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Microtubule-associated protein tau

Promotes microtubule assembly and stability, and might be involved in the establishment and maintenance of neuronal polarity1. The C-terminus binds axonal microtubules while the N-terminus binds neural plasma membrane components, suggesting that tau functions as a linker protein between both2,3. Axonal polarity is predetermined by TAU/MAPT localization (in the neuronal cell) in the domain of the cell body defined by the centrosome. The short isoforms allow plasticity of the cytoskeleton whereas the longer isoforms may preferentially play a role in its stabilization.

AlphaFold DB , UniProt , Accession P10636, Species HUMAN (Homo sapiens, Human), Gene MAPT, Length 758 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.6Very low53.4Low245 Ų245158.8 Ų158.8100%1.20780%0.802SS**  0155.90-73.9-56.6-120.100108.2
2A48.2Very low53.4Low103 Ų103156.2 Ų156.285%0.85178%0.784SS**  trans-62.5148-159.900000115.1
3E57.7Low52.8Low131 Ų131156.1 Ų156.161%0.61279%0.788SS**  trans-79.3177157.2-142.4-163.8-127.500108.7R5E3-R5 VanDerWaalsContact CD-N 3.3Å; E3-R5 HydrophobicContact CG-CG 4.49Å; E3-R5 WeakPolarHBondContact OE1-CD 3.2Å; E3-R5 WeakPolarHBondContact OE1-CG 3.14Å; E3-R5 IonicContact OE1-NE 3.27Å; E3-R5 PolarHBondContact OE1-NE 3.37Å; E3-R5 PolarHBondContact OE2-N 2.74Å
4P61Low52.9Low123 Ų123156.4 Ų156.480%0.79978%0.784SS**  -138.5142.172.536.6-20.3000114.7
5R45.7Very low52.4Low168 Ų168153.1 Ų153.163%0.63479%0.791SS**  trans-67.4156.3148.2-69162.9175.9-146.5-2.6108.8E3 E7E3-R5 VanDerWaalsContact CD-N 3.3Å; E3-R5 HydrophobicContact CG-CG 4.49Å; E3-R5 WeakPolarHBondContact OE1-CD 3.2Å; E3-R5 WeakPolarHBondContact OE1-CG 3.14Å; E3-R5 IonicContact OE1-NE 3.27Å; E3-R5 PolarHBondContact OE1-NE 3.37Å; E3-R5 PolarHBondContact OE2-N 2.74Å; R5-E7 HydrophobicContact CB-CG 4.12Å; R5-E7 WeakPolarHBondContact CD-OE1 3.45Å; R5-E7 IonicContact CZ-OE1 3.81Å; R5-E7 IonicContact NH1-OE1 3.67Å; R5-E7 PolarHBondContact NH1-OE1 3.32Å
6Q58.6Low52Low200 Ų200148.2 Ų148.294%0.93579%0.79SS**  trans-129.5130.1142.7-158.915539.800107
7E58.4Low51.7Low133 Ų133145.5 Ų145.562%0.62178%0.78SS**  trans-91.6154.4-161.1-60.8-174.513700110.8R5R5-E7 HydrophobicContact CB-CG 4.12Å; R5-E7 WeakPolarHBondContact CD-OE1 3.45Å; R5-E7 IonicContact CZ-OE1 3.81Å; R5-E7 IonicContact NH1-OE1 3.67Å; R5-E7 PolarHBondContact NH1-OE1 3.32Å
8F46.9Very low51.4Low192 Ų192150.1 Ų150.184%0.84279%0.787SS**  trans-76.4122.516947.7-86.2000107.5
9E52.9Low51Low182 Ų182146 Ų14685%0.8579%0.785SS**  trans-112131.1168-165.1160-141.900108.3
10V52.8Low50.8Low121 Ų121147.4 Ų147.473%0.73379%0.791SS**  trans-125.294.9-171.7-178.50000107.6
11M59.8Low50.5Low149 Ų149144.2 Ų144.273%0.73479%0.793SS**  trans-164.7149.1177.8-116.393.4-177.300106.9
12E53.5Low50.5Low127 Ų127137.6 Ų137.659%0.59376%0.763SS**  cis-151.7154.2-16.8-160.374.4129.400107.6H14E12-H14 PolarHBondContact O-N 3.08Å
13D45.4Very low50.6Low155 Ų155142.7 Ų142.783%0.82976%0.76SS**  trans-82108-179.7-175.221.1000111.6
14H53.7Low49.9Very low160 Ų160145.5 Ų145.574%0.74177%0.77SS**  trans-131.7100.1-176.7-74.3-1.2000112.3E12E12-H14 PolarHBondContact O-N 3.08Å
15A46.3Very low49Very low107 Ų107146.8 Ų146.888%0.88477%0.77SS**  trans-69.2134.316700000111.2
16G45.1Very low48.8Very low75 Ų75147.3 Ų147.377%0.77378%0.78SS**  trans-149.6117.3176.900000110.9
17T47Very low47.9Very low102 Ų102140.3 Ų140.363%0.62676%0.761SS**  trans-91.7-171.4-174.240.60000112.7
18Y46.3Very low47Very low229 Ų229137.4 Ų137.490%0.89877%0.767SS**  trans80.3134.2172.1-35.8-65.9000115.3
19G44.4Very low46.5Very low72 Ų72137.1 Ų137.174%0.74276%0.762SS**  cis-157.6-1783.700000114.3
20L47.5Very low46.1Very low173 Ų173134.9 Ų134.991%0.90676%0.761SS**  trans-71.1154.2-170-80.563.2000114
21G44.6Very low45.6Very low82 Ų82135 Ų13585%0.84576%0.755SS**  trans-153.987174.100000112.8
22D45.8Very low44.8Very low106 Ų106133.8 Ų133.857%0.56775%0.747SS**  trans-47.5145.1-176-92.2-115.2000119.2
23R48.4Very low44.1Very low210 Ų210135 Ų13579%0.79275%0.753SS**  trans92.2144134.1-78.3164.7-146.5-17912.9124.1
24K44.3Very low43.9Very low189 Ų189132.2 Ų132.282%0.82274%0.738SS**  trans73.498.9153.3-75175.8175.9-172.40117.6
25D41.6Very low43.4Very low151 Ų151131.8 Ų131.881%0.80774%0.736SS**  70.2142.454.1-154.94000114.5
26Q42.3Very low43.1Very low178 Ų178133.5 Ų133.583%0.83273%0.726SS**  trans74.9142-163-53.9167.3105.500116
27G40Very low43Very low53 Ų53133.5 Ų133.555%0.54673%0.726SS.*  cis152.7109-10.700000115.3Y29G27-Y29 WeakPolarHBondContact O-CE2 3.31Å
28G39.1Very low43.1Very low73 Ų73135.5 Ų135.575%0.75373%0.733SS**  trans69.4-174.8158.300000118.8
29Y34.8Very low43.2Very low186 Ų186131.3 Ų131.373%0.72973%0.732SS**  cis-156.8161.2-9.2-44.6-96.4000110.4G27G27-Y29 WeakPolarHBondContact O-CE2 3.31Å
30T45.1Very low43.2Very low135 Ų135134.6 Ų134.683%0.82873%0.732SS**  trans61.6161.4149.856.10000121.1
31M43.7Very low43Very low123 Ų123130.9 Ų130.961%0.60673%0.726SS**  cis-162.8158.3-21.6-93.1-90.3-69.800110Y514M31-Y514 PolarHBondContact O-OH 3.27Å
32H42.1Very low43.2Very low124 Ų124130.6 Ų130.657%0.57472%0.723SS**  trans-10151.6155.4-55.6-133.2000121
33Q39.4Very low43.1Very low151 Ų151133.3 Ų133.371%0.70674%0.737SS**  -174.6127.9106.3-107.7174.5102.300116.7S516 P517Q33-S516 CarbonylContact C-O 2.83Å; Q33-S516 VanDerWaalsContact C-O 3.3Å; Q33-S516 PolarHBondContact N-O 3.15Å; Q33-S516 CarbonylContact O-C 3.35Å; Q33-S516 WeakPolarHBondContact O-CA 3.37Å; Q33-P517 VanDerWaalsContact C-N 3.26Å; Q33-P517 VanDerWaalsContact O-N 3.15Å
34D40.6Very low42.8Very low97 Ų97131.7 Ų131.752%0.51974%0.735SS.*  trans-135.2119.8-156.9-92-83.3000108.2P517 G518D34-P517 CarbonylContact C-O 3.3Å; D34-P517 WeakPolarHBondContact CA-O 3.28Å; D34-P517 HydrophobicContact CB-CB 2.32Å; D34-P517 HydrophobicContact CB-CG 2.31Å; D34-P517 WeakPolarHBondContact CB-O 3.47Å; D34-P517 VanDerWaalsContact N-N 3.19Å; D34-P517 WeakPolarHBondContact OD1-CA 3.23Å; D34-P517 WeakPolarHBondContact OD1-CB 3.32Å; D34-P517 WeakPolarHBondContact OD1-CG 3.28Å; D34-P517 VanDerWaalsContact OD2-CB 3.29Å; D34-P517 WeakPolarHBondContact OD2-CB 3.48Å; D34-P517 WeakPolarHBondContact OD2-CD 3.46Å; D34-P517 WeakPolarHBondContact OD2-CG 3.39Å; D34-G518 VanDerWaalsContact C-CA 3.48Å; D34-G518 VanDerWaalsContact CB-N 3.3Å
35Q43.7Very low42.6Very low151 Ų151129.5 Ų129.571%0.70673%0.728SS**  trans-144.4123.2178.6-82.5-163.9-38.700117.5P517 G518Q35-P517 VanDerWaalsContact N-C 3.34Å; Q35-P517 PolarHBondContact N-O 3.27Å; Q35-G518 VanDerWaalsContact N-CA 3.31Å
36E39.7Very low42.5Very low143 Ų143127.5 Ų127.567%0.66873%0.726SS**  56.3146.8127-60170.1-119.300125.1
37G43.2Very low42.6Very low75 Ų75124 Ų12477%0.77372%0.719SS**  trans122.393.4169.600000113.9
38D48.9Very low42.3Very low144 Ų144129 Ų12977%0.7773%0.732SS**  84.312160.3-174.239.6000115.7
39T48.1Very low42.4Very low142 Ų142134.9 Ų134.987%0.87174%0.74SS**  trans-170.3128.7135.47.70000111.8
40D43.8Very low42.5Very low141 Ų141132.1 Ų132.175%0.75474%0.742SS**  trans-94.8159.3-177.917347.5000114.1
41A44.9Very low42.8Very low95 Ų95131 Ų13179%0.78574%0.738SS**  trans176.1124139.800000112.2
42G46.9Very low43.1Very low75 Ų75131 Ų13177%0.77375%0.745SS**  trans174.92417200000121.4
43L43.9Very low43.3Very low164 Ų164133.3 Ų133.386%0.85976%0.756SS**  trans-67.6137.2-176.1-61.9170.3000114.5
44K42.6Very low43.7Very low175 Ų175133.5 Ų133.576%0.76176%0.762SS**  171.3121.5113.9-95.6171.1167.6-80.20117.1
45E39.8Very low44Very low143 Ų143131.9 Ų131.967%0.66877%0.768SS**  68.696.9115-153.7166.7-176.900121.7
46S39.3Very low44.3Very low110 Ų110129.6 Ų129.677%0.76977%0.768SS**  50.8162.4113.9-60.70000123.2
47P45.5Very low44.8Very low104 Ų104131.5 Ų131.568%0.67578%0.777SS**  cis-141.7175.3-32.539-21.1000115.8
48L33.9Very low45.3Very low158 Ų158135.9 Ų135.983%0.82778%0.777SS**  trans49.1116.9147.5-71.8165.2000122
49Q41.1Very low45.5Very low197 Ų197134 Ų13492%0.92177%0.773SS**  trans-162.4141.7130.4-111.8166.127.600113.1
50T36.5Very low45.2Very low127 Ų127130.9 Ų130.978%0.77977%0.769SS**  trans-124.5178.4172.652.30000107.5
51P50.6Low45Very low112 Ų112129.4 Ų129.473%0.72777%0.77SS**  cis-139.2-135.614.643.7-21.3000113.7
52T50Low45.1Very low123 Ų123133.2 Ų133.276%0.75577%0.772SS**  trans92.3127.8164.4-56.50000117.8
53E47.8Very low45Very low173 Ų173135.3 Ų135.381%0.80877%0.77SS**  cis-166.4162.9-23.5-103-135.8118.500111.4
54D47.2Very low44.9Very low155 Ų155133 Ų13383%0.82977%0.767SS**  trans62.8147.6150-16122.3000121.2
55G46.8Very low44.7Very low62 Ų62132.1 Ų132.164%0.63977%0.77SS**  trans167.415.4-17800000120.1
56S50.7Low44.7Very low103 Ų103129.4 Ų129.472%0.7277%0.773SS**  trans66.5121.8179.361.30000117.2
57E49.8Very low45Very low184 Ų184133.9 Ų133.986%0.8678%0.778SS**  84.6133.658.2-71.4-164.7165.600113.7
58E52.5Low44.5Very low166 Ų166133.7 Ų133.778%0.77678%0.779SS**  cis-154.8164.7-5.6-112.3-96111.600109.4
59P52.8Low44.9Very low105 Ų105132.6 Ų132.668%0.68278%0.779SS**  trans-107.6-173.7-169.241.6-32.1000114.5
60G41.9Very low45.4Very low76 Ų76128.2 Ų128.278%0.78477%0.768SS**  trans-157.2122.3169.200000111.4
61S40.4Very low45.6Very low111 Ų111128.4 Ų128.478%0.77677%0.77SS**  trans-104.3-162-178.7-63.40000111.3
62E46.3Very low45.5Very low175 Ų175126.6 Ų126.682%0.81876%0.764SS**  trans79.7145.3166.6-54.5-167.368.500116.8
63T45.5Very low45.9Very low119 Ų119129.3 Ų129.373%0.7377%0.768SS**  cis-149.5154.5-15.790000110
64S42.1Very low45.8Very low114 Ų114128.4 Ų128.480%0.79777%0.768SS**  trans-70.7131.3155.7-46.60000109.3
65D38.7Very low46Very low157 Ų157126.3 Ų126.384%0.8476%0.761SS**  trans-166.8156.8134.2-125.7-35.9000114
66A39Very low46.3Very low87 Ų87129.5 Ų129.572%0.71977%0.769SS**  trans-99.6126.5176.400000111.2
67K45.1Very low46.1Very low203 Ų203128.6 Ų128.688%0.88377%0.767SS**  trans-134.1124168.7-76.3-168.5176.7172.30114.4
68S35.2Very low46.2Very low100 Ų100125.2 Ų125.270%0.69976%0.761SS**  trans-74.2146.7178.5-37.60000113.4
69T42Very low45.8Very low135 Ų135124.4 Ų124.483%0.82876%0.762SS**  trans63170.4141.850.60000117.9
70P53.4Low45.4Very low105 Ų105124.9 Ų124.968%0.68276%0.762SS**  cis-134.8-175.88.437.3-16.5000117.3
71T39.5Very low45.4Very low132 Ų132127.9 Ų127.981%0.8176%0.76SS**  trans72.1145.3153.827.40000118.7
72A49.3Very low45.3Very low73 Ų73131.4 Ų131.460%0.60376%0.764SS**  cis-152.9-166.20.500000112.3
73E57.9Low45Very low181 Ų181126.9 Ų126.985%0.84677%0.765SS**  trans70.260.6168.7-45.4-4591.800118.6
74D46.1Very low44.8Very low153 Ų153125.8 Ų125.882%0.81877%0.768SS**  trans-19.8179.2144.3-169.529.1000121
75V50.5Low45Very low111 Ų111126 Ų12667%0.67377%0.766SS**  trans105.386.5155.9-165.50000117.7
76T53.4Low45.2Very low130 Ų130122.1 Ų122.180%0.79876%0.763SS**  trans87105.5133.9-55.50000120.3
77A46.2Very low45.8Very low84 Ų84126.3 Ų126.369%0.69477%0.765SS**  trans-84.8-166.5155.500000109.7
78P52.8Low45.6Very low113 Ų113125.1 Ų125.173%0.73476%0.763SS**  cis-143.3-161.8834.6-8.6000115.5
79L42.9Very low45.8Very low149 Ų149125.2 Ų125.278%0.7877%0.77SS**  trans99.793.9135.5-138.569.5000120
80V45.9Very low45.9Very low114 Ų114123.8 Ų123.869%0.69177%0.772SS**  80.7150.1124.4170.80000121.3
81D42.2Very low45.4Very low139 Ų139123.6 Ų123.674%0.74378%0.779SS**  trans69.5116163.3-793.2000123
82E36.4Very low45.6Very low185 Ų185126.2 Ų126.286%0.86478%0.782SS**  35.6110.3112.8-72.4-74.392.900118
83G40.5Very low45.2Very low80 Ų80126.7 Ų126.783%0.82578%0.779SS**  trans-170.562.2179.800000116.6
84A41.9Very low44.3Very low96 Ų96125.9 Ų125.979%0.79378%0.775SS**  trans-86-179.1162.200000110.7
85P46.2Very low43.8Very low119 Ų119123.7 Ų123.777%0.77377%0.767SS**  cis-132.1172.4-11.939.9-25000114.3
86G43.4Very low43.1Very low75 Ų75126.5 Ų126.577%0.77377%0.773SS**  trans-177.9146.6160.400000115.4
87K50.8Low42.7Very low176 Ų176127.1 Ų127.177%0.76577%0.77SS**  cis178.5123.6-31.2-115.6-176.4-177-174.50105.1
88Q41.1Very low42.7Very low177 Ų177128.5 Ų128.583%0.82777%0.772SS**  trans58.195.3147.7-57.5174.5-68.700121.1
89A39.8Very low42Very low102 Ų102132.1 Ų132.184%0.84378%0.779SS**  trans-169.7116.6130.200000108.5
90A43.1Very low41.7Very low106 Ų106128.8 Ų128.888%0.87678%0.781SS**  cis101.86848.600000113.7
91A44.3Very low41.2Very low100 Ų100130.1 Ų130.183%0.82679%0.789SS**  trans-158.4153.1152.700000109.9
92Q42.3Very low41.2Very low187 Ų187130.7 Ų130.787%0.87480%0.798SS**  trans-143.5177.1-176.6-82.8-140.4-6.500109.1
93P42.2Very low41.6Very low84 Ų84124.8 Ų124.855%0.54578%0.781SS.*  cis-133.5-1701.816.911000114.5
94H39.4Very low41.9Very low163 Ų163124 Ų12476%0.75576%0.756SS**  trans77.8145.1158.8-55.3-58.9000119.5
95T35.7Very low42Very low108 Ų108123.2 Ų123.266%0.66374%0.736SS**  cis168110.8-45.436.10000107.4
96E34.3Very low41.8Very low169 Ų169121 Ų12179%0.7973%0.727SS**  trans76.8132131-98.8-171.913300124.7
97I46.2Very low41.7Very low143 Ų143121 Ų12173%0.73373%0.727SS**  trans67.3168.3151.810.3-178.2000119.8
98P45.2Very low41.3Very low114 Ų114121.1 Ų121.174%0.7474%0.735SS**  -132.7-152.9-11048.5-30000114.6
99E38.4Very low41.6Very low188 Ų188115.6 Ų115.688%0.87973%0.726SS**SBendtrans-57.1145.2173.3-55.7178.7116.900114.7
100G35.7Very low42Very low79 Ų79118.5 Ų118.581%0.81473%0.727SS**  trans70.682.914100000118.8
101T37Very low42.1Very low142 Ų142119.7 Ų119.787%0.87172%0.724SS**  trans-124.4112.2159.6450000111.9
102T42.4Very low42.9Very low151 Ų151121.3 Ų121.393%0.92673%0.726SS**  trans-119.6118.4166.149.20000108.3
103A44.7Very low42.8Very low61 Ų61117.6 Ų117.650%0.50472%0.72SS.*  trans-150.9136.5-171.200000112K687A103-K687 PolarHBondContact O-NZ 3Å
104E46Very low43.4Very low65 Ų65121.3 Ų121.330%0.30474%0.735SS.*  trans53.1155.2141.1-49.1-49.981.500119.1K687 T690 H691E104-K687 WeakPolarHBondContact O-CD 3.4Å; E104-K687 PolarHBondContact O-NZ 2.99Å; E104-T690 WeakPolarHBondContact OE1-CA 3.17Å; E104-T690 PolarHBondContact OE1-N 2.89Å; E104-H691 IonicContact OE2-CE1 3.87Å; E104-H691 IonicContact OE2-CG 3.38Å; E104-H691 PolarHBondContact OE2-N 3.37Å; E104-H691 IonicContact OE2-ND1 3.78Å; E104-H691 PolarHBondContact OE2-ND1 2.79Å
