A0A087XXI3_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XXI3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 574 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M39.6Very low35.3Very low241 Ų241145.4 Ų145.4100%1.18782%0.818SS**  0120.20-57.5-170.4-78.100106.1
2A37.8Very low34.8Very low88 Ų88142 Ų14273%0.72780%0.804SS**  cis93.5151.636.500000112.8
3T38.2Very low34.8Very low142 Ų142145.4 Ų145.487%0.87181%0.809SS**  trans67127.7-166.1710000114.2
4A40Very low34.4Very low109 Ų109141.8 Ų141.890%0.90181%0.807SS**  cis92.2139.30.400000119.2
5G34Very low34Very low64 Ų64136.8 Ų136.866%0.6680%0.799SS**  trans143122.9-172.900000108.8
6F31.4Very low33.7Very low216 Ų216137.4 Ų137.495%0.94781%0.806SS**  cis64.6136.911.4-78.4-80.6000114.4
7A37.6Very low33.4Very low66 Ų66134.9 Ų134.955%0.54581%0.805SS.*  cis-153.61778.100000113.9
8E34.3Very low33.1Very low168 Ų168132.5 Ų132.579%0.78580%0.802SS**  trans57.3145.3145.4-74.5168.1111.600120.8
9Q33.7Very low32.8Very low172 Ų172133.5 Ų133.580%0.80480%0.802SS**  cis113.7127.820.9-87.6-15823.400112.4
10R29.4Very low32.6Very low234 Ų234132.7 Ų132.788%0.88380%0.798SS**  trans177.4119.3143.7-95.5165-178.7-163.5-0.9105.8
11S31.8Very low32.5Very low99 Ų99131.6 Ų131.669%0.69280%0.797SS**  58.7137.577.483.50000112.4
12T29.9Very low32Very low105 Ų105131.7 Ų131.764%0.64478%0.784SS**  -171.7134.459.7-710000112
13Q35.2Very low31.6Very low186 Ų186132.9 Ų132.987%0.86979%0.787SS**  trans40.1160.5142.4-62.8174.59.500122.9
14A29.4Very low31.5Very low95 Ų95136.7 Ų136.779%0.78579%0.785SS**  cis-172166.3-20.700000112.2
15G27.3Very low31.7Very low67 Ų67137.7 Ų137.769%0.69178%0.782SS**  trans85.3161.6156.500000118.2
16T29.3Very low31.4Very low146 Ų146137.3 Ų137.390%0.89678%0.779SS**  cis-165.9171.7-14.8-20000110.7
17A28.6Very low31.3Very low96 Ų96133.2 Ų133.279%0.79377%0.771SS**  trans68.9144.3178.300000116.8
18A28.6Very low31Very low91 Ų91135.3 Ų135.375%0.75279%0.789SS**  cis106.492.65.600000117.2
19D26.8Very low30.7Very low151 Ų151130.8 Ų130.881%0.80779%0.787SS**  -168.8157.6125-103.1-21000109.7
20T29.4Very low30.4Very low118 Ų118127.9 Ų127.972%0.72479%0.792SS**  cis109.87515.9-46.30000115
21S29.7Very low30.4Very low109 Ų109121.3 Ų121.376%0.76279%0.788SS**  trans-171.6131.5147.536.80000107.7
22R30.2Very low30.2Very low244 Ų244127.8 Ų127.892%0.92180%0.797SS**  58.1128.463.8-63.5-170.3179.9-156.72.1111.6
23S29.5Very low30.1Very low113 Ų113128.2 Ų128.279%0.7980%0.803SS**  cis-149.1151.420.951.20000115.1
24R34.6Very low29.8Very low222 Ų222131.4 Ų131.484%0.83881%0.808SS**  trans-94.2153.5150-91.4-178.2165.8-172.3-2.8108.1
25P44.6Very low30.1Very low129 Ų129133 Ų13384%0.83881%0.813SS**  -136174.991.837.7-26000112.1
