255-T1258 WeakPolarHBondContact CA-OG1 3.19Å; E1255-T1258 PolarHBondContact O-N 3.41Å; E1255-T1258 VanDerWaalsContact O-N 3.13Å; E1255-T1258 PolarHBondContact O-OG1 2.97Å; T1258-A1260 PolarHBondContact O-N 3.12Å
1259L83.4Confident86.7Confident36 Ų3678.7 Ų78.719%0.18840%0.396CS..Hα-helixtrans-64.1-28.8169.7-74.4177.1000112.9L1247 F1251 E1255 L1256 I1298 I1305L1247-L1259 HydrophobicContact CD2-CD1 3.92Å; F1251-L1259 HydrophobicContact CE1-CD1 3.77Å; F1251-L1259 HydrophobicContact CE1-CG 4.41Å; F1251-L1259 HydrophobicContact CZ-CD1 3.62Å; F1251-L1259 HydrophobicContact CZ-CD2 4.49Å; F1251-L1259 HydrophobicContact CZ-CG 3.96Å; E1255-L1259 PolarHBondContact O-N 2.83Å; E1255-L1259 VanDerWaalsContact O-N 3.16Å; L1256-L1259 HydrophobicContact CD1-CD1 4.04Å; L1259-I1298 HydrophobicContact CB-CD1 4.28Å; L1259-I1298 HydrophobicContact CB-CG1 4.22Å; L1259-I1298 WeakPolarHBondContact O-CG1 3.49Å; L1259-I1305 HydrophobicContact CD1-CD1 3.99Å; L1259-I1305 HydrophobicContact CD2-CD1 4.19Å
1260A85.2Confident87.1Confident4 Ų479.6 Ų79.63%0.03339%0.391CS..SBendtrans-81.3131.9177.200000111.3T1258 D1262 I1266 I1283 F1285T1258-A1260 PolarHBondContact O-N 3.12Å; A1260-D1262 PolarHBondContact O-N 2.79Å; A1260-I1266 HydrophobicContact CB-CD1 3.82Å; A1260-I1266 HydrophobicContact CB-CG1 4.36Å; A1260-I1283 HydrophobicContact CB-CD1 4.39Å; A1260-F1285 HydrophobicContact CB-CE1 3.98Å; A1260-F1285 HydrophobicContact CB-CZ 3.73Å
1261P80.9Confident87.4Confident50 Ų5075.9 Ų75.933%0.32537%0.367SS..SBendtrans-62.2-47.8-17723.7-32.6000111.9A1294 H1297P1261-A1294 HydrophobicContact CG-CB 4.36Å; P1261-H1297 HydrophobicContact CG-CB 4.06Å
1262D83.4Confident87.6Confident81 Ų8177.5 Ų77.543%0.43338%0.376SS..  trans-102.579.2179.4-76.6-58.4000111.9A1260 K1264 L1265A1260-D1262 PolarHBondContact O-N 2.79Å; D1262-K1264 PolarHBondContact O-N 2.77Å; D1262-L1265 HydrophobicContact CB-CB 4.04Å; D1262-L1265 HydrophobicContact CB-CD1 3.7Å; D1262-L1265 HydrophobicContact CB-CG 3.84Å; D1262-L1265 PolarHBondContact O-N 3.22Å
1263R83.9Confident87.5Confident183 Ų18378 Ų7869%0.69139%0.387SS*.THydrogen-bonded Turntrans-57.3-13.3175.365-179.2-179.3-90.33.9115.4I1266R1263-I1266 HydrophobicContact CB-CD1 4.3Å
1264K86.2Confident87.2Confident193 Ų19374.8 Ų74.884%0.83938%0.377SS*.THydrogen-bonded Turntrans-81-22171.2-69.4-175.4178.6-179.80114.1D1262 I1266D1262-K1264 PolarHBondContact O-N 2.77Å; K1264-I1266 VanDerWaalsContact C-N 3.33Å
1265L89.8Confident86.6Confident62 Ų6272.5 Ų72.533%0.32539%0.386SS..SBendtrans-94.710.4-178.3-61.4179.3000112.3D1262 F1285 V1286 A1290D1262-L1265 HydrophobicContact CB-CB 4.04Å; D1262-L1265 HydrophobicContact CB-CD1 3.7Å; D1262-L1265 HydrophobicContact CB-CG 3.84Å; D1262-L1265 PolarHBondContact O-N 3.22Å; L1265-F1285 HydrophobicContact CB-CD1 4.44Å; L1265-F1285 CarbonylContact O-C 3.58Å; L1265-F1285 VanDerWaalsContact O-CA 3.23Å; L1265-F1285 WeakPolarHBondContact O-CA 3.2Å; L1265-F1285 WeakPolarHBondContact O-CB 3.47Å; L1265-F1285 WeakPolarHBondContact O-CD1 3.34Å; L1265-V1286 PolarHBondContact O-N 2.99Å; L1265-A1290 HydrophobicContact CB-CB 3.95Å; L1265-A1290 HydrophobicContact CD1-CB 3.81Å
1266I91.8Very high86Confident23 Ų2376.8 Ų76.812%0.11841%0.406CS..EExtended strand (participates in β ladder)trans-87.2127.3174.6-59.1171.9000109.1H1257 A1260 R1263 K1264 V1269 I1283 F1285H1257-I1266 WeakPolarHBondContact ND1-CD1 3.47Å; A1260-I1266 HydrophobicContact CB-CD1 3.82Å; A1260-I1266 HydrophobicContact CB-CG1 4.36Å; R1263-I1266 HydrophobicContact CB-CD1 4.3Å; K1264-I1266 VanDerWaalsContact C-N 3.33Å; I1266-V1269 HydrophobicContact CD1-CG2 4.49Å; I1266-V1269 HydrophobicContact CG2-CG2 3.74Å; I1266-I1283 HydrophobicContact CD1-CG2 4.16Å; I1266-I1283 HydrophobicContact CG1-CG2 3.95Å; I1266-I1283 HydrophobicContact CG2-CG2 3.89Å; I1266-F1285 HydrophobicContact CG1-CD1 4.18Å; I1266-F1285 HydrophobicContact CG1-CE1 3.81Å; I1266-F1285 HydrophobicContact CG1-CZ 4.36Å
1267R88.2Confident85.4Confident130 Ų13078.2 Ų78.249%0.49142%0.421SS..EExtended strand (participates in β ladder)trans-90.8-35.4172.6175.3165.556.1-119-12.3112.2T1240 D1284 F1285 V1286T1240-R1267 PolarHBondContact OG1-NH2 3.36Å; R1267-D1284 WeakPolarHBondContact CA-O 3.38Å; R1267-D1284 IonicContact CZ-OD1 2.83Å; R1267-D1284 IonicContact CZ-OD2 3.66Å; R1267-D1284 PolarHBondContact N-O 2.86Å; R1267-D1284 IonicContact NE-OD2 2.67Å; R1267-D1284 PolarHBondContact NE-OD2 3.2Å; R1267-D1284 IonicContact NH2-OD1 4Å; R1267-D1284 PolarHBondContact NH2-OD1 2.96Å; R1267-D1284 IonicContact NH2-OD2 3.11Å; R1267-D1284 PolarHBondContact NH2-OD2 2.75Å; R1267-F1285 VanDerWaalsContact CZ-O 3.25Å; R1267-F1285 PolarHBondContact NH1-O 3.47Å; R1267-F1285 PolarHBondContact NH2-O 2.86Å; R1267-V1286 HydrophobicContact CB-CG2 4.33Å; R1267-V1286 PolarHBondContact NH1-O 3.4Å
1268S87.6Confident85.1Confident65 Ų6578.2 Ų78.246%0.45542%0.421SS..EExtended strand (participates in β ladder)trans-155.7142.8173.8-171.40000110.6D1284S1268-D1284 PolarHBondContact N-O 3.11Å; S1268-D1284 VanDerWaalsContact N-O 3.11Å; S1268-D1284 PolarHBondContact O-N 2.82Å
1269V91.4Very high85.1Confident13 Ų1374.7 Ų74.78%0.07940%0.398CS..EExtended strand (participates in β ladder)trans-103.3160.7156.4-175.60000108.4E1253 L1256 H1257 I1266 F1282 I1283E1253-V1269 HydrophobicContact CG-CB 4.08Å; E1253-V1269 HydrophobicContact CG-CG1 3.77Å; L1256-V1269 HydrophobicContact CB-CG1 3.93Å; L1256-V1269 HydrophobicContact CD2-CG1 3.38Å; L1256-V1269 HydrophobicContact CG-CG1 3.65Å; H1257-V1269 VanDerWaalsContact CD2-CG2 3.5Å; H1257-V1269 WeakPolarHBondContact CD2-CG2 3.44Å; H1257-V1269 VanDerWaalsContact CE1-CG2 3.42Å; H1257-V1269 WeakPolarHBondContact CE1-CG2 3.22Å; H1257-V1269 VanDerWaalsContact NE2-CG2 3.33Å; H1257-V1269 WeakPolarHBondContact NE2-CG2 3.1Å; I1266-V1269 HydrophobicContact CD1-CG2 4.49Å; I1266-V1269 HydrophobicContact CG2-CG2 3.74Å; V1269-F1282 CarbonylContact C-O 3.57Å; V1269-F1282 WeakPolarHBondContact CA-O 3.26Å; V1269-I1283 HydrophobicContact CG1-CG1 4.46Å; V1269-I1283 HydrophobicContact CG2-CG1 4.37Å; V1269-I1283 HydrophobicContact CG2-CG2 4.3Å
1270K90.9Very high85.5Confident122 Ų12275.1 Ų75.153%0.5340%0.397SS..EExtended strand (participates in β ladder)trans-153.3118.4162.7-175.4176.6-177.6179.40110.1E1253 I1272 F1282E1253-K1270 WeakPolarHBondContact OE1-CA 3.46Å; E1253-K1270 PolarHBondContact OE1-N 3.34Å; K1270-I1272 HydrophobicContact CD-CD1 4.12Å; K1270-I1272 HydrophobicContact CD-CG1 4.37Å; K1270-I1272 HydrophobicContact CG-CD1 4.35Å; K1270-I1272 HydrophobicContact CG-CG1 4.07Å; K1270-F1282 HydrophobicContact CB-CB 4.33Å; K1270-F1282 PolarHBondContact N-O 2.82Å; K1270-F1282 PolarHBondContact O-N 3.22Å
1271L91.9Very high85.9Confident37 Ų3775 Ų7519%0.19440%0.396CS..EExtended strand (participates in β ladder)trans-94.6138.5171-165.471.6000111.3L1247 F1251 E1253 L1256 M1279L1247-L1271 HydrophobicContact CD1-CD1 3.65Å; F1251-L1271 WeakPolarHBondContact O-CD2 3.48Å; E1253-L1271 HydrophobicContact CB-CB 4.46Å; E1253-L1271 PolarHBondContact OE1-N 2.62Å; L1256-L1271 HydrophobicContact CD2-CB 4.38Å; L1256-L1271 HydrophobicContact CD2-CD1 3.82Å; L1271-M1279 HydrophobicContact CD1-CB 4.37Å; L1271-M1279 HydrophobicContact CD2-CE 3.46Å; L1271-M1279 VanDerWaalsContact CD2-CE 3.46Å; L1271-M1279 HydrophobicContact CD2-SD 4.23Å; L1271-M1279 HydrophobicContact CG-CE 3.86Å
1272I89.6Confident86.5Confident66 Ų6675.2 Ų75.234%0.33839%0.392SS..EExtended strand (participates in β ladder)trans-136.2126.2-177.8-51.7-173000109.7K1270 Y1280 F1282K1270-I1272 HydrophobicContact CD-CD1 4.12Å; K1270-I1272 HydrophobicContact CD-CG1 4.37Å; K1270-I1272 HydrophobicContact CG-CD1 4.35Å; K1270-I1272 HydrophobicContact CG-CG1 4.07Å; I1272-Y1280 PolarHBondContact N-O 2.99Å; I1272-Y1280 PolarHBondContact O-N 2.9Å; I1272-F1282 HydrophobicContact CD1-CD2 4.09Å; I1272-F1282 HydrophobicContact CD1-CE2 3.77Å; I1272-F1282 HydrophobicContact CG1-CD2 4.43Å; I1272-F1282 HydrophobicContact CG1-CE2 4.38Å
1273A88.3Confident87Confident74 Ų7471.4 Ų71.461%0.61237%0.371SS*.EExtended strand (participates in β ladder)trans-75.4133.2173.100000111.3M1279A1273-M1279 HydrophobicContact CB-CE 4.46Å
1274G81.8Confident87.4Confident20 Ų2064 Ų6421%0.20635%0.346CS..  trans-83.4169.2176.600000114.3E1276 G1277 E1278G1274-E1276 PolarHBondContact O-N 2.73Å; G1274-G1277 PolarHBondContact O-N 3.44Å; G1274-E1278 VanDerWaalsContact CA-O 3.22Å; G1274-E1278 WeakPolarHBondContact CA-O 3.28Å; G1274-E1278 PolarHBondContact N-O 2.71Å
1275A75.5Confident87.8Confident113 Ų11354.9 Ų54.993%0.93431%0.306SS*.THydrogen-bonded Turntrans-64.4-22-179.100000114.3
1276E75.2Confident87.9Confident170 Ų17055.3 Ų55.379%0.79431%0.311SS*.THydrogen-bonded Turntrans-115.317.9-174.9-63.9175.3172.800112G1274 E1278G1274-E1276 PolarHBondContact O-N 2.73Å; E1276-E1278 PolarHBondContact O-N 3.42Å
1277G73.7Confident87.9Confident30 Ų3058.3 Ų58.331%0.30933%0.327SS..SBendtrans84.3-22.5-177.600000114.7T1249 G1274 M1279T1249-G1277 WeakPolarHBondContact CG2-O 3.39Å; G1274-G1277 PolarHBondContact O-N 3.44Å; G1277-M1279 PolarHBondContact O-N 2.9Å
1278E81.9Confident88.1Confident69 Ų6954.5 Ų54.532%0.32232%0.316SS..  trans-49.8131.2169.2-66.2-167.2159.800111.1R1245 G1274 E1276 Y1280R1245-E1278 IonicContact CZ-OE2 2.65Å; R1245-E1278 IonicContact NE-OE1 3.19Å; R1245-E1278 IonicContact NE-OE2 2.73Å; R1245-E1278 PolarHBondContact NE-OE2 2.8Å; R1245-E1278 IonicContact NH2-OE1 2.62Å; R1245-E1278 IonicContact NH2-OE2 2.81Å; R1245-E1278 PolarHBondContact NH2-OE2 2.81Å; G1274-E1278 VanDerWaalsContact CA-O 3.22Å; G1274-E1278 WeakPolarHBondContact CA-O 3.28Å; G1274-E1278 PolarHBondContact N-O 2.71Å; E1276-E1278 PolarHBondContact O-N 3.42Å; E1278-Y1280 PolarHBondContact OE2-OH 2.97Å
1279M87.2Confident88.4Confident27 Ų2758.3 Ų58.313%0.13333%0.327CS..EExtended strand (participates in β ladder)trans-96.2143.3175.4-61.1-168.48800111.6L1247 P1248 L1271 A1273 G1277L1247-M1279 HydrophobicContact CB-CB 3.92Å; L1247-M1279 PolarHBondContact N-O 3.47Å; L1247-M1279 PolarHBondContact O-N 3.37Å; L1247-M1279 VanDerWaalsContact O-N 3.14Å; P1248-M1279 WeakPolarHBondContact O-CG 3.47Å; L1271-M1279 HydrophobicContact CD1-CB 4.37Å; L1271-M1279 HydrophobicContact CD2-CE 3.46Å; L1271-M1279 VanDerWaalsContact CD2-CE 3.46Å; L1271-M1279 HydrophobicContact CD2-SD 4.23Å; L1271-M1279 HydrophobicContact CG-CE 3.86Å; A1273-M1279 HydrophobicContact CB-CE 4.46Å; G1277-M1279 PolarHBondContact O-N 2.9Å
1280Y92Very high88.5Confident46 Ų4658 Ų5818%0.1833%0.326CS..EExtended strand (participates in β ladder)trans-117.2126.9-179.2-61.8-69.9000110.1Y1243 I1244 R1245 I1272 E1278Y1243-Y1280 AromaticContact CE2-CD1 3.63Å; Y1243-Y1280 HydrophobicContact CE2-CD1 3.63Å; Y1243-Y1280 HydrophobicContact CE2-CE1 4.38Å; Y1243-Y1280 HydrophobicContact CE2-CG 4.17Å; Y1243-Y1280 AromaticContact CZ-CD1 3.69Å; Y1243-Y1280 WeakPolarHBondContact OH-CD1 3.45Å; Y1243-Y1280 WeakPolarHBondContact OH-CE1 3.4Å; I1244-Y1280 CarbonylContact O-C 3.56Å; I1244-Y1280 VanDerWaalsContact O-CA 3.31Å; I1244-Y1280 WeakPolarHBondContact O-CA 3.46Å; R1245-Y1280 HydrophobicContact CB-CD1 3.94Å; R1245-Y1280 HydrophobicContact CB-CE1 4.01Å; R1245-Y1280 HydrophobicContact CG-CD1 3.99Å; R1245-Y1280 HydrophobicContact CG-CE1 3.58Å; R1245-Y1280 VanDerWaalsContact CZ-OH 3.27Å; R1245-Y1280 PolarHBondContact NH2-OH 3.14Å; I1272-Y1280 PolarHBondContact N-O 2.99Å; I1272-Y1280 PolarHBondContact O-N 2.9Å; E1278-Y1280 PolarHBondContact OE2-OH 2.97Å
1281G92.5Very high88.6Confident0 Ų052.2 Ų52.20%030%0.301CS..EExtended strand (participates in β ladder)trans-102.9150.2174.700000112.3I1244 L1256I1244-G1281 PolarHBondContact N-O 2.82Å; I1244-G1281 PolarHBondContact O-N 3.46Å; L1256-G1281 VanDerWaalsContact CD2-CA 3.4Å
1282F94.1Very high88.7Confident56 Ų5655.3 Ų55.325%0.24631%0.313CS..EExtended strand (participates in β ladder)trans-127133.7162.6-65.2-95.1000108.4L1242 Y1243 V1269 K1270 I1272 A1310L1242-F1282 CarbonylContact O-C 3.59Å; L1242-F1282 VanDerWaalsContact O-CA 3.28Å; L1242-F1282 WeakPolarHBondContact O-CA 3.36Å; Y1243-F1282 HydrophobicContact CD2-CD1 4.37Å; Y1243-F1282 AromaticContact CD2-CE1 3.7Å; Y1243-F1282 HydrophobicContact CD2-CE1 3.7Å; Y1243-F1282 HydrophobicContact CD2-CE2 4.12Å; Y1243-F1282 AromaticContact CD2-CZ 3.56Å; Y1243-F1282 HydrophobicContact CD2-CZ 3.56Å; Y1243-F1282 HydrophobicContact CE2-CZ 4.11Å; Y1243-F1282 HydrophobicContact CG-CE1 4.3Å; V1269-F1282 CarbonylContact C-O 3.57Å; V1269-F1282 WeakPolarHBondContact CA-O 3.26Å; K1270-F1282 HydrophobicContact CB-CB 4.33Å; K1270-F1282 PolarHBondContact N-O 2.82Å; K1270-F1282 PolarHBondContact O-N 3.22Å; I1272-F1282 HydrophobicContact CD1-CD2 4.09Å; I1272-F1282 HydrophobicContact CD1-CE2 3.77Å; I1272-F1282 HydrophobicContact CG1-CD2 4.43Å; I1272-F1282 HydrophobicContact CG1-CE2 4.38Å; F1282-A1310 HydrophobicContact CD1-CB 4.02Å; F1282-A1310 HydrophobicContact CE1-CB 4.13Å
1283I93.3Very high88.8Confident0 Ų054.6 Ų54.60%031%0.314CS..EExtended strand (participates in β ladder)trans-131.1108.9173.7-51.4178.4000108.3N1241 L1242 I1244 L1256 A1260 I1266 V1269 F1285N1241-I1283 CarbonylContact C-O 3.55Å; N1241-I1283 WeakPolarHBondContact CA-O 3.49Å; N1241-I1283 PolarHBondContact OD1-N 3.37Å; N1241-I1283 PolarHBondContact OD1-O 2.81Å; L1242-I1283 PolarHBondContact N-O 2.79Å; L1242-I1283 PolarHBondContact O-N 2.65Å; I1244-I1283 HydrophobicContact CD1-CD1 3.54Å; I1244-I1283 HydrophobicContact CD1-CG1 3.87Å; L1256-I1283 HydrophobicContact CD1-CD1 3.98Å; L1256-I1283 HydrophobicContact CD1-CG1 4.26Å; L1256-I1283 HydrophobicContact CD2-CG1 4.47Å; L1256-I1283 HydrophobicContact CG-CD1 4.01Å; L1256-I1283 HydrophobicContact CG-CG1 3.98Å; L1256-I1283 VanDerWaalsContact O-CD1 3.25Å; L1256-I1283 WeakPolarHBondContact O-CD1 3.5Å; A1260-I1283 HydrophobicContact CB-CD1 4.39Å; I1266-I1283 HydrophobicContact CD1-CG2 4.16Å; I1266-I1283 HydrophobicContact CG1-CG2 3.95Å; I1266-I1283 HydrophobicContact CG2-CG2 3.89Å; V1269-I1283 HydrophobicContact CG1-CG1 4.46Å; V1269-I1283 HydrophobicContact CG2-CG1 4.37Å; V1269-I1283 HydrophobicContact CG2-CG2 4.3Å; I1283-F1285 HydrophobicContact CB-CE2 3.84Å; I1283-F1285 HydrophobicContact CB-CZ 4.33Å; I1283-F1285 HydrophobicContact CG2-CD2 3.98Å; I1283-F1285 HydrophobicContact CG2-CE1 4.26Å; I1283-F1285 HydrophobicContact CG2-CE2 3.34Å; I1283-F1285 HydrophobicContact CG2-CZ 3.5Å
1284D92.5Very high89Confident29 Ų2951.1 Ų51.116%0.15529%0.285CS..EExtended strand (participates in β ladder)trans-92.9122.4173.3-175.540.4000110.5T1240 N1241 R1267 S1268T1240-D1284 WeakPolarHBondContact CB-OD1 3.27Å; T1240-D1284 PolarHBondContact OG1-OD1 3.03Å; N1241-D1284 HydrophobicContact CB-CB 3.97Å; R1267-D1284 WeakPolarHBondContact CA-O 3.38Å; R1267-D1284 IonicContact CZ-OD1 2.83Å; R1267-D1284 IonicContact CZ-OD2 3.66Å; R1267-D1284 PolarHBondContact N-O 2.86Å; R1267-D1284 IonicContact NE-OD2 2.67Å; R1267-D1284 PolarHBondContact NE-OD2 3.2Å; R1267-D1284 IonicContact NH2-OD1 4Å; R1267-D1284 PolarHBondContact NH2-OD1 2.96Å; R1267-D1284 IonicContact NH2-OD2 3.11Å; R1267-D1284 PolarHBondContact NH2-OD2 2.75Å; S1268-D1284 PolarHBondContact N-O 3.11Å; S1268-D1284 VanDerWaalsContact N-O 3.11Å; S1268-D1284 PolarHBondContact O-N 2.82Å