105E43.2Very low44.4Very low78 Ų78121.9 Ų121.936%0.36474%0.737SS.*  135.270.550.3-87.7168.8141.200112.7E689 T690 H691E105-E689 HydrophobicContact CB-CB 3.69Å; E105-E689 HydrophobicContact CB-CG 4.48Å; E105-E689 HydrophobicContact CG-CB 3.43Å; E105-E689 VanDerWaalsContact CG-CB 3.43Å; E105-E689 HydrophobicContact CG-CG 4.29Å; E105-E689 PolarHBondContact N-OE1 3.12Å; E105-E689 WeakPolarHBondContact OE2-CB 3.45Å; E105-T690 PolarHBondContact OE2-N 2.65Å; E105-H691 VanDerWaalsContact CB-CE1 3.44Å; E105-H691 WeakPolarHBondContact CB-CE1 3.12Å; E105-H691 IonicContact OE1-CD2 3.18Å; E105-H691 PolarHBondContact OE1-CD2 3.36Å; E105-H691 IonicContact OE1-CG 2.9Å; E105-H691 IonicContact OE1-NE2 2.78Å; E105-H691 IonicContact OE2-CD2 2.78Å; E105-H691 IonicContact OE2-CE1 2.67Å; E105-H691 IonicContact OE2-CG 2.69Å; E105-H691 VanDerWaalsContact OE2-CG 3.26Å; E105-H691 PolarHBondContact OE2-N 3.21Å; E105-H691 IonicContact OE2-ND1 3.97Å; E105-H691 PolarHBondContact OE2-ND1 2.89Å
106A42.5Very low45.3Very low73 Ų73124 Ų12460%0.60375%0.745SS**  trans82.2157.3157.100000119.4E689A106-E689 PolarHBondContact N-OE2 2.93Å
107G42Very low46.6Very low75 Ų75124.1 Ų124.177%0.77375%0.745SS**  trans176.957.6-179.700000113.4
108I42.6Very low46.6Very low178 Ų178121.4 Ų121.491%0.91375%0.745SS**  trans-71.4136177.5-39.6173.6000109.5
109G45.9Very low46.9Very low62 Ų62121.3 Ų121.364%0.63975%0.753SS**  trans-151.4113.3-178.500000115.4
110D49.5Very low47.2Very low162 Ų162115.8 Ų115.887%0.86675%0.747SS**  trans55.398.2145.5-53.6-21.9000121.5
111T43.7Very low47.5Very low132 Ų132120.1 Ų120.181%0.8175%0.746SS**  trans-89.7129.1149.651.30000111
112P61.5Low48.1Very low134 Ų134119.2 Ų119.287%0.8774%0.74SS**  trans-85.8123.4162.731.9-29.5000110.8
113S40.2Very low47.8Very low109 Ų109117.5 Ų117.576%0.76273%0.729SS**  trans-108.8129.9179.859.70000113
114L55.9Low47.6Very low162 Ų162123.4 Ų123.485%0.84875%0.746SS**  trans-157.8144.7171.9-85.1176.9000104.4
115E59.7Low47Very low174 Ų174128.1 Ų128.181%0.81377%0.768SS**  cis-146.1121.311.6-51.1169.9145.100104.7
116D55.2Low47Very low153 Ų153129.5 Ų129.582%0.81878%0.784SS**  73.5153.876.1-147.45.1000116.6
117E60.8Low46.7Very low171 Ų171134.5 Ų134.580%0.79980%0.795SS**  trans69.1143.1-178.3-59-86.6144.800117.5
118A47.4Very low46.7Very low87 Ų87137.2 Ų137.272%0.71980%0.802SS**  cis-162.4167.6-20.500000112.5
119A50.2Low46.6Very low111 Ų111131.8 Ų131.892%0.91779%0.791SS**  trans-63.2169.8-163.800000121.5
120G45.4Very low46.4Very low73 Ų73138.4 Ų138.475%0.75380%0.802SS**  trans130.793.1162.500000113.7
121H41.4Very low45.8Very low169 Ų169137.1 Ų137.178%0.78280%0.799SS**  cis59.1103.849.5-176.4-79.8000115.8
122V50.1Low45.5Very low123 Ų123136.7 Ų136.775%0.74580%0.796SS**  -164.4141.4129.6137.20000109.8
123T36.9Very low44.2Very low116 Ų116137.9 Ų137.971%0.71279%0.79SS**  trans-113137.8178.4-59.20000110.5
124Q39.3Very low43.9Very low184 Ų184140.8 Ų140.886%0.8679%0.792SS**  trans-161.7109.6156.8-126.5157.189.100115.3
125E34.4Very low43Very low164 Ų164136.2 Ų136.277%0.76678%0.784SS**  trans-89.4157.2143.8-81.8-73.6155.300106.7
126P42.8Very low41.9Very low107 Ų107137.2 Ų137.270%0.69579%0.786SS**  -160.4176.163.744-22.1000120.2
127E36.8Very low41Very low178 Ų178137 Ų13783%0.83278%0.784SS**  trans35.7116.3144.3-70.8-163.99500123.1
128S40.7Very low39.8Very low132 Ų132139.9 Ų139.992%0.92379%0.787SS**  -177148.1123-81.70000110.2
129G41.3Very low39.8Very low65 Ų65143.4 Ų143.467%0.6779%0.789SS**  cis154.2143.3-3.400000110.7
130K42.4Very low40Very low201 Ų201143.9 Ų143.987%0.87478%0.783SS**  trans72.6108.3-176.9-49.6177.2-176179.80114.4
131V36.7Very low40.1Very low134 Ų134143.4 Ų143.481%0.81278%0.777SS**  cis73.210832.8-170.70000114.3
132V36.3Very low40.6Very low124 Ų124141.4 Ų141.475%0.75278%0.78SS**  trans87.5128.4148160.30000121.8
133Q35.4Very low40.3Very low159 Ų159141.7 Ų141.774%0.74378%0.784SS**  trans115.9138.6140.8-117.4162.5-12.700122.7
134E34.1Very low40.4Very low169 Ų169139.5 Ų139.579%0.7978%0.784SS**  trans-45.5153.5179.4-56.415487.400116.3
135G36.6Very low40.5Very low66 Ų66138.8 Ų138.868%0.6879%0.785SS**  trans150.4111.9148.100000116.9
136F36.4Very low40.9Very low195 Ų195136.8 Ų136.886%0.85579%0.789SS**  trans47.2109.7142.6-80.8-99.2000120.7
137L36.1Very low40.7Very low148 Ų148140.5 Ų140.578%0.77580%0.797SS**  59.6107.2114.7-168.6163.6000117.7
138R35.7Very low40.8Very low232 Ų232140.2 Ų140.288%0.87580%0.796SS**  -174.6120.9122.8-166.2161.4-178.2175.9-1.3114.1
139E46.3Very low40.3Very low162 Ų162141.1 Ų141.176%0.75779%0.789SS**  trans-85.6156.1166-95.5-74.5152.100112.2G141E139-G141 PolarHBondContact OE2-N 3.33Å
140P55.2Low40.1Very low121 Ų121145.3 Ų145.379%0.78679%0.793SS**  -141.5119.2122.333.6-17.8000112.5
141G46.9Very low39.9Very low62 Ų62141.2 Ų141.264%0.63979%0.79SS**  94.8171.475.800000113E139E139-G141 PolarHBondContact OE2-N 3.33Å
142P53.2Low39.9Very low128 Ų128138.2 Ų138.283%0.83179%0.787SS**  cis-124.2175.5-4.241.9-27.5000114.8
143P42.6Very low40.6Very low129 Ų129141.3 Ų141.384%0.83880%0.795SS**  trans-115.5170-175.841.6-33.2000116.4
144G40Very low41.3Very low69 Ų69139.6 Ų139.671%0.71180%0.798SS**  trans161.7107163.700000111.5
145L42Very low41.6Very low169 Ų169135.4 Ų135.489%0.88580%0.8SS**  66.895.959.2-60.6-179.3000115.3
146S40.9Very low42.2Very low122 Ų122136.9 Ų136.985%0.85381%0.806SS**  178165.6123.845.40000112.3
147H38.6Very low42.7Very low185 Ų185132.7 Ų132.786%0.85680%0.798SS**  trans-94.6-178.2-168.7-59.9177.4000113.8
148Q39.2Very low42.9Very low172 Ų172133.6 Ų133.680%0.80480%0.803SS**  trans83.3133.6177.9-48.9-156.9103.100113.5
149L31.1Very low43.3Very low151 Ų151130.2 Ų130.279%0.79180%0.801SS**  cis72.6141.237.2-155.883.8000112.5
150M37.5Very low43.5Very low153 Ų153127.4 Ų127.475%0.75480%0.797SS**  trans71.399.5177.8-6217859.900117.2
151S38.2Very low42.9Very low115 Ų115130.5 Ų130.580%0.80480%0.801SS**  19.5124.1127.758.10000119.9
152G36.6Very low42.6Very low72 Ų72130.3 Ų130.374%0.74280%0.799SS**  trans172.1108.8158.100000114.1
153M50.4Low42.5Very low189 Ų189129.3 Ų129.393%0.93179%0.793SS**  trans-87.7130.4166.2-63.1-103.674.700109.5
154P49.3Very low42.7Very low122 Ų122133.7 Ų133.779%0.79279%0.793SS**  trans-102.1159.416336.9-30.4000111.6
155G41.4Very low42.7Very low82 Ų82138.6 Ų138.685%0.84580%0.797SS**  trans117.762.2166.800000116.8
156A49.4Very low42.7Very low96 Ų96134.4 Ų134.479%0.79379%0.786SS**  trans-82.7-174.2157.500000109.5
157P47.1Very low42.6Very low107 Ų107135.2 Ų135.270%0.69579%0.786SS**  cis-136.2178.3-2.338-18.4000115.1
158L39.8Very low42.6Very low168 Ų168136.9 Ų136.988%0.8879%0.785SS**  177.4154.7114.5-89.3169.4000111.4
159L43.7Very low42.4Very low160 Ų160136.5 Ų136.584%0.83878%0.783SS**  trans-117.8172.3-175.2-71.1176.7000109.7
160P51.3Low43.4Very low103 Ų103135.2 Ų135.267%0.66978%0.784SS**  cis-123.6-149.715.433.2-8.4000112.1
161E41.5Very low43.8Very low186 Ų186133.6 Ų133.687%0.86979%0.788SS**  cis-159.5-153.210.3-153.5139.7-122.100113
162G39.9Very low43.9Very low58 Ų58131 Ų13160%0.59878%0.779SS**  trans-162.8-147.217500000111
163P52.3Low44.4Very low107 Ų107135 Ų13570%0.69579%0.789SS**  cis-141.6170.9-18.442.8-26.7000115.4
164R45.6Very low44.3Very low222 Ų222129.5 Ų129.584%0.83878%0.781SS**  trans67.1171.5158.6-62.1156.4-165-171.43.8115.8
165E40.7Very low44.7Very low171 Ų171129.5 Ų129.580%0.79978%0.781SS**  cis-156.3169.57.4-146.1166.7110.100114.4
166A41.6Very low44.9Very low81 Ų81134.5 Ų134.567%0.66978%0.783SS**  trans76.6134.6142.400000126.3
167T39.7Very low44.8Very low139 Ų139136.9 Ų136.985%0.85378%0.782SS**  trans88.8146.9142.6-54.40000122.6
168R38.6Very low44.9Very low221 Ų221137.2 Ų137.283%0.83478%0.782SS**  trans-151.8-179-174.4-102.1-175172.5-113.32.7110.7
169Q34.1Very low45.1Very low163 Ų163138 Ų13876%0.76278%0.781SS**  trans81.3158.5178.5-49.3-62.34.500113.7
170P51.9Low45Very low125 Ų125134 Ų13481%0.81278%0.779SS**  cis-97.1-179.525.341-36.9000114.7
171S46.8Very low44.4Very low118 Ų118132.4 Ų132.483%0.82578%0.781SS**  cis-146.918029.657.50000115.4
172G40.4Very low44.4Very low60 Ų60134.7 Ų134.762%0.61978%0.782SS**  trans-158-167.2-178.100000115.2
173T47.3Very low44.3Very low157 Ų157139.9 Ų139.996%0.96379%0.79SS**  trans70.5141.5-161.973.10000113.5
174G46.9Very low43.6Very low73 Ų73139 Ų13975%0.75379%0.791SS**  cis-157.1172.2-700000111
175P58.7Low43.9Very low123 Ų123133.7 Ų133.780%0.79979%0.786SS**  trans-111.3-164.9-158.841.9-34.4000116.7
176E45.4Very low43.7Very low187 Ų187133.1 Ų133.187%0.87478%0.783SS**  trans81.5130.3175.6-59.9-179.3147.900115.9
177D48.3Very low43.6Very low146 Ų146135.9 Ų135.978%0.78179%0.786SS**  cis-153.7-152-11.8-163.334.1000108.7
178T48.6Very low43.7Very low113 Ų113134.8 Ų134.869%0.69377%0.774SS**  cis-163.5-169.78-158.20000113.7
179E43Very low43.8Very low185 Ų185132.6 Ų132.686%0.86477%0.771SS**  trans-56.6153.7174.6-89.9178.385.600114.5
180G41.7Very low44.3Very low77 Ų77131.6 Ų131.679%0.79477%0.766SS**  cis135.3165.540.300000107.4
181G38.7Very low43.9Very low69 Ų69134.3 Ų134.371%0.71177%0.768SS**  cis179.6120.5-1300000114.1
182R42.2Very low43.6Very low234 Ų234136.1 Ų136.188%0.88377%0.767SS**  trans63.5155.2150.5-54.2178-170.8-95.1-1123.1
183H37.2Very low43.4Very low166 Ų166141.2 Ų141.277%0.76978%0.779SS**  trans111.595.4148.7-61.3-74.9000121
184A38.4Very low43.1Very low88 Ų88136.4 Ų136.473%0.72776%0.762SS**  41.4160.2112.200000122.9
185P50.7Low42.7Very low111 Ų111141 Ų14172%0.72177%0.769SS**  cis-146-176.4-3339.8-20.6000116.4
186E37.2Very low41.7Very low159 Ų159142.1 Ų142.174%0.74377%0.767SS**  trans73.4158.3140.7-84.5-92.894.800123.8
187L39.8Very low41.6Very low139 Ų139140.5 Ų140.573%0.72876%0.76SS**  trans73154.6166-50.1-171.5000120.5
188L41.9Very low41.2Very low116 Ų116143.3 Ų143.361%0.60777%0.768SS**  cis-169.7160.7-45.9-143.8144.8000108.6
189K40.2Very low40.8Very low175 Ų175146.1 Ų146.176%0.76177%0.773SS**  trans79.6157164.9-46.9-178.8-175.2175.20117.4
190H44.4Very low40.5Very low143 Ų143140 Ų14066%0.66276%0.76SS**  cis-171.6160.1-35.7-91.6-37.1000109.6
191Q44Very low40.6Very low181 Ų181141.7 Ų141.785%0.84676%0.756SS**  trans72.6134.9169.1-61.7150.7128.200115.8
192L39.8Very low41.2Very low156 Ų156144.7 Ų144.782%0.81776%0.764SS**  cis79.997.721.1-161.5159.3000115
193L37.9Very low41.3Very low167 Ų167141.6 Ų141.687%0.87476%0.763SS**  -163.5160.2116.9-16752.7000109.3
194G40.2Very low41.6Very low57 Ų57143.9 Ų143.959%0.58877%0.771SS**  trans-100169.8-165.800000117.2
195D38Very low41.8Very low169 Ų169143.3 Ų143.390%0.90477%0.774SS**  trans75.6148.1143.1-63.1-46.4000123.7
196L39Very low41.2Very low146 Ų146143.4 Ų143.476%0.76478%0.784SS**  trans87.9146.5159.5-143.962.6000118.7
197H42Very low41.2Very low154 Ų154139.8 Ų139.871%0.71379%0.789SS**  trans66.799.6177.7-52.2-80.6000117.8
198Q39.9Very low41.2Very low205 Ų205136.9 Ų136.996%0.95879%0.793SS**  trans-129102.9145.5-86.2-74.185.500107.6
199E40.2Very low41.5Very low172 Ų172139.4 Ų139.480%0.80480%0.799SS**  trans-142145.7-173.2-147-61.397.200107.2
200G36.2Very low41.5Very low56 Ų56138.1 Ų138.158%0.57780%0.796SS**  trans78.8122.3172.200000118.2
201P43.7Very low41.3Very low112 Ų112142.2 Ų142.273%0.72781%0.805SS**PPolyproline II helixtrans-95.7164169.237.5-34000113.3
202P52.1Low41.2Very low133 Ų133139.1 Ų139.186%0.86480%0.801SS**PPolyproline II helixtrans-77.9125.5178.930.4-34.3000113.5
203L43.7Very low41.1Very low168 Ų168134.7 Ų134.788%0.8879%0.793SS**PPolyproline II helixtrans-91.4131.8178.8-71.9168000113.8
204K45.4Very low41Very low214 Ų214132.1 Ų132.193%0.9379%0.789SS**  trans-152.7132.8153.4-71.9-171.2179.3177.30108.7
205G40.8Very low41.4Very low76 Ų76137 Ų13778%0.78479%0.794SS**  cis-178.8151.8-9.600000111.6
206A39.9Very low41.6Very low114 Ų114137.2 Ų137.294%0.94279%0.789SS**  trans17.2133.4167.600000121.9
207G36.6Very low41.8Very low82 Ų82138.3 Ų138.385%0.84579%0.791SS**  trans-161.3-19.3174.700000121.4
208G39.1Very low42.5Very low78 Ų78136.3 Ų136.380%0.80479%0.789SS**  trans72.4-175.9-175.700000114.3
209K47.6Very low43.2Very low169 Ų169133.9 Ų133.974%0.73578%0.783SS**  cis-165.2152.6-8.3-147.7168.8170.3-90.60108.8
210E41.1Very low44.2Very low148 Ų148131.2 Ų131.269%0.69277%0.77SS**  trans59.2125.7173.7-72.7121.3-135.100117.1
211R40.2Very low45.2Very low230 Ų230135.9 Ų135.987%0.86878%0.782SS**  cis69.8135.544.2-157.4-151.6169.796.31.6113.7
212P42.5Very low46.1Very low116 Ų116138.6 Ų138.675%0.75378%0.778SS**  cis-127.4-167.5-45.740.9-25.5000111.7
213G36.5Very low46.4Very low63 Ų63140.1 Ų140.165%0.64978%0.779SS**  trans159.5108.714800000121.8
214S37.1Very low47.2Very low112 Ų112138.1 Ų138.178%0.78377%0.773SS**  trans73.6154.2139.374.40000122.5
215K48.4Very low47Very low159 Ų159135.3 Ų135.369%0.69177%0.768SS**  trans74.4120169.3-56.5-172175.5-159.90115.9E217K215-E217 IonicContact NZ-OE1 2.82Å
216E41.4Very low48.1Very low174 Ų174140.6 Ų140.681%0.81377%0.772SS**  cis59.488.58.5-166.7-176.7-168.600114.6
217E43.8Very low48.4Very low169 Ų169139.6 Ų139.679%0.7976%0.758SS**  trans-127.8124.2147.1-76.8178.6158.500106K215K215-E217 IonicContact NZ-OE1 2.82Å
218V57.1Low48.6Very low112 Ų112141.2 Ų141.268%0.67976%0.757SS**  trans-104129.1177.71680000107.5E220V218-E220 HydrophobicContact CG1-CG 4.02Å; V218-E220 PolarHBondContact O-N 3.19Å
219D54.2Low49Very low155 Ų155142.5 Ų142.583%0.82975%0.751SS**  trans-91.394.4-175.4-153.732.4000109.1
220E60.8Low48.6Very low116 Ų116142.8 Ų142.854%0.54276%0.755SS.*  trans-123.976.4175.9-79-160.4138.500111.3V218 R222V218-E220 HydrophobicContact CG1-CG 4.02Å; V218-E220 PolarHBondContact O-N 3.19Å; E220-R222 PolarHBondContact O-N 3.48Å; E220-R222 IonicContact OE1-CZ 3.26Å; E220-R222 IonicContact OE1-NH1 3.88Å; E220-R222 PolarHBondContact OE1-NH1 3.34Å; E220-R222 IonicContact OE1-NH2 3.67Å; E220-R222 PolarHBondContact OE1-NH2 3.27Å; E220-R222 IonicContact OE2-CZ 3.74Å; E220-R222 IonicContact OE2-NH1 3.32Å; E220-R222 PolarHBondContact OE2-NH1 3.26Å
221D58.4Low48.6Very low153 Ų153142.1 Ų142.182%0.81876%0.756SS**  trans-61.698.4159.9-82.3-26.6000109.3
222R62.5Low48.6Very low169 Ų169135.7 Ų135.764%0.63875%0.746SS**  trans-117.486.4166.1-71.8-156-178.286.113.6110.6E220 V224E220-R222 PolarHBondContact O-N 3.48Å; E220-R222 IonicContact OE1-CZ 3.26Å; E220-R222 IonicContact OE1-NH1 3.88Å; E220-R222 PolarHBondContact OE1-NH1 3.34Å; E220-R222 IonicContact OE1-NH2 3.67Å; E220-R222 PolarHBondContact OE1-NH2 3.27Å; E220-R222 IonicContact OE2-CZ 3.74Å; E220-R222 IonicContact OE2-NH1 3.32Å; E220-R222 PolarHBondContact OE2-NH1 3.26Å; R222-V224 HydrophobicContact CB-CG2 4.26Å; R222-V224 PolarHBondContact O-N 3.48Å
223D58Low48.7Very low166 Ų166135.8 Ų135.889%0.88875%0.747SS**  trans-62.3120.6158.3-74.6-48.2000109.2
224V59.5Low49.3Very low125 Ų125138.3 Ų138.376%0.75875%0.752SS**  trans-13383.8175.8-168.60000108.8R222R222-V224 HydrophobicContact CB-CG2 4.26Å; R222-V224 PolarHBondContact O-N 3.48Å