26G27.3Very low30.2Very low57 Ų57133.5 Ų133.559%0.58882%0.819SS**  cis176.2125.3-8.300000107.6
27T30.8Very low30.5Very low129 Ų129132.4 Ų132.479%0.79182%0.816SS**  66.384.373.460.90000117.1
28A30.1Very low30.4Very low111 Ų111131.4 Ų131.492%0.91782%0.816SS**  trans-178.1148.3142.400000108.9
29G28Very low31Very low72 Ų72132.8 Ų132.874%0.74282%0.817SS**  cis-170.8130.5-15.900000106.9
30A28.5Very low31.9Very low111 Ų111131.4 Ų131.492%0.91782%0.817SS**  8472.563.200000116.1
31A28.4Very low32.4Very low96 Ų96135 Ų13579%0.79383%0.825SS**  trans-170.6115.915200000109.5
32R28.1Very low33Very low235 Ų235139.4 Ų139.489%0.88783%0.83SS**  76.995.772.7-81.1-165.4171.9-156.6-0.1116.7
33C28.9Very low33.6Very low114 Ų114132.5 Ų132.577%0.7782%0.819SS**  trans52.8119.5131.9-49.90000121.2
34R28.5Very low34.4Very low253 Ų253132.2 Ų132.296%0.95582%0.817SS**  -175.4163111.5-101.6166.8-171.4-109.42.3113.1
35S36Very low35Very low129 Ų129125.7 Ų125.790%0.90281%0.81SS**  trans-82.7148.1175.4-41.80000112.1
36G29Very low35.1Very low78 Ų78123.9 Ų123.980%0.80480%0.8SS**  trans-161.6161.6173.700000111.2
37S34.5Very low36Very low122 Ų122126 Ų12685%0.85381%0.805SS**  trans-138.5122.8-164.858.50000115.8
38G27.4Very low36.7Very low76 Ų76128.3 Ų128.378%0.78481%0.807SS**  trans79173.4169.100000115.3
39P40.3Very low37.1Very low120 Ų120128.9 Ų128.978%0.77980%0.804SS**  cis-109.3175.7-6.440.4-30.4000112.9
40P45.8Very low37.7Very low122 Ų122137.5 Ų137.579%0.79281%0.814SS**PPolyproline II helixtrans-78.9143.4175.431.6-35.2000113.5
41E39.8Very low38.3Very low192 Ų192137.8 Ų137.890%0.89781%0.809SS**PPolyproline II helixtrans-78.4167.8-177.7-61.1-176.6121.100114.3
42K43.8Very low38.8Very low202 Ų202137 Ų13788%0.87881%0.811SS**PPolyproline II helixtrans-96.9149.1179.6-62.6172.7-175.21700110.8S44K42-S44 PolarHBondContact O-N 3.37Å
43C41.2Very low39.4Very low100 Ų100132.3 Ų132.368%0.67681%0.814SS**PPolyproline II helixtrans-65.2126.1171.6-172.50000110.6A45C43-A45 VanDerWaalsContact C-N 3.3Å; C43-A45 PolarHBondContact O-N 3.31Å
44S47.7Very low39.8Very low107 Ų107130.2 Ų130.275%0.74881%0.812SS**SBendtrans-77.6-6.3-176.4470000114.9K42 C46 S47K42-S44 PolarHBondContact O-N 3.37Å; S44-C46 VanDerWaalsContact C-N 3.32Å; S44-C46 PolarHBondContact O-N 3Å; S44-S47 PolarHBondContact O-OG 3.49Å
45A46.5Very low40.8Very low85 Ų85125.7 Ų125.770%0.70281%0.813SS**THydrogen-bonded Turntrans-87.820.4-172.800000115.2C43C43-A45 VanDerWaalsContact C-N 3.3Å; C43-A45 PolarHBondContact O-N 3.31Å
46C46.5Very low41Very low91 Ų91123 Ų12362%0.61581%0.806SS**THydrogen-bonded Turntrans-143.417.8-173.6-58.60000114.5S44S44-C46 VanDerWaalsContact C-N 3.32Å; S44-C46 PolarHBondContact O-N 3Å