1285F93.9Very high89.5Confident1 Ų151.2 Ų51.20%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-98154.7-178.7-69.2-94.8000112.1T1240 L1242 A1260 L1265 I1266 R1267 I1283 N1287 A1290 A1291 A1294T1240-F1285 VanDerWaalsContact CB-O 3.26Å; T1240-F1285 WeakPolarHBondContact CB-O 3.25Å; T1240-F1285 WeakPolarHBondContact O-CD2 3.45Å; T1240-F1285 PolarHBondContact O-N 3.4Å; L1242-F1285 HydrophobicContact CD1-CD2 4.48Å; L1242-F1285 HydrophobicContact CD1-CE2 3.75Å; L1242-F1285 HydrophobicContact CG-CD2 4.38Å; L1242-F1285 HydrophobicContact CG-CE2 4.02Å; A1260-F1285 HydrophobicContact CB-CE1 3.98Å; A1260-F1285 HydrophobicContact CB-CZ 3.73Å; L1265-F1285 HydrophobicContact CB-CD1 4.44Å; L1265-F1285 CarbonylContact O-C 3.58Å; L1265-F1285 VanDerWaalsContact O-CA 3.23Å; L1265-F1285 WeakPolarHBondContact O-CA 3.2Å; L1265-F1285 WeakPolarHBondContact O-CB 3.47Å; L1265-F1285 WeakPolarHBondContact O-CD1 3.34Å; I1266-F1285 HydrophobicContact CG1-CD1 4.18Å; I1266-F1285 HydrophobicContact CG1-CE1 3.81Å; I1266-F1285 HydrophobicContact CG1-CZ 4.36Å; R1267-F1285 VanDerWaalsContact CZ-O 3.25Å; R1267-F1285 PolarHBondContact NH1-O 3.47Å; R1267-F1285 PolarHBondContact NH2-O 2.86Å; I1283-F1285 HydrophobicContact CB-CE2 3.84Å; I1283-F1285 HydrophobicContact CB-CZ 4.33Å; I1283-F1285 HydrophobicContact CG2-CD2 3.98Å; I1283-F1285 HydrophobicContact CG2-CE1 4.26Å; I1283-F1285 HydrophobicContact CG2-CE2 3.34Å; I1283-F1285 HydrophobicContact CG2-CZ 3.5Å; F1285-N1287 VanDerWaalsContact C-N 3.32Å; F1285-N1287 PolarHBondContact O-N 3.09Å; F1285-A1290 HydrophobicContact CB-CB 4.14Å; F1285-A1290 HydrophobicContact CD1-CB 3.97Å; F1285-A1290 HydrophobicContact CG-CB 4.33Å; F1285-A1291 HydrophobicContact CB-CB 4.15Å; F1285-A1291 HydrophobicContact CD2-CB 3.9Å; F1285-A1291 HydrophobicContact CG-CB 4.24Å; F1285-A1294 HydrophobicContact CE1-CB 3.78Å; F1285-A1294 HydrophobicContact CE2-CB 3.75Å; F1285-A1294 HydrophobicContact CZ-CB 3.23Å
1286V91.9Very high90.2Very high70 Ų7051.4 Ų51.442%0.42427%0.265SS..SBendtrans-57.9-46.8175.9-177.10000110.5L1265 R1267L1265-V1286 PolarHBondContact O-N 2.99Å; R1267-V1286 HydrophobicContact CB-CG2 4.33Å; R1267-V1286 PolarHBondContact NH1-O 3.4Å
1287N92.3Very high90.9Very high86 Ų8648.2 Ų48.246%0.4625%0.25SS..SBendtrans-117.4150.6-174.4-67.6-7.7000113.3F1285 E1289 A1290 A1291F1285-N1287 VanDerWaalsContact C-N 3.32Å; F1285-N1287 PolarHBondContact O-N 3.09Å; N1287-E1289 VanDerWaalsContact C-N 3.28Å; N1287-E1289 PolarHBondContact O-N 3.16Å; N1287-A1290 HydrophobicContact CB-CB 4.35Å; N1287-A1290 PolarHBondContact O-N 2.78Å; N1287-A1291 PolarHBondContact O-N 2.89Å; N1287-A1291 VanDerWaalsContact O-N 3.16Å
1288N93.2Very high91.7Very high50 Ų5047 Ų4727%0.26724%0.236SC..Hα-helixtrans-61.5-34173.5170.3-115000113K1239 A1291 K1292K1239-N1288 HydrophobicContact CB-CB 4.42Å; K1239-N1288 WeakPolarHBondContact O-CA 3.26Å; K1239-N1288 PolarHBondContact O-ND2 3.49Å; N1288-A1291 PolarHBondContact O-N 2.87Å; N1288-K1292 WeakPolarHBondContact O-CG 3.46Å; N1288-K1292 PolarHBondContact O-N 2.81Å; N1288-K1292 WeakPolarHBondContact OD1-CE 3.34Å; N1288-K1292 PolarHBondContact OD1-NZ 2.65Å
1289E93.3Very high92Very high146 Ų14647.7 Ų47.768%0.68224%0.238SC*.Hα-helixtrans-69.7-39.7179.3-67170.7173.800111.8N1287 A1291 K1292 S1293N1287-E1289 VanDerWaalsContact C-N 3.28Å; N1287-E1289 PolarHBondContact O-N 3.16Å; E1289-A1291 VanDerWaalsContact C-N 3.34Å; E1289-A1291 PolarHBondContact O-N 3.34Å; E1289-K1292 WeakPolarHBondContact O-CB 3.43Å; E1289-K1292 PolarHBondContact O-N 2.73Å; E1289-S1293 PolarHBondContact O-N 3.4Å; E1289-S1293 PolarHBondContact O-OG 2.9Å
1290A93Very high92Very high7 Ų751 Ų516%0.05826%0.264CS..Hα-helixtrans-64-38.4172.800000112L1265 F1285 N1287 S1293 A1294L1265-A1290 HydrophobicContact CB-CB 3.95Å; L1265-A1290 HydrophobicContact CD1-CB 3.81Å; F1285-A1290 HydrophobicContact CB-CB 4.14Å; F1285-A1290 HydrophobicContact CD1-CB 3.97Å; F1285-A1290 HydrophobicContact CG-CB 4.33Å; N1287-A1290 HydrophobicContact CB-CB 4.35Å; N1287-A1290 PolarHBondContact O-N 2.78Å; A1290-S1293 PolarHBondContact O-OG 2.82Å; A1290-S1293 VanDerWaalsContact O-OG 3.09Å; A1290-A1294 VanDerWaalsContact O-CB 3.23Å; A1290-A1294 WeakPolarHBondContact O-CB 3.5Å; A1290-A1294 PolarHBondContact O-N 2.92Å
1291A94Very high91.4Very high0 Ų052 Ų520%029%0.289CS..Hα-helixtrans-66-38.1172.700000112.4T1240 L1242 F1285 N1287 N1288 E1289 L1295 F1309T1240-A1291 WeakPolarHBondContact O-CB 3.23Å; L1242-A1291 HydrophobicContact CD2-CB 4.31Å; L1242-A1291 HydrophobicContact CG-CB 4.5Å; F1285-A1291 HydrophobicContact CB-CB 4.15Å; F1285-A1291 HydrophobicContact CD2-CB 3.9Å; F1285-A1291 HydrophobicContact CG-CB 4.24Å; N1287-A1291 PolarHBondContact O-N 2.89Å; N1287-A1291 VanDerWaalsContact O-N 3.16Å; N1288-A1291 PolarHBondContact O-N 2.87Å; E1289-A1291 VanDerWaalsContact C-N 3.34Å; E1289-A1291 PolarHBondContact O-N 3.34Å; A1291-L1295 WeakPolarHBondContact O-CB 3.4Å; A1291-L1295 PolarHBondContact O-N 2.79Å; A1291-F1309 HydrophobicContact CB-CE1 3.85Å
1292K93.9Very high90.9Very high102 Ų10255 Ų5544%0.44331%0.305SS..Hα-helixtrans-65.4-46.7174-75.4164.7169162.20112.2N1288 E1289 L1295 L1296 F1309N1288-K1292 WeakPolarHBondContact O-CG 3.46Å; N1288-K1292 PolarHBondContact O-N 2.81Å; N1288-K1292 WeakPolarHBondContact OD1-CE 3.34Å; N1288-K1292 PolarHBondContact OD1-NZ 2.65Å; E1289-K1292 WeakPolarHBondContact O-CB 3.43Å; E1289-K1292 PolarHBondContact O-N 2.73Å; K1292-L1295 PolarHBondContact O-N 2.89Å; K1292-L1296 WeakPolarHBondContact O-CG 3.13Å; K1292-L1296 PolarHBondContact O-N 2.74Å; K1292-F1309 HydrophobicContact CG-CZ 4.01Å
1293S91.8Very high90Very high51 Ų5163.6 Ų63.636%0.35734%0.335SS..Hα-helixtrans-65.8-40.8179.565.50000111.4E1289 A1290 L1296 H1297E1289-S1293 PolarHBondContact O-N 3.4Å; E1289-S1293 PolarHBondContact O-OG 2.9Å; A1290-S1293 PolarHBondContact O-OG 2.82Å; A1290-S1293 VanDerWaalsContact O-OG 3.09Å; S1293-L1296 PolarHBondContact O-N 2.74Å; S1293-H1297 VanDerWaalsContact O-CB 3.26Å; S1293-H1297 WeakPolarHBondContact O-CB 3.17Å; S1293-H1297 PolarHBondContact O-N 3.22Å
1294A92.1Very high89.5Confident0 Ų071.9 Ų71.90%037%0.374CS..Hα-helixtrans-64.5-42.4173.600000113L1242 P1261 F1285 A1290 L1296 H1297 I1298L1242-A1294 HydrophobicContact CD1-CB 3.93Å; P1261-A1294 HydrophobicContact CG-CB 4.36Å; F1285-A1294 HydrophobicContact CE1-CB 3.78Å; F1285-A1294 HydrophobicContact CE2-CB 3.75Å; F1285-A1294 HydrophobicContact CZ-CB 3.23Å; A1290-A1294 VanDerWaalsContact O-CB 3.23Å; A1290-A1294 WeakPolarHBondContact O-CB 3.5Å; A1290-A1294 PolarHBondContact O-N 2.92Å; A1294-L1296 VanDerWaalsContact C-N 3.35Å; A1294-L1296 PolarHBondContact O-N 2.66Å; A1294-H1297 PolarHBondContact O-N 3.07Å; A1294-I1298 VanDerWaalsContact O-CG1 3.3Å; A1294-I1298 WeakPolarHBondContact O-CG1 3.26Å; A1294-I1298 PolarHBondContact O-N 2.95Å
1295L92.5Very high89.4Confident23 Ų2371 Ų7112%0.1237%0.37CS..Hα-helixtrans-56.7-47.8174.6171.564.3000111.4L1242 A1291 K1292 K1299 V1307 F1309L1242-L1295 HydrophobicContact CD1-CB 4.02Å; L1242-L1295 HydrophobicContact CD2-CB 4.03Å; A1291-L1295 WeakPolarHBondContact O-CB 3.4Å; A1291-L1295 PolarHBondContact O-N 2.79Å; K1292-L1295 PolarHBondContact O-N 2.89Å; L1295-K1299 WeakPolarHBondContact O-CB 3.4Å; L1295-K1299 PolarHBondContact O-N 3.02Å; L1295-V1307 HydrophobicContact CD1-CB 3.91Å; L1295-V1307 HydrophobicContact CD1-CG1 3.62Å; L1295-V1307 WeakPolarHBondContact CD1-O 3.44Å; L1295-F1309 HydrophobicContact CD2-CD2 3.97Å; L1295-F1309 HydrophobicContact CD2-CE2 3.45Å; L1295-F1309 VanDerWaalsContact CD2-CE2 3.45Å; L1295-F1309 HydrophobicContact CD2-CZ 4.02Å
1296L91Very high89.2Confident116 Ų11676.7 Ų76.761%0.60739%0.392SS*.Hα-helixtrans-67.2-41.2177.6-68.4173.4000111.9K1292 S1293 A1294 S1300K1292-L1296 WeakPolarHBondContact O-CG 3.13Å; K1292-L1296 PolarHBondContact O-N 2.74Å; S1293-L1296 PolarHBondContact O-N 2.74Å; A1294-L1296 VanDerWaalsContact C-N 3.35Å; A1294-L1296 PolarHBondContact O-N 2.66Å; L1296-S1300 VanDerWaalsContact O-CB 3.26Å; L1296-S1300 WeakPolarHBondContact O-CB 3.38Å; L1296-S1300 PolarHBondContact O-N 3.07Å; L1296-S1300 PolarHBondContact O-OG 2.85Å
1297H89.6Confident89.3Confident104 Ų10473.4 Ų73.448%0.48137%0.372SS..Hα-helixtrans-62.9-54.5180-172.780.2000112.1P1261 S1293 A1294 K1299 S1300 G1301P1261-H1297 HydrophobicContact CG-CB 4.06Å; S1293-H1297 VanDerWaalsContact O-CB 3.26Å; S1293-H1297 WeakPolarHBondContact O-CB 3.17Å; S1293-H1297 PolarHBondContact O-N 3.22Å; A1294-H1297 PolarHBondContact O-N 3.07Å; H1297-K1299 PolarHBondContact O-N 3.11Å; H1297-S1300 PolarHBondContact O-N 2.86Å; H1297-G1301 PolarHBondContact O-N 3.1Å
1298I89.6Confident89.3Confident4 Ų471.9 Ų71.92%0.02136%0.364CS..Hα-helixtrans-62.9-44.8-177.5-58.7162.7000110.2I1244 L1259 A1294 S1300 G1301 N1302 I1305 V1307I1244-I1298 HydrophobicContact CD1-CD1 4.06Å; L1259-I1298 HydrophobicContact CB-CD1 4.28Å; L1259-I1298 HydrophobicContact CB-CG1 4.22Å; L1259-I1298 WeakPolarHBondContact O-CG1 3.49Å; A1294-I1298 VanDerWaalsContact O-CG1 3.3Å; A1294-I1298 WeakPolarHBondContact O-CG1 3.26Å; A1294-I1298 PolarHBondContact O-N 2.95Å; I1298-S1300 VanDerWaalsContact C-N 3.26Å; I1298-S1300 PolarHBondContact O-N 3.38Å; I1298-G1301 PolarHBondContact O-N 2.84Å; I1298-N1302 PolarHBondContact O-N 3.29Å; I1298-I1305 HydrophobicContact CG2-CG2 4.11Å; I1298-V1307 HydrophobicContact CB-CG2 4Å; I1298-V1307 HydrophobicContact CG2-CG2 3.52Å
1299K89.4Confident89.4Confident84 Ų8472 Ų7237%0.36536%0.362SS..Hα-helixtrans-66.1-26179.9-171167.7-173.7165.50113.8L1224 L1295 H1297L1224-K1299 VanDerWaalsContact CD2-NZ 3.35Å; L1295-K1299 WeakPolarHBondContact O-CB 3.4Å; L1295-K1299 PolarHBondContact O-N 3.02Å; H1297-K1299 PolarHBondContact O-N 3.11Å
1300S86.4Confident89.3Confident96 Ų9665.2 Ų65.267%0.67133%0.331SS*.Hα-helixtrans-84.3-39174.3-56.50000112.1L1296 H1297 I1298L1296-S1300 VanDerWaalsContact O-CB 3.26Å; L1296-S1300 WeakPolarHBondContact O-CB 3.38Å; L1296-S1300 PolarHBondContact O-N 3.07Å; L1296-S1300 PolarHBondContact O-OG 2.85Å; H1297-S1300 PolarHBondContact O-N 2.86Å; I1298-S1300 VanDerWaalsContact C-N 3.26Å; I1298-S1300 PolarHBondContact O-N 3.38Å
1301G80.1Confident89.1Confident68 Ų6872.9 Ų72.970%0.70136%0.36SS*.Hα-helixtrans-76.2-34.1-176.600000114.4H1297 I1298H1297-G1301 PolarHBondContact O-N 3.1Å; I1298-G1301 PolarHBondContact O-N 2.84Å
1302N80.2Confident88.6Confident62 Ų6276.9 Ų76.933%0.33238%0.378SS..  trans-138.7104.8179.9-165.9-18.6000112.2I1298 E1304 I1305I1298-N1302 PolarHBondContact O-N 3.29Å; N1302-E1304 VanDerWaalsContact C-N 3.27Å; N1302-E1304 PolarHBondContact O-N 3.26Å; N1302-E1304 PolarHBondContact OD1-N 3.4Å; N1302-I1305 HydrophobicContact CB-CB 4.44Å; N1302-I1305 HydrophobicContact CB-CD1 3.97Å; N1302-I1305 HydrophobicContact CB-CG1 4.14Å; N1302-I1305 WeakPolarHBondContact ND2-CD1 3.14Å; N1302-I1305 PolarHBondContact O-N 2.9Å
1303R76.2Confident87.9Confident236 Ų23674.5 Ų74.589%0.89138%0.375SS*.THydrogen-bonded Turntrans-71.8-16.8-175.8-63.1-177.8-177.7178.50.4114.4
1304E83.7Confident87.5Confident174 Ų17476 Ų7681%0.81338%0.376SS*.THydrogen-bonded Turntrans-83.9-19.8178.3-62.9178.4176.900111.7N1302N1302-E1304 VanDerWaalsContact C-N 3.27Å; N1302-E1304 PolarHBondContact O-N 3.26Å; N1302-E1304 PolarHBondContact OD1-N 3.4Å
1305I88.8Confident87.2Confident12 Ų1280.3 Ų80.36%0.06239%0.394CS..SBendtrans-87.7117.3177.8-59.9-180000109.8I1244 L1247 L1259 I1298 N1302 V1307I1244-I1305 HydrophobicContact CG2-CG2 3.48Å; I1244-I1305 VanDerWaalsContact CG2-CG2 3.48Å; L1247-I1305 HydrophobicContact CD2-CD1 3.94Å; L1247-I1305 HydrophobicContact CD2-CG1 4.43Å; L1247-I1305 HydrophobicContact CD2-CG2 4.44Å; L1259-I1305 HydrophobicContact CD1-CD1 3.99Å; L1259-I1305 HydrophobicContact CD2-CD1 4.19Å; I1298-I1305 HydrophobicContact CG2-CG2 4.11Å; N1302-I1305 HydrophobicContact CB-CB 4.44Å; N1302-I1305 HydrophobicContact CB-CD1 3.97Å; N1302-I1305 HydrophobicContact CB-CG1 4.14Å; N1302-I1305 WeakPolarHBondContact ND2-CD1 3.14Å; N1302-I1305 PolarHBondContact O-N 2.9Å; I1305-V1307 HydrophobicContact CG2-CG2 3.75Å
1306Y91.1Very high87Confident119 Ų11980.6 Ų80.647%0.46740%0.396SS..EExtended strand (participates in β ladder)trans-79.1120.6169.4172.3-87.4000109.6Y1243 I1244 R1245 N1308Y1243-Y1306 HydrophobicContact CD1-CD1 4.38Å; Y1243-Y1306 AromaticContact CD1-CE1 3.94Å; Y1243-Y1306 HydrophobicContact CD1-CE1 3.94Å; Y1243-Y1306 HydrophobicContact CE1-CD1 4.16Å; Y1243-Y1306 AromaticContact CE1-CE1 3.85Å; Y1243-Y1306 HydrophobicContact CE1-CE1 3.85Å; I1244-Y1306 CarbonylContact C-O 3.53Å; I1244-Y1306 WeakPolarHBondContact CA-O 3.41Å; R1245-Y1306 HydrophobicContact CB-CD1 4.03Å; R1245-Y1306 PolarHBondContact N-O 2.95Å; R1245-Y1306 PolarHBondContact O-N 3.48Å; Y1306-N1308 HydrophobicContact CE1-CB 4.18Å; Y1306-N1308 PolarHBondContact OH-ND2 2.79Å
1307V92.4Very high86.9Confident2 Ų277.6 Ų77.61%0.01238%0.384CS..EExtended strand (participates in β ladder)trans-125.5136.6172.3-169.20000110.4L1242 Y1243 I1244 L1295 I1298 I1305L1242-V1307 HydrophobicContact CB-CG1 4.04Å; L1242-V1307 HydrophobicContact CD1-CG1 4.08Å; Y1243-V1307 WeakPolarHBondContact O-CA 3.43Å; I1244-V1307 HydrophobicContact CG1-CG1 3.96Å; I1244-V1307 HydrophobicContact CG1-CG2 4.03Å; I1244-V1307 HydrophobicContact CG2-CG2 4.33Å; L1295-V1307 HydrophobicContact CD1-CB 3.91Å; L1295-V1307 HydrophobicContact CD1-CG1 3.62Å; L1295-V1307 WeakPolarHBondContact CD1-O 3.44Å; I1298-V1307 HydrophobicContact CB-CG2 4Å; I1298-V1307 HydrophobicContact CG2-CG2 3.52Å; I1305-V1307 HydrophobicContact CG2-CG2 3.75Å
1308N94.2Very high87Confident53 Ų5375.1 Ų75.128%0.28337%0.372SS..EExtended strand (participates in β ladder)trans-152.9166.8170.5-102.7-31.1000110L1242 Y1243 Y1306 A1310L1242-N1308 CarbonylContact C-O 3.56Å; L1242-N1308 WeakPolarHBondContact CA-O 3.47Å; Y1243-N1308 PolarHBondContact N-O 3.05Å; Y1243-N1308 PolarHBondContact O-N 3.02Å; Y1243-N1308 VanDerWaalsContact O-N 3.08Å; Y1306-N1308 HydrophobicContact CE1-CB 4.18Å; Y1306-N1308 PolarHBondContact OH-ND2 2.79Å; N1308-A1310 PolarHBondContact O-N 2.98Å
1309F94.2Very high87.3Confident52 Ų5276.3 Ų76.323%0.22838%0.379CS..EExtended strand (participates in β ladder)trans-60132.5171.1-71.9-76.7000111A1237 S1238 N1241 L1242 A1291 K1292 L1295A1237-F1309 HydrophobicContact CB-CB 4.22Å; S1238-F1309 WeakPolarHBondContact O-CD1 3.41Å; N1241-F1309 WeakPolarHBondContact O-CA 3.38Å; L1242-F1309 HydrophobicContact CD2-CD1 3.71Å; L1242-F1309 HydrophobicContact CD2-CE1 3.74Å; L1242-F1309 HydrophobicContact CD2-CG 4.27Å; L1242-F1309 HydrophobicContact CD2-CZ 4.32Å; A1291-F1309 HydrophobicContact CB-CE1 3.85Å; K1292-F1309 HydrophobicContact CG-CZ 4.01Å; L1295-F1309 HydrophobicContact CD2-CD2 3.97Å; L1295-F1309 HydrophobicContact CD2-CE2 3.45Å; L1295-F1309 VanDerWaalsContact CD2-CE2 3.45Å; L1295-F1309 HydrophobicContact CD2-CZ 4.02Å