225D42.4Very low49.5Very low156 Ų156138.1 Ų138.183%0.83475%0.751SS**  trans-108.7103.2169.1-164.6107.3000108.6
226E62.8Low49.2Very low186 Ų186140 Ų14087%0.86976%0.759SS**  trans-140132.9171.9-163.7-176.2125.700109
227S45.7Very low49.2Very low93 Ų93136.7 Ų136.765%0.6576%0.761SS**  trans-136.5108.7-168.8-80.80000114
228S41.5Very low48.9Very low116 Ų116134.1 Ų134.181%0.81176%0.762SS**  trans67.7177.3155.3-46.80000116.4
229P47.8Very low48.6Very low105 Ų105134.7 Ų134.768%0.68277%0.768SS**  cis-131.7-171.1-10.725.4-0.7000114.9
230Q39.3Very low48.1Very low176 Ų176131.6 Ų131.682%0.82276%0.764SS**  trans78.5158162.1-38.6-166.7-18.300116.7
231D41.3Very low47.4Very low133 Ų133134.3 Ų134.371%0.71178%0.777SS**  cis-146.7157.5-0.2-164.127.6000114.8
232S40.3Very low46.7Very low95 Ų95133.8 Ų133.866%0.66477%0.774SS**  trans53.3154.5152.4-73.30000125.5
233P45.1Very low45.6Very low118 Ų118129.1 Ų129.177%0.76678%0.779SS**  trans-130-149.2-173.635.1-10000113.2
234P49Very low44.9Very low116 Ų116133.1 Ų133.175%0.75378%0.781SS**  -120.5177.1-70.936.6-22.1000113.5
235S39.7Very low44.1Very low109 Ų109131.8 Ų131.876%0.76278%0.775SS**  trans-162.6145.1165.2-102.80000119.2
236K42.5Very low44.1Very low199 Ų199130.2 Ų130.287%0.86577%0.773SS**  trans64.3105.9152.1-63.9173.8-176.4175.60121.1
237A41.4Very low43.2Very low103 Ų103130.3 Ų130.385%0.85177%0.774SS**  -165.1147.4109.200000111.5
238S38.4Very low42.7Very low115 Ų115132.1 Ų132.180%0.80478%0.781SS**  trans-139.4-169.4-177.8-43.70000108.5
239P51.1Low42.6Very low125 Ų125131 Ų13181%0.81278%0.779SS**  cis-134.8177.9-1241.8-25.7000114.7
240A42.4Very low42.2Very low90 Ų90130.2 Ų130.274%0.74478%0.782SS**  trans177.1121.6131.400000113.3
241Q46.6Very low42.2Very low173 Ų173132.5 Ų132.581%0.80878%0.783SS**  trans31.4141.9137-65.8-171.7-106.600122.1
242D43.9Very low41.9Very low141 Ų141133.3 Ų133.375%0.75478%0.782SS**  cis-144.6166.914.7-97.9-35000114.3
243G38.7Very low41.8Very low72 Ų72132.4 Ų132.474%0.74278%0.781SS**  trans-92.6-178.417200000113.9
244R43.7Very low41.5Very low250 Ų250132.7 Ų132.794%0.94378%0.78SS**  cis-156.417939.3-117-156.8161.2-160.3-2.8112.2
245P42.8Very low40.9Very low97 Ų97131.8 Ų131.863%0.6378%0.777SS**  trans-105.5171-156.441.7-39.9000116.9
246P42.4Very low41.3Very low122 Ų122134.1 Ų134.179%0.79278%0.779SS**  trans-82.2158.9166.535.2-35.5000113.1
247Q43.8Very low41.4Very low188 Ų188130.7 Ų130.788%0.87978%0.777SS**  trans-120157.7166.3-75.4-168.27.300112.4
248T36Very low41.3Very low131 Ų131129.1 Ų129.180%0.80477%0.771SS**  trans-53.3136.8-172.743.10000118.4
249A38.9Very low41.3Very low92 Ų92133.6 Ų133.676%0.7678%0.776SS**  84.7120.6124.100000123
250A39.7Very low41.3Very low90 Ų90133.1 Ų133.174%0.74477%0.773SS**  85.2138.1129.200000121.8
251R39Very low41.3Very low224 Ų224133 Ų13385%0.84577%0.772SS**  trans69.7147.7156.2-79-174.5153.8144.9-0.3118.2
252E34.1Very low41.1Very low149 Ų149134.2 Ų134.270%0.69678%0.778SS**  cis-159.1160.7-20.7-145.7172.98900109.7
253A38.8Very low41.1Very low77 Ų77130.8 Ų130.864%0.63678%0.776SS**  trans54.4137.9151.200000123.6
254T38.8Very low41.2Very low124 Ų124132.5 Ų132.576%0.76178%0.783SS**  127120.9127.7-45.10000117.5
255S36.1Very low41.2Very low97 Ų97127.7 Ų127.768%0.67877%0.774SS**  trans53.2132.8156.269.30000121.2
256I48Very low41.7Very low158 Ų158128.9 Ų128.981%0.8178%0.782SS**  cis68.614139.1-54.3171.4000112
257P44.7Very low41.8Very low126 Ų126130.2 Ų130.282%0.81878%0.782SS**  cis-126.4-171.4-4.134.5-14.5000115
258G38.3Very low42.5Very low70 Ų70127.1 Ų127.172%0.72278%0.778SS**  trans167.4100.5158.100000117.8
259F39.1Very low42.9Very low210 Ų210126.3 Ų126.392%0.92177%0.773SS**  trans-107.9-176.4167.4-82-76.4000109.3
260P50.8Low43.3Very low115 Ų115128.3 Ų128.375%0.74777%0.771SS**  cis-148-162.217.345.7-24.1000117.7
261A43.3Very low43.5Very low88 Ų88134.2 Ų134.273%0.72778%0.78SS**  trans74.7153.7153.300000119.7
262E41.4Very low43.7Very low197 Ų197130.9 Ų130.992%0.92178%0.778SS**  cis-172.1149.2-24.2175.5170.9-171.300108.2
263G44.3Very low44.1Very low70 Ų70128.3 Ų128.372%0.72278%0.777SS**  trans156.593.8166.100000120.9
264A41.2Very low44.3Very low108 Ų108133.4 Ų133.489%0.89379%0.785SS**  trans55.7155.5142.900000123.8
265I44.2Very low44.3Very low148 Ų148133.7 Ų133.776%0.75979%0.786SS**  trans-111.6164.2-176.8-25.7176.5000110.3
266P51.8Low44.4Very low122 Ų122132.8 Ų132.879%0.79278%0.779SS**  -147.2165.4106.138.2-23.1000116.4
267L46Very low43.9Very low151 Ų151131.7 Ų131.779%0.79178%0.78SS**  trans-135.2146.1170.4-69176.7000111.3
268P58.7Low43.7Very low122 Ų122133.3 Ų133.379%0.79278%0.777SS**  trans-126.4137.9142.635.2-24.6000110.6
269V43.8Very low43.8Very low115 Ų115137.3 Ų137.370%0.69778%0.78SS**  cis85.5109.928.5-173.30000114.2
270D46.3Very low44.2Very low133 Ų133133.2 Ų133.271%0.71177%0.774SS**  trans57.5132.9158.4-58.5-13.7000122.2
271F44.1Very low43.6Very low215 Ų215132 Ų13294%0.94377%0.774SS**  -161.5148.299.4-108.6-78.3000112
272L44.3Very low43.6Very low154 Ų154132.8 Ų132.881%0.80677%0.774SS**  trans-101.4168-172.5-70.1165.9000113.5
273S41.6Very low43.6Very low95 Ų95132.2 Ų132.266%0.66477%0.772SS**  trans93.1154.1159.9-53.70000118.1
274K43Very low43.9Very low184 Ų184133.3 Ų133.380%0.877%0.766SS**  cis-173.3-179.5-16.4-99.2167.3-166.5173.50107.9
275V38.7Very low43.9Very low130 Ų130136 Ų13679%0.78877%0.766SS**  trans95.4131.1149.6-167.90000119.9
276S39.3Very low43.8Very low77 Ų77132.1 Ų132.154%0.53876%0.762SS.*  trans49.1144.9160.1-70.40000122.3E278S276-E278 WeakPolarHBondContact CB-OE2 3.42Å; S276-E278 PolarHBondContact OG-OE2 2.93Å
277T37.6Very low43.3Very low136 Ų136132.8 Ų132.883%0.83477%0.766SS**  cis77.6910.4-43.20000119.7
278E39.2Very low42.8Very low160 Ų160131.3 Ų131.375%0.74877%0.769SS**  trans-173.4143.1173.2-97.9136.572.600108.7S276S276-E278 WeakPolarHBondContact CB-OE2 3.42Å; S276-E278 PolarHBondContact OG-OE2 2.93Å
279I41.6Very low42Very low153 Ų153132.4 Ų132.479%0.78577%0.773SS**  cis-150.3145.8-14.5-53.7-178.1000108.4
280P47.2Very low41.6Very low124 Ų124130.6 Ų130.681%0.80578%0.777SS**  trans-109.8171.4177.440.9-34.4000116.5
281A39Very low41.1Very low89 Ų89136.2 Ų136.274%0.73679%0.788SS**  trans-160110.3168.100000110.3
282S43.1Very low40.8Very low105 Ų105130.3 Ų130.373%0.73478%0.779SS**  74107.781.670.40000114.6
283E41.1Very low40.4Very low185 Ų185133.4 Ų133.486%0.86479%0.786SS**  80.8158.369.5-92-151123.300115.3
284P51.2Low40.2Very low94 Ų94132.1 Ų132.161%0.6179%0.787SS**  cis-136.7-152.6-13.537.7-16.2000113.9
285D39.4Very low39.7Very low165 Ų165133.1 Ų133.188%0.88280%0.795SS**  trans68.2140.8168.6-70-29.8000119.4
286G43.4Very low39.9Very low65 Ų65134.3 Ų134.367%0.6780%0.797SS**  cis-175146.6-6.700000111.3
287P39.7Very low40.2Very low136 Ų136134.3 Ų134.388%0.88380%0.802SS**  trans-101.6147.3-162.137-35.1000116.3
288S36Very low40.7Very low121 Ų121133.1 Ų133.185%0.84680%0.796SS**  trans-153.6141.5161.6-168.40000115.6
289V41.8Very low41.2Very low145 Ų145134 Ų13488%0.87981%0.805SS**  trans-62.9145177.3178.90000113
290G36.5Very low41.1Very low76 Ų76134.3 Ų134.378%0.78480%0.803SS**  trans-173.448.7179.500000120.8A292G290-A292 PolarHBondContact O-N 2.77Å
291R34.6Very low41Very low251 Ų251138 Ų13895%0.94781%0.807SS**  trans-47.5118175.5172-156.6-174.2-1714.9116
292A38.5Very low41.5Very low91 Ų91138.3 Ų138.375%0.75280%0.8SS**  trans-171.9131.4143.400000116.7G290G290-A292 PolarHBondContact O-N 2.77Å
293K36.4Very low41.9Very low220 Ų220141.2 Ų141.296%0.95780%0.8SS**  trans35.9131.4150.8-71.1-173.5172.7-175.40123.1
294G36.8Very low42.3Very low67 Ų67140.7 Ų140.769%0.69180%0.797SS**  trans130.792.3167.800000109.3
295Q32.8Very low42.6Very low206 Ų206140.4 Ų140.496%0.96379%0.793SS**  55.67573.8-69.8-162.9-89.500114.2
296D42.2Very low43Very low154 Ų154140.7 Ų140.782%0.82479%0.789SS**  trans-150.387.4164.2-161.630.2000105.2
297A45.1Very low43.7Very low78 Ų78143.7 Ų143.765%0.64579%0.789SS**  76.7137.168.300000112.3
298P48.4Very low44.7Very low110 Ų110142.4 Ų142.471%0.71478%0.778SS**SBendtrans-69.2155.6178.430.7-35.1000110.8E300P298-E300 VanDerWaalsContact C-N 3.26Å; P298-E300 PolarHBondContact O-N 2.8Å
299L49.5Very low46Very low178 Ų178142.2 Ų142.293%0.93277%0.774SS**  trans-67.875.2-179.3-74163.7000112.5F301L299-F301 PolarHBondContact O-N 3.24Å
300E40.9Very low46.3Very low161 Ų161141.2 Ų141.275%0.75276%0.764SS**  trans-71.5115.3167.8-70-159.513900110.3P298 T302P298-E300 VanDerWaalsContact C-N 3.26Å; P298-E300 PolarHBondContact O-N 2.8Å; E300-T302 PolarHBondContact O-N 3.26Å
301F45.3Very low46.9Very low201 Ų201143.8 Ų143.888%0.88276%0.764SS**  trans-7872.9174.3-122.3-91.7000110.1L299 F303L299-F301 PolarHBondContact O-N 3.24Å; F301-F303 PolarHBondContact O-N 2.97Å
302T49.6Very low47.4Very low95 Ų95139.6 Ų139.658%0.58376%0.755SS**  trans-67.698.3-178.6-50.10000111.1E300 H304E300-T302 PolarHBondContact O-N 3.26Å; T302-H304 PolarHBondContact O-N 3.01Å
303F50.5Low47.6Very low167 Ų167143.3 Ų143.373%0.73275%0.754SS**  trans-74.8108170.353.1-89000110.1F301 V305F301-F303 PolarHBondContact O-N 2.97Å; F303-V305 HydrophobicContact CD2-CG2 3.97Å; F303-V305 PolarHBondContact O-N 3.36Å
304H50.6Low47.5Very low173 Ų173140.1 Ų140.180%0.80174%0.743SS**  trans-77.5102.9167.5-71.5-12.1000109.8T302T302-H304 PolarHBondContact O-N 3.01Å
305V57.4Low47.5Very low88 Ų88145.9 Ų145.953%0.53375%0.752SS.*  trans-99.894.6169.3174.30000108.2F303 I307F303-V305 HydrophobicContact CD2-CG2 3.97Å; F303-V305 PolarHBondContact O-N 3.36Å; V305-I307 HydrophobicContact CG1-CD1 4.4Å; V305-I307 HydrophobicContact CG1-CG1 3.93Å; V305-I307 PolarHBondContact O-N 3.06Å
306E46.4Very low47.6Very low171 Ų171139.4 Ų139.480%0.79973%0.733SS**  trans-84.8101.3179-171.8174.3-135.500110.3T308E306-T308 HydrophobicContact CG-CG2 4.49Å; E306-T308 PolarHBondContact O-N 3.23Å
307I58.9Low47.3Very low129 Ų129140.9 Ų140.966%0.66274%0.735SS**  trans-87.489.2-178.8-52.8-178.2000109.7V305V305-I307 HydrophobicContact CG1-CD1 4.4Å; V305-I307 HydrophobicContact CG1-CG1 3.93Å; V305-I307 PolarHBondContact O-N 3.06Å
308T60.1Low46.9Very low108 Ų108141.6 Ų141.666%0.66374%0.735SS**  trans-83.8127.5170.538.50000111.2E306 N310E306-T308 HydrophobicContact CG-CG2 4.49Å; E306-T308 PolarHBondContact O-N 3.23Å; T308-N310 PolarHBondContact O-N 3.4Å
309P64.4Low46.3Very low118 Ų118145.5 Ų145.577%0.76674%0.744SS**  trans-76.296.6179.529.7-33.9000111.3V311P309-V311 PolarHBondContact O-N 3.08Å
310N48.1Very low45.5Very low123 Ų123146 Ų14666%0.65874%0.742SS**  trans-73.888.5176.4-179.734.2000111.8T308 Q312T308-N310 PolarHBondContact O-N 3.4Å; N310-Q312 PolarHBondContact ND2-NE2 2.89Å; N310-Q312 PolarHBondContact O-N 3.25Å; N310-Q312 WeakPolarHBondContact OD1-CG 3.45Å
311V48.9Very low45.3Very low130 Ų130146.2 Ų146.279%0.78874%0.742SS**  trans-77.995.2171.6-178.60000109.6P309P309-V311 PolarHBondContact O-N 3.08Å
312Q44.9Very low45.1Very low163 Ų163143.4 Ų143.476%0.76274%0.736SS**  trans-88.1112.3168.2-70.1-167.3-2.500110.7N310N310-Q312 PolarHBondContact ND2-NE2 2.89Å; N310-Q312 PolarHBondContact O-N 3.25Å; N310-Q312 WeakPolarHBondContact OD1-CG 3.45Å
313K41.8Very low44.1Very low169 Ų169142.6 Ų142.674%0.73575%0.746SS**  trans-81.2116.5-179.3-179.1172.2179.7177.20110.5
314E34.3Very low43.2Very low153 Ų153146.2 Ų146.272%0.71576%0.755SS**  trans27119.4131.5-179.5-154.5179.300117.3
315Q37Very low42.7Very low188 Ų188142.7 Ų142.788%0.87976%0.756SS**  trans-145125.5146.1-162.717012.800112.7
316A34.6Very low41.7Very low70 Ų70142.6 Ų142.658%0.57976%0.764SS**  trans49.1112.8157.400000119.7
317H37.3Very low41.4Very low186 Ų186144 Ų14486%0.86177%0.768SS**  -172.9126.3115.2-88.8-60.9000108.3
318S35.2Very low41.1Very low92 Ų92144.1 Ų144.164%0.64378%0.777SS**  cis159.587.4-21.445.60000105.6
319E35.9Very low39.7Very low192 Ų192142.1 Ų142.190%0.89778%0.778SS**  trans177.999.7172-103.4170161.800104
320E34Very low38.6Very low190 Ų190141.2 Ų141.289%0.88878%0.78SS**  cis72.5152.149.9-134.9-156.5141.400114.5
321H35Very low38.6Very low165 Ų165141.7 Ų141.776%0.76479%0.79SS**  trans69.2118-171.4-136.8-137.4000113
322L41.1Very low38.1Very low142 Ų142138.4 Ų138.474%0.74378%0.782SS**  cis-137.5138.919.3-82.4157.9000112.1
323G30.1Very low37.9Very low77 Ų77140.7 Ų140.779%0.79479%0.793SS**  trans-125.1129.8149.300000109.2
324R32Very low37.5Very low243 Ų243136.1 Ų136.192%0.91779%0.793SS**  trans-178.694.3164.1-170.9176.4-172.5-145.82.5113.6
325A39.3Very low37.8Very low100 Ų100135.2 Ų135.283%0.82680%0.801SS**  trans-174.4104.5152.800000106.9
326A36.7Very low37.8Very low85 Ų85135 Ų13570%0.70280%0.8SS**  cis80.3107.639.500000114
327F39.4Very low37.8Very low201 Ų201136.1 Ų136.188%0.88281%0.809SS**  trans-21.2153.1170.5-50.3-85.1000119.1
328P52.7Low37.6Very low132 Ų132139.5 Ų139.586%0.85781%0.814SS**  -138.6167.285.539.4-27.6000115.2
329G30.2Very low37.5Very low66 Ų66138.7 Ų138.768%0.6882%0.82SS**  cis141.172.8-11.300000117.1
330A41.5Very low38.3Very low98 Ų98135.5 Ų135.581%0.8182%0.816SS**  trans64.5177.4169.800000115.1
331P49Very low38.7Very low133 Ų133131.4 Ų131.486%0.86481%0.809SS**  cis-92.5179.48.239.6-36.7000114
332G37.3Very low38.9Very low61 Ų61130.6 Ų130.663%0.62981%0.809SS**  cis132140.5-4.200000113.3
333E40.8Very low38.9Very low212 Ų212127.6 Ų127.699%0.99181%0.812SS**  trans68.6144.6178.8-48.8176.316100114.2
334G34.5Very low39.5Very low72 Ų72131.1 Ų131.174%0.74281%0.808SS**  cis150.91650.700000108.8
335P41.2Very low40.2Very low134 Ų134125 Ų12587%0.8779%0.794SS**  cis-128.5-137.6-9.543.7-24.1000112.3
336E35.5Very low40.4Very low184 Ų184125.8 Ų125.886%0.8679%0.789SS**  trans-77.6154.6-172.9-64.5-178.588.800117.8
337A35.2Very low40.8Very low93 Ų93128.2 Ų128.277%0.76978%0.783SS**SBendtrans52.564.7139.400000121.3
338R32.7Very low41Very low257 Ų257126.1 Ų126.197%0.9778%0.776SS**  trans-175.8144.9138.9-110.2172.8176.6-153.9-0.8113.2
339G33.1Very low40.2Very low75 Ų75124.2 Ų124.277%0.77377%0.771SS**  trans102.5153.6161.500000115.8
340P53.2Low40.8Very low125 Ų125128.1 Ų128.181%0.81278%0.777SS**  trans-119.8155.9-169.141-29.4000115.2
341S41.5Very low40.7Very low104 Ų104130.5 Ų130.573%0.72778%0.775SS**  167.3136.5110.364.10000113.7
342L40.9Very low40.6Very low149 Ų149129.8 Ų129.878%0.7877%0.77SS**  trans33.9118.2143.6-72.2157.3000119.8E344L342-E344 HydrophobicContact CD2-CG 4.41Å
343G40.8Very low40.5Very low78 Ų78134.9 Ų134.980%0.80478%0.778SS**  trans-167.250.6172.500000110.8D345G343-D345 PolarHBondContact O-N 3.24Å
344E42.2Very low40.7Very low152 Ų152129.4 Ų129.471%0.7176%0.761SS**  trans-46.5122.7-178.5-71.8171.2120.700111L342L342-E344 HydrophobicContact CD2-CG 4.41Å
345D45.9Very low40.8Very low114 Ų114130.8 Ų130.861%0.6176%0.759SS**  65.4154.1100-81.4-75.9000113.2G343 K347G343-D345 PolarHBondContact O-N 3.24Å; D345-K347 IonicContact OD1-NZ 2.65Å; D345-K347 PolarHBondContact OD1-NZ 2.78Å
346T45.1Very low40.5Very low117 Ų117130.9 Ų130.972%0.71875%0.748SS**  cis-167168.918.912.70000105.8
347K44.8Very low40.5Very low135 Ų135129.8 Ų129.859%0.58774%0.74SS**  cis-159.3147.2-31.3-110.9-173-176.878.70104.7D345D345-K347 IonicContact OD1-NZ 2.65Å; D345-K347 PolarHBondContact OD1-NZ 2.78Å
348E41.9Very low40.6Very low157 Ų157134.3 Ų134.373%0.73475%0.745SS**  47.5126.391.8-53.8-171133.500113.9
349A37.8Very low41.1Very low92 Ų92127.4 Ų127.476%0.7673%0.734SS**  cis83.3126.340.500000114.5
350D41.5Very low41Very low148 Ų148128.7 Ų128.779%0.79174%0.737SS**  trans-154.9130.4154.2-120.3-17.4000102.6
351L40.7Very low40.3Very low149 Ų149127.8 Ų127.878%0.7874%0.74SS**  cis60.1148.342.1-63176.1000112.9
352P46Very low39.9Very low117 Ų117127.3 Ų127.376%0.7674%0.743SS**  cis-125.9174.49.643.2-29.6000115.9
353E35.3Very low40.1Very low169 Ų169125.4 Ų125.479%0.7974%0.739SS**  trans-71.7-173.2152.4-119.2-154.2125.800110.4
354P45.5Very low40.2Very low97 Ų97133.8 Ų133.863%0.6375%0.747SS**  cis-134.7-170.7-6.730.2-7.2000114.8
355S35.6Very low39.9Very low101 Ų101129.8 Ų129.871%0.70675%0.746SS**  trans110153.1132.480.30000121.5
356E36.2Very low40.2Very low135 Ų135134.1 Ų134.163%0.63176%0.759SS**  trans79.897.4161.5-59.1-8288.500120.9
357K34.7Very low40.2Very low161 Ų161134 Ų13470%0.776%0.761SS**  48.1115.2125.7-57.3164.9-176.9146.80120.8
358Q37.4Very low40.1Very low188 Ų188133.2 Ų133.288%0.87977%0.767SS**  175.8154.899.9-102.4-177.4-136.800113.3
359P42.1Very low40Very low113 Ų113129.6 Ų129.673%0.73476%0.759SS**  trans-99171.3172.739-34000114
360A31.2Very low40.4Very low102 Ų102136 Ų13684%0.84376%0.763SS**  trans70.6114.8161.200000119.8
361A38.3Very low40.3Very low106 Ų106134.1 Ų134.188%0.87676%0.758SS**  -161.7151124.900000110.8
362A33.6Very low40.7Very low94 Ų94133.4 Ų133.478%0.77776%0.762SS**  trans-109.6-167.2171.800000108.8
363P45.1Very low40.3Very low109 Ų109134.2 Ų134.271%0.70876%0.755SS**  cis-132.6161-13.239.4-24.2000114.5
364R43.6Very low40.6Very low254 Ų254134.7 Ų134.796%0.95876%0.762SS**  trans-177.2142.2145.3-94.7139.2-160.4-104.54.7108.9
365G36.4Very low40.1Very low68 Ų68138.4 Ų138.470%0.70177%0.768SS**  cis12956.4-7.200000115.5
366K51.7Low40.4Very low204 Ų204138 Ų13889%0.88777%0.772SS**  trans-165.3133148-106.7158-171.7-175.80111.6
367P44.8Very low40.5Very low114 Ų114142.7 Ų142.774%0.7478%0.783SS**  trans-132.3-158.8-174.130.5-5.3000112.7
368V42.5Very low40.8Very low120 Ų120143.1 Ų143.173%0.72779%0.79SS**  trans72121.2160.9-178.20000115
369S40.7Very low40.9Very low81 Ų81140.4 Ų140.457%0.56679%0.786SS**  cis94.1150.223.1910000116.7
370R44.6Very low41.5Very low225 Ų225140.1 Ų140.185%0.84979%0.787SS**  trans77113.3165.5-59.1163.9-172.9-165.8-0.7116.1
371V40.3Very low42.2Very low110 Ų110145.3 Ų145.367%0.66779%0.79SS**  59.511976.9176.10000114.2Q373V371-Q373 HydrophobicContact CG1-CG 3.85Å
372P48.2Very low42.8Very low133 Ų133145.1 Ų145.186%0.86478%0.783SS**  trans-103.5129.1139.7-7.927.1000111.6
373Q38.1Very low43.9Very low135 Ų135149.1 Ų149.163%0.63178%0.782SS**  trans-104.2120.6166.4-75.1-172.810.700110.6V371V371-Q373 HydrophobicContact CG1-CG 3.85Å
374L42Very low43.8Very low178 Ų178150.8 Ų150.893%0.93279%0.785SS**  trans-151.7112.9159.1-69.9-179.6000106.8
375K34.2Very low43.8Very low175 Ų175142.5 Ų142.576%0.76178%0.779SS**  cis92.954.59.3-145175.2-170.5171.60118
376A41.9Very low44.1Very low94 Ų94146.7 Ų146.778%0.77779%0.791SS**  trans-138.7135.8145.100000106.5
377R40Very low43.7Very low232 Ų232140.6 Ų140.688%0.87579%0.786SS**  cis64.983.118.4-90.1-165.375.9162.13116
378M39.7Very low43.7Very low171 Ų171140.3 Ų140.384%0.84279%0.787SS**  174.1131129.8-94.4159.666.300107.5
379V39.4Very low43.8Very low131 Ų131141.1 Ų141.179%0.79479%0.787SS**  cis63.4107.346.6-173.70000109.7
380S55.9Low44.3Very low106 Ų106143 Ų14374%0.74179%0.791SS**  -158177.959.253.40000114.4
381K45.4Very low44.9Very low211 Ų211140.3 Ų140.392%0.91779%0.785SS**  trans-100.9133.9165.1-84.3-173.3175.6-178.30111.2
382S49.9Very low45.3Very low103 Ų103145 Ų14572%0.7280%0.797SS**  trans-173.9117.6156.545.80000106.1
383K57.3Low45.2Very low177 Ų177143.6 Ų143.677%0.7780%0.796SS**  cis75.912434.9-172.2163.2176.3167.80114.4
384D43.4Very low45.7Very low144 Ų144146.8 Ų146.877%0.7781%0.808SS**  trans67.1138.4173.9-56-25.1000117.8
385G43.9Very low45.7Very low80 Ų80145.1 Ų145.183%0.82581%0.806SS**  trans150.971.7-178.900000115
386T41.7Very low46.4Very low157 Ų157141.6 Ų141.696%0.96380%0.803SS**  trans-73.7139.6174.2-54.70000111.8
387G44Very low46.6Very low76 Ų76143.5 Ų143.578%0.78481%0.805SS**  trans-175.1144.5169.800000112.1
388S43.8Very low46.7Very low107 Ų107143.9 Ų143.975%0.74881%0.807SS**  trans-117.2-179.2-175.9600000112.8
389D46.3Very low46.5Very low137 Ų137140.5 Ų140.573%0.73380%0.8SS**  trans77.996159.5-66.8-73.7000120.8
390D50.5Low46.4Very low121 Ų121139.5 Ų139.565%0.64780%0.799SS**  94.2149.6108.7-154.311.8000120.3
391K57.1Low45.5Very low168 Ų168138.4 Ų138.473%0.7380%0.796SS**  trans69.9104.9165.9-51.6-169176.866.90120.5
392K49.3Very low45.6Very low208 Ų208137.4 Ų137.490%0.90479%0.792SS**  8290.8120.8-170.5-161.4176.4-172.70119.6
393A44.5Very low45.2Very low104 Ų104137.8 Ų137.886%0.8679%0.79SS**  trans-146.9139139.900000111.6
394K49.2Very low44.7Very low203 Ų203135.8 Ų135.888%0.88379%0.787SS**  trans-87.4151.4-177.3-61.9173.9175.6179.60111.7
395T41.2Very low44.8Very low143 Ų143136.8 Ų136.888%0.87778%0.784SS**  -163.5154.3119.1-77.50000110.1
396S49Very low44.7Very low101 Ų101140 Ų14071%0.70678%0.782SS**  trans-67.9160.4-175.8-154.20000112.2
397T47.2Very low44.6Very low134 Ų134143 Ų14382%0.82278%0.776SS**  cis-146.3144.123-58.40000112.2
398R41.3Very low44.5Very low239 Ų239145.1 Ų145.190%0.90278%0.776SS**  trans-150.1133.2173.4-148.5-165.8-170.6-162.24.2113.2
399S35.4Very low44Very low100 Ų100144.6 Ų144.670%0.69977%0.771SS**  trans74.1153.3147.4-157.30000120.9
400S38.6Very low44Very low111 Ų111146.2 Ų146.278%0.77678%0.779SS**  trans86.5142147.3-57.40000119.3
401A36.4Very low43.5Very low82 Ų82145.8 Ų145.868%0.67879%0.786SS**  cis-172.2-174.7-18.600000109.9
402K46.6Very low42.9Very low191 Ų191143.4 Ų143.483%0.8379%0.787SS**  trans84.7110.4146.1-74.3172.2-177.6-179.80120.2
403T41.4Very low42.4Very low111 Ų111143.5 Ų143.568%0.68179%0.788SS**  89.391.5110.1-57.50000119.9
404L47.2Very low41.9Very low134 Ų134146.1 Ų146.170%0.70278%0.782SS**  89.6130.8124.8-65.8-179.5000123.3
405K46.4Very low41.8Very low166 Ų166141.9 Ų141.972%0.72278%0.775SS**  trans86.8117.9132.3-77.2168.4-176.7179.30121.3
406N41.2Very low41.5Very low146 Ų146140.1 Ų140.178%0.78176%0.764SS**  trans88.188.7136.7-58.83.1000120.3
407R39.9Very low41.3Very low221 Ų221141.4 Ų141.483%0.83477%0.77SS**  -17.7139.1127.6-165.8163.8-169.3-151.92.7112.7
408P41.8Very low40.8Very low120 Ų120138.7 Ų138.778%0.77977%0.769SS**  -139.116364.139.1-21.4000119.2
409C33Very low40.9Very low96 Ų96132.9 Ų132.965%0.64977%0.765SS**  trans-86136.2177.2-35.40000110.4
410L46.1Very low41.5Very low172 Ų172133.8 Ų133.890%0.90177%0.771SS**  trans-140.3122.7161.4-74.8178.3000110.5
411S41Very low41.9Very low112 Ų112134.8 Ų134.878%0.78377%0.768SS**  trans-95.9-173.9161.5-51.40000108.4
412P43.5Very low42.8Very low117 Ų117136.2 Ų136.276%0.7677%0.77SS**  cis-126.8153.4-49.431.7-17.7000111.9
413K40Very low42.8Very low211 Ų211133.3 Ų133.392%0.91776%0.763SS**  trans-146.5135.7155.6-74.2-158.4175.9-173.60113.2
414H32.8Very low43.3Very low158 Ų158136.4 Ų136.473%0.73177%0.774SS**  trans-88143.8167.3176.5-115.9000109.5T416H414-T416 PolarHBondContact CE1-OG1 3.22Å; H414-T416 PolarHBondContact NE2-OG1 3.18Å
415P47.5Very low43.3Very low114 Ų114138 Ų13874%0.7478%0.777SS**  -149.1141.4122.535.9-19.4000116.2
416T35.6Very low43.6Very low106 Ų106135.1 Ų135.165%0.6578%0.776SS**  trans-94.1171.4142.9170000108.8H414H414-T416 PolarHBondContact CE1-OG1 3.22Å; H414-T416 PolarHBondContact NE2-OG1 3.18Å
417P44Very low43.8Very low129 Ų129133.7 Ų133.784%0.83878%0.777SS**  cis-125.3-169.6-9.840.6-24.8000112.5
418G37.2Very low44Very low77 Ų77128 Ų12879%0.79477%0.772SS**  trans175.1100.6168.900000118.5
419S43.8Very low44.6Very low116 Ų116128.6 Ų128.681%0.81178%0.775SS**  trans-33.5142166.3167.50000119
420S48.5Very low44.9Very low120 Ų120128.6 Ų128.684%0.83978%0.782SS**  -166.5137.4118.8-76.30000112.6
421D46.7Very low44.7Very low132 Ų132127.2 Ų127.271%0.70678%0.781SS**  trans-97.6168.7179-175.446.2000111.1L423D421-L423 PolarHBondContact OD2-N 3.38Å
422P54.7Low44.6Very low112 Ų112127.4 Ų127.473%0.72778%0.781SS**  -148.9125106.935.3-17.2000117.2
423L47.1Very low44.7Very low130 Ų130127.7 Ų127.768%0.68178%0.782SS**  45.8114.5125.5-83.5160.8000119.7D421D421-L423 PolarHBondContact OD2-N 3.38Å
424I51.5Low44.6Very low176 Ų176125.9 Ų125.990%0.90378%0.777SS**  -157.7152123.4-99.5149.2000109.4
425Q48Very low45.3Very low167 Ų167123.4 Ų123.478%0.7878%0.775SS**  trans-133.9-176.6-166.3-121.9-169.8800109.3
426P51.8Low45.4Very low106 Ų106123.5 Ų123.569%0.68878%0.775SS**  cis-139.7-173.2-1036.7-16000116
427S44.5Very low45.6Very low116 Ų116124.3 Ų124.381%0.81179%0.785SS**  trans97.1127.3142-156.60000120.8
428S44.7Very low45.5Very low102 Ų102123 Ų12371%0.71378%0.78SS**  trans-81.7-178.8168.2-42.90000112
429P54.5Low45.9Very low131 Ų131124.2 Ų124.285%0.85177%0.774SS**  -138165.490.339.5-28.6000114.8
430A39.1Very low45.8Very low96 Ų96128 Ų12879%0.79378%0.775SS**  trans-129.5139.2171.600000110.5
431V42.4Very low45.3Very low144 Ų144132.2 Ų132.287%0.87377%0.774SS**  trans-143.6143.2169.2-174.30000109.2
432C38Very low45Very low116 Ų116130.6 Ų130.678%0.78477%0.769SS**  trans-84.3-169.6-175.7-47.70000111.5
433P46.4Very low44.3Very low122 Ų122130.1 Ų130.179%0.79277%0.768SS**  cis-143.5177.34.344.7-25.5000118.4
434E38.5Very low44Very low174 Ų174129.5 Ų129.581%0.81378%0.775SS**  trans-76.2-169.6155.3-118.3-168.8109.300110.9
435P45.9Very low43.4Very low106 Ų106127 Ų12769%0.68877%0.767SS**  cis-125.7-117.5-10.5234000114.2
436P50.5Low43Very low115 Ų115124.8 Ų124.875%0.74777%0.766SS**  -128.6-172.8-107.242.1-25.7000116.9
437S39.9Very low42.5Very low123 Ų123125.2 Ų125.286%0.8677%0.771SS**  trans94.7146.6159.3-156.30000118.7
438S41.5Very low42.3Very low103 Ų103130.4 Ų130.472%0.7277%0.773SS**  trans-104.1162.4174.264.40000110.5
439P46.8Very low41.7Very low102 Ų102132.1 Ų132.166%0.66278%0.779SS**  -157.2163.199.938.9-20.5000117.7
440K40Very low40.7Very low195 Ų195129.3 Ų129.385%0.84877%0.774SS**  trans45.2132.4142.7-58.2161.2-170.2171.30119.1
441Y37.9Very low40.9Very low208 Ų208130.5 Ų130.582%0.81678%0.777SS**  177.4147.574.9-161-129.4000114.1
442V41.3Very low41.1Very low99 Ų99129.3 Ų129.360%0.678%0.775SS**  trans44.5114.3159.8-60.80000126.8
443S39.4Very low41.3Very low101 Ų101127.1 Ų127.171%0.70677%0.772SS**  trans1.7140.5131.561.10000125
444S41.4Very low41.2Very low117 Ų117126.2 Ų126.282%0.81878%0.775SS**  -159.7129.2128.838.90000108
445V39.8Very low41.6Very low123 Ų123125.9 Ų125.975%0.74577%0.77SS**  cis93.885.642.3-179.70000113.9
446T38.6Very low41.4Very low122 Ų122127.8 Ų127.875%0.74877%0.77SS**  trans45.6115139.6-35.90000122.3
447S40.7Very low41.4Very low115 Ų115129.6 Ų129.680%0.80477%0.77SS**  trans-161.9128.4138.9-80.50000108.6
448R41.1Very low41.5Very low224 Ų224131.9 Ų131.985%0.84577%0.765SS**  71104.461.5-78.5-163.3172.5-154.2-1115.4
449T31.1Very low41.9Very low139 Ų139134.5 Ų134.585%0.85377%0.77SS**  trans70.7113.5136.7-47.90000120.4
450G34.4Very low41.5Very low71 Ų71138.4 Ų138.473%0.73278%0.777SS**  126.3150.1116.600000120.8
451S43.7Very low41.4Very low122 Ų122132.8 Ų132.885%0.85377%0.774SS**  trans96150.9145.1-146.20000122.1
452S45.6Very low41.6Very low119 Ų119127.4 Ų127.483%0.83277%0.772SS**  trans52.6129.6177.461.60000120.3
453G43.1Very low41.4Very low70 Ų70130.9 Ų130.972%0.72279%0.787SS**  cis162.9142-11.600000116.1
454A44.9Very low41.6Very low103 Ų103129.5 Ų129.585%0.85179%0.789SS**  trans67.3148.9159.400000117.7
455K45.2Very low41.4Very low167 Ų167134 Ų13473%0.72679%0.794SS**  cis-158.1147.3-5.4-140.7-175.4174.6-138.40111.2
456E41.6Very low41.5Very low146 Ų146134.3 Ų134.368%0.68280%0.797SS**  trans61.5145.9154.9-89.7171.4105.200118.6
457M52.2Low41.6Very low153 Ų153137 Ų13775%0.75480%0.798SS**  cis-151.1135.411.755.2-179.4161.500110.1
458K41.2Very low41.3Very low171 Ų171139.2 Ų139.274%0.74380%0.799SS**  77.4115.696.2-171.9-174.2-176.81780112.1
459L49.1Very low41.2Very low158 Ų158133 Ų13383%0.82780%0.796SS**  cis-164.9171.910.5-82.8166.9000107.8
460K40.1Very low41.8Very low184 Ų184133 Ų13380%0.880%0.795SS**  cis-176.8116.4-21.4163.4-115169.7-168.70111.3
461G36.5Very low42.4Very low77 Ų77134.7 Ų134.779%0.79479%0.793SS**  trans81.2176.5158.100000118
462A41.9Very low42.3Very low95 Ų95140.3 Ų140.379%0.78580%0.796SS**  cis-159.8167-8.600000111.8
463D38.8Very low42Very low171 Ų171138.2 Ų138.291%0.91479%0.793SS**  trans-70.3159.4-173.4-52-103.6000116.2
464G43.1Very low41.9Very low72 Ų72140 Ų14074%0.74280%0.801SS**  trans-165.2102.2171.200000115
465K37.3Very low41.9Very low213 Ų213139.8 Ų139.893%0.92680%0.799SS**  trans-128.791.4169.7-86-173176177.50111.5
466T40.8Very low42.1Very low129 Ų129137.4 Ų137.479%0.79180%0.801SS**  trans-151.9117.1171.619.90000107.5
467K40.6Very low42.3Very low179 Ų179136.5 Ų136.578%0.77881%0.808SS**  62.811078.7-75.4-165.3175.1-174.30115.1
468I35.7Very low41.8Very low161 Ų161132.6 Ų132.683%0.82681%0.807SS**  trans56.1111.3135.6-50.2165.8000118.1
469A38.3Very low42.2Very low94 Ų94133.4 Ų133.478%0.77781%0.813SS**  trans-166.6139.3137.500000112.4
470T42.9Very low41.8Very low137 Ų137134.9 Ų134.984%0.8481%0.813SS**  trans-114.2135.4168.5-50.70000109.7
471P48Very low41.8Very low107 Ų107129.5 Ų129.570%0.69581%0.81SS**  trans-124.5136.4140.31.121.4000110.7
472R41.4Very low42.3Very low240 Ų240133.6 Ų133.691%0.90681%0.809SS**  71.3122.572-170.7-172.5-170.3162.61.9111.8
473G38.3Very low42.2Very low75 Ų75133.4 Ų133.477%0.77381%0.807SS**  cis133.3131.1-3.100000112.9
474A41.2Very low42.2Very low108 Ų108132.9 Ų132.989%0.89380%0.804SS**  trans-155.1156174.500000111
475A44.9Very low42.2Very low98 Ų98133.1 Ų133.181%0.8180%0.799SS**  trans-148.7-131.4-173.100000115.5