1310A91.8Very high87.5Confident4 Ų472.3 Ų72.33%0.03336%0.361CS..EExtended strand (participates in β ladder)trans-68.2140.3178.200000110.2S1238 N1241 F1282 N1308 E1312S1238-A1310 WeakPolarHBondContact CB-O 3.42Å; S1238-A1310 PolarHBondContact N-O 2.81Å; S1238-A1310 PolarHBondContact OG-O 2.9Å; N1241-A1310 HydrophobicContact CB-CB 4.17Å; N1241-A1310 PolarHBondContact O-N 3.5Å; F1282-A1310 HydrophobicContact CD1-CB 4.02Å; F1282-A1310 HydrophobicContact CE1-CB 4.13Å; N1308-A1310 PolarHBondContact O-N 2.98Å; A1310-E1312 PolarHBondContact O-N 3.22Å
1311Y89.3Confident87.9Confident169 Ų16971.3 Ų71.366%0.66334%0.343SS*.EExtended strand (participates in β ladder)trans-73.7120.9170.3-68.2-70.7000109.8K1235K1235-Y1311 HydrophobicContact CB-CD1 3.65Å; K1235-Y1311 HydrophobicContact CB-CE1 3.7Å; K1235-Y1311 HydrophobicContact CD-CD1 4.31Å; K1235-Y1311 HydrophobicContact CD-CE1 4.12Å
1312E81.8Confident88.5Confident83 Ų8368 Ų6839%0.38831%0.31SS..PPolyproline II helixtrans-84.7146.6165.9-107.5179.9115.900110.2H1236 S1238 A1310 K1315H1236-E1312 PolarHBondContact O-N 3.45Å; S1238-E1312 WeakPolarHBondContact CA-OE2 3.32Å; S1238-E1312 WeakPolarHBondContact CB-OE2 3.49Å; A1310-E1312 PolarHBondContact O-N 3.22Å; E1312-K1315 WeakPolarHBondContact OE1-CE 3.15Å; E1312-K1315 IonicContact OE1-NZ 2.69Å; E1312-K1315 PolarHBondContact OE1-NZ 2.97Å
1313S80.3Confident89Confident53 Ų5366.2 Ų66.237%0.37130%0.301SS..PPolyproline II helixtrans-62.8146.5166.7-55.90000110.6K1315 D1402S1313-K1315 PolarHBondContact O-N 3.14Å; S1313-D1402 WeakPolarHBondContact CB-OD1 3.49Å; S1313-D1402 WeakPolarHBondContact CB-OD2 3.36Å; S1313-D1402 PolarHBondContact OG-OD2 3.42Å
1314E82.9Confident89.6Confident83 Ų8357.5 Ų57.539%0.38827%0.272SS..PPolyproline II helixtrans-68.8131.3159.6-165.9-171.2-164.100107.6R1403E1314-R1403 WeakPolarHBondContact O-CB 3.41Å; E1314-R1403 PolarHBondContact O-N 3.22Å; E1314-R1403 IonicContact OE1-CZ 2.77Å; E1314-R1403 IonicContact OE1-NH1 3.71Å; E1314-R1403 PolarHBondContact OE1-NH1 3.33Å; E1314-R1403 WeakPolarHBondContact OE2-CD 3.25Å; E1314-R1403 IonicContact OE2-CZ 2.96Å; E1314-R1403 IonicContact OE2-NE 3.95Å; E1314-R1403 IonicContact OE2-NH1 2.65Å; E1314-R1403 PolarHBondContact OE2-NH1 3.07Å
1315K85.6Confident89.8Confident89 Ų8949.2 Ų49.239%0.38723%0.234SC..EExtended strand (participates in β ladder)trans-91.8142.2-176.6-67.8166.6-168.7165.90110.1E1312 S1313 P1317 L1400 A1401E1312-K1315 WeakPolarHBondContact OE1-CE 3.15Å; E1312-K1315 IonicContact OE1-NZ 2.69Å; E1312-K1315 PolarHBondContact OE1-NZ 2.97Å; S1313-K1315 PolarHBondContact O-N 3.14Å; K1315-P1317 WeakPolarHBondContact O-CD 3.35Å; K1315-L1400 HydrophobicContact CB-CB 4.02Å; K1315-L1400 HydrophobicContact CB-CD1 4.32Å; K1315-L1400 HydrophobicContact CD-CB 4.46Å; K1315-A1401 CarbonylContact C-O 3.47Å; K1315-A1401 WeakPolarHBondContact CA-O 3.38Å
1316D88.3Confident89.6Confident29 Ų2948.7 Ų48.716%0.15523%0.231CC..EExtended strand (participates in β ladder)trans-81.2114.1175.8-175.6-17.1000108.1Q1318 N1319 A1401 R1403D1316-Q1318 PolarHBondContact O-N 3.18Å; D1316-Q1318 VanDerWaalsContact O-N 3.17Å; D1316-Q1318 PolarHBondContact OD1-N 3.17Å; D1316-N1319 HydrophobicContact CB-CB 3.86Å; D1316-N1319 PolarHBondContact O-N 2.91Å; D1316-N1319 PolarHBondContact OD1-N 2.97Å; D1316-N1319 WeakPolarHBondContact OD2-CB 3.39Å; D1316-A1401 PolarHBondContact N-O 3.29Å; D1316-R1403 HydrophobicContact CB-CG 3.73Å
1317P89.1Confident89.1Confident53 Ų5347.3 Ų47.334%0.34423%0.228SC..EExtended strand (participates in β ladder)trans-69.7-10.4-176.732.1-37.6000113.4K1315 S1372 A1375K1315-P1317 WeakPolarHBondContact O-CD 3.35Å; P1317-S1372 VanDerWaalsContact O-CA 3.26Å; P1317-S1372 WeakPolarHBondContact O-CA 3.45Å; P1317-S1372 WeakPolarHBondContact O-CB 3.42Å; P1317-A1375 WeakPolarHBondContact O-CB 3.26Å
1318Q92.6Very high88.5Confident53 Ų5350.6 Ų50.625%0.24825%0.252CS..EExtended strand (participates in β ladder)trans-103-22.6177-68.9-176.2-23.100113.7D1316 R1368 F1369 V1370D1316-Q1318 PolarHBondContact O-N 3.18Å; D1316-Q1318 VanDerWaalsContact O-N 3.17Å; D1316-Q1318 PolarHBondContact OD1-N 3.17Å; Q1318-R1368 HydrophobicContact CB-CG 4.18Å; Q1318-R1368 CarbonylContact O-C 3.56Å; Q1318-R1368 WeakPolarHBondContact O-CA 3.08Å; Q1318-F1369 PolarHBondContact O-N 2.87Å; Q1318-V1370 PolarHBondContact NE2-O 2.96Å
1319N94.3Very high87.9Confident29 Ų2949.4 Ų49.416%0.15524%0.243CC..EExtended strand (participates in β ladder)trans-104.1132.7-173.1-169.926000110.8D1316 V1367 R1368 A1401D1316-N1319 HydrophobicContact CB-CB 3.86Å; D1316-N1319 PolarHBondContact O-N 2.91Å; D1316-N1319 PolarHBondContact OD1-N 2.97Å; D1316-N1319 WeakPolarHBondContact OD2-CB 3.39Å; N1319-V1367 PolarHBondContact OD1-O 2.81Å; N1319-R1368 HydrophobicContact CB-CB 4.35Å; N1319-R1368 HydrophobicContact CB-CG 4.2Å; N1319-A1401 HydrophobicContact CB-CB 4.01Å; N1319-A1401 WeakPolarHBondContact O-CB 3.41Å; N1319-A1401 PolarHBondContact O-N 3.14Å
1320V94.3Very high87.2Confident0 Ų049.8 Ų49.80%025%0.25CS..EExtended strand (participates in β ladder)trans-118.7124.6-171.3-179.40000108.6I1322 F1341 F1366 V1367 F1369 A1375 I1379 V1398 K1399V1320-I1322 HydrophobicContact CG1-CG1 4.41Å; V1320-F1341 HydrophobicContact CG1-CE1 4.31Å; V1320-F1366 CarbonylContact O-C 3.59Å; V1320-F1366 VanDerWaalsContact O-CA 3.26Å; V1320-F1366 WeakPolarHBondContact O-CA 3.48Å; V1320-V1367 WeakPolarHBondContact CA-O 3.21Å; V1320-V1367 VanDerWaalsContact CB-O 3.29Å; V1320-V1367 WeakPolarHBondContact CB-O 3.32Å; V1320-V1367 PolarHBondContact N-O 2.92Å; V1320-V1367 PolarHBondContact O-N 3.03Å; V1320-F1369 HydrophobicContact CG2-CD2 3.92Å; V1320-F1369 HydrophobicContact CG2-CE2 3.92Å; V1320-A1375 HydrophobicContact CG2-CB 3.62Å; V1320-I1379 HydrophobicContact CG1-CD1 4.42Å; V1320-I1379 HydrophobicContact CG1-CG1 3.93Å; V1320-I1379 HydrophobicContact CG2-CD1 4.22Å; V1320-I1379 HydrophobicContact CG2-CG1 4.33Å; V1320-V1398 HydrophobicContact CG1-CG1 3.19Å; V1320-K1399 CarbonylContact C-O 3.6Å; V1320-K1399 WeakPolarHBondContact CA-O 3.48Å; V1320-K1399 WeakPolarHBondContact CG1-O 3.48Å
1321Y94.4Very high86.6Confident74 Ų7453 Ų5329%0.2928%0.276SS..EExtended strand (participates in β ladder)trans-90.6138172.3178.9-115.2000110.2T1323 M1353 A1364 G1365 F1366 K1399Y1321-T1323 HydrophobicContact CE1-CG2 3.56Å; Y1321-T1323 WeakPolarHBondContact OH-CG2 3.26Å; Y1321-M1353 HydrophobicContact CE2-SD 3.98Å; Y1321-A1364 HydrophobicContact CE2-CB 3.82Å; Y1321-A1364 WeakPolarHBondContact OH-CB 3.23Å; Y1321-G1365 WeakPolarHBondContact CD2-O 3.38Å; Y1321-F1366 HydrophobicContact CD2-CD1 4.01Å; Y1321-F1366 AromaticContact CD2-CE1 3.47Å; Y1321-F1366 HydrophobicContact CD2-CE1 3.47Å; Y1321-F1366 VanDerWaalsContact CD2-CE1 3.47Å; Y1321-F1366 HydrophobicContact CD2-CE2 4.39Å; Y1321-F1366 AromaticContact CD2-CZ 3.69Å; Y1321-F1366 HydrophobicContact CD2-CZ 3.69Å; Y1321-F1366 HydrophobicContact CE2-CE1 4.42Å; Y1321-F1366 HydrophobicContact CE2-CZ 4.21Å; Y1321-F1366 HydrophobicContact CG-CE1 4.09Å; Y1321-K1399 PolarHBondContact N-O 2.83Å; Y1321-K1399 PolarHBondContact O-N 2.67Å
1322I92.4Very high86Confident0 Ų049 Ų490%027%0.273CS..EExtended strand (participates in β ladder)trans-127.6132.4-170.6-53.1163.6000108.4V1320 I1325 L1337 F1341 A1364 G1365 V1367 L1396 E1397V1320-I1322 HydrophobicContact CG1-CG1 4.41Å; I1322-I1325 HydrophobicContact CB-CD1 4.3Å; I1322-I1325 HydrophobicContact CG2-CD1 3.98Å; I1322-I1325 HydrophobicContact CG2-CG1 3.94Å; I1322-L1337 HydrophobicContact CD1-CD1 4.11Å; I1322-L1337 HydrophobicContact CD1-CD2 4.26Å; I1322-L1337 HydrophobicContact CD1-CG 4.33Å; I1322-F1341 HydrophobicContact CB-CZ 4.46Å; I1322-F1341 HydrophobicContact CD1-CD1 4.31Å; I1322-F1341 HydrophobicContact CD1-CD2 4.3Å; I1322-F1341 HydrophobicContact CD1-CE1 3.63Å; I1322-F1341 HydrophobicContact CD1-CE2 3.63Å; I1322-F1341 HydrophobicContact CD1-CZ 3.25Å; I1322-F1341 HydrophobicContact CG1-CE1 3.88Å; I1322-F1341 HydrophobicContact CG1-CE2 4.32Å; I1322-F1341 HydrophobicContact CG1-CZ 3.53Å; I1322-F1341 HydrophobicContact CG2-CE2 4.49Å; I1322-F1341 HydrophobicContact CG2-CZ 4.07Å; I1322-A1364 CarbonylContact O-C 3.48Å; I1322-A1364 WeakPolarHBondContact O-CA 3.35Å; I1322-A1364 WeakPolarHBondContact O-CB 3.45Å; I1322-G1365 PolarHBondContact N-O 3.37Å; I1322-G1365 PolarHBondContact O-N 3.22Å; I1322-V1367 HydrophobicContact CD1-CB 4.05Å; I1322-V1367 HydrophobicContact CD1-CG2 3.56Å; I1322-L1396 HydrophobicContact CG2-CD2 3.85Å; I1322-E1397 WeakPolarHBondContact CA-O 3.16Å
1323T90.5Very high86.1Confident24 Ų2446.6 Ų46.615%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-125.8163177.425.40000111.9Y1321 I1325 A1364 E1397Y1321-T1323 HydrophobicContact CE1-CG2 3.56Å; Y1321-T1323 WeakPolarHBondContact OH-CG2 3.26Å; T1323-I1325 VanDerWaalsContact C-N 3.34Å; T1323-A1364 HydrophobicContact CG2-CB 4.24Å; T1323-E1397 PolarHBondContact N-O 3.16Å; T1323-E1397 PolarHBondContact O-N 3.04Å; T1323-E1397 VanDerWaalsContact O-N 3.07Å; T1323-E1397 WeakPolarHBondContact OG1-CB 3.13Å; T1323-E1397 PolarHBondContact OG1-O 3.27Å; T1323-E1397 PolarHBondContact OG1-OE2 3.26Å; T1323-E1397 VanDerWaalsContact OG1-OE2 3.07Å
1324N89.2Confident86.4Confident53 Ų5345.4 Ų45.428%0.28325%0.253SS..  trans70.519.9-174-56.8-27.8000115.6G1363 P1395N1324-G1363 PolarHBondContact N-O 2.86Å; N1324-G1363 VanDerWaalsContact N-O 3.09Å; N1324-P1395 WeakPolarHBondContact CB-O 3.37Å; N1324-P1395 PolarHBondContact ND2-O 2.93Å
1325I88.7Confident86.7Confident0 Ų046.7 Ų46.70%026%0.259CS..  trans-60.4141.8166.8-53.6-174.7000108.9I1322 T1323 W1329 L1337 G1363 A1364 L1396I1322-I1325 HydrophobicContact CB-CD1 4.3Å; I1322-I1325 HydrophobicContact CG2-CD1 3.98Å; I1322-I1325 HydrophobicContact CG2-CG1 3.94Å; T1323-I1325 VanDerWaalsContact C-N 3.34Å; I1325-W1329 HydrophobicContact CG2-CB 3.99Å; I1325-W1329 HydrophobicContact CG2-CD2 3.85Å; I1325-W1329 HydrophobicContact CG2-CE3 3.52Å; I1325-W1329 HydrophobicContact CG2-CG 4.06Å; I1325-W1329 HydrophobicContact CG2-CZ3 4.33Å; I1325-L1337 HydrophobicContact CD1-CD1 3.68Å; I1325-G1363 PolarHBondContact N-O 2.96Å; I1325-G1363 VanDerWaalsContact N-O 3.11Å; I1325-G1363 WeakPolarHBondContact O-CA 3.31Å; I1325-A1364 VanDerWaalsContact CD1-C 3.49Å; I1325-L1396 HydrophobicContact CG1-CD2 4.09Å
1326P83.9Confident86.9Confident0 Ų045.2 Ų45.20%026%0.256CS..  trans-55.5145.1176.5-26.234.1000113.2S1328 W1329 L1389 E1390 N1391P1326-S1328 WeakPolarHBondContact CB-OG 3.5Å; P1326-S1328 PolarHBondContact O-N 3.4Å; P1326-W1329 HydrophobicContact CB-CG 4.23Å; P1326-W1329 HydrophobicContact CG-CD2 4.49Å; P1326-W1329 HydrophobicContact CG-CG 4.31Å; P1326-W1329 PolarHBondContact O-N 2.76Å; P1326-L1389 VanDerWaalsContact CD-CD1 3.48Å; P1326-L1389 HydrophobicContact CG-CB 3.71Å; P1326-L1389 HydrophobicContact CG-CD1 4.2Å; P1326-E1390 WeakPolarHBondContact CG-O 3.32Å; P1326-N1391 HydrophobicContact CB-CB 4.28Å
1327E81.7Confident87Confident90 Ų9043.9 Ų43.942%0.42125%0.248SC..THydrogen-bonded Turntrans-70.7-15.9175.8-72.3-171.5160.300113.2K1393E1327-K1393 WeakPolarHBondContact OE1-CE 3.32Å; E1327-K1393 IonicContact OE1-NZ 3.81Å; E1327-K1393 PolarHBondContact OE1-NZ 2.99Å; E1327-K1393 IonicContact OE2-NZ 2.75Å
1328S79.8Confident87.1Confident72 Ų7244 Ų4450%0.50324%0.244SC..THydrogen-bonded Turntrans-75.6-20.6174.751.70000114.3P1326P1326-S1328 WeakPolarHBondContact CB-OG 3.5Å; P1326-S1328 PolarHBondContact O-N 3.4Å
1329W81.1Confident87Confident28 Ų2848.2 Ų48.211%0.10626%0.263CS..  trans-72.7138.5-178.2-79.125.9000111.2I1325 P1326 N1333 D1336 L1337 I1340 C1361 L1389I1325-W1329 HydrophobicContact CG2-CB 3.99Å; I1325-W1329 HydrophobicContact CG2-CD2 3.85Å; I1325-W1329 HydrophobicContact CG2-CE3 3.52Å; I1325-W1329 HydrophobicContact CG2-CG 4.06Å; I1325-W1329 HydrophobicContact CG2-CZ3 4.33Å; P1326-W1329 HydrophobicContact CB-CG 4.23Å; P1326-W1329 HydrophobicContact CG-CD2 4.49Å; P1326-W1329 HydrophobicContact CG-CG 4.31Å; P1326-W1329 PolarHBondContact O-N 2.76Å; W1329-N1333 WeakPolarHBondContact CA-OD1 3.42Å; W1329-N1333 HydrophobicContact CB-CB 3.93Å; W1329-N1333 HydrophobicContact CD2-CB 3.65Å; W1329-N1333 HydrophobicContact CE3-CB 3.73Å; W1329-N1333 HydrophobicContact CG-CB 3.76Å; W1329-N1333 HydrophobicContact CZ3-CB 4.4Å; W1329-D1336 HydrophobicContact CH2-CB 3.57Å; W1329-D1336 HydrophobicContact CZ2-CB 3.99Å; W1329-D1336 HydrophobicContact CZ3-CB 4.1Å; W1329-L1337 HydrophobicContact CZ3-CB 4.1Å; W1329-L1337 HydrophobicContact CZ3-CD1 3.96Å; W1329-I1340 HydrophobicContact CH2-CD1 3.84Å; W1329-C1361 WeakPolarHBondContact O-CB 3.08Å; W1329-L1389 HydrophobicContact CE3-CD1 4.47Å; W1329-L1389 HydrophobicContact CH2-CD1 3.6Å; W1329-L1389 HydrophobicContact CH2-CD2 3.89Å; W1329-L1389 HydrophobicContact CH2-CG 4.42Å; W1329-L1389 HydrophobicContact CZ2-CD1 3.7Å; W1329-L1389 HydrophobicContact CZ2-CD2 3.65Å; W1329-L1389 HydrophobicContact CZ2-CG 4.29Å; W1329-L1389 HydrophobicContact CZ3-CD1 4Å
1330T79.6Confident86.8Confident60 Ų6048.6 Ų48.637%0.36827%0.265SS..  trans-125.1-166.1175.9860000111.2S1332 N1333T1330-S1332 PolarHBondContact O-N 2.76Å; T1330-S1332 VanDerWaalsContact O-N 3.11Å; T1330-S1332 PolarHBondContact OG1-N 2.63Å; T1330-S1332 PolarHBondContact OG1-OG 2.87Å; T1330-N1333 PolarHBondContact N-OD1 3.05Å; T1330-N1333 PolarHBondContact O-N 3.11Å
1331A77.6Confident86.8Confident71 Ų7148.6 Ų48.659%0.58727%0.265SS*.G310 helixtrans-59.7-17174.100000113.6V1334A1331-V1334 WeakPolarHBondContact O-CG2 3.21Å
1332S78.2Confident86.7Confident84 Ų8451 Ų5159%0.58728%0.279SS*.G310 helixtrans-63.1-40.616946.50000113.3T1330 V1334T1330-S1332 PolarHBondContact O-N 2.76Å; T1330-S1332 VanDerWaalsContact O-N 3.11Å; T1330-S1332 PolarHBondContact OG1-N 2.63Å; T1330-S1332 PolarHBondContact OG1-OG 2.87Å; S1332-V1334 PolarHBondContact O-N 3.43Å; S1332-V1334 VanDerWaalsContact O-N 3.1Å
1333N83.8Confident86.7Confident34 Ų3456.1 Ų56.118%0.18231%0.312CS..G310 helixtrans-83.617.8-170.9-56.389.1000113.1W1329 T1330 E1335 D1336 L1337W1329-N1333 WeakPolarHBondContact CA-OD1 3.42Å; W1329-N1333 HydrophobicContact CB-CB 3.93Å; W1329-N1333 HydrophobicContact CD2-CB 3.65Å; W1329-N1333 HydrophobicContact CE3-CB 3.73Å; W1329-N1333 HydrophobicContact CG-CB 3.76Å; W1329-N1333 HydrophobicContact CZ3-CB 4.4Å; T1330-N1333 PolarHBondContact N-OD1 3.05Å; T1330-N1333 PolarHBondContact O-N 3.11Å; N1333-E1335 VanDerWaalsContact C-N 3.27Å; N1333-D1336 WeakPolarHBondContact CA-OD2 3.26Å; N1333-D1336 VanDerWaalsContact CB-OD2 3.26Å; N1333-D1336 WeakPolarHBondContact CB-OD2 3.31Å; N1333-D1336 PolarHBondContact ND2-OD2 3.37Å; N1333-L1337 PolarHBondContact O-N 2.81Å; N1333-L1337 VanDerWaalsContact O-N 3.11Å
1334V87.3Confident86.8Confident28 Ų2857.1 Ų57.117%0.1731%0.313CS..Hα-helixtrans-69.5-26.4175170.20000111.3A1331 S1332 K1338 A1350 V1352A1331-V1334 WeakPolarHBondContact O-CG2 3.21Å; S1332-V1334 PolarHBondContact O-N 3.43Å; S1332-V1334 VanDerWaalsContact O-N 3.1Å; V1334-K1338 PolarHBondContact O-N 2.83Å; V1334-K1338 VanDerWaalsContact O-N 3.08Å; V1334-A1350 HydrophobicContact CG1-CB 3.99Å; V1334-A1350 VanDerWaalsContact CG1-O 3.28Å; V1334-A1350 WeakPolarHBondContact CG1-O 3.33Å; V1334-V1352 HydrophobicContact CG2-CB 4.24Å; V1334-V1352 HydrophobicContact CG2-CG2 3.93Å
1335E89.3Confident86.9Confident110 Ų11055 Ų5551%0.51431%0.305SS..Hα-helixtrans-75.9-42.9175.2-144.361.6-133.300111.7N1333 L1337 K1338 Q1339N1333-E1335 VanDerWaalsContact C-N 3.27Å; E1335-L1337 VanDerWaalsContact C-N 3.27Å; E1335-L1337 PolarHBondContact O-N 3.39Å; E1335-K1338 CarbonylContact O-C 3.49Å; E1335-K1338 WeakPolarHBondContact O-CA 3.05Å; E1335-K1338 WeakPolarHBondContact O-CB 3.49Å; E1335-K1338 PolarHBondContact O-N 3.08Å; E1335-K1338 VanDerWaalsContact OE1-CE 3.22Å; E1335-K1338 WeakPolarHBondContact OE1-CE 3.22Å; E1335-K1338 IonicContact OE1-NZ 2.62Å; E1335-K1338 PolarHBondContact OE1-NZ 3.45Å; E1335-K1338 VanDerWaalsContact OE2-CE 3.27Å; E1335-K1338 WeakPolarHBondContact OE2-CE 3.46Å; E1335-K1338 IonicContact OE2-NZ 3.62Å; E1335-K1338 PolarHBondContact OE2-NZ 3.42Å; E1335-Q1339 PolarHBondContact O-N 2.82Å
1336D88.8Confident87.2Confident58 Ų5858.2 Ų58.231%0.3133%0.325SS..Hα-helixtrans-55.5-44.8171.3-40.2-22.9000110.8W1329 N1333 K1338 Q1339 I1340W1329-D1336 HydrophobicContact CH2-CB 3.57Å; W1329-D1336 HydrophobicContact CZ2-CB 3.99Å; W1329-D1336 HydrophobicContact CZ3-CB 4.1Å; N1333-D1336 WeakPolarHBondContact CA-OD2 3.26Å; N1333-D1336 VanDerWaalsContact CB-OD2 3.26Å; N1333-D1336 WeakPolarHBondContact CB-OD2 3.31Å; N1333-D1336 PolarHBondContact ND2-OD2 3.37Å; D1336-K1338 VanDerWaalsContact C-N 3.31Å; D1336-K1338 PolarHBondContact O-N 2.96Å; D1336-Q1339 PolarHBondContact O-N 3.43Å; D1336-I1340 WeakPolarHBondContact O-CD1 3.21Å; D1336-I1340 WeakPolarHBondContact O-CG1 3.4Å; D1336-I1340 PolarHBondContact O-N 2.88Å; D1336-I1340 VanDerWaalsContact O-N 3.13Å
1337L89.7Confident87.6Confident0 Ų060 Ų600%034%0.335CS..Hα-helixtrans-60.2-38.5174.2-163.782.8000112.1I1322 I1325 W1329 N1333 E1335 F1341 A1350 V1352 V1367I1322-L1337 HydrophobicContact CD1-CD1 4.11Å; I1322-L1337 HydrophobicContact CD1-CD2 4.26Å; I1322-L1337 HydrophobicContact CD1-CG 4.33Å; I1325-L1337 HydrophobicContact CD1-CD1 3.68Å; W1329-L1337 HydrophobicContact CZ3-CB 4.1Å; W1329-L1337 HydrophobicContact CZ3-CD1 3.96Å; N1333-L1337 PolarHBondContact O-N 2.81Å; N1333-L1337 VanDerWaalsContact O-N 3.11Å; E1335-L1337 VanDerWaalsContact C-N 3.27Å; E1335-L1337 PolarHBondContact O-N 3.39Å; L1337-F1341 VanDerWaalsContact O-CD2 3.27Å; L1337-F1341 WeakPolarHBondContact O-CD2 3.26Å; L1337-F1341 PolarHBondContact O-N 3.11Å; L1337-A1350 HydrophobicContact CD2-CB 4.33Å; L1337-V1352 HydrophobicContact CD2-CG2 4.17Å; L1337-V1367 HydrophobicContact CD2-CG2 3.8Å; L1337-V1367 HydrophobicContact CG-CG2 4.08Å
1338K92Very high88.2Confident56 Ų5658.4 Ų58.424%0.24334%0.337CS..Hα-helixtrans-67.1-47.1173.8-82.9-173.9-92.4155.40111.4V1334 E1335 D1336 I1340 F1341 Q1342 I1347 A1350V1334-K1338 PolarHBondContact O-N 2.83Å; V1334-K1338 VanDerWaalsContact O-N 3.08Å; E1335-K1338 CarbonylContact O-C 3.49Å; E1335-K1338 WeakPolarHBondContact O-CA 3.05Å; E1335-K1338 WeakPolarHBondContact O-CB 3.49Å; E1335-K1338 PolarHBondContact O-N 3.08Å; E1335-K1338 VanDerWaalsContact OE1-CE 3.22Å; E1335-K1338 WeakPolarHBondContact OE1-CE 3.22Å; E1335-K1338 IonicContact OE1-NZ 2.62Å; E1335-K1338 PolarHBondContact OE1-NZ 3.45Å; E1335-K1338 VanDerWaalsContact OE2-CE 3.27Å; E1335-K1338 WeakPolarHBondContact OE2-CE 3.46Å; E1335-K1338 IonicContact OE2-NZ 3.62Å; E1335-K1338 PolarHBondContact OE2-NZ 3.42Å; D1336-K1338 VanDerWaalsContact C-N 3.31Å; D1336-K1338 PolarHBondContact O-N 2.96Å; K1338-I1340 VanDerWaalsContact C-N 3.25Å; K1338-I1340 PolarHBondContact O-N 2.87Å; K1338-F1341 CarbonylContact O-C 3.52Å; K1338-F1341 PolarHBondContact O-N 2.93Å; K1338-Q1342 VanDerWaalsContact O-CB 3.23Å; K1338-Q1342 WeakPolarHBondContact O-CB 3.12Å; K1338-Q1342 PolarHBondContact O-N 3.35Å; K1338-I1347 HydrophobicContact CB-CD1 4.04Å; K1338-I1347 HydrophobicContact CD-CG2 4.48Å; K1338-I1347 HydrophobicContact CG-CD1 3.93Å; K1338-I1347 HydrophobicContact CG-CG2 4.26Å; K1338-I1347 WeakPolarHBondContact O-CD1 3.42Å; K1338-A1350 HydrophobicContact CD-CB 4.07Å; K1338-A1350 HydrophobicContact CG-CB 3.42Å; K1338-A1350 VanDerWaalsContact CG-CB 3.42Å
1339Q91.1Very high88.8Confident142 Ų14258.7 Ų58.766%0.66434%0.335SS*.Hα-helixtrans-58.4-36.8-177-169.7177.55.200112.4E1335 D1336 P1343E1335-Q1339 PolarHBondContact O-N 2.82Å; D1336-Q1339 PolarHBondContact O-N 3.43Å; Q1339-P1343 WeakPolarHBondContact O-CD 3.42Å
1340I90.4Very high89.4Confident37 Ų3758 Ų5819%0.1934%0.336CS..Hα-helixtrans-68.9-35.5176-65.2161.6000112.2W1329 D1336 K1338 Y1344 I1387 L1389 L1396W1329-I1340 HydrophobicContact CH2-CD1 3.84Å; D1336-I1340 WeakPolarHBondContact O-CD1 3.21Å; D1336-I1340 WeakPolarHBondContact O-CG1 3.4Å; D1336-I1340 PolarHBondContact O-N 2.88Å; D1336-I1340 VanDerWaalsContact O-N 3.13Å; K1338-I1340 VanDerWaalsContact C-N 3.25Å; K1338-I1340 PolarHBondContact O-N 2.87Å; I1340-Y1344 WeakPolarHBondContact O-CE2 3.3Å; I1340-I1387 HydrophobicContact CG2-CD1 4.22Å; I1340-L1389 HydrophobicContact CD1-CD1 4.47Å; I1340-L1389 HydrophobicContact CD1-CD2 3.75Å; I1340-L1396 HydrophobicContact CG2-CD1 4.25Å
1341F92.4Very high89.9Confident0 Ų059.9 Ų59.90%034%0.342CS..Hα-helixtrans-94.4-19.4-174.4-79.4-108.3000113.6V1320 I1322 L1337 K1338 P1343 Y1344 I1347 V1367 F1369 A1378 I1382 V1398V1320-F1341 HydrophobicContact CG1-CE1 4.31Å; I1322-F1341 HydrophobicContact CB-CZ 4.46Å; I1322-F1341 HydrophobicContact CD1-CD1 4.31Å; I1322-F1341 HydrophobicContact CD1-CD2 4.3Å; I1322-F1341 HydrophobicContact CD1-CE1 3.63Å; I1322-F1341 HydrophobicContact CD1-CE2 3.63Å; I1322-F1341 HydrophobicContact CD1-CZ 3.25Å; I1322-F1341 HydrophobicContact CG1-CE1 3.88Å; I1322-F1341 HydrophobicContact CG1-CE2 4.32Å; I1322-F1341 HydrophobicContact CG1-CZ 3.53Å; I1322-F1341 HydrophobicContact CG2-CE2 4.49Å; I1322-F1341 HydrophobicContact CG2-CZ 4.07Å; L1337-F1341 VanDerWaalsContact O-CD2 3.27Å; L1337-F1341 WeakPolarHBondContact O-CD2 3.26Å; L1337-F1341 PolarHBondContact O-N 3.11Å; K1338-F1341 CarbonylContact O-C 3.52Å; K1338-F1341 PolarHBondContact O-N 2.93Å; F1341-P1343 VanDerWaalsContact C-CD 3.45Å; F1341-Y1344 PolarHBondContact O-N 2.84Å; F1341-I1347 HydrophobicContact CB-CD1 3.69Å; F1341-V1367 HydrophobicContact CB-CG1 4.05Å; F1341-V1367 HydrophobicContact CB-CG2 4.3Å; F1341-V1367 HydrophobicContact CD1-CB 4.09Å; F1341-V1367 HydrophobicContact CD1-CG1 4.12Å; F1341-V1367 HydrophobicContact CD1-CG2 4.16Å; F1341-V1367 HydrophobicContact CD2-CG2 4.34Å; F1341-V1367 HydrophobicContact CG-CB 4.37Å; F1341-V1367 HydrophobicContact CG-CG1 4.28Å; F1341-V1367 HydrophobicContact CG-CG2 4Å; F1341-F1369 HydrophobicContact CB-CZ 4.03Å; F1341-F1369 HydrophobicContact CD1-CE2 4.14Å; F1341-F1369 AromaticContact CD1-CZ 3.97Å; F1341-F1369 HydrophobicContact CD1-CZ 3.97Å; F1341-A1378 HydrophobicContact CD1-CB 4.3Å; F1341-I1382 HydrophobicContact CD1-CD1 3.76Å; F1341-I1382 HydrophobicContact CD2-CD1 4.03Å; F1341-I1382 HydrophobicContact CE1-CD1 3.33Å; F1341-I1382 HydrophobicContact CE2-CD1 3.63Å; F1341-I1382 HydrophobicContact CG-CD1 4.08Å; F1341-I1382 HydrophobicContact CZ-CD1 3.24Å; F1341-V1398 HydrophobicContact CE1-CG1 3.95Å; F1341-V1398 HydrophobicContact CE1-CG2 4.48Å; F1341-V1398 HydrophobicContact CZ-CG1 4.33Å; F1341-V1398 HydrophobicContact CZ-CG2 4.1Å
1342Q92.5Very high90.5Very high125 Ų12556.8 Ų56.858%0.58432%0.316SS*.G310 helixtrans-58.4-36.5-179176.8175.8-1100114.9K1338 Y1344 G1345 I1347K1338-Q1342 VanDerWaalsContact O-CB 3.23Å; K1338-Q1342 WeakPolarHBondContact O-CB 3.12Å; K1338-Q1342 PolarHBondContact O-N 3.35Å; Q1342-Y1344 PolarHBondContact O-N 3.47Å; Q1342-G1345 PolarHBondContact O-N 3.11Å; Q1342-I1347 HydrophobicContact CB-CD1 4.44Å
1343P92.5Very high91Very high106 Ų10656 Ų5669%0.68830%0.304SS*.G310 helixtrans-60.2-26.4176.3-26.636.2000114.1Q1339 F1341Q1339-P1343 WeakPolarHBondContact O-CD 3.42Å; F1341-P1343 VanDerWaalsContact C-CD 3.45Å
1344Y92.9Very high91.1Very high45 Ų4557.1 Ų57.118%0.17631%0.312CS..G310 helixtrans-82-23.7-179.2-54.6-74.9000112.6I1340 F1341 Q1342 R1377 A1378 I1382I1340-Y1344 WeakPolarHBondContact O-CE2 3.3Å; F1341-Y1344 PolarHBondContact O-N 2.84Å; Q1342-Y1344 PolarHBondContact O-N 3.47Å; Y1344-R1377 PolarHBondContact O-NH2 3.02Å; Y1344-A1378 HydrophobicContact CD2-CB 4.07Å; Y1344-A1378 HydrophobicContact CG-CB 3.87Å; Y1344-I1382 HydrophobicContact CD2-CD1 4.21Å; Y1344-I1382 HydrophobicContact CD2-CG1 4.21Å; Y1344-I1382 HydrophobicContact CE1-CG1 4.5Å; Y1344-I1382 HydrophobicContact CE2-CD1 3.7Å; Y1344-I1382 HydrophobicContact CE2-CG1 3.37Å; Y1344-I1382 WeakPolarHBondContact OH-CG1 3.19Å
1345G92.1Very high90.5Very high10 Ų1061.5 Ų61.510%0.10333%0.329CS..SBendtrans161.6174.7170.800000114.5Q1342 I1347 F1369Q1342-G1345 PolarHBondContact O-N 3.11Å; G1345-I1347 PolarHBondContact O-N 3.11Å; G1345-F1369 WeakPolarHBondContact O-CE1 3.28Å
1346P94Very high89.7Confident67 Ų6766.5 Ų66.544%0.43534%0.343SS..  trans-57.8119.9177.522.6-35.4000113.1F1369 V1370 D1374P1346-F1369 WeakPolarHBondContact O-CA 3.33Å; P1346-V1370 HydrophobicContact CB-CB 4.33Å; P1346-V1370 HydrophobicContact CB-CG2 4.04Å; P1346-V1370 HydrophobicContact CG-CB 4.2Å; P1346-V1370 HydrophobicContact CG-CG2 4.45Å; P1346-V1370 PolarHBondContact O-N 3.28Å; P1346-D1374 WeakPolarHBondContact CD-OD2 3.41Å
1347I94.2Very high88.8Confident38 Ų3867.8 Ų67.820%0.19536%0.356CS..EExtended strand (participates in β ladder)trans-85.2131175.4-61.2173.3000109.7K1338 F1341 Q1342 G1345 A1350 V1367 F1369K1338-I1347 HydrophobicContact CB-CD1 4.04Å; K1338-I1347 HydrophobicContact CD-CG2 4.48Å; K1338-I1347 HydrophobicContact CG-CD1 3.93Å; K1338-I1347 HydrophobicContact CG-CG2 4.26Å; K1338-I1347 WeakPolarHBondContact O-CD1 3.42Å; F1341-I1347 HydrophobicContact CB-CD1 3.69Å; Q1342-I1347 HydrophobicContact CB-CD1 4.44Å; G1345-I1347 PolarHBondContact O-N 3.11Å; I1347-A1350 HydrophobicContact CG2-CB 4.35Å; I1347-V1367 HydrophobicContact CD1-CG1 3.96Å; I1347-V1367 HydrophobicContact CG1-CG1 3.88Å; I1347-V1367 HydrophobicContact CG2-CG1 3.95Å; I1347-F1369 HydrophobicContact CG1-CD1 4.27Å; I1347-F1369 HydrophobicContact CG1-CE1 3.97Å; I1347-F1369 HydrophobicContact CG1-CZ 4.48Å
1348A93.1Very high87.8Confident56 Ų5672.4 Ų72.446%0.46338%0.381SS..EExtended strand (participates in β ladder)trans-86.5-44.3172.200000112.1R1368 V1370A1348-R1368 WeakPolarHBondContact CA-O 3.35Å; A1348-R1368 WeakPolarHBondContact CB-O 3.25Å; A1348-R1368 PolarHBondContact N-O 2.81Å; A1348-V1370 HydrophobicContact CB-CG2 4.02Å
1349T92.4Very high86.6Confident77 Ų7775.2 Ų75.247%0.47240%0.399SS..EExtended strand (participates in β ladder)trans-151.2144.617756.90000111.3R1368T1349-R1368 PolarHBondContact N-O 2.92Å; T1349-R1368 PolarHBondContact O-N 3.08Å; T1349-R1368 WeakPolarHBondContact OG1-CB 3.42Å
1350A92.9Very high85.5Confident14 Ų1474.4 Ų74.412%0.11639%0.393CS..EExtended strand (participates in β ladder)trans-130.6141.6173.200000110.2V1334 L1337 K1338 I1347 F1366 V1367V1334-A1350 HydrophobicContact CG1-CB 3.99Å; V1334-A1350 VanDerWaalsContact CG1-O 3.28Å; V1334-A1350 WeakPolarHBondContact CG1-O 3.33Å; L1337-A1350 HydrophobicContact CD2-CB 4.33Å; K1338-A1350 HydrophobicContact CD-CB 4.07Å; K1338-A1350 HydrophobicContact CG-CB 3.42Å; K1338-A1350 VanDerWaalsContact CG-CB 3.42Å; I1347-A1350 HydrophobicContact CG2-CB 4.35Å; A1350-F1366 CarbonylContact C-O 3.56Å; A1350-F1366 WeakPolarHBondContact CA-O 3.5Å; A1350-V1367 HydrophobicContact CB-CG2 4.11Å
1351I91.3Very high84.7Confident99 Ų9973 Ų7351%0.50839%0.387SS..EExtended strand (participates in β ladder)trans-146.7125.9-176.8-55.2179.7000109.8G1365 F1366I1351-G1365 CarbonylContact O-C 3.57Å; I1351-G1365 VanDerWaalsContact O-CA 3.25Å; I1351-G1365 WeakPolarHBondContact O-CA 3.49Å; I1351-F1366 PolarHBondContact N-O 3.09Å; I1351-F1366 PolarHBondContact O-N 3.43Å
1352V90.6Very high84Confident7 Ų776.3 Ų76.34%0.04241%0.407CS..EExtended strand (participates in β ladder)trans-86.4129.9166.2176.20000108.8V1334 L1337 T1354V1334-V1352 HydrophobicContact CG2-CB 4.24Å; V1334-V1352 HydrophobicContact CG2-CG2 3.93Å; L1337-V1352 HydrophobicContact CD2-CG2 4.17Å; V1352-T1354 PolarHBondContact O-N 2.96Å
1353M88.8Confident83.7Confident67 Ų6770.8 Ų70.833%0.3338%0.384SS..EExtended strand (participates in β ladder)trans-80.9110.4-179.2-67.5-179.56900111Y1321 T1362 A1364 F1366Y1321-M1353 HydrophobicContact CE2-SD 3.98Å; M1353-T1362 VanDerWaalsContact CB-OG1 3.26Å; M1353-T1362 WeakPolarHBondContact CB-OG1 3.36Å; M1353-T1362 PolarHBondContact O-N 3.32Å; M1353-T1362 PolarHBondContact O-OG1 3.27Å; M1353-T1362 VanDerWaalsContact O-OG1 3.11Å; M1353-A1364 WeakPolarHBondContact CB-O 3.36Å; M1353-A1364 PolarHBondContact N-O 2.68Å; M1353-A1364 HydrophobicContact SD-CB 4.12Å; M1353-F1366 HydrophobicContact CE-CE2 4.25Å; M1353-F1366 HydrophobicContact CG-CD2 4.04Å; M1353-F1366 HydrophobicContact CG-CE2 3.99Å; M1353-F1366 HydrophobicContact SD-CD2 3.99Å; M1353-F1366 HydrophobicContact SD-CE2 3.39Å; M1353-F1366 WeakPolarHBondContact SD-CE2 3.17Å; M1353-F1366 HydrophobicContact SD-CZ 4.1Å
1354T85.2Confident83.6Confident57 Ų5765.9 Ų65.935%0.3535%0.352SS..EExtended strand (participates in β ladder)trans-100146.1171.655.50000111.7V1352 R1356 N1359 F1360V1352-T1354 PolarHBondContact O-N 2.96Å; T1354-R1356 PolarHBondContact O-N 3.3Å; T1354-N1359 WeakPolarHBondContact CB-O 3.34Å; T1354-N1359 VanDerWaalsContact CG2-O 3.31Å; T1354-N1359 WeakPolarHBondContact CG2-O 3.34Å; T1354-F1360 CarbonylContact C-O 3.53Å; T1354-F1360 WeakPolarHBondContact CA-O 3.17Å
1355K75.3Confident83.6Confident120 Ų12063.7 Ų63.752%0.52234%0.344SS..  trans-81.6110.7-179.7-169.4-178.4-179.5-179.50110.2S1357 N1358 N1359 F1360 T1362K1355-S1357 WeakPolarHBondContact CE-OG 3.33Å; K1355-S1357 PolarHBondContact O-N 3.04Å; K1355-N1358 PolarHBondContact O-N 3.4Å; K1355-N1359 PolarHBondContact O-N 2.96Å; K1355-F1360 PolarHBondContact N-O 3.31Å; K1355-T1362 HydrophobicContact CB-CG2 3.94Å
1356R71Confident83.7Confident216 Ų21665.6 Ų65.682%0.81535%0.349SS*.THydrogen-bonded Turntrans-53-16.8-175-167.7168.7-177.6171.3-1.3116.4T1354T1354-R1356 PolarHBondContact O-N 3.3Å
1357S71.1Confident83.8Confident84 Ų8462.4 Ų62.459%0.58733%0.329SS*.THydrogen-bonded Turntrans-84-23175.660.70000114.8K1355K1355-S1357 WeakPolarHBondContact CE-OG 3.33Å; K1355-S1357 PolarHBondContact O-N 3.04Å