476P50Low42.4Very low117 Ų117128.7 Ų128.776%0.7679%0.79SS**  -120.8-160-119.543.3-24.7000112.8
477P45.7Very low42.7Very low128 Ų128133.4 Ų133.483%0.83179%0.793SS**  cis-140175.4-1.443.8-26.3000117.7
478G42Very low43Very low71 Ų71132.3 Ų132.373%0.73279%0.794SS**  trans132.3154155.900000116.1
479Q49.6Very low43.4Very low188 Ų188130.5 Ų130.588%0.87979%0.793SS**  cis-147.7169-5.6-69.5-168.4-19.100112.6
480K40.1Very low43.3Very low188 Ų188130.5 Ų130.582%0.81779%0.793SS**  trans-27.6156.6170.1-52.8163.7-175.2176.10116.8
481G40.1Very low43.2Very low72 Ų72134 Ų13474%0.74280%0.796SS**  cis-176.9-157.29.200000108.4
482Q47.4Very low43Very low163 Ų163135.3 Ų135.376%0.76280%0.803SS**  cis-169.2139.2-14.4-103.8156.8-121.200106.8
483A41.1Very low43.4Very low90 Ų90129.4 Ų129.474%0.74480%0.795SS**  54.7136.689.900000115.9
484N38.4Very low43.8Very low160 Ų160131.7 Ų131.786%0.85680%0.797SS**  cis-157.8172.27.2-147.9-14.6000114.3
485A41.6Very low43.9Very low78 Ų78130.8 Ų130.865%0.64579%0.789SS**  trans-68.2-179.7-174.400000117.8
486T42.6Very low43.8Very low119 Ų119131.3 Ų131.373%0.7378%0.784SS**  155.7139.5121.8-67.90000116.8
487R46.4Very low43.4Very low228 Ų228135.4 Ų135.486%0.8679%0.79SS**  trans73.3126.6157-84.9165.8-172.8-93.6-0.5123.4
488I47.2Very low43Very low156 Ų156135.8 Ų135.880%0.879%0.79SS**  trans-93.2149.9150.5-56.8163.2000108.6
489P44.5Very low43.5Very low123 Ų123137.8 Ų137.880%0.79979%0.79SS**  trans-141146.2134.635.9-22.1000114.2
490A36.2Very low43.4Very low94 Ų94134.2 Ų134.278%0.77778%0.783SS**  trans-99.4159.2176.600000113
491K41.6Very low43.4Very low210 Ų210131.1 Ų131.191%0.91379%0.786SS**  trans-163.2125.4166.7-109.5165.7-175.1-177.80113.9
492T42.4Very low43.5Very low135 Ų135133 Ų13383%0.82879%0.788SS**  trans-86.8-171.4161.114.70000110.3
493P50.1Low43.3Very low116 Ų116128.3 Ų128.375%0.75378%0.783SS**  cis-119.6-146.4439.8-18.2000110.8
494P47.3Very low43.4Very low123 Ų123132.7 Ų132.780%0.79979%0.788SS**  cis-136.6-152.6-4.444.3-23.3000115.3
495A42.1Very low43.9Very low89 Ų89129.8 Ų129.874%0.73678%0.778SS**  trans-137.4178172.300000110.9
496P44.3Very low44.2Very low109 Ų109130.6 Ų130.671%0.70878%0.777SS**  trans-157.5151.5130.736.4-16.6000120.7
497K41.8Very low44.3Very low203 Ų203133.8 Ų133.888%0.88378%0.78SS**  trans86.4119.7138.9-71.3160-167.6175.30124.3
498T37.4Very low43.9Very low136 Ų136128.6 Ų128.683%0.83478%0.779SS**  trans-84.5-160.7157.512.90000111.3
499P50.8Low43.5Very low113 Ų113125 Ų12573%0.73478%0.781SS**  cis-136.5-143.5845.5-23.1000112.4
500P49.2Very low43.1Very low113 Ų113126.4 Ų126.473%0.73478%0.781SS**  cis-137.2-175.3-15.440.5-21.7000117.1
501S39Very low43.5Very low124 Ų124132.5 Ų132.587%0.86778%0.784SS**  trans77.9137.8157.6-1580000117.8
502S42.4Very low43.3Very low112 Ų112128.1 Ų128.178%0.78378%0.78SS**  cis-173.2157.7-23.3-165.60000107.4
503G42.6Very low43.1Very low64 Ų64124.8 Ų124.866%0.6677%0.773SS**  cis153.3174.9-7.100000112.9
504E44.5Very low42.5Very low182 Ų182128.6 Ų128.685%0.8577%0.773SS**  trans76.6150.1159.3-70.5-105.884.800120.2
505P48.9Very low42.1Very low98 Ų98125.6 Ų125.664%0.63676%0.755SS**  -145.1-135.3-123.745-22.4000112.9
506P47.7Very low42.4Very low96 Ų96125.5 Ų125.562%0.62375%0.749SS**  cis-122.6-167.3-43.934-16.1000112.8
507K44.1Very low42.5Very low185 Ų185123.4 Ų123.480%0.80474%0.736SS**  trans98.8107.9165.3-59.6158.5-174.8170.60114.6
508S37.4Very low42.2Very low119 Ų119115.3 Ų115.383%0.83271%0.71SS**  82.7108.657.875.50000113.9
509G39.5Very low42.7Very low82 Ų82114.2 Ų114.285%0.84571%0.708SS**  trans-176.9116.4175.500000112
510D36.7Very low42.6Very low151 Ų151114 Ų11481%0.80771%0.707SS**  trans-71.8162.9-178.3-93.3-66.8000115.1
511R43.3Very low42.3Very low222 Ų222112.4 Ų112.484%0.83871%0.71SS**  trans80.7114.7153.8-69.4148.1-173.2-1520.5121.1
512S38.9Very low42.9Very low118 Ų118113.1 Ų113.183%0.82571%0.709SS**  22.3138.6128.259.20000121
513G36.5Very low43.1Very low65 Ų65114 Ų11467%0.6771%0.712SS**  cis151.8161000000112.8
514Y37.8Very low43.3Very low197 Ų197114.5 Ų114.577%0.77372%0.717SS**  trans69.5139.7-171.6138.1-65.6000113.1M31M31-Y514 PolarHBondContact O-OH 3.27Å
515S38.6Very low43.4Very low60 Ų60110.3 Ų110.342%0.4271%0.708SS.*  cis-138.3178.223.1-36.50000115.5
516S48.7Very low43.4Very low87 Ų87116.6 Ų116.661%0.60872%0.719SS**  trans-122.9173.1151.8-49.60000108Q33Q33-S516 CarbonylContact C-O 2.83Å; Q33-S516 VanDerWaalsContact C-O 3.3Å; Q33-S516 PolarHBondContact N-O 3.15Å; Q33-S516 CarbonylContact O-C 3.35Å; Q33-S516 WeakPolarHBondContact O-CA 3.37Å
517P47Very low43.4Very low65 Ų65116 Ų11642%0.42272%0.717SS.*  cis-87.1-14325.32.7-0.8000124.6Q33 D34 Q35Q33-P517 VanDerWaalsContact C-N 3.26Å; Q33-P517 VanDerWaalsContact O-N 3.15Å; D34-P517 CarbonylContact C-O 3.3Å; D34-P517 WeakPolarHBondContact CA-O 3.28Å; D34-P517 HydrophobicContact CB-CB 2.32Å; D34-P517 HydrophobicContact CB-CG 2.31Å; D34-P517 WeakPolarHBondContact CB-O 3.47Å; D34-P517 VanDerWaalsContact N-N 3.19Å; D34-P517 WeakPolarHBondContact OD1-CA 3.23Å; D34-P517 WeakPolarHBondContact OD1-CB 3.32Å; D34-P517 WeakPolarHBondContact OD1-CG 3.28Å; D34-P517 VanDerWaalsContact OD2-CB 3.29Å; D34-P517 WeakPolarHBondContact OD2-CB 3.48Å; D34-P517 WeakPolarHBondContact OD2-CD 3.46Å; D34-P517 WeakPolarHBondContact OD2-CG 3.39Å; Q35-P517 VanDerWaalsContact N-C 3.34Å; Q35-P517 PolarHBondContact N-O 3.27Å
518G35.9Very low43.6Very low33 Ų33117.9 Ų117.934%0.3472%0.719SS.*  trans-172.5120.7138.700000115.5D34 Q35D34-G518 VanDerWaalsContact C-CA 3.48Å; D34-G518 VanDerWaalsContact CB-N 3.3Å; Q35-G518 VanDerWaalsContact N-CA 3.31Å
519S47.4Very low43.9Very low113 Ų113118.5 Ų118.579%0.7972%0.718SS**  trans-172.6154.2169-86.50000115.8
520P49.2Very low44.5Very low109 Ų109118.7 Ų118.771%0.70871%0.705SS**  trans-141.2178-133.843.1-25.6000118.9
521G42.4Very low44.7Very low78 Ų78116.2 Ų116.280%0.80470%0.699SS**  trans107117.4134.600000120.1
522T51.2Low45.1Very low139 Ų139112 Ų11285%0.85369%0.692SS**  trans-123.1170.7158.261.60000109.8
523P47.6Very low45.5Very low131 Ų131110.4 Ų110.485%0.85168%0.679SS**  trans-145.8138.6146.435.5-19.3000116.8
524G46.5Very low46Very low74 Ų74111.6 Ų111.676%0.76367%0.674SS**  trans102150.7150.400000117.4
525S46.5Very low46.6Very low94 Ų94108 Ų10866%0.65767%0.674SS**  cis-163.4135.3-3-138.30000114.1
526R48.4Very low47.5Very low231 Ų231110.3 Ų110.387%0.87269%0.688SS**  trans67.3148.2149-64.4160-177179.41118.6
527S48Very low47.2Very low82 Ų82111.9 Ų111.957%0.57369%0.694SS**  cis-174.2166.7-16.158.30000110.8
528R48.2Very low47.3Very low226 Ų226119.9 Ų119.985%0.85372%0.716SS**  trans78144.1161-60.1163.2-153.2-124.13.9116.9
529T44.5Very low47.7Very low132 Ų132127.2 Ų127.281%0.8174%0.741SS**  cis-170.9159.3-36.615.60000107.6
530P51Low48.5Very low86 Ų86126.9 Ų126.956%0.55874%0.736SS**  trans-110.6-177.8-151.342.1-37.2000116
531S42.2Very low48.3Very low99 Ų99130.6 Ų130.669%0.69274%0.742SS**  152.1127.4117.462.50000119.3
532L50.9Low48.7Very low132 Ų132136 Ų13669%0.69174%0.743SS**  trans71.5163139-105.970.5000121.7G757L532-G757 WeakPolarHBondContact CA-O 3.45Å; L532-G757 VanDerWaalsContact N-CA 3.25Å; L532-G757 PolarHBondContact N-O 3.29Å
533P47.7Very low48.8Very low85 Ų85135.9 Ų135.955%0.55274%0.742SS**  -136.2-168.3-97.447.5-31.4000117.6Q756P533-Q756 WeakPolarHBondContact CA-O 3.43Å; P533-Q756 WeakPolarHBondContact CB-O 3.41Å
534T47.2Very low48.9Very low91 Ų91133.7 Ų133.756%0.55873%0.734SS**  trans-47.1161.2174.6-11.60000118
535P49.7Very low49.1Very low120 Ų120136.1 Ų136.178%0.77973%0.734SS**  -147.5-173.8108.635.5-15000115.6
536P57.8Low49.1Very low110 Ų110137 Ų13771%0.71474%0.735SS**  trans-123.3-177.5-150.243.5-33.8000117.5
537T42.1Very low49.2Very low120 Ų120136.1 Ų136.174%0.73673%0.732SS**  trans179.5148.2130.322.50000118.6
538R48.3Very low49.5Very low232 Ų232139 Ų13988%0.87575%0.746SS**  trans79.3141.7141.4-75.3165.6179.9-176.8-0.5122.6
539E44.9Very low49.6Very low187 Ų187133.8 Ų133.887%0.87474%0.742SS**  trans-117.4-165.1-178.2-39.5177.3-167.300112.4
540P63.7Low49.7Very low106 Ų106133.6 Ų133.669%0.68874%0.743SS**  -130.3-174.4-119.134.6-10.4000114.8
541K45.2Very low49Very low188 Ų188139 Ų13982%0.81776%0.757SS**  trans-162.6127154.6-102.4133.9-173.7172.20112.6
542K51.6Low49Very low190 Ų190139.2 Ų139.283%0.82676%0.759SS**  trans36.2140.1130.5-49.7178.4-172-68.70117.5
543V52.4Low49.2Very low138 Ų138138.8 Ų138.884%0.83676%0.764SS**  -149.6160.953.21700000112.4
544A49.7Very low48.8Very low84 Ų84140.5 Ų140.569%0.69478%0.778SS**  trans-61-179.5175.600000114.1
545V51.2Low48.6Very low125 Ų125141.7 Ų141.776%0.75879%0.79SS**  -164.8149.650.31700000110.2
546V47.5Very low48Very low113 Ų113139.6 Ų139.669%0.68578%0.783SS**  trans-178.5116.9131.6147.10000114.2
547R50.7Low47.3Very low212 Ų212144.1 Ų144.180%0.879%0.792SS**  trans42.8113.9146.9-56.8177.4170.391.81.4121.9
548T53.4Low47.4Very low142 Ų142144.6 Ų144.687%0.87180%0.8SS**  -155.3156.9105.218.90000110.1
549P49.6Very low47Very low117 Ų117144.5 Ų144.576%0.7680%0.8SS**  trans-122.2-162.1-153.745.8-31000114.1
550P46.5Very low47.1Very low128 Ų128143.6 Ų143.683%0.83180%0.8SS**  -124.7-173.2-94.338-18.9000114.6
551K37Very low45.8Very low199 Ų199147.3 Ų147.387%0.86581%0.808SS**  trans-89.1133.5-172.5-64178.4178.1178.20115.1
552S42.4Very low45.4Very low104 Ų104145.2 Ų145.273%0.72781%0.811SS**  trans59.4134.6142.962.40000123.1
553P55.2Low45.3Very low123 Ų123140 Ų14080%0.79980%0.803SS**  trans-94.1154.9132.536.4-29.5000110.4
554S39.9Very low45.4Very low121 Ų121139.2 Ų139.285%0.84680%0.801SS**  cis84.387.517.5-159.80000117
555S41.2Very low45.6Very low116 Ų116141.7 Ų141.781%0.81181%0.807SS**  trans-175.3129.1133.1-165.50000114.8
556A38.2Very low46.2Very low77 Ų77141 Ų14164%0.63681%0.806SS**  trans39.3117.9146.800000124.8
557K43.1Very low47.1Very low205 Ų205143.6 Ų143.689%0.89181%0.812SS**  64.398.5128.8-58.4173.1-175174.10120.6
558S43Very low48Very low130 Ų130138.7 Ų138.791%0.90981%0.808SS**  -146.7160.1119.3-166.40000110.7
559R41.1Very low48.6Very low230 Ų230136.3 Ų136.387%0.86879%0.79SS**  trans-125.7109.8-172.9174-168.6-172.11713.6109.2
560L45.6Very low49.7Very low168 Ų168137.1 Ų137.188%0.8879%0.787SS**  trans-173.2168.1148-102.5163.8000109.5
561Q37.7Very low50.8Low184 Ų184138.9 Ų138.986%0.8678%0.782SS**  trans-102.9126.1-165.6-63.4155.4-33.800111.8
562T36.3Very low52.4Low144 Ų144136 Ų13688%0.88378%0.775SS**  trans-142.9134162.1-48.10000108.9
563A49.8Very low54Low80 Ų80136.6 Ų136.666%0.66178%0.775SS**PPolyproline II helixtrans-80.6155.1-172.100000113V565A563-V565 PolarHBondContact O-N 3.26Å
564P53.5Low54.9Low122 Ų122139.1 Ų139.179%0.79277%0.773SS**PPolyproline II helixtrans-63.1122.8165.827.9-33.7000109.4P566P564-P566 WeakPolarHBondContact O-CD 3.44Å
565V54Low56.5Low135 Ų135137.3 Ų137.382%0.81876%0.76SS**PPolyproline II helixtrans-64.7124.8175.2-174.20000108.2A563 M567A563-V565 PolarHBondContact O-N 3.26Å; V565-M567 PolarHBondContact O-N 3.13Å
566P65.1Low58.2Low112 Ų112142.1 Ų142.173%0.72777%0.767SS**PPolyproline II helixtrans-60.5135.7177.3-22.833.7000110.8P564P564-P566 WeakPolarHBondContact O-CD 3.44Å
567M65.8Low59.7Low167 Ų167144.1 Ų144.182%0.82377%0.765SS**PPolyproline II helixtrans-59.6142.4167.3-64.5-153.9-49.100109.4V565 D569V565-M567 PolarHBondContact O-N 3.13Å; M567-D569 PolarHBondContact O-N 3.21Å
568P68.8Low60.9Low109 Ų109136.7 Ų136.771%0.70875%0.747SS**PPolyproline II helixtrans-59.6133.5179.125.1-34.2000110.5L570P568-L570 PolarHBondContact O-N 3.1Å
569D67.3Low61.8Low92 Ų92134.5 Ų134.549%0.49273%0.732SS.*  trans-77.593.9-165-159.114.4000111.6M567 K571 N572M567-D569 PolarHBondContact O-N 3.21Å; D569-K571 PolarHBondContact O-N 3.34Å; D569-K571 WeakPolarHBondContact OD1-CE 3.36Å; D569-K571 WeakPolarHBondContact OD1-CG 3.46Å; D569-K571 IonicContact OD1-NZ 2.85Å; D569-K571 PolarHBondContact OD1-NZ 3.36Å; D569-K571 WeakPolarHBondContact OD2-CD 3.46Å; D569-K571 IonicContact OD2-NZ 2.69Å; D569-K571 PolarHBondContact OD2-NZ 2.81Å; D569-N572 PolarHBondContact O-N 3.32Å
570L72.3Confident63Low134 Ų134128.2 Ų128.270%0.70272%0.719SS**G310 helixtrans-58.5-14.1-170.7-62.7-180000114.5P568 N572 V573P568-L570 PolarHBondContact O-N 3.1Å; L570-N572 PolarHBondContact O-N 2.96Å; L570-N572 VanDerWaalsContact O-N 3.11Å; L570-V573 HydrophobicContact CD2-CG2 4.22Å; L570-V573 PolarHBondContact O-N 2.94Å
571K70.2Confident64.3Low165 Ų165127.8 Ų127.872%0.71771%0.713SS**G310 helixtrans-49.8-32173.4-55-177.6-170.399.90113.7D569D569-K571 PolarHBondContact O-N 3.34Å; D569-K571 WeakPolarHBondContact OD1-CE 3.36Å; D569-K571 WeakPolarHBondContact OD1-CG 3.46Å; D569-K571 IonicContact OD1-NZ 2.85Å; D569-K571 PolarHBondContact OD1-NZ 3.36Å; D569-K571 WeakPolarHBondContact OD2-CD 3.46Å; D569-K571 IonicContact OD2-NZ 2.69Å; D569-K571 PolarHBondContact OD2-NZ 2.81Å
572N70.1Confident65.5Low137 Ų137125.1 Ų125.173%0.73370%0.704SS**G310 helixtrans-109.58.8-168.3-6814.3000114.1D569 L570 K574D569-N572 PolarHBondContact O-N 3.32Å; L570-N572 PolarHBondContact O-N 2.96Å; L570-N572 VanDerWaalsContact O-N 3.11Å; N572-K574 PolarHBondContact O-N 2.8Å
573V76.1Confident67Low117 Ų117124.3 Ų124.371%0.70969%0.694SS**  trans-79.385.3-178.3-176.60000110.6L570L570-V573 HydrophobicContact CD2-CG2 4.22Å; L570-V573 PolarHBondContact O-N 2.94Å
574K73.8Confident68.2Low176 Ų176129.6 Ų129.677%0.76570%0.702SS**  trans-87.7138.3170.4-172.2179.6175.6-176.70110.7N572N572-K574 PolarHBondContact O-N 2.8Å
575S73.6Confident69.1Low83 Ų83129.9 Ų129.958%0.5869%0.692SS**  trans-65.8146.1174.457.60000112.2
576K76Confident70.1Confident218 Ų218131.6 Ų131.695%0.94869%0.691SS**SBendtrans-86.9-7.9175.6-69.8-173.2177.7-178.30113.9
577I70.1Confident70.1Confident118 Ų118130.5 Ų130.561%0.60569%0.685SS**SBendtrans-80.6132.9177.961.2-180000110.2S579I577-S579 WeakPolarHBondContact CD1-OG 3.36Å; I577-S579 WeakPolarHBondContact CG1-OG 2.47Å; I577-S579 PolarHBondContact O-N 3.07Å
578G67.8Low70.2Confident49 Ų49126.8 Ų126.851%0.50569%0.689SS.*  trans-71.422.7-17800000115.3T580 E581G578-T580 PolarHBondContact O-N 2.95Å; G578-E581 VanDerWaalsContact O-CB 3.24Å; G578-E581 WeakPolarHBondContact O-CB 3.17Å; G578-E581 PolarHBondContact O-N 3.46Å
579S62.1Low69.5Low85 Ų85125 Ų12559%0.59469%0.69SS**THydrogen-bonded Turntrans-63-5.4-170.4-53.50000115.3I577I577-S579 WeakPolarHBondContact CD1-OG 3.36Å; I577-S579 WeakPolarHBondContact CG1-OG 2.47Å; I577-S579 PolarHBondContact O-N 3.07Å