1358N67.9Low83.8Confident98 Ų9865.6 Ų65.652%0.52434%0.338SS..THydrogen-bonded Turntrans-141.2-3.1-172.1-57.871000114K1355 F1360K1355-N1358 PolarHBondContact O-N 3.4Å; N1358-F1360 HydrophobicContact CB-CD2 3.88Å; N1358-F1360 VanDerWaalsContact O-CD2 3.32Å; N1358-F1360 WeakPolarHBondContact O-CD2 2.99Å; N1358-F1360 PolarHBondContact O-N 2.84Å
1359N67.8Low83.9Confident115 Ų11563 Ų6362%0.61532%0.316SS*.  trans59.2-10.1-173.4-63.8-17.5000117.5T1354 K1355T1354-N1359 WeakPolarHBondContact CB-O 3.34Å; T1354-N1359 VanDerWaalsContact CG2-O 3.31Å; T1354-N1359 WeakPolarHBondContact CG2-O 3.34Å; K1355-N1359 PolarHBondContact O-N 2.96Å
1360F67.2Low84Confident124 Ų12463 Ų6354%0.54432%0.316SS..  trans-55.3150.3168.2-75.8-91.3000112.4T1354 K1355 N1358T1354-F1360 CarbonylContact C-O 3.53Å; T1354-F1360 WeakPolarHBondContact CA-O 3.17Å; K1355-F1360 PolarHBondContact N-O 3.31Å; N1358-F1360 HydrophobicContact CB-CD2 3.88Å; N1358-F1360 VanDerWaalsContact O-CD2 3.32Å; N1358-F1360 WeakPolarHBondContact O-CD2 2.99Å; N1358-F1360 PolarHBondContact O-N 2.84Å
1361C73.9Confident84Confident9 Ų968 Ų686%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-56.8149172.2-154.80000111.7W1329 G1363W1329-C1361 WeakPolarHBondContact O-CB 3.08Å; C1361-G1363 VanDerWaalsContact C-N 3.27Å; C1361-G1363 PolarHBondContact SG-N 2.76Å
1362T78.5Confident84.1Confident68 Ų6865.3 Ų65.342%0.41732%0.322SS..EExtended strand (participates in β ladder)trans-87.73163.761.20000112.7M1353 K1355 A1364M1353-T1362 VanDerWaalsContact CB-OG1 3.26Å; M1353-T1362 WeakPolarHBondContact CB-OG1 3.36Å; M1353-T1362 PolarHBondContact O-N 3.32Å; M1353-T1362 PolarHBondContact O-OG1 3.27Å; M1353-T1362 VanDerWaalsContact O-OG1 3.11Å; K1355-T1362 HydrophobicContact CB-CG2 3.94Å; T1362-A1364 VanDerWaalsContact C-N 3.3Å
1363G85.4Confident84.3Confident10 Ų1070 Ų7010%0.10334%0.343CS..EExtended strand (participates in β ladder)trans71.922.7-172.700000113.9N1324 I1325 C1361N1324-G1363 PolarHBondContact N-O 2.86Å; N1324-G1363 VanDerWaalsContact N-O 3.09Å; I1325-G1363 PolarHBondContact N-O 2.96Å; I1325-G1363 VanDerWaalsContact N-O 3.11Å; I1325-G1363 WeakPolarHBondContact O-CA 3.31Å; C1361-G1363 VanDerWaalsContact C-N 3.27Å; C1361-G1363 PolarHBondContact SG-N 2.76Å
1364A90.9Very high84.6Confident2 Ų266.8 Ų66.82%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-142.9162.9-175.400000112.3Y1321 I1322 T1323 I1325 M1353 T1362Y1321-A1364 HydrophobicContact CE2-CB 3.82Å; Y1321-A1364 WeakPolarHBondContact OH-CB 3.23Å; I1322-A1364 CarbonylContact O-C 3.48Å; I1322-A1364 WeakPolarHBondContact O-CA 3.35Å; I1322-A1364 WeakPolarHBondContact O-CB 3.45Å; T1323-A1364 HydrophobicContact CG2-CB 4.24Å; I1325-A1364 VanDerWaalsContact CD1-C 3.49Å; M1353-A1364 WeakPolarHBondContact CB-O 3.36Å; M1353-A1364 PolarHBondContact N-O 2.68Å; M1353-A1364 HydrophobicContact SD-CB 4.12Å; T1362-A1364 VanDerWaalsContact C-N 3.3Å
1365G92.3Very high85Confident0 Ų064.1 Ų64.10%031%0.311CS..EExtended strand (participates in β ladder)trans-161.7174.6-176.700000113.2Y1321 I1322 I1351Y1321-G1365 WeakPolarHBondContact CD2-O 3.38Å; I1322-G1365 PolarHBondContact N-O 3.37Å; I1322-G1365 PolarHBondContact O-N 3.22Å; I1351-G1365 CarbonylContact O-C 3.57Å; I1351-G1365 VanDerWaalsContact O-CA 3.25Å; I1351-G1365 WeakPolarHBondContact O-CA 3.49Å
1366F94.3Very high85.9Confident50 Ų5062.2 Ų62.222%0.21930%0.304CS..EExtended strand (participates in β ladder)trans-130.7136.5175.7-68.1-76.2000111.1V1320 Y1321 A1350 I1351 M1353 A1401V1320-F1366 CarbonylContact O-C 3.59Å; V1320-F1366 VanDerWaalsContact O-CA 3.26Å; V1320-F1366 WeakPolarHBondContact O-CA 3.48Å; Y1321-F1366 HydrophobicContact CD2-CD1 4.01Å; Y1321-F1366 AromaticContact CD2-CE1 3.47Å; Y1321-F1366 HydrophobicContact CD2-CE1 3.47Å; Y1321-F1366 VanDerWaalsContact CD2-CE1 3.47Å; Y1321-F1366 HydrophobicContact CD2-CE2 4.39Å; Y1321-F1366 AromaticContact CD2-CZ 3.69Å; Y1321-F1366 HydrophobicContact CD2-CZ 3.69Å; Y1321-F1366 HydrophobicContact CE2-CE1 4.42Å; Y1321-F1366 HydrophobicContact CE2-CZ 4.21Å; Y1321-F1366 HydrophobicContact CG-CE1 4.09Å; A1350-F1366 CarbonylContact C-O 3.56Å; A1350-F1366 WeakPolarHBondContact CA-O 3.5Å; I1351-F1366 PolarHBondContact N-O 3.09Å; I1351-F1366 PolarHBondContact O-N 3.43Å; M1353-F1366 HydrophobicContact CE-CE2 4.25Å; M1353-F1366 HydrophobicContact CG-CD2 4.04Å; M1353-F1366 HydrophobicContact CG-CE2 3.99Å; M1353-F1366 HydrophobicContact SD-CD2 3.99Å; M1353-F1366 HydrophobicContact SD-CE2 3.39Å; M1353-F1366 WeakPolarHBondContact SD-CE2 3.17Å; M1353-F1366 HydrophobicContact SD-CZ 4.1Å; F1366-A1401 HydrophobicContact CD1-CB 3.88Å; F1366-A1401 HydrophobicContact CE1-CB 3.72Å
1367V94.7Very high87Confident0 Ų057.8 Ų57.80%029%0.287CS..EExtended strand (participates in β ladder)trans-126.2120.9167.1170.40000108.3N1319 V1320 I1322 L1337 F1341 I1347 A1350 F1369N1319-V1367 PolarHBondContact OD1-O 2.81Å; V1320-V1367 WeakPolarHBondContact CA-O 3.21Å; V1320-V1367 VanDerWaalsContact CB-O 3.29Å; V1320-V1367 WeakPolarHBondContact CB-O 3.32Å; V1320-V1367 PolarHBondContact N-O 2.92Å; V1320-V1367 PolarHBondContact O-N 3.03Å; I1322-V1367 HydrophobicContact CD1-CB 4.05Å; I1322-V1367 HydrophobicContact CD1-CG2 3.56Å; L1337-V1367 HydrophobicContact CD2-CG2 3.8Å; L1337-V1367 HydrophobicContact CG-CG2 4.08Å; F1341-V1367 HydrophobicContact CB-CG1 4.05Å; F1341-V1367 HydrophobicContact CB-CG2 4.3Å; F1341-V1367 HydrophobicContact CD1-CB 4.09Å; F1341-V1367 HydrophobicContact CD1-CG1 4.12Å; F1341-V1367 HydrophobicContact CD1-CG2 4.16Å; F1341-V1367 HydrophobicContact CD2-CG2 4.34Å; F1341-V1367 HydrophobicContact CG-CB 4.37Å; F1341-V1367 HydrophobicContact CG-CG1 4.28Å; F1341-V1367 HydrophobicContact CG-CG2 4Å; I1347-V1367 HydrophobicContact CD1-CG1 3.96Å; I1347-V1367 HydrophobicContact CG1-CG1 3.88Å; I1347-V1367 HydrophobicContact CG2-CG1 3.95Å; A1350-V1367 HydrophobicContact CB-CG2 4.11Å; V1367-F1369 HydrophobicContact CB-CE2 4.47Å; V1367-F1369 HydrophobicContact CG1-CD2 4.05Å; V1367-F1369 HydrophobicContact CG1-CE2 3.62Å; V1367-F1369 HydrophobicContact CG1-CZ 3.92Å
1368R94.8Very high88.1Confident105 Ų10553.8 Ų53.840%0.39626%0.259SS..EExtended strand (participates in β ladder)trans-101.1122.5172.4-171.6-179.6175.7-177.80.8109.6Q1318 N1319 A1348 T1349Q1318-R1368 HydrophobicContact CB-CG 4.18Å; Q1318-R1368 CarbonylContact O-C 3.56Å; Q1318-R1368 WeakPolarHBondContact O-CA 3.08Å; N1319-R1368 HydrophobicContact CB-CB 4.35Å; N1319-R1368 HydrophobicContact CB-CG 4.2Å; A1348-R1368 WeakPolarHBondContact CA-O 3.35Å; A1348-R1368 WeakPolarHBondContact CB-O 3.25Å; A1348-R1368 PolarHBondContact N-O 2.81Å; T1349-R1368 PolarHBondContact N-O 2.92Å; T1349-R1368 PolarHBondContact O-N 3.08Å; T1349-R1368 WeakPolarHBondContact OG1-CB 3.42Å
1369F95.8Very high89.3Confident0 Ų049.4 Ų49.40%024%0.236CC..EExtended strand (participates in β ladder)trans-85.2159.7173.4-70.6-90.3000111.6Q1318 V1320 F1341 G1345 P1346 I1347 V1367 R1371 D1374 A1375 A1378Q1318-F1369 PolarHBondContact O-N 2.87Å; V1320-F1369 HydrophobicContact CG2-CD2 3.92Å; V1320-F1369 HydrophobicContact CG2-CE2 3.92Å; F1341-F1369 HydrophobicContact CB-CZ 4.03Å; F1341-F1369 HydrophobicContact CD1-CE2 4.14Å; F1341-F1369 AromaticContact CD1-CZ 3.97Å; F1341-F1369 HydrophobicContact CD1-CZ 3.97Å; G1345-F1369 WeakPolarHBondContact O-CE1 3.28Å; P1346-F1369 WeakPolarHBondContact O-CA 3.33Å; I1347-F1369 HydrophobicContact CG1-CD1 4.27Å; I1347-F1369 HydrophobicContact CG1-CE1 3.97Å; I1347-F1369 HydrophobicContact CG1-CZ 4.48Å; V1367-F1369 HydrophobicContact CB-CE2 4.47Å; V1367-F1369 HydrophobicContact CG1-CD2 4.05Å; V1367-F1369 HydrophobicContact CG1-CE2 3.62Å; V1367-F1369 HydrophobicContact CG1-CZ 3.92Å; F1369-R1371 VanDerWaalsContact C-N 3.3Å; F1369-R1371 WeakPolarHBondContact CB-O 3.47Å; F1369-D1374 HydrophobicContact CB-CB 4.09Å; F1369-D1374 HydrophobicContact CD1-CB 3.79Å; F1369-D1374 HydrophobicContact CG-CB 4.09Å; F1369-A1375 HydrophobicContact CB-CB 4.25Å; F1369-A1375 VanDerWaalsContact CD2-CA 3.5Å; F1369-A1375 HydrophobicContact CD2-CB 3.79Å; F1369-A1375 HydrophobicContact CG-CB 4.3Å; F1369-A1378 HydrophobicContact CE1-CB 4.38Å; F1369-A1378 HydrophobicContact CE2-CB 3.59Å; F1369-A1378 HydrophobicContact CZ-CB 3.43Å; F1369-A1378 VanDerWaalsContact CZ-CB 3.43Å
1370V93.5Very high90.4Very high78 Ų7846.6 Ų46.647%0.47322%0.221SC..SBendtrans-70.3-29.2173.4176.60000111.4Q1318 P1346 A1348Q1318-V1370 PolarHBondContact NE2-O 2.96Å; P1346-V1370 HydrophobicContact CB-CB 4.33Å; P1346-V1370 HydrophobicContact CB-CG2 4.04Å; P1346-V1370 HydrophobicContact CG-CB 4.2Å; P1346-V1370 HydrophobicContact CG-CG2 4.45Å; P1346-V1370 PolarHBondContact O-N 3.28Å; A1348-V1370 HydrophobicContact CB-CG2 4.02Å
1371R93.3Very high91.6Very high119 Ų11941.7 Ų41.745%0.44921%0.206SC..SBendtrans-125.6150.8-179.1-60.2-176.4-65.7-174.32.5111.8F1369 D1374 A1375F1369-R1371 VanDerWaalsContact C-N 3.3Å; F1369-R1371 WeakPolarHBondContact CB-O 3.47Å; R1371-D1374 HydrophobicContact CB-CB 4.39Å; R1371-D1374 IonicContact CZ-OD1 2.89Å; R1371-D1374 IonicContact CZ-OD2 3.36Å; R1371-D1374 VanDerWaalsContact CZ-OD2 3.3Å; R1371-D1374 IonicContact NE-OD1 2.74Å; R1371-D1374 PolarHBondContact NE-OD1 3.23Å; R1371-D1374 IonicContact NE-OD2 3.34Å; R1371-D1374 PolarHBondContact NE-OD2 2.87Å; R1371-D1374 VanDerWaalsContact NH2-CG 3.29Å; R1371-D1374 IonicContact NH2-OD1 3.93Å; R1371-D1374 PolarHBondContact NH2-OD1 3.02Å; R1371-D1374 IonicContact NH2-OD2 2.8Å; R1371-D1374 PolarHBondContact NH2-OD2 2.85Å; R1371-D1374 PolarHBondContact O-N 3.43Å; R1371-A1375 PolarHBondContact O-N 3.38Å
1372S93.5Very high92.3Very high42 Ų4241.3 Ų41.329%0.29420%0.203SC..Hα-helixtrans-69.4-33.3178.125.50000113.3P1317 D1374 A1375 Q1376P1317-S1372 VanDerWaalsContact O-CA 3.26Å; P1317-S1372 WeakPolarHBondContact O-CA 3.45Å; P1317-S1372 WeakPolarHBondContact O-CB 3.42Å; S1372-D1374 VanDerWaalsContact C-N 3.26Å; S1372-D1374 PolarHBondContact O-N 3.49Å; S1372-A1375 PolarHBondContact O-N 2.91Å; S1372-Q1376 PolarHBondContact O-N 2.8Å; S1372-Q1376 VanDerWaalsContact O-N 3.1Å
1373E95Very high92.8Very high106 Ų10644.2 Ų44.250%0.49521%0.206SC..Hα-helixtrans-71-29.2-178.6-55.365.7-119.400110.4R1377E1373-R1377 WeakPolarHBondContact O-CG 3.22Å; E1373-R1377 PolarHBondContact O-N 3.38Å; E1373-R1377 PolarHBondContact O-NH1 2.93Å; E1373-R1377 VanDerWaalsContact O-NH1 3.15Å
1374D94.5Very high92.7Very high0 Ų050.1 Ų50.10%024%0.236CC..Hα-helixtrans-74.6-41.9177.2-60.4-14.8000111.1P1346 F1369 R1371 S1372 Q1376 R1377 A1378P1346-D1374 WeakPolarHBondContact CD-OD2 3.41Å; F1369-D1374 HydrophobicContact CB-CB 4.09Å; F1369-D1374 HydrophobicContact CD1-CB 3.79Å; F1369-D1374 HydrophobicContact CG-CB 4.09Å; R1371-D1374 HydrophobicContact CB-CB 4.39Å; R1371-D1374 IonicContact CZ-OD1 2.89Å; R1371-D1374 IonicContact CZ-OD2 3.36Å; R1371-D1374 VanDerWaalsContact CZ-OD2 3.3Å; R1371-D1374 IonicContact NE-OD1 2.74Å; R1371-D1374 PolarHBondContact NE-OD1 3.23Å; R1371-D1374 IonicContact NE-OD2 3.34Å; R1371-D1374 PolarHBondContact NE-OD2 2.87Å; R1371-D1374 VanDerWaalsContact NH2-CG 3.29Å; R1371-D1374 IonicContact NH2-OD1 3.93Å; R1371-D1374 PolarHBondContact NH2-OD1 3.02Å; R1371-D1374 IonicContact NH2-OD2 2.8Å; R1371-D1374 PolarHBondContact NH2-OD2 2.85Å; R1371-D1374 PolarHBondContact O-N 3.43Å; S1372-D1374 VanDerWaalsContact C-N 3.26Å; S1372-D1374 PolarHBondContact O-N 3.49Å; D1374-Q1376 VanDerWaalsContact C-N 3.34Å; D1374-Q1376 PolarHBondContact O-N 3.22Å; D1374-R1377 PolarHBondContact O-N 2.75Å; D1374-R1377 IonicContact OD1-CZ 3.97Å; D1374-R1377 IonicContact OD1-NH1 2.84Å; D1374-R1377 PolarHBondContact OD1-NH1 3.4Å; D1374-R1377 IonicContact OD1-NH2 2.66Å; D1374-R1377 PolarHBondContact OD1-NH2 3.39Å; D1374-A1378 WeakPolarHBondContact O-CB 3.36Å; D1374-A1378 PolarHBondContact O-N 3.35Å
1375A94.4Very high92.4Very high0 Ų052.9 Ų52.90%026%0.258CS..Hα-helixtrans-59.1-43.8172.700000112P1317 V1320 F1369 R1371 S1372 A1378 I1379P1317-A1375 WeakPolarHBondContact O-CB 3.26Å; V1320-A1375 HydrophobicContact CG2-CB 3.62Å; F1369-A1375 HydrophobicContact CB-CB 4.25Å; F1369-A1375 VanDerWaalsContact CD2-CA 3.5Å; F1369-A1375 HydrophobicContact CD2-CB 3.79Å; F1369-A1375 HydrophobicContact CG-CB 4.3Å; R1371-A1375 PolarHBondContact O-N 3.38Å; S1372-A1375 PolarHBondContact O-N 2.91Å; A1375-A1378 PolarHBondContact O-N 3.31Å; A1375-I1379 WeakPolarHBondContact O-CD1 3.46Å; A1375-I1379 WeakPolarHBondContact O-CG1 3.27Å; A1375-I1379 PolarHBondContact O-N 3.22Å
1376Q93.9Very high91.8Very high81 Ų8159 Ų5938%0.37929%0.287SS..Hα-helixtrans-66.5-43.9176.7-168.462.13900111.9S1372 D1374 A1378 I1379 D1380S1372-Q1376 PolarHBondContact O-N 2.8Å; S1372-Q1376 VanDerWaalsContact O-N 3.1Å; D1374-Q1376 VanDerWaalsContact C-N 3.34Å; D1374-Q1376 PolarHBondContact O-N 3.22Å; Q1376-A1378 VanDerWaalsContact C-N 3.27Å; Q1376-A1378 PolarHBondContact O-N 3.32Å; Q1376-I1379 PolarHBondContact O-N 3.31Å; Q1376-D1380 PolarHBondContact NE2-OD2 3.29Å; Q1376-D1380 PolarHBondContact O-N 2.62Å
1377R93.9Very high91.1Very high122 Ų12259 Ų5946%0.4629%0.289SS..Hα-helixtrans-62.3-31.7174-72.6-165.1-39.7-77.11.6113Y1344 E1373 D1374 G1381Y1344-R1377 PolarHBondContact O-NH2 3.02Å; E1373-R1377 WeakPolarHBondContact O-CG 3.22Å; E1373-R1377 PolarHBondContact O-N 3.38Å; E1373-R1377 PolarHBondContact O-NH1 2.93Å; E1373-R1377 VanDerWaalsContact O-NH1 3.15Å; D1374-R1377 PolarHBondContact O-N 2.75Å; D1374-R1377 IonicContact OD1-CZ 3.97Å; D1374-R1377 IonicContact OD1-NH1 2.84Å; D1374-R1377 PolarHBondContact OD1-NH1 3.4Å; D1374-R1377 IonicContact OD1-NH2 2.66Å; D1374-R1377 PolarHBondContact OD1-NH2 3.39Å; R1377-G1381 VanDerWaalsContact O-CA 3.31Å; R1377-G1381 WeakPolarHBondContact O-CA 3.35Å; R1377-G1381 PolarHBondContact O-N 2.8Å
1378A93.8Very high90.4Very high0 Ų063.5 Ų63.50%032%0.316CS..Hα-helixtrans-69.7-42.5173.900000112.3F1341 Y1344 F1369 D1374 A1375 Q1376 I1382F1341-A1378 HydrophobicContact CD1-CB 4.3Å; Y1344-A1378 HydrophobicContact CD2-CB 4.07Å; Y1344-A1378 HydrophobicContact CG-CB 3.87Å; F1369-A1378 HydrophobicContact CE1-CB 4.38Å; F1369-A1378 HydrophobicContact CE2-CB 3.59Å; F1369-A1378 HydrophobicContact CZ-CB 3.43Å; F1369-A1378 VanDerWaalsContact CZ-CB 3.43Å; D1374-A1378 WeakPolarHBondContact O-CB 3.36Å; D1374-A1378 PolarHBondContact O-N 3.35Å; A1375-A1378 PolarHBondContact O-N 3.31Å; Q1376-A1378 VanDerWaalsContact C-N 3.27Å; Q1376-A1378 PolarHBondContact O-N 3.32Å; A1378-I1382 WeakPolarHBondContact O-CB 3.39Å; A1378-I1382 WeakPolarHBondContact O-CG1 3.38Å; A1378-I1382 PolarHBondContact O-N 2.86Å
1379I93.1Very high89.8Confident6 Ų660 Ų603%0.03131%0.305CS..Hα-helixtrans-59.6-50.5176.8-75.7162.9000111.2V1320 A1375 Q1376 R1383 V1398 L1400V1320-I1379 HydrophobicContact CG1-CD1 4.42Å; V1320-I1379 HydrophobicContact CG1-CG1 3.93Å; V1320-I1379 HydrophobicContact CG2-CD1 4.22Å; V1320-I1379 HydrophobicContact CG2-CG1 4.33Å; A1375-I1379 WeakPolarHBondContact O-CD1 3.46Å; A1375-I1379 WeakPolarHBondContact O-CG1 3.27Å; A1375-I1379 PolarHBondContact O-N 3.22Å; Q1376-I1379 PolarHBondContact O-N 3.31Å; I1379-R1383 VanDerWaalsContact O-CB 3.31Å; I1379-R1383 WeakPolarHBondContact O-CB 3.17Å; I1379-R1383 PolarHBondContact O-N 2.85Å; I1379-V1398 HydrophobicContact CB-CG1 4.43Å; I1379-V1398 HydrophobicContact CG1-CG1 3.82Å; I1379-L1400 HydrophobicContact CD1-CB 4.33Å; I1379-L1400 HydrophobicContact CD1-CD2 3.42Å; I1379-L1400 VanDerWaalsContact CD1-CD2 3.42Å; I1379-L1400 HydrophobicContact CD1-CG 3.56Å
1380D92.5Very high88.6Confident56 Ų5666.7 Ų66.730%0.29934%0.337SS..Hα-helixtrans-79.1-36.2-176.2-60.3-36.3000111.1Q1376 R1383 N1384Q1376-D1380 PolarHBondContact NE2-OD2 3.29Å; Q1376-D1380 PolarHBondContact O-N 2.62Å; D1380-R1383 PolarHBondContact O-N 2.87Å; D1380-R1383 IonicContact OD1-CZ 2.68Å; D1380-R1383 IonicContact OD1-NH1 3.3Å; D1380-R1383 PolarHBondContact OD1-NH1 2.93Å; D1380-R1383 IonicContact OD1-NH2 3.2Å; D1380-N1384 WeakPolarHBondContact O-CB 3.16Å; D1380-N1384 PolarHBondContact O-N 2.83Å; D1380-N1384 PolarHBondContact O-ND2 2.84Å; D1380-N1384 PolarHBondContact O-OD1 2.93Å
1381G90.6Very high87.6Confident22 Ų2267.2 Ų67.223%0.22734%0.337CS..Hα-helixtrans-63.2-44.917600000114R1377 N1384 A1385R1377-G1381 VanDerWaalsContact O-CA 3.31Å; R1377-G1381 WeakPolarHBondContact O-CA 3.35Å; R1377-G1381 PolarHBondContact O-N 2.8Å; G1381-N1384 PolarHBondContact O-N 2.84Å; G1381-A1385 VanDerWaalsContact O-CB 3.24Å; G1381-A1385 WeakPolarHBondContact O-CB 3.42Å; G1381-A1385 PolarHBondContact O-N 3.34Å
1382I89.9Confident86.4Confident0 Ų062.7 Ų62.70%033%0.327CS..Hα-helixtrans-75-34.6178.5-62.7173.7000111.2F1341 Y1344 A1378 N1384 A1385 Q1386 I1387 L1396 V1398F1341-I1382 HydrophobicContact CD1-CD1 3.76Å; F1341-I1382 HydrophobicContact CD2-CD1 4.03Å; F1341-I1382 HydrophobicContact CE1-CD1 3.33Å; F1341-I1382 HydrophobicContact CE2-CD1 3.63Å; F1341-I1382 HydrophobicContact CG-CD1 4.08Å; F1341-I1382 HydrophobicContact CZ-CD1 3.24Å; Y1344-I1382 HydrophobicContact CD2-CD1 4.21Å; Y1344-I1382 HydrophobicContact CD2-CG1 4.21Å; Y1344-I1382 HydrophobicContact CE1-CG1 4.5Å; Y1344-I1382 HydrophobicContact CE2-CD1 3.7Å; Y1344-I1382 HydrophobicContact CE2-CG1 3.37Å; Y1344-I1382 WeakPolarHBondContact OH-CG1 3.19Å; A1378-I1382 WeakPolarHBondContact O-CB 3.39Å; A1378-I1382 WeakPolarHBondContact O-CG1 3.38Å; A1378-I1382 PolarHBondContact O-N 2.86Å; I1382-N1384 VanDerWaalsContact C-N 3.28Å; I1382-N1384 PolarHBondContact O-N 3.02Å; I1382-A1385 PolarHBondContact O-N 2.96Å; I1382-Q1386 PolarHBondContact O-N 3.13Å; I1382-I1387 HydrophobicContact CG1-CD1 4.18Å; I1382-I1387 HydrophobicContact CG2-CB 4.39Å; I1382-I1387 HydrophobicContact CG2-CD1 4.29Å; I1382-I1387 HydrophobicContact CG2-CG1 4.35Å; I1382-L1396 HydrophobicContact CG2-CB 3.96Å; I1382-V1398 HydrophobicContact CB-CG2 3.84Å; I1382-V1398 HydrophobicContact CD1-CG2 4.2Å; I1382-V1398 HydrophobicContact CG2-CG2 3.55Å
1383R87.7Confident85.5Confident129 Ų12967.4 Ų67.449%0.48734%0.342SS..Hα-helixtrans-59.8-41.3172.4-171.8-176.5-56.4113.910.8111.5I1379 D1380 V1398I1379-R1383 VanDerWaalsContact O-CB 3.31Å; I1379-R1383 WeakPolarHBondContact O-CB 3.17Å; I1379-R1383 PolarHBondContact O-N 2.85Å; D1380-R1383 PolarHBondContact O-N 2.87Å; D1380-R1383 IonicContact OD1-CZ 2.68Å; D1380-R1383 IonicContact OD1-NH1 3.3Å; D1380-R1383 PolarHBondContact OD1-NH1 2.93Å; D1380-R1383 IonicContact OD1-NH2 3.2Å; R1383-V1398 PolarHBondContact NH2-O 3.16Å
1384N85.1Confident85Confident135 Ų13563.4 Ų63.472%0.72233%0.33SS*.Hα-helixtrans-77-34.3179.8-65.2-5.4000112.7D1380 G1381 I1382 Q1386D1380-N1384 WeakPolarHBondContact O-CB 3.16Å; D1380-N1384 PolarHBondContact O-N 2.83Å; D1380-N1384 PolarHBondContact O-ND2 2.84Å; D1380-N1384 PolarHBondContact O-OD1 2.93Å; G1381-N1384 PolarHBondContact O-N 2.84Å; I1382-N1384 VanDerWaalsContact C-N 3.28Å; I1382-N1384 PolarHBondContact O-N 3.02Å; N1384-Q1386 VanDerWaalsContact C-N 3.32Å
1385A82.9Confident84.5Confident60 Ų6065.8 Ų65.850%0.49635%0.345SS..Hα-helixtrans-78.9-13.1176.600000113.9G1381 I1382 I1387G1381-A1385 VanDerWaalsContact O-CB 3.24Å; G1381-A1385 WeakPolarHBondContact O-CB 3.42Å; G1381-A1385 PolarHBondContact O-N 3.34Å; I1382-A1385 PolarHBondContact O-N 2.96Å; A1385-I1387 HydrophobicContact CB-CD1 4.28Å; A1385-I1387 HydrophobicContact CB-CG1 3.81Å; A1385-I1387 PolarHBondContact O-N 3.43Å; A1385-I1387 VanDerWaalsContact O-N 3.14Å
1386Q80Confident84.3Confident129 Ų12966 Ų6660%0.60335%0.346SS*.THydrogen-bonded Turntrans49.639.3176.5-161.7174-36.900113.8I1382 N1384 T1388 P1395I1382-Q1386 PolarHBondContact O-N 3.13Å; N1384-Q1386 VanDerWaalsContact C-N 3.32Å; Q1386-T1388 PolarHBondContact O-N 3.36Å; Q1386-P1395 HydrophobicContact CG-CB 3.59Å; Q1386-P1395 HydrophobicContact CG-CG 4.01Å
1387I79.3Confident84Confident49 Ų4966.3 Ų66.325%0.25135%0.348SS..  trans-60.6110.8-170.3-54.6179.3000111I1340 I1382 A1385 L1396I1340-I1387 HydrophobicContact CG2-CD1 4.22Å; I1382-I1387 HydrophobicContact CG1-CD1 4.18Å; I1382-I1387 HydrophobicContact CG2-CB 4.39Å; I1382-I1387 HydrophobicContact CG2-CD1 4.29Å; I1382-I1387 HydrophobicContact CG2-CG1 4.35Å; A1385-I1387 HydrophobicContact CB-CD1 4.28Å; A1385-I1387 HydrophobicContact CB-CG1 3.81Å; A1385-I1387 PolarHBondContact O-N 3.43Å; A1385-I1387 VanDerWaalsContact O-N 3.14Å; I1387-L1396 HydrophobicContact CB-CD1 4.32Å; I1387-L1396 HydrophobicContact CG2-CD1 4.16Å; I1387-L1396 WeakPolarHBondContact O-CB 3.2Å; I1387-L1396 WeakPolarHBondContact O-CG 3.43Å; I1387-L1396 PolarHBondContact O-N 3.48Å
1388T81.8Confident83.9Confident95 Ų9560.6 Ų60.658%0.58333%0.326SS*.BIsolated β-bridgetrans-92.2124171.849.30000110.6Q1386 P1395Q1386-T1388 PolarHBondContact O-N 3.36Å; T1388-P1395 HydrophobicContact CG2-CB 4.04Å
1389L81.6Confident83.8Confident30 Ų3065.1 Ų65.116%0.15735%0.346CS..PPolyproline II helixtrans-81.9146.2169.1-77.5173.6000111.3P1326 W1329 I1340 N1391 G1392 L1396P1326-L1389 VanDerWaalsContact CD-CD1 3.48Å; P1326-L1389 HydrophobicContact CG-CB 3.71Å; P1326-L1389 HydrophobicContact CG-CD1 4.2Å; W1329-L1389 HydrophobicContact CE3-CD1 4.47Å; W1329-L1389 HydrophobicContact CH2-CD1 3.6Å; W1329-L1389 HydrophobicContact CH2-CD2 3.89Å; W1329-L1389 HydrophobicContact CH2-CG 4.42Å; W1329-L1389 HydrophobicContact CZ2-CD1 3.7Å; W1329-L1389 HydrophobicContact CZ2-CD2 3.65Å; W1329-L1389 HydrophobicContact CZ2-CG 4.29Å; W1329-L1389 HydrophobicContact CZ3-CD1 4Å; I1340-L1389 HydrophobicContact CD1-CD1 4.47Å; I1340-L1389 HydrophobicContact CD1-CD2 3.75Å; L1389-N1391 PolarHBondContact O-N 3.19Å; L1389-G1392 WeakPolarHBondContact O-CA 3.38Å; L1389-G1392 PolarHBondContact O-N 2.71Å; L1389-L1396 HydrophobicContact CD1-CD1 4.12Å; L1389-L1396 HydrophobicContact CD1-CD2 3.92Å; L1389-L1396 HydrophobicContact CD1-CG 4.26Å; L1389-L1396 HydrophobicContact CG-CD1 4.17Å; L1389-L1396 HydrophobicContact CG-CG 4.37Å
1390E69.4Low83.8Confident142 Ų14267 Ų6766%0.66436%0.356SS*.THydrogen-bonded Turntrans-60.3131.2171.1-67.6-174.7-16600110.9P1326 G1392P1326-E1390 WeakPolarHBondContact CG-O 3.32Å; E1390-G1392 PolarHBondContact O-N 3.4Å
1391N73.5Confident83.7Confident88 Ų8864.4 Ų64.447%0.47134%0.342SS..THydrogen-bonded Turntrans6312.8-170.7-48.2-80.9000114.6I588 P1326 L1389I588-N1391 WeakPolarHBondContact CD1-OD1 3.34Å; P1326-N1391 HydrophobicContact CB-CB 4.28Å; L1389-N1391 PolarHBondContact O-N 3.19Å
1392G68.4Low83.6Confident24 Ų2467.4 Ų67.425%0.24735%0.353CS..  trans-70.9154.4168.300000111.7L1389 E1390 G1394L1389-G1392 WeakPolarHBondContact O-CA 3.38Å; L1389-G1392 PolarHBondContact O-N 2.71Å; E1390-G1392 PolarHBondContact O-N 3.4Å; G1392-G1394 PolarHBondContact O-N 3.27Å
1393K74.2Confident83.4Confident141 Ų14172.5 Ų72.561%0.61337%0.372SS*.SBendtrans-803.6179.5-67.3-175.4-179.5175.80114.1E1327E1327-K1393 WeakPolarHBondContact OE1-CE 3.32Å; E1327-K1393 IonicContact OE1-NZ 3.81Å; E1327-K1393 PolarHBondContact OE1-NZ 2.99Å; E1327-K1393 IonicContact OE2-NZ 2.75Å
1394G83.4Confident82.8Confident23 Ų2374.8 Ų74.824%0.23739%0.389CS..SBendtrans156.8-170.6-172.300000110G1392G1392-G1394 PolarHBondContact O-N 3.27Å
1395P85.8Confident81.7Confident49 Ų4975.6 Ų75.632%0.31839%0.385SS..BIsolated β-bridgetrans-64.4148.717129-34.9000110.9N1324 Q1386 T1388 E1397N1324-P1395 WeakPolarHBondContact CB-O 3.37Å; N1324-P1395 PolarHBondContact ND2-O 2.93Å; Q1386-P1395 HydrophobicContact CG-CB 3.59Å; Q1386-P1395 HydrophobicContact CG-CG 4.01Å; T1388-P1395 HydrophobicContact CG2-CB 4.04Å; P1395-E1397 PolarHBondContact O-N 3.36Å
1396L88.8Confident80.1Confident6 Ų677.2 Ų77.23%0.03139%0.391CS..PPolyproline II helixtrans-57.4120.4172.9-76.3173.6000109.9I1322 I1325 I1340 I1382 I1387 L1389 V1398I1322-L1396 HydrophobicContact CG2-CD2 3.85Å; I1325-L1396 HydrophobicContact CG1-CD2 4.09Å; I1340-L1396 HydrophobicContact CG2-CD1 4.25Å; I1382-L1396 HydrophobicContact CG2-CB 3.96Å; I1387-L1396 HydrophobicContact CB-CD1 4.32Å; I1387-L1396 HydrophobicContact CG2-CD1 4.16Å; I1387-L1396 WeakPolarHBondContact O-CB 3.2Å; I1387-L1396 WeakPolarHBondContact O-CG 3.43Å; I1387-L1396 PolarHBondContact O-N 3.48Å; L1389-L1396 HydrophobicContact CD1-CD1 4.12Å; L1389-L1396 HydrophobicContact CD1-CD2 3.92Å; L1389-L1396 HydrophobicContact CD1-CG 4.26Å; L1389-L1396 HydrophobicContact CG-CD1 4.17Å; L1389-L1396 HydrophobicContact CG-CG 4.37Å; L1396-V1398 HydrophobicContact CB-CG2 4.5Å
1397E89.1Confident78.5Confident86 Ų8675.5 Ų75.540%0.40239%0.393SS..EExtended strand (participates in β ladder)trans-99.8132.3173.9-174.3-166.7-142.800109I1322 T1323 P1395 K1399I1322-E1397 WeakPolarHBondContact CA-O 3.16Å; T1323-E1397 PolarHBondContact N-O 3.16Å; T1323-E1397 PolarHBondContact O-N 3.04Å; T1323-E1397 VanDerWaalsContact O-N 3.07Å; T1323-E1397 WeakPolarHBondContact OG1-CB 3.13Å; T1323-E1397 PolarHBondContact OG1-O 3.27Å; T1323-E1397 PolarHBondContact OG1-OE2 3.26Å; T1323-E1397 VanDerWaalsContact OG1-OE2 3.07Å; P1395-E1397 PolarHBondContact O-N 3.36Å; E1397-K1399 VanDerWaalsContact CD-CE 3.41Å; E1397-K1399 WeakPolarHBondContact OE1-CE 3.35Å; E1397-K1399 IonicContact OE1-NZ 2.76Å; E1397-K1399 PolarHBondContact OE1-NZ 3.21Å; E1397-K1399 IonicContact OE2-NZ 3.59Å; E1397-K1399 PolarHBondContact OE2-NZ 2.79Å
1398V91.9Very high77Confident2 Ų279.9 Ų79.91%0.01242%0.417CS..EExtended strand (participates in β ladder)trans-132.9127.8-166.6-168.40000110.2V1320 F1341 I1379 I1382 R1383 L1396V1320-V1398 HydrophobicContact CG1-CG1 3.19Å; F1341-V1398 HydrophobicContact CE1-CG1 3.95Å; F1341-V1398 HydrophobicContact CE1-CG2 4.48Å; F1341-V1398 HydrophobicContact CZ-CG1 4.33Å; F1341-V1398 HydrophobicContact CZ-CG2 4.1Å; I1379-V1398 HydrophobicContact CB-CG1 4.43Å; I1379-V1398 HydrophobicContact CG1-CG1 3.82Å; I1382-V1398 HydrophobicContact CB-CG2 3.84Å; I1382-V1398 HydrophobicContact CD1-CG2 4.2Å; I1382-V1398 HydrophobicContact CG2-CG2 3.55Å; R1383-V1398 PolarHBondContact NH2-O 3.16Å; L1396-V1398 HydrophobicContact CB-CG2 4.5Å
1399K91.6Very high74.8Confident95 Ų9582.6 Ų82.641%0.41343%0.428SS..EExtended strand (participates in β ladder)trans-142.6156-172.6-71167.1-179.8157.40110.1V1320 Y1321 E1397 A1401V1320-K1399 CarbonylContact C-O 3.6Å; V1320-K1399 WeakPolarHBondContact CA-O 3.48Å; V1320-K1399 WeakPolarHBondContact CG1-O 3.48Å; Y1321-K1399 PolarHBondContact N-O 2.83Å; Y1321-K1399 PolarHBondContact O-N 2.67Å; E1397-K1399 VanDerWaalsContact CD-CE 3.41Å; E1397-K1399 WeakPolarHBondContact OE1-CE 3.35Å; E1397-K1399 IonicContact OE1-NZ 2.76Å; E1397-K1399 PolarHBondContact OE1-NZ 3.21Å; E1397-K1399 IonicContact OE2-NZ 3.59Å; E1397-K1399 PolarHBondContact OE2-NZ 2.79Å; K1399-A1401 PolarHBondContact O-N 3.42Å
1400L92.8Very high72.6Confident47 Ų4788 Ų8825%0.24645%0.452CS..EExtended strand (participates in β ladder)trans-62.3136.9166-67.8173.6000109.2K1315 I1379K1315-L1400 HydrophobicContact CB-CB 4.02Å; K1315-L1400 HydrophobicContact CB-CD1 4.32Å; K1315-L1400 HydrophobicContact CD-CB 4.46Å; I1379-L1400 HydrophobicContact CD1-CB 4.33Å; I1379-L1400 HydrophobicContact CD1-CD2 3.42Å; I1379-L1400 VanDerWaalsContact CD1-CD2 3.42Å; I1379-L1400 HydrophobicContact CD1-CG 3.56Å
1401A90.1Very high70.7Confident1 Ų186.5 Ų86.51%0.00846%0.455CS..EExtended strand (participates in β ladder)trans-73.9148.7175.200000110.7K1315 D1316 N1319 F1366 K1399K1315-A1401 CarbonylContact C-O 3.47Å; K1315-A1401 WeakPolarHBondContact CA-O 3.38Å; D1316-A1401 PolarHBondContact N-O 3.29Å; N1319-A1401 HydrophobicContact CB-CB 4.01Å; N1319-A1401 WeakPolarHBondContact O-CB 3.41Å; N1319-A1401 PolarHBondContact O-N 3.14Å; F1366-A1401 HydrophobicContact CD1-CB 3.88Å; F1366-A1401 HydrophobicContact CE1-CB 3.72Å; K1399-A1401 PolarHBondContact O-N 3.42Å
1402D89Confident68.5Low84 Ų8487.5 Ų87.545%0.44947%0.469SS..EExtended strand (participates in β ladder)trans-66.8136.9169.6-73-4.1000110.2S1313 Q1404S1313-D1402 WeakPolarHBondContact CB-OD1 3.49Å; S1313-D1402 WeakPolarHBondContact CB-OD2 3.36Å; S1313-D1402 PolarHBondContact OG-OD2 3.42Å; D1402-Q1404 PolarHBondContact O-N 3.02Å; D1402-Q1404 VanDerWaalsContact O-N 3.11Å
1403R84.2Confident66.7Low107 Ų10791.9 Ų91.940%0.40449%0.491SS..PPolyproline II helixtrans-61.8117.4168.1-79.7-178.9172.61745.5108.5E1314 D1316 K1405E1314-R1403 WeakPolarHBondContact O-CB 3.41Å; E1314-R1403 PolarHBondContact O-N 3.22Å; E1314-R1403 IonicContact OE1-CZ 2.77Å; E1314-R1403 IonicContact OE1-NH1 3.71Å; E1314-R1403 PolarHBondContact OE1-NH1 3.33Å; E1314-R1403 WeakPolarHBondContact OE2-CD 3.25Å; E1314-R1403 IonicContact OE2-CZ 2.96Å; E1314-R1403 IonicContact OE2-NE 3.95Å; E1314-R1403 IonicContact OE2-NH1 2.65Å; E1314-R1403 PolarHBondContact OE2-NH1 3.07Å; D1316-R1403 HydrophobicContact CB-CG 3.73Å; R1403-K1405 PolarHBondContact O-N 2.77Å
1404Q75Confident64.6Low178 Ų17890.7 Ų90.783%0.83250%0.496SS*.  trans-60.7103.7164-66.9-175.22.500108.1D1402D1402-Q1404 PolarHBondContact O-N 3.02Å; D1402-Q1404 VanDerWaalsContact O-N 3.11Å
1405K62.3Low61.9Low151 Ų15198.6 Ų98.666%0.65752%0.524SS*.  trans-59.4136.8165.4-75.3-167.4171.3-168.50108.3R1403 S1407R1403-K1405 PolarHBondContact O-N 2.77Å; K1405-S1407 PolarHBondContact O-N 3.23Å; K1405-S1407 VanDerWaalsContact O-N 3.14Å
1406P50.1Low59.1Low95 Ų95100.5 Ų100.562%0.61754%0.544SS*.  trans-53.9125.8165.425.7-32.9000107.5D1408P1406-D1408 VanDerWaalsContact C-N 3.27Å; P1406-D1408 PolarHBondContact O-N 2.69Å
1407S46.6Very low56.1Low92 Ų92106.5 Ų106.564%0.64357%0.566SS**  trans-79.283.2-178-43.30000108.5K1405 D1409K1405-S1407 PolarHBondContact O-N 3.23Å; K1405-S1407 VanDerWaalsContact O-N 3.14Å; S1407-D1409 PolarHBondContact O-N 3.39Å
1408D46.9Very low53.2Low141 Ų141106.6 Ų106.675%0.75458%0.576SS**SBendtrans-74.442178.9-57.5-32.6000111.9P1406P1406-D1408 VanDerWaalsContact C-N 3.27Å; P1406-D1408 PolarHBondContact O-N 2.69Å
1409D36.5Very low50.2Low152 Ų152110.6 Ų110.681%0.81360%0.604SS**SBendtrans-170.486.1165.7-111.3-28.6000110.9S1407S1407-D1409 PolarHBondContact O-N 3.39Å