580T66.2Low69Low98 Ų98124.2 Ų124.260%0.60170%0.704SS**THydrogen-bonded Turntrans-108.92.4173.455.70000114.4G578 N582 L583G578-T580 PolarHBondContact O-N 2.95Å; T580-N582 PolarHBondContact O-N 3.46Å; T580-L583 WeakPolarHBondContact O-CB 2.69Å; T580-L583 PolarHBondContact O-N 2.91Å
581E72.8Confident68.4Low159 Ų159127.9 Ų127.974%0.74371%0.714SS**G310 helixtrans-64.7-40.3179.1-169.6168.317300111.8G578 L583G578-E581 VanDerWaalsContact O-CB 3.24Å; G578-E581 WeakPolarHBondContact O-CB 3.17Å; G578-E581 PolarHBondContact O-N 3.46Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 2.9Å
582N64.3Low68Low128 Ų128126.1 Ų126.168%0.68472%0.717SS**G310 helixtrans-80.71.6178.1-73.4-58.4000114.9T580 K584 H585T580-N582 PolarHBondContact O-N 3.46Å; N582-K584 PolarHBondContact O-N 2.86Å; N582-H585 WeakPolarHBondContact O-CB 2.62Å; N582-H585 PolarHBondContact O-N 3.38Å
583L67.6Low67.8Low126 Ų126127.6 Ų127.666%0.6672%0.72SS**G310 helixtrans-67.2-0.4175.9-108.378.3000114.1T580 E581T580-L583 WeakPolarHBondContact O-CB 2.69Å; T580-L583 PolarHBondContact O-N 2.91Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 2.9Å
584K75.8Confident67.4Low192 Ų192129.6 Ų129.684%0.83573%0.725SS**G310 helixtrans-118.211.1172.9-57.1-61.6168.2-162.80113.4N582 Q586N582-K584 PolarHBondContact O-N 2.86Å; K584-Q586 PolarHBondContact O-N 3.36Å
585H72.3Confident67.2Low128 Ų128127 Ų12759%0.59372%0.718SS**  trans-71.396.8168.4-174.788.7000109.8N582 P587N582-H585 WeakPolarHBondContact O-CB 2.62Å; N582-H585 PolarHBondContact O-N 3.38Å; H585-P587 VanDerWaalsContact O-CD 3.31Å; H585-P587 WeakPolarHBondContact O-CD 3.29Å
586Q73.2Confident66.8Low170 Ų170130.2 Ų130.279%0.79473%0.729SS**  trans-72.5113.9165.2-164.973.238.900107.6K584 G588K584-Q586 PolarHBondContact O-N 3.36Å; Q586-G588 PolarHBondContact O-N 2.81Å
587P66.2Low66.5Low90 Ų90127.9 Ų127.958%0.58472%0.719SS**  trans-63.6125.1-176.825.2-33.5000110.3H585 G589H585-P587 VanDerWaalsContact O-CD 3.31Å; H585-P587 WeakPolarHBondContact O-CD 3.29Å; P587-G589 PolarHBondContact O-N 3.33Å
588G68.5Low66.2Low88 Ų88131.4 Ų131.491%0.90773%0.729SS**  trans-72.430.7-175.800000115.6Q586Q586-G588 PolarHBondContact O-N 2.81Å
589G52.6Low66.1Low72 Ų72135.5 Ų135.574%0.74274%0.739SS**  trans-97.4135.117800000111.8P587P587-G589 PolarHBondContact O-N 3.33Å
590G56.9Low66Low76 Ų76137.9 Ų137.978%0.78475%0.745SS**SBendtrans138.55.8177.700000116.6
591K59.2Low65.7Low210 Ų210138.6 Ų138.691%0.91375%0.745SS**SBendtrans-126.321177.3-62.8-172.1-179.9-178.30114.2
592V62.4Low65.3Low129 Ų129135.2 Ų135.278%0.78274%0.739SS**SBendtrans-122.1117.2175.3-1770000108.1I594V592-I594 PolarHBondContact O-N 2.91Å
593Q65.6Low65.2Low167 Ų167136.3 Ų136.378%0.7874%0.744SS**  trans-80.3106.6-178.3-168.117212.300109.4I595Q593-I595 VanDerWaalsContact C-N 3.32Å; Q593-I595 HydrophobicContact CG-CG1 4.15Å; Q593-I595 PolarHBondContact O-N 3.28Å
594I67.8Low65.2Low159 Ų159135.2 Ų135.282%0.81574%0.743SS**  trans-75.786.5178.1-55.3177.8000108.6V592 N596V592-I594 PolarHBondContact O-N 2.91Å; I594-N596 PolarHBondContact O-N 2.91Å
595I70.3Confident64.7Low123 Ų123134.8 Ų134.863%0.63174%0.744SS**  trans-75.196.1175.9-52.6179.2000108.3Q593 K597Q593-I595 VanDerWaalsContact C-N 3.32Å; Q593-I595 HydrophobicContact CG-CG1 4.15Å; Q593-I595 PolarHBondContact O-N 3.28Å; I595-K597 HydrophobicContact CG2-CB 4.14Å; I595-K597 PolarHBondContact O-N 2.61Å
596N65.5Low64.5Low150 Ų150133.6 Ų133.680%0.80275%0.75SS**  trans-71.569.2173.2-172.48.6000111.2I594 K598I594-N596 PolarHBondContact O-N 2.91Å; N596-K598 PolarHBondContact O-N 3.2Å; N596-K598 VanDerWaalsContact O-N 3.13Å
597K69.9Low64.1Low169 Ų169132.7 Ų132.774%0.73574%0.743SS**  trans-8485.5178.5-160.9169.1-172.21750109.2I595 L599I595-K597 HydrophobicContact CG2-CB 4.14Å; I595-K597 PolarHBondContact O-N 2.61Å; K597-L599 PolarHBondContact O-N 3.3Å
598K63.4Low64Low191 Ų191132.7 Ų132.783%0.8375%0.745SS**  trans-43.7113.1171.2-175179.8-177.8-178.50108.7N596 D600N596-K598 PolarHBondContact O-N 3.2Å; N596-K598 VanDerWaalsContact O-N 3.13Å; K598-D600 PolarHBondContact O-N 3.36Å
599L65.1Low63.5Low135 Ų135131.6 Ų131.671%0.70773%0.733SS**  trans-67.5132.4-178-67.6-179.9000109.1K597 L601K597-L599 PolarHBondContact O-N 3.3Å; L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 HydrophobicContact CB-CD2 4.02Å; L599-L601 HydrophobicContact CB-CG 4.35Å; L599-L601 PolarHBondContact O-N 3.41Å
600D60.3Low63.9Low135 Ų135132.8 Ų132.872%0.72273%0.73SS**  trans-78.188175.3-167.8-22.4000108.9K598 S602K598-D600 PolarHBondContact O-N 3.36Å; D600-S602 PolarHBondContact O-N 3.23Å; D600-S602 WeakPolarHBondContact OD1-CB 2.49Å; D600-S602 PolarHBondContact OD1-N 3.26Å; D600-S602 PolarHBondContact OD1-OG 3.32Å
601L60.6Low64Low114 Ų114138 Ų13860%0.59773%0.731SS**G310 helixtrans-78.212.3-176.7-60.1177.8000113.2L599 N603 V604L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 HydrophobicContact CB-CD2 4.02Å; L599-L601 HydrophobicContact CB-CG 4.35Å; L599-L601 PolarHBondContact O-N 3.41Å; L601-N603 PolarHBondContact O-N 3.34Å; L601-V604 HydrophobicContact CB-CB 4.37Å; L601-V604 HydrophobicContact CB-CG2 4.29Å; L601-V604 HydrophobicContact CD2-CG2 3.92Å; L601-V604 PolarHBondContact O-N 3.01Å
602S64.3Low64Low88 Ų88135.2 Ų135.262%0.61573%0.726SS**G310 helixtrans-52.3-18.6-179.949.60000115.5D600D600-S602 PolarHBondContact O-N 3.23Å; D600-S602 WeakPolarHBondContact OD1-CB 2.49Å; D600-S602 PolarHBondContact OD1-N 3.26Å; D600-S602 PolarHBondContact OD1-OG 3.32Å
603N61.7Low63.6Low150 Ų150134.8 Ų134.880%0.80272%0.719SS**G310 helixtrans-111.712.8179.8-69.7-96000113.6L601L601-N603 PolarHBondContact O-N 3.34Å
604V67.9Low63.3Low103 Ų103133.8 Ų133.862%0.62472%0.718SS**  trans-10591.7-177.4-1760000110.8L601L601-V604 HydrophobicContact CB-CB 4.37Å; L601-V604 HydrophobicContact CB-CG2 4.29Å; L601-V604 HydrophobicContact CD2-CG2 3.92Å; L601-V604 PolarHBondContact O-N 3.01Å
605Q64.9Low63.2Low183 Ų183136.2 Ų136.286%0.85572%0.723SS**  trans-75.8133.5168.4-72.1-177.7-33.700110.9
606S67.5Low62.4Low104 Ų104137.9 Ų137.973%0.72773%0.727SS**  trans-70.5133.1172.249.70000110.7C608S606-C608 VanDerWaalsContact C-N 3.28Å
607K65Low62Low150 Ų150137.7 Ų137.765%0.65273%0.731SS**  trans-90.215.5174.1-69.1-165.9175.2-173.40113.8G609 V630K607-G609 PolarHBondContact O-N 3.43Å; K607-V630 VanDerWaalsContact NZ-CG1 3.32Å
608C64.3Low61.3Low91 Ų91133.8 Ų133.862%0.61572%0.723SS**  trans-86.7103.5171.8-168.60000108.5S606 S610S606-C608 VanDerWaalsContact C-N 3.28Å; C608-S610 PolarHBondContact O-N 2.78Å
609G58.9Low60.6Low64 Ų64128.9 Ų128.966%0.6673%0.727SS**  trans-73.953.7-179.900000113.4K607 K611K607-G609 PolarHBondContact O-N 3.43Å; G609-K611 VanDerWaalsContact C-N 3.34Å; G609-K611 PolarHBondContact O-N 2.98Å
610S60.1Low59.7Low98 Ų98126 Ų12669%0.68573%0.731SS**THydrogen-bonded Turntrans-8710.1-167.456.70000115.4C608C608-S610 PolarHBondContact O-N 2.78Å
611K59.7Low59.4Low186 Ų186122.9 Ų122.981%0.80973%0.73SS**THydrogen-bonded Turntrans-132.516-175-73-163.6172.2-173.50116G609 N613G609-K611 VanDerWaalsContact C-N 3.34Å; G609-K611 PolarHBondContact O-N 2.98Å; K611-N613 PolarHBondContact O-N 2.9Å
612D58.7Low58.8Low151 Ų151123.1 Ų123.181%0.80774%0.741SS**  trans-77.249176.6-64.6-7.9000111.9I614D612-I614 PolarHBondContact O-N 2.69Å
613N54Low58.5Low119 Ų119125.7 Ų125.764%0.63675%0.753SS**  trans-76.790.6-164.3-162.7-62.5000112.4K611 K615K611-N613 PolarHBondContact O-N 2.9Å; N613-K615 PolarHBondContact O-N 3.13Å; N613-K615 VanDerWaalsContact O-N 3.1Å
614I58.7Low58.5Low147 Ų147126.8 Ų126.875%0.75475%0.753SS**SBendtrans55.247.6130.9-46.7158.4000114.2D612D612-I614 PolarHBondContact O-N 2.69Å
615K66.2Low58.4Low210 Ų210129.1 Ų129.191%0.91376%0.76SS**  trans-112.919.3166.6-67.4-176.2-178.2-178.40113.3N613N613-K615 PolarHBondContact O-N 3.13Å; N613-K615 VanDerWaalsContact O-N 3.1Å
616H53.9Low58.8Low157 Ų157124.9 Ų124.973%0.72775%0.747SS**  trans-117.4111-166.9-177.8-115.3000112.4P618H616-P618 VanDerWaalsContact CE1-CG 3.47Å; H616-P618 WeakPolarHBondContact CE1-CG 3.05Å
617V56.6Low58.8Low146 Ų146129.5 Ų129.589%0.88575%0.75SS**  trans-135.792.5170-177.70000109.3
618P55.7Low59.3Low87 Ų87130.5 Ų130.557%0.56575%0.754SS**  trans-91.9130170.635.4-32.9000110.8H616 G620H616-P618 VanDerWaalsContact CE1-CG 3.47Å; H616-P618 WeakPolarHBondContact CE1-CG 3.05Å; P618-G620 PolarHBondContact O-N 2.92Å
619G49.1Very low59.9Low89 Ų89130.2 Ų130.292%0.91875%0.751SS**  trans-78.2101.7174.500000112.8
620G46.5Very low60.6Low75 Ų75131.8 Ų131.877%0.77375%0.748SS**  trans95.1153.7155.300000118.3P618P618-G620 PolarHBondContact O-N 2.92Å
621G53.8Low60.9Low69 Ų69133.9 Ų133.971%0.71175%0.751SS**  trans84.8107155.200000118.2
622S47.8Very low61.4Low119 Ų119130.2 Ų130.283%0.83274%0.74SS**  trans56.3120.1160.354.30000118.6Q624S622-Q624 PolarHBondContact O-N 3.01Å
623V58Low61.8Low141 Ų141127.8 Ų127.886%0.85574%0.735SS**  trans-59.7120.4175.9-178.40000111.1I625V623-I625 HydrophobicContact CG1-CG1 4.15Å
624Q61.3Low62.2Low173 Ų173131.4 Ų131.481%0.80875%0.745SS**  trans-107.399.4176.8-173.5169.692.300110.6S622 V626S622-Q624 PolarHBondContact O-N 3.01Å; Q624-V626 HydrophobicContact CG-CG2 4.25Å; Q624-V626 PolarHBondContact O-N 2.65Å
625I65.3Low62.6Low152 Ų152129.8 Ų129.878%0.77974%0.742SS**  trans-77.9103.1176.5-57.3178.9000109V623 Y627V623-I625 HydrophobicContact CG1-CG1 4.15Å; I625-Y627 PolarHBondContact O-N 3.13Å
626V73.9Confident62.4Low95 Ų95125 Ų12558%0.57673%0.73SS**  trans-83.690.9179.6179.50000110.3Q624 K628Q624-V626 HydrophobicContact CG-CG2 4.25Å; Q624-V626 PolarHBondContact O-N 2.65Å; V626-K628 HydrophobicContact CG1-CD 4.2Å; V626-K628 HydrophobicContact CG1-CG 3.97Å; V626-K628 PolarHBondContact O-N 2.81Å; V626-K628 VanDerWaalsContact O-N 3.13Å
627Y68Low62.9Low201 Ų201122.8 Ų122.879%0.78873%0.733SS**  trans-73.399.1168.4-176.1-98.5000110.3I625 P629I625-Y627 PolarHBondContact O-N 3.13Å; Y627-P629 HydrophobicContact CE1-CB 3.99Å; Y627-P629 HydrophobicContact CE1-CG 4Å
628K74.9Confident63.2Low171 Ų171125.1 Ų125.174%0.74373%0.731SS**  trans-106.9104.2164.8-80.5178.9178.5-179.10108.7V626V626-K628 HydrophobicContact CG1-CD 4.2Å; V626-K628 HydrophobicContact CG1-CG 3.97Å; V626-K628 PolarHBondContact O-N 2.81Å; V626-K628 VanDerWaalsContact O-N 3.13Å
629P77.8Confident63.4Low85 Ų85126 Ų12655%0.55274%0.737SS**  trans-64.3138.5172.628.5-32.7000109Y627Y627-P629 HydrophobicContact CE1-CB 3.99Å; Y627-P629 HydrophobicContact CE1-CG 4Å
630V72.7Confident63.7Low97 Ų97125 Ų12559%0.58873%0.727SS**  trans-89.8118.6173.8-174.60000108.5K607 L632K607-V630 VanDerWaalsContact NZ-CG1 3.32Å; V630-L632 PolarHBondContact O-N 3.31Å
631D66.5Low64Low141 Ų141126.2 Ų126.275%0.75472%0.724SS**  trans-59104.8178.7-77.5-48.7000111.8S633D631-S633 VanDerWaalsContact C-N 3.27Å
632L70.3Confident64.2Low109 Ų109130.3 Ų130.357%0.57173%0.729SS**  trans-91.314.5170.5-67.2176.5000112.1V630 K634 V635V630-L632 PolarHBondContact O-N 3.31Å; L632-K634 PolarHBondContact O-N 2.79Å; L632-V635 HydrophobicContact CB-CG2 4.26Å; L632-V635 HydrophobicContact CD2-CG2 4.14Å; L632-V635 WeakPolarHBondContact O-CB 3.31Å; L632-V635 PolarHBondContact O-N 3.06Å
633S67Low64.6Low101 Ų101127.1 Ų127.171%0.70672%0.715SS**THydrogen-bonded Turntrans-64-0.2-170.454.50000116.2D631D631-S633 VanDerWaalsContact C-N 3.27Å
634K62.6Low64.7Low194 Ų194128 Ų12884%0.84371%0.714SS**THydrogen-bonded Turntrans-112.4-0.8171.8-65.8-176.3179.3178.10114.2L632 T636L632-K634 PolarHBondContact O-N 2.79Å; K634-T636 PolarHBondContact O-N 3.38Å
635V66.8Low64.8Low114 Ų114126.2 Ų126.269%0.69171%0.709SS**  trans-78107174.6-178.30000109L632L632-V635 HydrophobicContact CB-CG2 4.26Å; L632-V635 HydrophobicContact CD2-CG2 4.14Å; L632-V635 WeakPolarHBondContact O-CB 3.31Å; L632-V635 PolarHBondContact O-N 3.06Å
636T62.6Low65.1Low108 Ų108127.5 Ų127.566%0.66371%0.712SS**  trans-107.3126.2176.750.40000110.9K634 K638K634-T636 PolarHBondContact O-N 3.38Å; T636-K638 PolarHBondContact O-N 2.85Å
637S64.8Low65Low112 Ų112130.2 Ų130.278%0.78372%0.718SS**  trans-70.2117.1173.744.70000110.2C639S637-C639 PolarHBondContact O-N 2.81Å
638K61.8Low65.2Low195 Ų195129.9 Ų129.985%0.84872%0.72SS**  trans-794.1174.6-67.3-72.3-175.3175.70113.7T636 G640T636-K638 PolarHBondContact O-N 2.85Å; K638-G640 PolarHBondContact O-N 2.96Å
639C59.8Low65.1Low104 Ų104126.3 Ų126.370%0.70372%0.715SS**  trans-81.1103.4178.6-168.70000110.4S637 S641S637-C639 PolarHBondContact O-N 2.81Å; C639-S641 PolarHBondContact O-N 2.84Å
640G55.1Low64.7Low68 Ų68126.2 Ų126.270%0.70173%0.729SS**  trans-89.958.9-172.800000115.4K638 L642K638-G640 PolarHBondContact O-N 2.96Å; G640-L642 VanDerWaalsContact C-N 3.28Å; G640-L642 PolarHBondContact O-N 2.94Å
641S53.9Low64.8Low102 Ų102125.2 Ų125.271%0.71374%0.738SS**  trans-87.464.4167.246.40000111.2C639 G643C639-S641 PolarHBondContact O-N 2.84Å; S641-G643 PolarHBondContact O-N 3.3Å
642L57.2Low65Low154 Ų154122.1 Ų122.181%0.80674%0.74SS**  trans-65.9123.5-177-64.1175.8000111.6G640 I645G640-L642 VanDerWaalsContact C-N 3.28Å; G640-L642 PolarHBondContact O-N 2.94Å; L642-I645 HydrophobicContact CD2-CD1 4.36Å
643G56.7Low65.3Low52 Ų52123.2 Ų123.254%0.53674%0.742SS.*SBendtrans-180-7717700000113S641S641-G643 PolarHBondContact O-N 3.3Å
644N58.9Low65.5Low159 Ų159123.9 Ų123.985%0.8574%0.741SS**  trans-109.134.8-157.8-63.33.2000114.9H646N644-H646 PolarHBondContact O-N 3.38Å
645I63.7Low66.2Low136 Ų136120 Ų12070%0.69773%0.727SS**  trans-80.227.9-168-27.7-178.5000114.3L642 H647L642-I645 HydrophobicContact CD2-CD1 4.36Å; I645-H647 VanDerWaalsContact C-N 3.35Å; I645-H647 PolarHBondContact O-N 2.82Å
646H73Confident66.7Low179 Ų179120.8 Ų120.883%0.82973%0.731SS**  trans-92.118.8-177.7-76.7107.1000114.4N644 K648N644-H646 PolarHBondContact O-N 3.38Å; H646-K648 PolarHBondContact O-N 3.29Å
647H71.6Confident67.3Low152 Ų152123.8 Ų123.870%0.70474%0.735SS**  trans-74.7116.9178.7-175.4-123.4000112I645 P649I645-H647 VanDerWaalsContact C-N 3.35Å; I645-H647 PolarHBondContact O-N 2.82Å; H647-P649 VanDerWaalsContact O-CD 3.28Å; H647-P649 WeakPolarHBondContact O-CD 3.43Å
648K71.9Confident67.7Low195 Ų195123.8 Ų123.885%0.84874%0.735SS**  trans-100.994.6167.7-69.3-73.3-172.51760108.8H646 G650H646-K648 PolarHBondContact O-N 3.29Å; K648-G650 PolarHBondContact O-N 3.32Å
649P72.3Confident68.6Low96 Ų96122.5 Ų122.562%0.62373%0.732SS**  trans-65.8117.9173.526.1-32.2000109.7H647 G651H647-P649 VanDerWaalsContact O-CD 3.28Å; H647-P649 WeakPolarHBondContact O-CD 3.43Å; P649-G651 PolarHBondContact O-N 3.35Å
650G70.2Confident69.2Low83 Ų83126.9 Ų126.986%0.85674%0.739SS**  trans-73108.5173.400000110.7K648K648-G650 PolarHBondContact O-N 3.32Å