1410Q35.7Very low47.1Very low143 Ų143115 Ų11567%0.66862%0.623SS**  trans-168.899.9161.1-109.8-73.9-40.500109.4S1412Q1410-S1412 PolarHBondContact O-N 3.02Å
1411P29.1Very low43.9Very low112 Ų112122.2 Ų122.273%0.72765%0.647SS**  trans-71.5100.5174.828.4-32.8000110.8
1412S26.4Very low40.9Very low108 Ų108129 Ų12976%0.75568%0.683SS**  trans48.585.6156.760.80000118.3Q1410Q1410-S1412 PolarHBondContact O-N 3.02Å
1413T30.4Very low38Very low117 Ų117130.7 Ų130.772%0.71870%0.702SS**SBendtrans-130.6100.5134.747.20000111.7
1414T30.7Very low35.2Very low116 Ų116132.2 Ų132.271%0.71271%0.714SS**  trans68.855167.766.60000119.3
1415K26.7Very low33.5Very low189 Ų189129.2 Ų129.282%0.82271%0.709SS**  trans-92.1150.1131.5-75179.6-179.3171.80107.4
1416A27.8Very low32.4Very low89 Ų89127 Ų12774%0.73671%0.711SS**  cis-158.6159.3-18.100000109.8
1417R25.2Very low31.3Very low131 Ų131132 Ų13249%0.49473%0.726SS.*  trans-146.3127.7164.7179.7-174.5-90.9178.5-4.5106.3L962L962-R1417 HydrophobicContact CD2-CB 4.24Å; L962-R1417 HydrophobicContact CD2-CG 4.22Å; L962-R1417 HydrophobicContact CG-CG 4.42Å
1418S27.9Very low30.5Very low88 Ų88132.7 Ų132.762%0.61573%0.731SS**  cis-139.1172.44.850.80000111.6
1419S29.4Very low29.6Very low87 Ų87130.5 Ų130.561%0.60873%0.726SS**  trans-137.8143.4158.5-83.70000109.1F963F963-S1419 WeakPolarHBondContact CE1-O 3.06Å
1420K25.8Very low29.3Very low186 Ų186126 Ų12681%0.80971%0.705SS**  trans-113123.8-163.6177.7-176.5-179.61800111.3
1421R25.9Very low28.8Very low199 Ų199123.5 Ų123.575%0.75170%0.703SS**  trans-175.1132.6146.5-110.2164.8-81.5-164.2-2.3112.2
1422N26.7Very low28.9Very low143 Ų143123.3 Ų123.377%0.76570%0.7SS**  34.9139.2123.4-48.924.4000118.2
1423S29.3Very low28.9Very low120 Ų120121.6 Ų121.684%0.83969%0.688SS**  cis-152.2-174.71349.40000112.8
1424E26Very low29Very low139 Ų139122.7 Ų122.765%0.6569%0.688SS**  trans-82.1166.9-168.3-82.2167152.800116.5F972F972-E1424 WeakPolarHBondContact CE1-OE1 3.36Å; F972-E1424 WeakPolarHBondContact CZ-OE1 3.37Å
1425P39.3Very low29.1Very low115 Ų115121.2 Ų121.275%0.74767%0.674SS**  trans-87.8-144.2173.643.6-40.6000109
1426P37.3Very low29.4Very low105 Ų105119.1 Ų119.168%0.68267%0.672SS**  cis-133.4-174-14.741.4-24.4000114.4
1427E28.6Very low29.4Very low199 Ų199117.3 Ų117.393%0.9366%0.663SS**  trans-132149.5141.8-76.6-162.8162.700111.7
1428S28.1Very low29.5Very low108 Ų108118.6 Ų118.676%0.75568%0.679SS**  trans-122.3162.3-175.148.80000108.2
1429S28.4Very low29.4Very low94 Ų94123.3 Ų123.366%0.65769%0.692SS**  cis-172.5-168.8440.60000109.1
1430T29.7Very low29.5Very low58 Ų58126.8 Ų126.836%0.35670%0.698SS.*  trans77.9110.3155.9-38.10000114.2S992S992-T1430 VanDerWaalsContact CB-CG2 3.45Å; S992-T1430 WeakPolarHBondContact CB-OG1 3.17Å; S992-T1430 WeakPolarHBondContact OG-CG2 3.41Å; S992-T1430 PolarHBondContact OG-OG1 3.03Å
1431S26.5Very low29.8Very low91 Ų91123.1 Ų123.164%0.63669%0.691SS**  cis74.3152.244.797.90000113.2
1432T30.3Very low29.9Very low108 Ų108117.6 Ų117.666%0.66369%0.688SS**  cis-157.4169.8-1.6-110000106.5
1433S27.6Very low29.9Very low72 Ų72122.1 Ų122.150%0.50370%0.695SS.*  cis-164-175.5-0.1-152.30000109.4
1434L31.1Very low29.9Very low139 Ų139126.5 Ų126.573%0.72870%0.695SS**  trans119.7119.4154.1-68.4170.5000118.2E921E921-L1434 VanDerWaalsContact CD-CA 3.41Å; E921-L1434 WeakPolarHBondContact OE1-CA 3.16Å; E921-L1434 PolarHBondContact OE1-N 3.3Å; E921-L1434 WeakPolarHBondContact OE2-CA 3.03Å
1435M33.3Very low30.4Very low85 Ų85126.4 Ų126.442%0.41971%0.706SS.*  trans-86.9131-173.7-102.5-174.4-177.900111.9K919 E921K919-M1435 HydrophobicContact CB-CE 3.72Å; K919-M1435 HydrophobicContact CD-CE 4.29Å; K919-M1435 HydrophobicContact CD-CG 3.98Å; K919-M1435 HydrophobicContact CG-CE 3.78Å; K919-M1435 HydrophobicContact CG-CG 4.17Å; E921-M1435 HydrophobicContact CB-CE 3.99Å; E921-M1435 HydrophobicContact CB-CG 3.88Å; E921-M1435 HydrophobicContact CB-SD 3.86Å; E921-M1435 HydrophobicContact CG-CG 4.38Å; E921-M1435 PolarHBondContact OE1-N 3.38Å; E921-M1435 WeakPolarHBondContact OE2-CB 3.35Å; E921-M1435 PolarHBondContact OE2-N 3.23Å
1436N33.2Very low29.8Very low145 Ų145131 Ų13178%0.77571%0.709SS**  -135.7161.5126.6-105.7-39.2000109.8K919K919-N1436 PolarHBondContact NZ-O 3.25Å
1437G28.4Very low29.4Very low52 Ų52130.8 Ų130.854%0.53671%0.705SS.*  trans-102.4153.1171.600000111.3
1438N26.6Very low29.5Very low157 Ų157130.9 Ų130.984%0.8470%0.697SS**  trans75.5143.8161.6-50.2-9.4000117.4
1439E27Very low29.6Very low188 Ų188135.6 Ų135.688%0.87970%0.704SS**  trans60.9142.8178.5-71.2148.9-142.400115.1
1440E30.5Very low29.6Very low159 Ų159135.3 Ų135.374%0.74369%0.692SS**  cis-143.9-164.69-141.9-146.7109.800113.5
1441T32Very low29.4Very low109 Ų109136.1 Ų136.167%0.66970%0.7SS**  trans-49.8127.9-171.548.30000119
1442A28.2Very low29.5Very low83 Ų83139.3 Ų139.369%0.68671%0.71SS**  54.5128.1118.900000123.2
1443R27.2Very low29.3Very low239 Ų239138.6 Ų138.690%0.90271%0.709SS**  trans80.8120.2147.6-64.6-179.5-172.5-157.45.3121.3
1444Y28.3Very low29.5Very low212 Ų212142.8 Ų142.883%0.83172%0.724SS**  trans-46.9139.5143.3-66.5-100.4000113.4
1445P36Very low29.9Very low137 Ų137144.4 Ų144.489%0.8973%0.733SS**  trans-78.4117.8149.830.9-28.9000109.8
1446R26.5Very low29.9Very low212 Ų212145.6 Ų145.680%0.875%0.747SS**  trans-111.7136.3-176.4-131.2-168.5-176.41730.6110.3
1447T29.8Very low29.7Very low100 Ų100145.2 Ų145.261%0.61375%0.745SS**  trans61149.5155.165.80000120.3Q1450T1447-Q1450 PolarHBondContact O-NE2 3.36Å; T1447-Q1450 PolarHBondContact OG1-NE2 3.22Å
1448R30.6Very low29.8Very low200 Ų200148.4 Ų148.476%0.75575%0.75SS**SBend-146.6147.8124.6-107.6-175.1169.9156.35.1108.3Q1450R1448-Q1450 HydrophobicContact CG-CB 4.15Å; R1448-Q1450 HydrophobicContact CG-CG 3.86Å; R1448-Q1450 VanDerWaalsContact CG-OE1 3.32Å; R1448-Q1450 VanDerWaalsContact CZ-OE1 3.31Å; R1448-Q1450 VanDerWaalsContact NH2-OE1 3.1Å
1449K30Very low29.8Very low207 Ų207147.5 Ų147.590%0.975%0.745SS**SBendcis-125.8172.811.1-61.7178.7-179.7179.60113.1
1450Q28.4Very low29.7Very low89 Ų89146.6 Ų146.642%0.41674%0.741SS.*  -176.3167.4-87.1-104.5-168.54.400109.8T1447 R1448T1447-Q1450 PolarHBondContact O-NE2 3.36Å; T1447-Q1450 PolarHBondContact OG1-NE2 3.22Å; R1448-Q1450 HydrophobicContact CG-CB 4.15Å; R1448-Q1450 HydrophobicContact CG-CG 3.86Å; R1448-Q1450 VanDerWaalsContact CG-OE1 3.32Å; R1448-Q1450 VanDerWaalsContact CZ-OE1 3.31Å; R1448-Q1450 VanDerWaalsContact NH2-OE1 3.1Å
1451S25.1Very low29.4Very low74 Ų74145.7 Ų145.752%0.51774%0.74SS.*  trans16.8112.315362.50000118.2
1452D30.5Very low29Very low158 Ų158144.6 Ų144.685%0.84574%0.737SS**  -150.2145.8113.9-88.7-36000109.4
1453C25.9Very low28.9Very low94 Ų94147.3 Ų147.364%0.63574%0.74SS**  cis-165.6-174.4-32.2-125.50000109.9
1454L30.5Very low28.8Very low159 Ų159143.4 Ų143.483%0.83273%0.732SS**  trans67.8105.8166.1-47.3-175.8000118.3
1455L39.5Very low28.5Very low173 Ų173139.6 Ų139.691%0.90673%0.725SS**  trans-86.3156.8133.7-71.2171.1000108.3
1456P33.5Very low28Very low110 Ų110138.5 Ų138.571%0.71472%0.716SS**  trans-131.4125.1142.134.2-22000113.1
1457N28.7Very low28.3Very low137 Ų137135.3 Ų135.373%0.73371%0.713SS**  trans57.3139.2134.4-78.450.5000124.3
1458D31.9Very low28.1Very low119 Ų119137.1 Ų137.164%0.63672%0.72SS**  trans68.696.7138.1-64.9-43.5000121.9
1459N25.1Very low28Very low139 Ų139132 Ų13274%0.74372%0.715SS**  63.4137.8108.8-80.4-49.8000121.8
1460Q25Very low28Very low168 Ų168129 Ų12979%0.78571%0.708SS**  trans80.6155.1154.1-64.7-83.510.900119.8
1461L25.3Very low28.1Very low141 Ų141131.8 Ų131.874%0.73872%0.721SS**  trans63.9104.8164.3-93.571.2000121.1
1462S24.4Very low28.4Very low85 Ų85135.1 Ų135.159%0.59473%0.732SS**  47.7139.3117.670.80000123.2
1463N24.4Very low28.2Very low140 Ų140138.1 Ų138.175%0.74973%0.732SS**  trans69.7121.9143.5-67.6-15.2000120.7
1464H25.2Very low28.4Very low158 Ų158138.9 Ų138.973%0.73174%0.738SS**  trans66.4139.9138.3-87.1-82.4000122.5
1465N23.7Very low28.2Very low131 Ų131138.5 Ų138.570%0.70174%0.737SS**  trans70.8115.9145.6-63.2-2.2000121
1466V25.5Very low28.1Very low115 Ų115136 Ų13670%0.69773%0.731SS**  45.9107.9120.7-173.40000119.1
1467I30.9Very low27.9Very low144 Ų144133.8 Ų133.874%0.73873%0.729SS**  33.9144.7125-38.2170000119.3
1468N26.3Very low28.1Very low139 Ų139133.8 Ų133.874%0.74373%0.733SS**  trans101.3159.8165.2-53.5-68.5000113.3
1469S29.6Very low28Very low93 Ų93136.2 Ų136.265%0.6575%0.745SS**  cis-150.1164.716.4-44.10000113
1470N28.7Very low28.1Very low144 Ų144133 Ų13377%0.7775%0.745SS**  -173.3141125.4-92.4-21.6000111.1
1471Q30.7Very low28.8Very low147 Ų147131.5 Ų131.569%0.68775%0.75SS**  cis-167.6167-30.2-133-170.687.100108.8
1472L31.3Very low28.8Very low143 Ų143129.7 Ų129.775%0.74976%0.755SS**  trans70.2139.3167.9-59.7161.9000116.4
1473R26Very low28.9Very low222 Ų222130.1 Ų130.184%0.83876%0.758SS**  cis-160172-6.6-148.2178.9-179.3-157.8-0.2111
1474S29.6Very low28.9Very low109 Ų109130.1 Ų130.176%0.76276%0.758SS**  trans73.4123.4175.973.70000114.9
1475N27.7Very low29Very low152 Ų152130.7 Ų130.781%0.81377%0.766SS**  cis71.8142.87.1-132.534.4000115
1476P36.4Very low29.2Very low119 Ų119130.2 Ų130.277%0.77377%0.768SS**  cis-137161.720.841.5-23.7000119.1
1477G28.7Very low29.1Very low65 Ų65129 Ų12967%0.6776%0.764SS**  trans100.1142.8160.600000115.6
1478V33Very low29Very low137 Ų137133.6 Ų133.683%0.8377%0.772SS**  cis-143148.1-2.1171.10000110.7
1479L29.7Very low29Very low170 Ų170132.6 Ų132.689%0.8977%0.767SS**  trans-20148.3169.6-65153.5000120.4
1480G27.4Very low29Very low72 Ų72135.4 Ų135.474%0.74278%0.78SS**  112.2116.8127.300000118.2
1481P39.9Very low29Very low136 Ų136132.8 Ų132.888%0.88377%0.77SS**  trans-98.4152.6168.937.4-31.7000112.8
1482A25.9Very low29Very low103 Ų103132.1 Ų132.185%0.85177%0.77SS**  trans-153.215816300000111.1
1483S26.3Very low28.9Very low94 Ų94136.2 Ų136.266%0.65778%0.776SS**  trans-79.2-180168.252.40000111.7
1484D24.1Very low29.2Very low139 Ų139132.6 Ų132.674%0.74377%0.773SS**  trans64.4106.8160.3-50-56.6000117.8
1485L27.6Very low29.2Very low170 Ų170133.7 Ų133.789%0.8977%0.77SS**  -155.1152.8108.7-107.8170.2000111.5
1486T27.5Very low29.5Very low121 Ų121133.5 Ų133.574%0.74277%0.769SS**  trans-96.1151-172.750.30000112.1
1487S24.5Very low29.2Very low89 Ų89131.9 Ų131.962%0.62276%0.76SS**  trans57.2133.1144.9-162.20000119.7
1488W28.5Very low29.5Very low241 Ų241134.7 Ų134.791%0.91376%0.76SS**  -175.9124.3100.5-104.874.4000109.5
1489D25.7Very low29.7Very low119 Ų119132.8 Ų132.864%0.63675%0.753SS**  trans-68.7146.1174.9-77.5-76.7000112.7T1491D1489-T1491 WeakPolarHBondContact OD1-CG2 3.12Å
1490V30Very low30Very low152 Ų152130.4 Ų130.492%0.92174%0.74SS**  -133.7113.1126.7-177.30000108.5
1491T29Very low30.5Very low89 Ų89132.8 Ų132.855%0.54673%0.733SS.*  trans-104.7154.1178.251.70000113D1489D1489-T1491 WeakPolarHBondContact OD1-CG2 3.12Å
1492N29.6Very low30.5Very low132 Ų132132.7 Ų132.771%0.70673%0.725SS**  trans64.7129.3154.1-63.4-43.3000120.2
1493R30.4Very low31.1Very low229 Ų229130.6 Ų130.686%0.86471%0.708SS**  -157.4128.9115.7-110.5162.3-152.8-83.1-4.8113.9
1494L31Very low31.6Very low147 Ų147130.8 Ų130.877%0.7770%0.701SS**  trans72.2106.2165.7-49.5176.7000114.1
1495N30.7Very low32.3Very low132 Ų132133.5 Ų133.571%0.70670%0.701SS**  cis83.898.136.4-54.813.2000114.8
1496N33.3Very low32.6Very low148 Ų148128.5 Ų128.579%0.79168%0.684SS**  -162122.1122.1-105.5-2.7000109.4
1497S29.6Very low32.7Very low85 Ų85126.1 Ų126.159%0.59468%0.676SS**  trans-85.6-17.4-165.841.80000115.4S1499 L1500S1497-S1499 VanDerWaalsContact C-N 3.34Å; S1497-S1499 PolarHBondContact O-N 2.76Å; S1497-L1500 PolarHBondContact O-N 2.78Å
1498D35.9Very low33.1Very low124 Ų124133.2 Ų133.266%0.66369%0.69SS**Hα-helixtrans-80.5-16.2-163.4-51.7-36.5000113.4
1499S37.2Very low33.1Very low97 Ų97124.9 Ų124.968%0.67867%0.672SS**Hα-helixtrans-77.3-23.5171.7-60.60000113.6S1497 A1503S1497-S1499 VanDerWaalsContact C-N 3.34Å; S1497-S1499 PolarHBondContact O-N 2.76Å; S1499-A1503 WeakPolarHBondContact O-CB 3Å; S1499-A1503 PolarHBondContact O-N 3.4Å
1500L36.2Very low33.1Very low120 Ų120122.5 Ų122.563%0.62867%0.665SS**Hα-helixtrans-79.9-40.6-174.9-163.1115.5000112.3S1497 A1503 L1504S1497-L1500 PolarHBondContact O-N 2.78Å; L1500-A1503 PolarHBondContact O-N 3.44Å; L1500-L1504 HydrophobicContact CD2-CD1 3.88Å; L1500-L1504 HydrophobicContact CG-CD1 4.41Å; L1500-L1504 PolarHBondContact O-N 2.97Å
1501M36.9Very low33.2Very low121 Ų121122.6 Ų122.660%0.59666%0.66SS**Hα-helixtrans-70.3-29.7176.6-83.4-68.7-73.100113.2R1505M1501-R1505 PolarHBondContact O-N 3.31Å; M1501-R1505 VanDerWaalsContact O-N 3.16Å
1502L41.6Very low33.2Very low134 Ų134122.6 Ų122.670%0.70266%0.664SS**Hα-helixtrans-71.8-40.9172.2-121.672.5000111.8R1505 A1506L1502-R1505 PolarHBondContact O-N 2.92Å; L1502-A1506 WeakPolarHBondContact O-CB 3.39Å; L1502-A1506 PolarHBondContact O-N 2.96Å
1503A37.3Very low33Very low60 Ų60123 Ų12350%0.49667%0.666SS.*Hα-helixtrans-60.7-44.2174.400000112S1499 L1500 R1505 A1506 A1507S1499-A1503 WeakPolarHBondContact O-CB 3Å; S1499-A1503 PolarHBondContact O-N 3.4Å; L1500-A1503 PolarHBondContact O-N 3.44Å; A1503-R1505 PolarHBondContact O-N 3.21Å; A1503-A1506 PolarHBondContact O-N 3.33Å; A1503-A1507 WeakPolarHBondContact O-CB 3.43Å; A1503-A1507 PolarHBondContact O-N 2.96Å
1504L37.3Very low32.9Very low97 Ų97116.5 Ų116.551%0.50865%0.645SS.*Hα-helixtrans-66.5-34177.8-79162.9000113.4L1500L1500-L1504 HydrophobicContact CD2-CD1 3.88Å; L1500-L1504 HydrophobicContact CG-CD1 4.41Å; L1500-L1504 PolarHBondContact O-N 2.97Å
1505R38.2Very low32.7Very low197 Ų197115.7 Ų115.774%0.74364%0.641SS**Hα-helixtrans-73.7-34171.3-95.8-177.6171.8151.9-0.3113.6M1501 L1502 A1503 A1507M1501-R1505 PolarHBondContact O-N 3.31Å; M1501-R1505 VanDerWaalsContact O-N 3.16Å; L1502-R1505 PolarHBondContact O-N 2.92Å; A1503-R1505 PolarHBondContact O-N 3.21Å; R1505-A1507 VanDerWaalsContact C-N 3.34Å
1506A34Very low32.6Very low65 Ų65114.7 Ų114.754%0.53765%0.645SS.*Hα-helixtrans-66.6-36.7174.900000112.2L1502 A1503 W1508 A1509L1502-A1506 WeakPolarHBondContact O-CB 3.39Å; L1502-A1506 PolarHBondContact O-N 2.96Å; A1503-A1506 PolarHBondContact O-N 3.33Å; A1506-W1508 VanDerWaalsContact C-N 3.32Å; A1506-W1508 PolarHBondContact O-N 3.24Å; A1506-A1509 PolarHBondContact O-N 2.95Å
1507A30.6Very low32.3Very low70 Ų70115 Ų11558%0.57965%0.646SS**Hα-helixtrans-66-27.4179.900000114.2A1503 R1505A1503-A1507 WeakPolarHBondContact O-CB 3.43Å; A1503-A1507 PolarHBondContact O-N 2.96Å; R1505-A1507 VanDerWaalsContact C-N 3.34Å
1508W33Very low32.2Very low238 Ų238120.9 Ų120.990%0.90266%0.661SS**THydrogen-bonded Turntrans-95.10.6-179.2-79.525.5000114.2A1506A1506-W1508 VanDerWaalsContact C-N 3.32Å; A1506-W1508 PolarHBondContact O-N 3.24Å
1509A27.9Very low32Very low66 Ų66121.2 Ų121.255%0.54566%0.663SS.*SBendtrans-111.628.7-178.800000113.4R1232 A1506R1232-A1509 PolarHBondContact NH2-O 2.93Å; A1506-A1509 PolarHBondContact O-N 2.95Å
1510S25.9Very low31.5Very low69 Ų69123.6 Ų123.648%0.48367%0.667SS.*  trans-143.965.3-178.1-62.30000114.4R1232R1232-S1510 PolarHBondContact NH2-OG 3.04Å
1511N31.2Very low31.1Very low154 Ų154126.1 Ų126.182%0.82467%0.668SS**  trans-135.4150.5149.8-100.5-31.3000109.3
1512S28.5Very low30.7Very low90 Ų90126.2 Ų126.263%0.62967%0.671SS**  trans-157.5125.8-174.9-170.20000110.3
1513L27Very low30Very low141 Ų141124.9 Ų124.974%0.73867%0.673SS**  trans69.7147.3-176.1-54.3152.4000112.3
1514Q28.1Very low29.5Very low91 Ų91130.3 Ų130.343%0.42569%0.692SS.*  cis-124.3161.513.8-66-176.63600116.6N210 D211N210-Q1514 PolarHBondContact O-NE2 2.75Å; D211-Q1514 PolarHBondContact OD1-NE2 3.02Å; D211-Q1514 WeakPolarHBondContact OD2-CG 3.26Å
1515N27Very low29.1Very low130 Ų130128.8 Ų128.870%0.69570%0.699SS**  trans68120.3141.9-74.3-26.4000124.9
1516S28.6Very low28.8Very low112 Ų112127.7 Ų127.778%0.78370%0.702SS**  trans71.1122.2134.460.20000121.1
1517N26.8Very low28.6Very low154 Ų154130.6 Ų130.682%0.82471%0.709SS**  trans-65.5146.5162.5-53.5-73.6000111.4
1518F27.7Very low28.5Very low208 Ų208134.9 Ų134.991%0.91272%0.722SS**  trans-125145.3144.9-139.2-88.4000109
1519L30.3Very low28.3Very low132 Ų132131.8 Ų131.869%0.69172%0.723SS**  trans-109138.9-170.1-82.2170000111.7
1520L28.1Very low28.3Very low146 Ų146132.5 Ų132.576%0.76472%0.72SS**  trans68.2157155.8-58.1160.5000114.7
1521R27.1Very low28.5Very low173 Ų173133.4 Ų133.465%0.65373%0.727SS**  cis-157.2161.66.5-140.7-175.2-179.8-171.1-0.3112
1522N27.8Very low28.3Very low124 Ų124129.4 Ų129.466%0.66371%0.708SS**  trans53.591.5151.8-69.23.5000121.6
1523S26.6Very low28.3Very low105 Ų105128.8 Ų128.873%0.73470%0.698SS**  4.1159.3112.1-36.60000122.4
1524I28.4Very low28.4Very low175 Ų175128.8 Ų128.890%0.89769%0.694SS**  trans85.9128.9162.6-53.2166.8000115.4
1525G29.1Very low28.4Very low64 Ų64130.2 Ų130.266%0.6670%0.704SS**  cis159.1152.3-7.900000114.2
1526Q30.7Very low28.3Very low174 Ų174131 Ų13181%0.81371%0.708SS**  trans-162144.9172.5-80-151.47.400108.3
1527N30.8Very low28.6Very low127 Ų127138 Ų13868%0.67972%0.717SS**  cis-147.6163.9-10.4-77.3-36.1000108.9
1528N26.9Very low28.7Very low160 Ų160134.1 Ų134.186%0.85671%0.714SS**  trans-104.8154.1164.2-92.11.2000110.9
1529L30.4Very low29Very low173 Ų173132.7 Ų132.791%0.90672%0.715SS**  trans-155.8148.7159-109.2171.1000110.5
1530T27.7Very low29.1Very low80 Ų80134.3 Ų134.349%0.49172%0.723SS.*  trans-150.6125.5-168.749.80000112.7
1531S30.1Very low29.7Very low89 Ų89132.6 Ų132.662%0.62272%0.721SS**  trans-170.4128.5164.257.40000116.7
1532T27.1Very low29.9Very low69 Ų69131.9 Ų131.942%0.42373%0.729SS.*  trans42.5151.1137.166.20000124.6Q899 M900Q899-T1532 HydrophobicContact CB-CG2 3.83Å; Q899-T1532 HydrophobicContact CG-CG2 4.48Å; Q899-T1532 VanDerWaalsContact OE1-N 3.12Å; M900-T1532 HydrophobicContact CB-CG2 4.19Å
1533N27.2Very low30.5Very low78 Ų78130.5 Ų130.542%0.41773%0.727SS.*  cis-167.1171.6-41.5-153.25.7000112.3L898 Q899L898-N1533 HydrophobicContact CB-CB 4.36Å; L898-N1533 VanDerWaalsContact CB-OD1 3.32Å; L898-N1533 WeakPolarHBondContact CB-OD1 3.24Å; L898-N1533 WeakPolarHBondContact CD1-OD1 3.49Å; Q899-N1533 WeakPolarHBondContact O-CB 3.3Å; Q899-N1533 PolarHBondContact O-ND2 3.46Å
1534E29.4Very low30.6Very low141 Ų141131.8 Ų131.866%0.65973%0.725SS**  trans27.8114.1153.7-76.9-160.5-132.400124.6
1535N27.5Very low30.8Very low121 Ų121131.7 Ų131.765%0.64772%0.721SS**  75.9131.3118.3-64.8-27.5000125
1536N26.5Very low30.8Very low146 Ų146134 Ų13478%0.78172%0.722SS**  trans69.6108.9149.1-67.5-31.9000121.8
1537R34Very low30.7Very low258 Ų258131.6 Ų131.697%0.97472%0.72SS**  -176.9150.5114.3-97.4158.9-171.1-173.94.1111.4
1538G28.2Very low30.5Very low73 Ų73133.3 Ų133.375%0.75372%0.723SS**  trans-134.6159.2175.800000112.1
1539L35.8Very low30.3Very low178 Ų178132 Ų13293%0.93272%0.716SS**  trans-121.5134.2173.4-74.2170.3000109.8
1540L32.4Very low30.2Very low166 Ų166129.1 Ų129.187%0.86971%0.705SS**  trans-114.1178.4172.1-72.4168000108.8
1541P38.8Very low30.1Very low111 Ų111131.6 Ų131.672%0.72172%0.715SS**  trans-135.2128.1131.632.7-19.7000114.2
1542I32Very low30.2Very low157 Ų157136.4 Ų136.481%0.80573%0.725SS**  trans70.7132.9131.6-67.1168.4000118.1
1543P40.5Very low30.1Very low96 Ų96141.3 Ų141.362%0.62375%0.746SS**  cis-144.3-169.4-22.441-21.3000115.5
1544N29.5Very low30.1Very low132 Ų132142.3 Ų142.371%0.70676%0.758SS**  trans77.5117.2150-73.5-10.4000121.8
1545Q31.9Very low30.1Very low173 Ų173142.2 Ų142.281%0.80876%0.758SS**  trans70153.6141.5-61.4-177.419.500118.3
1546T29.2Very low30.1Very low112 Ų112143.3 Ų143.369%0.68776%0.759SS**  cis-164.3116.6-22.2-88.60000108.1
1547V29.5Very low30Very low124 Ų124143.2 Ų143.275%0.75275%0.752SS**  trans39.8129132.6173.50000121.3
1548H25.3Very low30.2Very low162 Ų162137.8 Ų137.875%0.7574%0.741SS**  trans66.7123.4150.8-89.5-142.3000122.8
1549L23.1Very low30.8Very low134 Ų134139.1 Ų139.170%0.70274%0.736SS**  65.7168.4109.5-139.1136.1000119.7
1550T29.3Very low30.5Very low112 Ų112138.5 Ų138.569%0.68773%0.734SS**  trans74.8126.9174.464.60000118.7
1551N24.8Very low30.5Very low131 Ų131133.6 Ų133.670%0.70172%0.724SS**  11.4138.2123.3-51.5-17.3000116
1552F32.1Very low30.2Very low191 Ų191135.9 Ų135.984%0.83873%0.728SS**  -154.4155.762.8-113.6-90.5000115.4
1553M24.5Very low30.2Very low172 Ų172135.1 Ų135.185%0.84773%0.725SS**  trans-74.7178.3161.5-65.8-177171.900111.4
1554S28.1Very low29.8Very low98 Ų98137.4 Ų137.469%0.68573%0.727SS**  trans84.8149158.885.10000116.8
1555Q30Very low29.9Very low140 Ų140136 Ų13665%0.65472%0.719SS**  cis-152.4160.7-16.2-115.7177.395.800107.7
1556Q26.1Very low30Very low143 Ų143134.9 Ų134.967%0.66871%0.714SS**  37.2147.687.2-47.1-175-0.700114.9
1557K25.8Very low30Very low144 Ų144136.2 Ų136.263%0.62672%0.717SS**  cis-150.4148.620.7-114.8124.6175.4158.60108.8
1558I37.8Very low30.3Very low145 Ų145135 Ų13574%0.74471%0.712SS**  47.6114.786.6-45.4173.7000116
1559P39.8Very low30.3Very low101 Ų101133.6 Ų133.666%0.65671%0.714SS**  trans-106.1159.9143.736.3-28.1000110.9
1560N31Very low30.4Very low164 Ų164134.4 Ų134.488%0.87772%0.715SS**  cis-156.5156.7-15.4-87.6-23.3000105.7
1561G30.5Very low30.5Very low64 Ų64135.5 Ų135.566%0.6671%0.711SS**  cis174.7-151.21.400000110.5
1562I33Very low30.7Very low158 Ų158135.5 Ų135.581%0.8171%0.711SS**  trans86.395.7172.2-53.9179.5000117.3
1563L31.7Very low30.6Very low142 Ų142133.8 Ų133.874%0.74371%0.71SS**  trans60.2145.3146.5-84.159.9000120.2
1564H33.3Very low31Very low143 Ų143131.6 Ų131.666%0.66271%0.706SS**  cis-153.6143.26.4-140.5-24.8000112.6
1565N31.3Very low31.4Very low102 Ų102134 Ų13455%0.54572%0.717SS.*  trans48.9118.1146.2-78.425.8000122.3
1566Q33.6Very low31.5Very low151 Ų151130.5 Ų130.571%0.70672%0.719SS**  85.5145.285.5-73.91791.300113.4
1567N29.2Very low32.3Very low139 Ų139130 Ų13074%0.74373%0.728SS**  cis-152.1166.3-4.5-118.8-5.6000111.7
1568P35.4Very low32.5Very low100 Ų100129.7 Ų129.765%0.64974%0.738SS**  trans-112.6-179.2-178.240-29.5000115.1
1569V26.3Very low32.1Very low132 Ų132127.3 Ų127.380%0.874%0.74SS**  trans61.6163.4169.8-95.20000116.4
1570Q25.9Very low31.5Very low151 Ų151129.1 Ų129.171%0.70675%0.749SS**  cis-156.2169.516.1-141.61691000113.2
1571H30.2Very low31.3Very low134 Ų134125.7 Ų125.762%0.6274%0.743SS**  trans65.6126.5152.2-80.9-60.5000124.1
1572N28.8Very low31.1Very low131 Ų131127.8 Ų127.870%0.70176%0.755SS**  trans69.2154135.5-59.51.3000119.3
1573L31.3Very low30.7Very low156 Ų156125.1 Ų125.182%0.81776%0.756SS**  cis-137.9-176.51.2-153.773.2000110.8
1574V31.7Very low30.4Very low125 Ų125123 Ų12376%0.75876%0.759SS**  trans-123.7137.1-164.5172.50000114
1575T35.9Very low30.1Very low149 Ų149120 Ų12091%0.91476%0.76SS**  trans-151.4139.7142.147.50000107.5
1576G32.5Very low29.8Very low67 Ų67124.5 Ų124.569%0.69178%0.777SS**  cis161.2167.3-9.700000109.3
1577P43.9Very low29.7Very low131 Ų131121.5 Ų121.585%0.85178%0.778SS**  cis-122.9179.1-14.741.1-26.3000113.6
1578T29.5Very low29.5Very low139 Ų139121.4 Ų121.485%0.85378%0.782SS**  trans-129.2141.2-179.751.30000113.2
1579A30Very low29.3Very low95 Ų95122.8 Ų122.879%0.78579%0.789SS**  trans-162.8130.415000000108
1580V26.4Very low29.5Very low138 Ų138120.4 Ų120.484%0.83678%0.783SS**  cis79.1107.838.3-178.90000113.6
1581A26.5Very low29.6Very low92 Ų92120.7 Ų120.776%0.7679%0.789SS**  178.1144.912800000114.6
1582A26.3Very low29.5Very low109 Ų109121.5 Ų121.590%0.90180%0.797SS**  trans64.6160.1144.700000122
1583A24.8Very low30.1Very low101 Ų101119.9 Ų119.984%0.83579%0.794SS**  trans-127.4148.9175.400000110.1
1584A25.3Very low29.8Very low98 Ų98122 Ų12281%0.8180%0.797SS**  trans-169172.9165.500000111.3
1585A28Very low29.5Very low81 Ų81121.9 Ų121.967%0.66980%0.802SS**  trans39.9118.1145.500000119.8
1586Q23.8Very low29.6Very low195 Ų195126.2 Ų126.291%0.91180%0.801SS**  63.487.174.4-65.6178.8-12.300115.7
1587A31.1Very low29.8Very low89 Ų89128.3 Ų128.374%0.73680%0.803SS**  trans-165.2123.7145.200000106.6
1588V26.7Very low29.1Very low136 Ų136128.9 Ų128.982%0.82480%0.797SS**  59.9100.261.4-173.90000109.3
1589T30.3Very low29Very low130 Ų130128.5 Ų128.580%0.79879%0.79SS**  -161.1154.768.6-51.70000112.6
1590A29.8Very low29Very low82 Ų82131.5 Ų131.568%0.67879%0.792SS**  trans20.8131.4163.200000121.4
1591L28.6Very low29.1Very low156 Ų156136 Ų13682%0.81780%0.796SS**  75.1121.851.9-71.9172000117.3
1592L27.4Very low29.2Very low151 Ų151136 Ų13679%0.79179%0.79SS**  trans-3.5164.2135.4-60.1170.4000119.3
1593P41.5Very low29.5Very low98 Ų98138 Ų13864%0.63679%0.785SS**  cis-142.7-162.2-40.142.1-23.6000112.5
1594F26.6Very low29.7Very low200 Ų200137.1 Ų137.188%0.87777%0.773SS**  trans34.6100.2155.7-80.6-78000120
1595S25Very low30Very low123 Ų123141.4 Ų141.486%0.8678%0.776SS**  -176.3160.5120.4-83.40000112.5
1596R37.5Very low30.1Very low240 Ų240141.4 Ų141.491%0.90678%0.776SS**  trans-88153.2156.3-71.1-177.3177.8-170.7-1.4107.3
1597P37.9Very low30.3Very low111 Ų111139.7 Ų139.772%0.72177%0.773SS**  cis-146.4177.735.943.1-23.9000117.9
1598I27.9Very low30.1Very low143 Ų143142.9 Ų142.973%0.73377%0.774SS**  trans56.6101.1148-65.8159.4000119
1599D27.9Very low30.4Very low131 Ų131145.5 Ų145.570%0.70178%0.777SS**  61132.9124.4-49.4-11.5000124.8
1600N29.3Very low30.4Very low157 Ų157145.3 Ų145.384%0.8478%0.776SS**  trans76.3130.2147.1-64.5-25000121.4
1601Y29.6Very low30.7Very low233 Ų233147.2 Ų147.291%0.91478%0.781SS**  trans-99.4147.5167.8-113.5-88.9000111.4
1602S28.8Very low30.9Very low91 Ų91146.1 Ų146.164%0.63678%0.781SS**  trans-75174.8170.158.60000111.3
1603L32.6Very low31Very low151 Ų151144.9 Ų144.979%0.79178%0.779SS**  -162152.254.1-157.182.1000114.3
1604S28.7Very low30.9Very low83 Ų83145.3 Ų145.358%0.5878%0.782SS**  trans-60.1169.7161.445.50000113.8
1605Q30.2Very low31.2Very low188 Ų188140.8 Ų140.888%0.87978%0.776SS**  cis-176.3176.6-9.8-101.4176.3-1.200105.2
1606A30.3Very low31.6Very low81 Ų81142.8 Ų142.867%0.66977%0.773SS**  cis-176.4170.4-26.500000107.1
1607L28.8Very low31.4Very low160 Ų160138.5 Ų138.584%0.83877%0.767SS**  trans178150.1137.2-97.1163.4000112.3
1608M27Very low31Very low156 Ų156136 Ų13677%0.76876%0.76SS**  trans20.2112.7156.6-58.5-65.8-164.400120.2
1609H32.4Very low31.8Very low191 Ų191135.1 Ų135.188%0.88477%0.765SS**  175.1131.9107.4-101.7-81000112.8
1610T30.7Very low31.9Very low126 Ų126137.4 Ų137.477%0.77377%0.773SS**  trans-94.2152.6166.153.10000109.6
1611P36.7Very low32.1Very low121 Ų121137.7 Ų137.779%0.78677%0.773SS**  -153.7-170.275.234.9-10.7000117.3
1612V31.3Very low32.1Very low134 Ų134134.8 Ų134.881%0.81277%0.768SS**  trans95.789.7161.8-165.90000118.6
1613T30.1Very low32.6Very low124 Ų124135.5 Ų135.576%0.76177%0.77SS**  trans-61.8157150.549.10000112.5
1614P39.6Very low32.4Very low108 Ų108132.6 Ų132.670%0.70177%0.768SS**  -140.9147.562.933.3-12.1000115.8
1615S32.8Very low32.6Very low105 Ų105134.7 Ų134.773%0.73478%0.783SS**  70.4151.784.3109.50000113.7
1616M33.3Very low32.4Very low164 Ų164132.5 Ų132.581%0.80878%0.777SS**  cis-153.2166.514-119.3-177.4-171.500107.2
1617I33.8Very low32.2Very low151 Ų151138.7 Ų138.777%0.77478%0.783SS**  cis-158-175.9-5.5-157.9165.2000108.1
1618G28.2Very low32.1Very low57 Ų57137.3 Ų137.359%0.58878%0.781SS**  trans-143.2168.4166.200000112
1619P46.2Very low32.3Very low126 Ų126134.6 Ų134.682%0.81878%0.784SS**  -139.3154112.630.9-14.6000112.8
1620M29.9Very low32Very low178 Ų178131 Ų13188%0.87778%0.78SS**  cis95.6139.829.7-164.1-178.6-175.600113.8
1621I33.1Very low32.4Very low163 Ų163130.3 Ų130.384%0.83678%0.778SS**  trans112.1150.6171.4-58.6172.7000115.9
1622Q28.8Very low32.2Very low173 Ų173130.8 Ų130.881%0.80877%0.773SS**  trans-117.4-167.2-161.3-88.9-177.4-14.600110.7
1623P39.6Very low32.2Very low105 Ų105130.2 Ų130.268%0.68276%0.764SS**  cis-141-178.3-49.741-24.6000115
1624A28.2Very low32.7Very low90 Ų90127.6 Ų127.674%0.74475%0.749SS**  trans70.9170.1138.200000123.3
1625S32.7Very low32.5Very low128 Ų128128.4 Ų128.490%0.89575%0.748SS**  trans90.4170.5170.681.40000117.9
1626N26.8Very low32.6Very low141 Ų141129.8 Ų129.875%0.75475%0.745SS**  trans-155.6156.4-143.3-147.3-2.9000111.5
1627W25.1Very low32.6Very low212 Ų212132 Ų13280%0.80375%0.746SS**  trans78.5139.8164.6-7429.3000121.7
1628T27.2Very low32.6Very low130 Ų130132.3 Ų132.380%0.79874%0.744SS**  trans74.9147.8150.448.40000122.8
1629A31.6Very low33Very low99 Ų99134.5 Ų134.582%0.81875%0.751SS**  trans78.1102.7161.700000120.5
1630S25.6Very low32.3Very low115 Ų115140.1 Ų140.180%0.80477%0.771SS**  trans-57.6-179.6157-25.20000114.2
1631P39.6Very low32.5Very low112 Ų112138.3 Ų138.373%0.72777%0.766SS**  cis-141.4-167.5-4.533-8.8000115.7
1632L32Very low32.4Very low131 Ų131136.9 Ų136.969%0.68676%0.762SS**  trans94.1119.8151.4-67.3167.1000122.6P636P636-L1632 HydrophobicContact CG-CD2 4.27Å
1633I32.8Very low32.6Very low122 Ų122134.9 Ų134.963%0.62676%0.76SS**  trans85.5142139.2-71.7170000119.2P636P636-I1633 HydrophobicContact CG-CG1 4.46Å
1634P39.3Very low32.2Very low70 Ų70136.7 Ų136.746%0.45577%0.765SS.*  trans-133.8-174.8-147.542.9-24.3000116.8
1635N35.2Very low32.5Very low125 Ų125139.6 Ų139.667%0.66877%0.766SS**  trans70.2152.3161.2-61.6-23.2000117.9
1636I36.2Very low32.5Very low133 Ų133140.4 Ų140.468%0.68276%0.757SS**  cis-157.2137.9-20.9-105.8160.6000104.5
1637Y33.1Very low32.9Very low212 Ų212140.4 Ų140.483%0.83176%0.757SS**  trans-160.5133.7147.2-112.1-78.9000111.6
1638Q34.5Very low33.5Very low156 Ų156134.8 Ų134.873%0.72975%0.754SS**  trans-25.2159.4154.7-67.4162.9-28.800117.3
1639S36Very low34Very low103 Ų103135.3 Ų135.372%0.7275%0.75SS**  cis-172.5136.1-9.447.10000111.7
1640I32.1Very low34.2Very low245 Ų245138.5 Ų138.5100%1.25674%0.744SS**  trans-153.10144.7-100.9164.8000106.4

Retrieved 1,640 of 1,640 residues in 274.7 ms (Link to these results)