651G74.7Confident70Confident75 Ų75128.8 Ų128.877%0.77373%0.733SS**  trans-82.8140.3172.300000111.7P649P649-G651 PolarHBondContact O-N 3.35Å
652G71.3Confident70.8Confident77 Ų77129.5 Ų129.579%0.79473%0.729SS**  trans-73133.4175.400000112.4
653Q74.8Confident71.4Confident131 Ų131129.1 Ų129.161%0.61272%0.721SS**  trans-91.9112.8175.9-178173.5-8.300109.9E655Q653-E655 HydrophobicContact CG-CG 4.49Å; Q653-E655 PolarHBondContact NE2-OE1 3.32Å
654V71.6Confident72Confident115 Ų115134.4 Ų134.470%0.69773%0.729SS**  trans-120.7107.6176.2-178.40000109.2
655E78.2Confident72.5Confident114 Ų114134.4 Ų134.453%0.53373%0.729SS.*  trans-97107.8177.9-71.3178.2-169.400111.1Q653 K657Q653-E655 HydrophobicContact CG-CG 4.49Å; Q653-E655 PolarHBondContact NE2-OE1 3.32Å; E655-K657 PolarHBondContact O-N 3.22Å; E655-K657 VanDerWaalsContact OE2-CE 3.31Å; E655-K657 WeakPolarHBondContact OE2-CE 3.4Å; E655-K657 IonicContact OE2-NZ 3.87Å; E655-K657 PolarHBondContact OE2-NZ 2.85Å
656V75.6Confident72.8Confident130 Ų130139.2 Ų139.279%0.78874%0.738SS**  trans-87.7107.5171.2-177.70000109.3
657K76.8Confident72.7Confident170 Ų170136.1 Ų136.174%0.73973%0.732SS**  trans-88.1108.2179.5-71.7165.8-177.51590109.8E655 E659E655-K657 PolarHBondContact O-N 3.22Å; E655-K657 VanDerWaalsContact OE2-CE 3.31Å; E655-K657 WeakPolarHBondContact OE2-CE 3.4Å; E655-K657 IonicContact OE2-NZ 3.87Å; E655-K657 PolarHBondContact OE2-NZ 2.85Å; K657-E659 PolarHBondContact O-N 2.77Å
658S73.5Confident72.3Confident113 Ų113137.2 Ų137.279%0.7974%0.737SS**  trans-83.493.4179.340.60000112
659E79.7Confident72.2Confident167 Ų167133.2 Ų133.278%0.7873%0.733SS**  trans-66.9140.4169.1-171.8169.8176.100111.2K657 L661K657-E659 PolarHBondContact O-N 2.77Å; E659-L661 PolarHBondContact O-N 2.97Å; E659-L661 VanDerWaalsContact O-N 3.08Å
660K73.4Confident72Confident196 Ų196138.7 Ų138.785%0.85275%0.747SS**  trans-83.184.3-175.6-71.2-173177.3-177.60111.8
661L71.9Confident71.8Confident108 Ų108141.1 Ų141.157%0.56574%0.739SS**  trans-85.8111.5169.8-64.8175.3000110.9E659 F663E659-L661 PolarHBondContact O-N 2.97Å; E659-L661 VanDerWaalsContact O-N 3.08Å; L661-F663 HydrophobicContact CB-CD2 4.1Å; L661-F663 HydrophobicContact CB-CE1 4.38Å; L661-F663 HydrophobicContact CB-CE2 3.45Å; L661-F663 VanDerWaalsContact CB-CE2 3.45Å; L661-F663 HydrophobicContact CB-CZ 3.62Å; L661-F663 HydrophobicContact CD1-CE2 4.23Å; L661-F663 HydrophobicContact CD1-CZ 3.76Å; L661-F663 HydrophobicContact CG-CE2 4.5Å; L661-F663 HydrophobicContact CG-CZ 4.33Å; L661-F663 VanDerWaalsContact O-CD2 3.28Å; L661-F663 WeakPolarHBondContact O-CD2 3.04Å; L661-F663 PolarHBondContact O-N 3.27Å
662D69.2Low71.3Confident118 Ų118141.1 Ų141.163%0.63174%0.739SS**  trans-85.282.9-178.4-92.6-46.6000112.4K664D662-K664 HydrophobicContact CB-CD 4.43Å; D662-K664 PolarHBondContact O-N 2.9Å; D662-K664 WeakPolarHBondContact OD1-CE 3.44Å; D662-K664 IonicContact OD1-NZ 3.29Å; D662-K664 PolarHBondContact OD1-NZ 2.99Å; D662-K664 IonicContact OD2-NZ 3.72Å
663F69.8Low70.8Confident146 Ų146141.4 Ų141.464%0.6473%0.729SS**  trans-73.425.4-177.1-65.1-72.1000116.2L661 D665 V667L661-F663 HydrophobicContact CB-CD2 4.1Å; L661-F663 HydrophobicContact CB-CE1 4.38Å; L661-F663 HydrophobicContact CB-CE2 3.45Å; L661-F663 VanDerWaalsContact CB-CE2 3.45Å; L661-F663 HydrophobicContact CB-CZ 3.62Å; L661-F663 HydrophobicContact CD1-CE2 4.23Å; L661-F663 HydrophobicContact CD1-CZ 3.76Å; L661-F663 HydrophobicContact CG-CE2 4.5Å; L661-F663 HydrophobicContact CG-CZ 4.33Å; L661-F663 VanDerWaalsContact O-CD2 3.28Å; L661-F663 WeakPolarHBondContact O-CD2 3.04Å; L661-F663 PolarHBondContact O-N 3.27Å; F663-D665 PolarHBondContact O-N 3.15Å; F663-V667 HydrophobicContact CB-CG2 3.93Å; F663-V667 HydrophobicContact CD1-CG2 4.48Å
664K69.1Low70.3Confident163 Ų163141.4 Ų141.471%0.70973%0.733SS**THydrogen-bonded Turntrans-70.7-25-158.6-77.9160.9176.2156.10116.9D662D662-K664 HydrophobicContact CB-CD 4.43Å; D662-K664 PolarHBondContact O-N 2.9Å; D662-K664 WeakPolarHBondContact OD1-CE 3.44Å; D662-K664 IonicContact OD1-NZ 3.29Å; D662-K664 PolarHBondContact OD1-NZ 2.99Å; D662-K664 IonicContact OD2-NZ 3.72Å
665D70.1Confident69.9Low158 Ų158142.5 Ų142.585%0.84574%0.735SS**THydrogen-bonded Turntrans-106.4-9.2-169.2-82.5-57.2000116.6F663F663-D665 PolarHBondContact O-N 3.15Å
666R69.6Low68.8Low238 Ų238144.4 Ų144.490%0.89875%0.749SS**THydrogen-bonded Turntrans-137.2-1.5-167.4-68.1-166.7175-147.5-3.5118Q668R666-Q668 PolarHBondContact O-N 3.27Å
667V70.9Confident68.2Low113 Ų113144.6 Ų144.669%0.68574%0.744SS**  trans-91.991.7-179.6-174.90000110.8F663F663-V667 HydrophobicContact CB-CG2 3.93Å; F663-V667 HydrophobicContact CD1-CG2 4.48Å
668Q64.2Low67.5Low176 Ų176142.7 Ų142.782%0.82275%0.747SS**  trans-122.1126.5168.3-72.1-174.4-11.900110.5R666 K670R666-Q668 PolarHBondContact O-N 3.27Å; Q668-K670 PolarHBondContact O-N 2.86Å
669S68.4Low67Low110 Ų110144.5 Ų144.577%0.76974%0.742SS**  trans-78.1115.5176.550.10000111.2I671S669-I671 PolarHBondContact O-N 3.08Å; S669-I671 VanDerWaalsContact O-N 3.08Å
670K69.8Low66.4Low211 Ų211142.4 Ų142.492%0.91774%0.741SS**  trans-80.727.9-178.4-60.7-174.6177.5-177.60114.6Q668Q668-K670 PolarHBondContact O-N 2.86Å
671I65.1Low66.1Low134 Ų134137.8 Ų137.869%0.68773%0.731SS**  trans-113.999.9-174.1-56176.8000108.8S669S669-I671 PolarHBondContact O-N 3.08Å; S669-I671 VanDerWaalsContact O-N 3.08Å
672G64.4Low65.6Low75 Ų75135.8 Ų135.877%0.77374%0.737SS**  trans-92.592.8171.800000110.1
673S60.4Low65.7Low83 Ų83133.8 Ų133.858%0.5874%0.743SS**  trans-139.929.6-174720000113.9
674L64.2Low65.4Low131 Ų131130.1 Ų130.169%0.68675%0.747SS**  trans-109.52.4-179.2-63.8-178.6000113.8N676 I677L674-N676 PolarHBondContact O-N 3.16Å; L674-I677 HydrophobicContact CB-CD1 4.31Å; L674-I677 VanDerWaalsContact O-CD1 3.23Å; L674-I677 WeakPolarHBondContact O-CD1 3.37Å; L674-I677 WeakPolarHBondContact O-CG1 3.24Å
675D63.2Low65.2Low138 Ų138129.5 Ų129.574%0.73875%0.752SS**THydrogen-bonded Turntrans-80.2-0.7-173.7-53.2-52.7000114.1
676N56Low65.1Low155 Ų155131.2 Ų131.283%0.82975%0.752SS**THydrogen-bonded Turntrans-102.423.1-176.2-68.8-24.4000114L674 T678L674-N676 PolarHBondContact O-N 3.16Å; N676-T678 PolarHBondContact O-N 3.07Å
677I63.1Low65.1Low133 Ų133126.5 Ų126.568%0.68274%0.738SS**  trans-80-0.7-174.1-65.5170.5000112.9L674 H679L674-I677 HydrophobicContact CB-CD1 4.31Å; L674-I677 VanDerWaalsContact O-CD1 3.23Å; L674-I677 WeakPolarHBondContact O-CD1 3.37Å; L674-I677 WeakPolarHBondContact O-CG1 3.24Å; I677-H679 PolarHBondContact O-N 3.24Å
678T60.6Low65.4Low131 Ų131128.1 Ų128.180%0.80474%0.741SS**  trans-73.839.3-175.7-31.90000115N676 V680N676-T678 PolarHBondContact O-N 3.07Å; T678-V680 PolarHBondContact O-N 2.94Å
679H64.6Low65.8Low150 Ų150123.5 Ų123.569%0.69472%0.719SS**  trans-88.693174179.6-87.1000111.3I677I677-H679 PolarHBondContact O-N 3.24Å
680V66Low66.2Low123 Ų123121.6 Ų121.675%0.74570%0.703SS**  trans-80.9121.8161.4-179.20000107.8T678 G682T678-V680 PolarHBondContact O-N 2.94Å; V680-G682 PolarHBondContact O-N 3.22Å
681P66.8Low66.4Low99 Ų99117.3 Ų117.364%0.64369%0.686SS**  trans-68.3108.5-179.427-33.3000110.7G683P681-G683 PolarHBondContact O-N 3.33Å
682G61.8Low66.9Low67 Ų67119.4 Ų119.469%0.69169%0.69SS**  trans-71.758.8178.200000113.9V680V680-G682 PolarHBondContact O-N 3.22Å
683G70.8Confident67.2Low75 Ų75121.6 Ų121.677%0.77368%0.684SS**  trans-90.113017500000112P681P681-G683 PolarHBondContact O-N 3.33Å
684G63.8Low67.6Low70 Ų70122.2 Ų122.272%0.72268%0.684SS**  trans155-22.6179.700000113.5K686G684-K686 PolarHBondContact O-N 3.02Å
685N64.8Low67.7Low150 Ų150123 Ų12380%0.80268%0.682SS**  trans-74.514.5-168-48.5-8.3000115.4K687N685-K687 PolarHBondContact O-N 3.15Å; N685-K687 VanDerWaalsContact O-N 3.13Å
686K69.2Low67.9Low194 Ų194128.5 Ų128.584%0.84369%0.692SS**  trans-81.691.7-179.5-72.7-170176.6-174.10110.2G684 I688G684-K686 PolarHBondContact O-N 3.02Å; K686-I688 PolarHBondContact O-N 3.32Å
687K70Confident68.3Low139 Ų139129 Ų12960%0.60469%0.689SS**PPolyproline II helixtrans-54.8127.3155.9-86.7-165.1169.6-161.80108.5A103 E104 N685 E689A103-K687 PolarHBondContact O-NZ 3Å; E104-K687 WeakPolarHBondContact O-CD 3.4Å; E104-K687 PolarHBondContact O-NZ 2.99Å; N685-K687 PolarHBondContact O-N 3.15Å; N685-K687 VanDerWaalsContact O-N 3.13Å; K687-E689 HydrophobicContact CB-CG 4.13Å
688I76.4Confident68.3Low146 Ų146129.3 Ų129.375%0.74969%0.693SS**PPolyproline II helixtrans-98.3121.7159.3-62.8177.6000105.4K686K686-I688 PolarHBondContact O-N 3.32Å
689E73Confident68.2Low80 Ų80126.5 Ų126.537%0.37468%0.683SS.*PPolyproline II helixtrans-100.4131.6-172.9-44.8-165.6130.600106.8E105 A106 K687E105-E689 HydrophobicContact CB-CB 3.69Å; E105-E689 HydrophobicContact CB-CG 4.48Å; E105-E689 HydrophobicContact CG-CB 3.43Å; E105-E689 VanDerWaalsContact CG-CB 3.43Å; E105-E689 HydrophobicContact CG-CG 4.29Å; E105-E689 PolarHBondContact N-OE1 3.12Å; E105-E689 WeakPolarHBondContact OE2-CB 3.45Å; A106-E689 PolarHBondContact N-OE2 2.93Å; K687-E689 HydrophobicContact CB-CG 4.13Å
690T76.4Confident68.1Low69 Ų69128.5 Ų128.542%0.42369%0.69SS.*  trans-135.765.7-157.5-46.70000112.5E104 E105 K692E104-T690 WeakPolarHBondContact OE1-CA 3.17Å; E104-T690 PolarHBondContact OE1-N 2.89Å; E105-T690 PolarHBondContact OE2-N 2.65Å; T690-K692 HydrophobicContact CG2-CG 4.35Å; T690-K692 PolarHBondContact O-N 2.96Å
691H74.2Confident67.9Low121 Ų121126.7 Ų126.756%0.5669%0.687SS**  trans-55.486.9172.2-82.7-0.9000114.9E104 E105 L693E104-H691 IonicContact OE2-CE1 3.87Å; E104-H691 IonicContact OE2-CG 3.38Å; E104-H691 PolarHBondContact OE2-N 3.37Å; E104-H691 IonicContact OE2-ND1 3.78Å; E104-H691 PolarHBondContact OE2-ND1 2.79Å; E105-H691 VanDerWaalsContact CB-CE1 3.44Å; E105-H691 WeakPolarHBondContact CB-CE1 3.12Å; E105-H691 IonicContact OE1-CD2 3.18Å; E105-H691 PolarHBondContact OE1-CD2 3.36Å; E105-H691 IonicContact OE1-CG 2.9Å; E105-H691 IonicContact OE1-NE2 2.78Å; E105-H691 IonicContact OE2-CD2 2.78Å; E105-H691 IonicContact OE2-CE1 2.67Å; E105-H691 IonicContact OE2-CG 2.69Å; E105-H691 VanDerWaalsContact OE2-CG 3.26Å; E105-H691 PolarHBondContact OE2-N 3.21Å; E105-H691 IonicContact OE2-ND1 3.97Å; E105-H691 PolarHBondContact OE2-ND1 2.89Å; H691-L693 PolarHBondContact O-N 2.94Å; H691-L693 VanDerWaalsContact O-N 3.15Å
692K75.2Confident67.7Low179 Ų179132.3 Ų132.378%0.77870%0.701SS**  trans-76.892.4174.6-73.4179.7-178.6173.70111.6T690 T694T690-K692 HydrophobicContact CG2-CG 4.35Å; T690-K692 PolarHBondContact O-N 2.96Å; K692-T694 PolarHBondContact O-N 2.92Å
693L71.3Confident67.8Low121 Ų121133.5 Ų133.563%0.63470%0.696SS**  trans-71.6110.9175.4-65.6172.6000112.1H691 F695H691-L693 PolarHBondContact O-N 2.94Å; H691-L693 VanDerWaalsContact O-N 3.15Å; L693-F695 VanDerWaalsContact C-N 3.33Å; L693-F695 HydrophobicContact CB-CD1 4.27Å; L693-F695 HydrophobicContact CB-CD2 4.33Å; L693-F695 HydrophobicContact CB-CE1 3.67Å; L693-F695 HydrophobicContact CB-CE2 3.74Å; L693-F695 HydrophobicContact CB-CZ 3.38Å; L693-F695 HydrophobicContact CD1-CE1 3.88Å; L693-F695 HydrophobicContact CD1-CZ 3.7Å; L693-F695 HydrophobicContact CG-CE1 4.39Å; L693-F695 HydrophobicContact CG-CZ 4.19Å; L693-F695 WeakPolarHBondContact O-CD2 3.48Å; L693-F695 WeakPolarHBondContact O-CE2 3.49Å; L693-F695 PolarHBondContact O-N 3.49Å; L693-F695 VanDerWaalsContact O-N 3.07Å
694T69.1Low67.2Low95 Ų95137.5 Ų137.558%0.58370%0.699SS**  trans-85.264.2-179.445.50000112.8K692 R696K692-T694 PolarHBondContact O-N 2.92Å; T694-R696 PolarHBondContact O-N 2.98Å
695F66.1Low66.9Low149 Ų149141.6 Ų141.665%0.65470%0.699SS**Hα-helixtrans-55-21.2-176.2-48.9-78.3000115.4L693 A699L693-F695 VanDerWaalsContact C-N 3.33Å; L693-F695 HydrophobicContact CB-CD1 4.27Å; L693-F695 HydrophobicContact CB-CD2 4.33Å; L693-F695 HydrophobicContact CB-CE1 3.67Å; L693-F695 HydrophobicContact CB-CE2 3.74Å; L693-F695 HydrophobicContact CB-CZ 3.38Å; L693-F695 HydrophobicContact CD1-CE1 3.88Å; L693-F695 HydrophobicContact CD1-CZ 3.7Å; L693-F695 HydrophobicContact CG-CE1 4.39Å; L693-F695 HydrophobicContact CG-CZ 4.19Å; L693-F695 WeakPolarHBondContact O-CD2 3.48Å; L693-F695 WeakPolarHBondContact O-CE2 3.49Å; L693-F695 PolarHBondContact O-N 3.49Å; L693-F695 VanDerWaalsContact O-N 3.07Å; F695-A699 WeakPolarHBondContact O-CB 3.33Å
696R66Low66.5Low253 Ų253138.7 Ų138.796%0.95571%0.705SS**Hα-helixtrans-81.5-19-168.1-55.1-176.588158.34.3114.7T694T694-R696 PolarHBondContact O-N 2.98Å
697E65.1Low66.1Low164 Ų164133.3 Ų133.377%0.76670%0.697SS**Hα-helixtrans-104.8-39.7-173.1-167.5167-164.200112.3
698N62.2Low65.7Low140 Ų140135.4 Ų135.475%0.74971%0.709SS**Hα-helixtrans-85.2-16.5179.2-71.1-23.7000114K700N698-K700 VanDerWaalsContact C-N 3.31Å; N698-K700 PolarHBondContact O-N 3.28Å
699A60Low65.1Low72 Ų72134.9 Ų134.960%0.59571%0.706SS**  trans-79.373.6178.700000112.2F695 A701F695-A699 WeakPolarHBondContact O-CB 3.33Å; A699-A701 PolarHBondContact O-N 3.36Å
700K60.9Low64.8Low193 Ų193136.4 Ų136.484%0.83972%0.721SS**  trans-60.4106.5168.3-69.3-171.1177.6-1750109.8N698 K702N698-K700 VanDerWaalsContact C-N 3.31Å; N698-K700 PolarHBondContact O-N 3.28Å; K700-K702 PolarHBondContact O-N 2.95Å
701A63.2Low64.1Low84 Ų84143.2 Ų143.269%0.69474%0.74SS**  trans-59.1125.7175.700000110A699 T703A699-A701 PolarHBondContact O-N 3.36Å; A701-T703 PolarHBondContact O-N 3.04Å; A701-T703 VanDerWaalsContact O-N 3.07Å
702K63.2Low63.4Low217 Ų217146.4 Ų146.494%0.94375%0.752SS**  trans-79.226.3174-69.8-174.3174-179.60112.8K700K700-K702 PolarHBondContact O-N 2.95Å
703T62.5Low62.4Low93 Ų93142.8 Ų142.857%0.57175%0.749SS**SBendtrans-102.5121.3-179.8-50.80000108.2A701 H705A701-T703 PolarHBondContact O-N 3.04Å; A701-T703 VanDerWaalsContact O-N 3.07Å; T703-H705 PolarHBondContact O-N 3.45Å
704D57.7Low61.9Low158 Ų158142.7 Ų142.785%0.84576%0.756SS**SBendtrans-76.254.1-167.8-170.728.8000113.8
705H57.9Low60.5Low156 Ų156144.8 Ų144.872%0.72277%0.768SS**  trans-129.475.3-175.1-62.7-12.5000109.4T703 A707T703-H705 PolarHBondContact O-N 3.45Å; H705-A707 VanDerWaalsContact C-N 3.3Å; H705-A707 PolarHBondContact O-N 2.92Å
706G57.6Low59.8Low90 Ų90144 Ų14493%0.92878%0.776SS**  trans-70.473.5-175.600000114.4
707A60.1Low58.7Low81 Ų81137.3 Ų137.367%0.66977%0.767SS**  trans-103.2106.7169.900000110.3H705 I709H705-A707 VanDerWaalsContact C-N 3.3Å; H705-A707 PolarHBondContact O-N 2.92Å; A707-I709 PolarHBondContact O-N 3.3Å
708E60.9Low57.6Low183 Ų183132 Ų13286%0.85576%0.756SS**  trans-71.3106.3171.2-66.9-174.4161.300110V710E708-V710 PolarHBondContact O-N 3.07Å
709I65.1Low56.5Low134 Ų134133.1 Ų133.169%0.68776%0.763SS**  trans-82.885.9176.3-54-178.7000108.9A707 Y711A707-I709 PolarHBondContact O-N 3.3Å; I709-Y711 HydrophobicContact CG2-CD2 3.88Å; I709-Y711 HydrophobicContact CG2-CE2 3.66Å; I709-Y711 PolarHBondContact O-N 3.2Å
710V65.6Low55.8Low113 Ų113135.9 Ų135.969%0.68577%0.772SS**  trans-69.897.2175.8-1790000110E708 K712E708-V710 PolarHBondContact O-N 3.07Å; V710-K712 VanDerWaalsContact C-N 3.35Å; V710-K712 PolarHBondContact O-N 3.07Å
711Y62.6Low54.9Low212 Ų212131.3 Ų131.383%0.83177%0.765SS**  trans-7187.5170.2-90.7-88.3000111I709 S713I709-Y711 HydrophobicContact CG2-CD2 3.88Å; I709-Y711 HydrophobicContact CG2-CE2 3.66Å; I709-Y711 PolarHBondContact O-N 3.2Å; Y711-S713 PolarHBondContact O-N 3.04Å
712K59.1Low54.4Low188 Ų188133.6 Ų133.682%0.81777%0.773SS**  trans-70.6109.5158.9-89.7-171.1167.7-171.60109V710V710-K712 VanDerWaalsContact C-N 3.35Å; V710-K712 PolarHBondContact O-N 3.07Å
713S54.6Low53.8Low102 Ų102134 Ų13471%0.71377%0.768SS**  trans-65.3134.3166.1420000110.5Y711Y711-S713 PolarHBondContact O-N 3.04Å
714P60.1Low53.2Low120 Ų120137.4 Ų137.478%0.77978%0.777SS**  trans-62.1134.5168.9-23.434.8000111V716P714-V716 PolarHBondContact O-N 2.95Å
715V40.2Very low52.6Low138 Ų138138.4 Ų138.484%0.83678%0.782SS**  trans-84.2105.7177.3176.60000109.3
716V51.9Low52.1Low133 Ų133134.6 Ų134.681%0.80677%0.773SS**  trans-136.9108.8164.2-175.40000108.6P714P714-V716 PolarHBondContact O-N 2.95Å
717S41.4Very low51.4Low112 Ų112138.4 Ų138.478%0.78377%0.772SS**  trans-75.7141.9167.8-49.40000109.5
718G42.8Very low50.9Low52 Ų52140.5 Ų140.554%0.53678%0.776SS.*  trans172.626.6-172.600000118.7T720G718-T720 PolarHBondContact O-N 3.42Å
719D38.8Very low50Low165 Ų165137.7 Ų137.788%0.88278%0.777SS**  trans50.930.4140.8-48.7-10.7000120.1
720T45.1Very low49.1Very low130 Ų130137 Ų13780%0.79878%0.783SS**  trans-132.3142.916451.80000111.5G718 P722G718-T720 PolarHBondContact O-N 3.42Å; T720-P722 WeakPolarHBondContact O-CD 3.23Å
721S42.4Very low48.3Very low97 Ų97138 Ų13868%0.67879%0.79SS**  trans-103.9113.3-168.7-173.80000112.3R723S721-R723 PolarHBondContact O-N 2.94Å
722P53.5Low47.8Very low132 Ų132131.4 Ų131.486%0.85779%0.786SS**  trans-74.691.1176.1-14.631.1000110.8T720T720-P722 WeakPolarHBondContact O-CD 3.23Å
723R51Low47.4Very low224 Ų224127.5 Ų127.585%0.84578%0.783SS**  trans-84.5148175.4-76.8-176.7168.7174.9-4.8111.8S721S721-R723 PolarHBondContact O-N 2.94Å
724H49.7Very low47.5Very low166 Ų166129.4 Ų129.477%0.76978%0.783SS**  trans7676.9160.1-136-99.1000118.2S726H724-S726 PolarHBondContact O-N 3.04Å
725L44.9Very low47Very low179 Ų179129.2 Ų129.294%0.93778%0.776SS**  trans-63.7114153.8-66.8172.6000109.3
726S46.7Very low47.6Very low76 Ų76130.4 Ų130.453%0.53177%0.774SS.*  trans-125.2144.2169.357.90000110.8H724 V728H724-S726 PolarHBondContact O-N 3.04Å; S726-V728 PolarHBondContact O-N 3.24Å
727N42.4Very low47.7Very low170 Ų170130 Ų13091%0.90977%0.772SS**  trans-82.381.5-163-65.1-29.3000113.1
728V50.2Low48.2Very low125 Ų125131.2 Ų131.276%0.75877%0.77SS**SBendtrans-128.7141.9160.3-70.30000110S726 S730S726-V728 PolarHBondContact O-N 3.24Å; V728-S730 PolarHBondContact O-N 3.4Å; V728-S730 VanDerWaalsContact O-N 3.16Å
729S42.4Very low48.6Very low124 Ų124131.7 Ų131.787%0.86777%0.765SS**  trans-60.9112.8-163.3-56.20000114.3T731S729-T731 PolarHBondContact O-N 3.4Å; S729-T731 VanDerWaalsContact O-N 3.08Å
730S46.2Very low49.5Very low118 Ų118128.1 Ų128.183%0.82575%0.751SS**  trans-69.6101.1166-48.80000110.4V728 G732V728-S730 PolarHBondContact O-N 3.4Å; V728-S730 VanDerWaalsContact O-N 3.16Å; S730-G732 PolarHBondContact O-N 3.03Å
731T48.7Very low50.3Low135 Ų135129 Ų12983%0.82875%0.746SS**  trans-59.8117.8155.446.10000107.4S729 S733S729-T731 PolarHBondContact O-N 3.4Å; S729-T731 VanDerWaalsContact O-N 3.08Å; T731-S733 PolarHBondContact O-N 2.85Å
732G52.1Low51.1Low73 Ų73130 Ų13075%0.75374%0.743SS**  trans-53.7127.9-16300000113.7S730 I734S730-G732 PolarHBondContact O-N 3.03Å; G732-I734 PolarHBondContact O-N 3.23Å; G732-I734 VanDerWaalsContact O-N 3.15Å
733S51.5Low51.7Low107 Ų107126.9 Ų126.975%0.74873%0.728SS**  trans-61.1113.9168.548.60000109.3T731 D735T731-S733 PolarHBondContact O-N 2.85Å; S733-D735 PolarHBondContact O-N 3.43Å; S733-D735 VanDerWaalsContact O-N 3.12Å
734I56.3Low52.8Low141 Ų141120.3 Ų120.372%0.72371%0.713SS**  trans-65.8107.8161.4177.663.6000106.8G732 M736G732-I734 PolarHBondContact O-N 3.23Å; G732-I734 VanDerWaalsContact O-N 3.15Å; I734-M736 VanDerWaalsContact C-N 3.26Å; I734-M736 HydrophobicContact CB-CG 4.47Å; I734-M736 HydrophobicContact CG1-CG 3.86Å; I734-M736 HydrophobicContact CG2-CG 4.06Å; I734-M736 HydrophobicContact CG2-SD 4.29Å; I734-M736 PolarHBondContact O-N 2.81Å
735D49.7Very low54.1Low117 Ų117116.5 Ų116.563%0.62670%0.698SS**  trans-77.581.9-178.2-146.1-33.2000109S733 V737S733-D735 PolarHBondContact O-N 3.43Å; S733-D735 VanDerWaalsContact O-N 3.12Å; D735-V737 PolarHBondContact O-N 2.91Å
736M52.7Low55.9Low162 Ų162110.7 Ų110.780%0.79868%0.675SS**THydrogen-bonded Turntrans-68.96.5-172.1-69.4-179.961.100114I734I734-M736 VanDerWaalsContact C-N 3.26Å; I734-M736 HydrophobicContact CB-CG 4.47Å; I734-M736 HydrophobicContact CG1-CG 3.86Å; I734-M736 HydrophobicContact CG2-CG 4.06Å; I734-M736 HydrophobicContact CG2-SD 4.29Å; I734-M736 PolarHBondContact O-N 2.81Å
737V54.6Low57.7Low126 Ų126112.9 Ų112.976%0.76468%0.681SS**THydrogen-bonded Turntrans-99.7-25.2-167.3-162.70000112.5D735D735-V737 PolarHBondContact O-N 2.91Å
738D50.7Low59.7Low136 Ų136110.8 Ų110.873%0.72767%0.666SS**SBendtrans-110.161-173.2-16113000113.3
739S50.8Low61.5Low63 Ų63108.9 Ų108.944%0.44165%0.654SS.*  trans-148.369.9169.7-80.90000112.2Q741 L742S739-Q741 PolarHBondContact O-N 3.12Å; S739-L742 PolarHBondContact O-N 2.94Å
740P58.4Low63.6Low90 Ų90106.2 Ų106.258%0.58464%0.636SS**Hα-helixtrans-56.4-22.2172.124-34.5000112.8L742 A743 T744P740-L742 VanDerWaalsContact C-N 3.29Å; P740-L742 PolarHBondContact O-N 3.34Å; P740-A743 PolarHBondContact O-N 3.45Å; P740-T744 PolarHBondContact O-N 3.45Å; P740-T744 PolarHBondContact O-OG1 2.84Å
741Q61.5Low65.6Low148 Ų148102.7 Ų102.769%0.69261%0.614SS**Hα-helixtrans-61.6-31.9173.2-66.4-175.2-9.100113.5S739 T744 L745S739-Q741 PolarHBondContact O-N 3.12Å; Q741-T744 WeakPolarHBondContact CA-OG1 3.34Å; Q741-T744 PolarHBondContact O-OG1 2.71Å; Q741-L745 WeakPolarHBondContact O-CB 3.44Å; Q741-L745 WeakPolarHBondContact O-CD1 3.21Å; Q741-L745 VanDerWaalsContact O-CG 3.23Å; Q741-L745 WeakPolarHBondContact O-CG 3.29Å; Q741-L745 PolarHBondContact O-N 2.88Å
742L59.5Low67.5Low118 Ų11898.7 Ų98.762%0.61859%0.591SS**Hα-helixtrans-73.8-34.1176.2-67.2178000111.8S739 P740 L745 A746S739-L742 PolarHBondContact O-N 2.94Å; P740-L742 VanDerWaalsContact C-N 3.29Å; P740-L742 PolarHBondContact O-N 3.34Å; L742-L745 HydrophobicContact CD2-CD1 4.36Å; L742-L745 PolarHBondContact O-N 2.93Å; L742-A746 WeakPolarHBondContact O-CB 3.34Å; L742-A746 PolarHBondContact O-N 2.87Å
743A65.5Low69.1Low67 Ų6798.7 Ų98.755%0.55457%0.574SS**Hα-helixtrans-65.3-45.7171.800000111.1P740 L745 A746 D747P740-A743 PolarHBondContact O-N 3.45Å; A743-L745 VanDerWaalsContact C-N 3.32Å; A743-L745 PolarHBondContact O-N 3.38Å; A743-A746 PolarHBondContact O-N 2.81Å; A743-D747 PolarHBondContact O-N 2.78Å
744T73.5Confident70.8Confident85 Ų8597 Ų9752%0.52157%0.566SS.*Hα-helixtrans-65.4-33.6175.253.50000112.8P740 Q741 D747 E748P740-T744 PolarHBondContact O-N 3.45Å; P740-T744 PolarHBondContact O-OG1 2.84Å; Q741-T744 WeakPolarHBondContact CA-OG1 3.34Å; Q741-T744 PolarHBondContact O-OG1 2.71Å; T744-D747 PolarHBondContact O-N 2.99Å; T744-E748 VanDerWaalsContact O-CB 3.22Å; T744-E748 WeakPolarHBondContact O-CB 3.22Å; T744-E748 PolarHBondContact O-N 2.69Å
745L79Confident72.1Confident87 Ų8797.8 Ų97.846%0.45557%0.565SS.*Hα-helixtrans-69.4-35.4174-78166.7000112.2Q741 L742 A743 E748 V749Q741-L745 WeakPolarHBondContact O-CB 3.44Å; Q741-L745 WeakPolarHBondContact O-CD1 3.21Å; Q741-L745 VanDerWaalsContact O-CG 3.23Å; Q741-L745 WeakPolarHBondContact O-CG 3.29Å; Q741-L745 PolarHBondContact O-N 2.88Å; L742-L745 HydrophobicContact CD2-CD1 4.36Å; L742-L745 PolarHBondContact O-N 2.93Å; A743-L745 VanDerWaalsContact C-N 3.32Å; A743-L745 PolarHBondContact O-N 3.38Å; L745-E748 PolarHBondContact O-N 2.92Å; L745-V749 VanDerWaalsContact O-CB 3.29Å; L745-V749 WeakPolarHBondContact O-CB 3.37Å; L745-V749 VanDerWaalsContact O-CG2 3.22Å; L745-V749 WeakPolarHBondContact O-CG2 3.42Å; L745-V749 PolarHBondContact O-N 3.33Å
746A80.8Confident73.6Confident56 Ų5697.4 Ų97.446%0.46356%0.559SS.*Hα-helixtrans-64.9-42.2172.900000111.8L742 A743 S750L742-A746 WeakPolarHBondContact O-CB 3.34Å; L742-A746 PolarHBondContact O-N 2.87Å; A743-A746 PolarHBondContact O-N 2.81Å; A746-S750 VanDerWaalsContact O-CB 3.27Å; A746-S750 WeakPolarHBondContact O-CB 3.27Å; A746-S750 PolarHBondContact O-N 2.72Å; A746-S750 PolarHBondContact O-OG 3.42Å
747D84.7Confident74.8Confident123 Ų12390 Ų9066%0.65852%0.524SS*.Hα-helixtrans-66.7-40.8173.5-111.20.8000112.2A743 T744 S750 A751A743-D747 PolarHBondContact O-N 2.78Å; T744-D747 PolarHBondContact O-N 2.99Å; D747-S750 PolarHBondContact O-N 3.1Å; D747-A751 WeakPolarHBondContact O-CB 3.22Å; D747-A751 PolarHBondContact O-N 3.38Å
748E85.6Confident75.2Confident125 Ų12590.9 Ų90.958%0.58452%0.524SS*.Hα-helixtrans-69.9-37.4179.4-173.4170-15800112.2T744 L745 S752T744-E748 VanDerWaalsContact O-CB 3.22Å; T744-E748 WeakPolarHBondContact O-CB 3.22Å; T744-E748 PolarHBondContact O-N 2.69Å; L745-E748 PolarHBondContact O-N 2.92Å; E748-S752 WeakPolarHBondContact O-CB 3.5Å; E748-S752 PolarHBondContact O-N 3.29Å; E748-S752 PolarHBondContact O-OG 2.9Å
749V87.7Confident76.4Confident85 Ų8588.7 Ų88.752%0.51551%0.514SS..Hα-helixtrans-66-45170.4168.20000110.4L745 S752 L753L745-V749 VanDerWaalsContact O-CB 3.29Å; L745-V749 WeakPolarHBondContact O-CB 3.37Å; L745-V749 VanDerWaalsContact O-CG2 3.22Å; L745-V749 WeakPolarHBondContact O-CG2 3.42Å; L745-V749 PolarHBondContact O-N 3.33Å; V749-S752 CarbonylContact O-C 3.2Å; V749-S752 WeakPolarHBondContact O-CB 3.22Å; V749-S752 PolarHBondContact O-N 3.07Å; V749-S752 VanDerWaalsContact O-N 3.12Å; V749-L753 HydrophobicContact CG1-CD1 3.92Å; V749-L753 WeakPolarHBondContact O-CD1 3.5Å; V749-L753 PolarHBondContact O-N 2.97Å
750S87.2Confident77.8Confident69 Ų6990 Ų9048%0.48352%0.517SS..Hα-helixtrans-64-42.7178.3-59.30000112.1A746 D747 S752 L753 A754A746-S750 VanDerWaalsContact O-CB 3.27Å; A746-S750 WeakPolarHBondContact O-CB 3.27Å; A746-S750 PolarHBondContact O-N 2.72Å; A746-S750 PolarHBondContact O-OG 3.42Å; D747-S750 PolarHBondContact O-N 3.1Å; S750-S752 VanDerWaalsContact C-N 3.27Å; S750-S752 PolarHBondContact O-N 3Å; S750-L753 PolarHBondContact O-N 2.76Å; S750-A754 WeakPolarHBondContact O-CB 3.41Å; S750-A754 PolarHBondContact O-N 3.36Å
751A87.5Confident78.8Confident44 Ų4490 Ų9036%0.36451%0.514SS..Hα-helixtrans-67.8-26.8173.700000112.6D747 K755D747-A751 WeakPolarHBondContact O-CB 3.22Å; D747-A751 PolarHBondContact O-N 3.38Å; A751-K755 WeakPolarHBondContact O-CB 3.4Å; A751-K755 WeakPolarHBondContact O-CD 3.43Å; A751-K755 WeakPolarHBondContact O-CG 3.2Å; A751-K755 PolarHBondContact O-N 2.97Å; A751-K755 VanDerWaalsContact O-N 3.07Å
752S87.3Confident79.9Confident50 Ų5086.6 Ų86.635%0.3550%0.503SS..Hα-helixtrans-75.5-41.8173.4-64.40000112E748 V749 S750 K755 Q756E748-S752 WeakPolarHBondContact O-CB 3.5Å; E748-S752 PolarHBondContact O-N 3.29Å; E748-S752 PolarHBondContact O-OG 2.9Å; V749-S752 CarbonylContact O-C 3.2Å; V749-S752 WeakPolarHBondContact O-CB 3.22Å; V749-S752 PolarHBondContact O-N 3.07Å; V749-S752 VanDerWaalsContact O-N 3.12Å; S750-S752 VanDerWaalsContact C-N 3.27Å; S750-S752 PolarHBondContact O-N 3Å; S752-K755 PolarHBondContact O-N 2.67Å; S752-Q756 WeakPolarHBondContact O-CG 3.06Å; S752-Q756 PolarHBondContact O-N 3.21Å
753L87.1Confident81.1Confident74 Ų7484.6 Ų84.639%0.38750%0.496SS..Hα-helixtrans-61-46.5170.1-94.477.3000110.5V749 S750 K755 Q756 G757 L758V749-L753 HydrophobicContact CG1-CD1 3.92Å; V749-L753 WeakPolarHBondContact O-CD1 3.5Å; V749-L753 PolarHBondContact O-N 2.97Å; S750-L753 PolarHBondContact O-N 2.76Å; L753-K755 VanDerWaalsContact C-N 3.29Å; L753-K755 PolarHBondContact O-N 2.69Å; L753-Q756 CarbonylContact O-C 3.59Å; L753-Q756 WeakPolarHBondContact O-CA 3.43Å; L753-Q756 PolarHBondContact O-N 3.26Å; L753-G757 PolarHBondContact O-N 3.11Å; L753-L758 HydrophobicContact CB-CB 4.37Å; L753-L758 HydrophobicContact CD2-CB 4.03Å; L753-L758 HydrophobicContact CG-CB 4.08Å; L753-L758 PolarHBondContact O-N 3.37Å; L753-L758 VanDerWaalsContact O-N 3.1Å
754A85.8Confident82.2Confident71 Ų7185.8 Ų85.859%0.58749%0.492SS*.Hα-helixtrans-60.7-34.8177.400000113.1S750 G757S750-A754 WeakPolarHBondContact O-CB 3.41Å; S750-A754 PolarHBondContact O-N 3.36Å; A754-G757 PolarHBondContact O-N 3.44Å
755K84.3Confident82.8Confident158 Ų15885.9 Ų85.969%0.68749%0.49SS*.Hα-helixtrans-72.5-27.1172.1-76.3166.9-174.7166.50113.7A751 S752 L753A751-K755 WeakPolarHBondContact O-CB 3.4Å; A751-K755 WeakPolarHBondContact O-CD 3.43Å; A751-K755 WeakPolarHBondContact O-CG 3.2Å; A751-K755 PolarHBondContact O-N 2.97Å; A751-K755 VanDerWaalsContact O-N 3.07Å; S752-K755 PolarHBondContact O-N 2.67Å; L753-K755 VanDerWaalsContact C-N 3.29Å; L753-K755 PolarHBondContact O-N 2.69Å
756Q81.9Confident83.1Confident109 Ų10985.8 Ų85.851%0.50949%0.493SS..Hα-helixtrans-86.9-12.7171.6-68.1-178.18.400112.5P533 S752 L753 L758P533-Q756 WeakPolarHBondContact CA-O 3.43Å; P533-Q756 WeakPolarHBondContact CB-O 3.41Å; S752-Q756 WeakPolarHBondContact O-CG 3.06Å; S752-Q756 PolarHBondContact O-N 3.21Å; L753-Q756 CarbonylContact O-C 3.59Å; L753-Q756 WeakPolarHBondContact O-CA 3.43Å; L753-Q756 PolarHBondContact O-N 3.26Å; Q756-L758 HydrophobicContact CB-CD1 3.71Å
757G77.6Confident83.3Confident6 Ų688.3 Ų88.36%0.06250%0.495CS..THydrogen-bonded Turntrans73.432.5-179.200000115.1L532 L753 A754L532-G757 WeakPolarHBondContact CA-O 3.45Å; L532-G757 VanDerWaalsContact N-CA 3.25Å; L532-G757 PolarHBondContact N-O 3.29Å; L753-G757 PolarHBondContact O-N 3.11Å; A754-G757 PolarHBondContact O-N 3.44Å
758L62.6Low83.1Confident145 Ų14585.1 Ų85.176%0.75948%0.481SS*.  trans-89.40168.5-7687.5000110.5L753 Q756L753-L758 HydrophobicContact CB-CB 4.37Å; L753-L758 HydrophobicContact CD2-CB 4.03Å; L753-L758 HydrophobicContact CG-CB 4.08Å; L753-L758 PolarHBondContact O-N 3.37Å; L753-L758 VanDerWaalsContact O-N 3.1Å; Q756-L758 HydrophobicContact CB-CD1 3.71Å

Retrieved 758 of 758 residues in 102.8 ms (Link to these results)