47S47Very low42Very low100 Ų100126.5 Ų126.570%0.69981%0.812SS**SBendtrans-89.7-16.9-170.340.90000116.1S44S44-S47 PolarHBondContact O-OG 3.49Å
48E44.8Very low42.3Very low179 Ų179124.4 Ų124.484%0.83680%0.802SS**SBendtrans-13287.9-170.8-65.7-172.4118.500113.2
49S38.8Very low43.4Very low122 Ų122124.1 Ų124.185%0.85379%0.787SS**  trans176.6104.7150.328.30000109
50R39.5Very low44Very low253 Ų253123.1 Ų123.196%0.95578%0.783SS**  trans-139.153.4-179.3-158.8-177-176.8-120.5-1.7112.6
51S41.6Very low44.2Very low117 Ų117128.3 Ų128.382%0.81879%0.787SS**  trans-158.4119.5-179.8510000111.4
52G39Very low44.5Very low81 Ų81122.8 Ų122.884%0.83577%0.768SS**SBendtrans95.2134.8164.700000116.5
53S41.6Very low44.6Very low136 Ų136119.5 Ų119.595%0.95176%0.759SS**  trans-39.4139.2173.3-171.20000116.3
54G37.3Very low44.5Very low70 Ų70119 Ų11972%0.72276%0.763SS**  trans157.2141.3165.300000114.8G56G54-G56 PolarHBondContact O-N 2.99Å
55T49.7Very low44.3Very low157 Ų157125.2 Ų125.296%0.96377%0.77SS**  trans-65.6117.2171.844.20000111.2
56G39.5Very low43.8Very low74 Ų74132.1 Ų132.176%0.76378%0.778SS**  trans-131138.3-179.700000113.4G54G54-G56 PolarHBondContact O-N 2.99Å
57T49Very low43.4Very low151 Ų151133.8 Ų133.893%0.92679%0.785SS**PPolyproline II helixtrans-72.4129.6-168.6-44.60000113.5
58A42.6Very low43Very low78 Ų78134.9 Ų134.965%0.64579%0.79SS**PPolyproline II helixtrans-75.2135.7-178.700000113.5S60A58-S60 PolarHBondContact O-N 3.22Å
59C49.7Very low42.3Very low70 Ų70130 Ų13047%0.47379%0.788SS.*PPolyproline II helixtrans-66.1120.6179.9-175.40000112.6R61 C62C59-R61 VanDerWaalsContact C-N 3.26Å; C59-R61 PolarHBondContact O-N 2.97Å; C59-C62 PolarHBondContact O-N 3.42Å
60S52.7Low41.9Very low99 Ų99134.5 Ų134.569%0.69279%0.786SS**G310 helixtrans-58.9-30.5-177.7570000114.3A58 C62A58-S60 PolarHBondContact O-N 3.22Å; S60-C62 VanDerWaalsContact C-N 3.26Å; S60-C62 PolarHBondContact O-N 2.98Å
61R50.3Low41.5Very low231 Ų231129.7 Ų129.787%0.87277%0.774SS**G310 helixtrans-70.4-15.1177.3-80.3-177.5165.7171.6-3.8114.2C59C59-R61 VanDerWaalsContact C-N 3.26Å; C59-R61 PolarHBondContact O-N 2.97Å
62C44.8Very low41Very low75 Ų75131.8 Ų131.851%0.50777%0.771SS.*G310 helixtrans-91.8-17.5-178.6-65.90000114.3C59 S60C59-C62 PolarHBondContact O-N 3.42Å; S60-C62 VanDerWaalsContact C-N 3.26Å; S60-C62 PolarHBondContact O-N 2.98Å
63L47.6Very low40.7Very low133 Ų133137.2 Ų137.270%0.69677%0.766SS**THydrogen-bonded Turntrans-78.7-21.7-172.8-71168.5000114.1R65L63-R65 PolarHBondContact O-N 3.3Å
64A38.5Very low40.2Very low91 Ų91137 Ų13775%0.75275%0.753SS**THydrogen-bonded Turntrans-85.98.8-171.300000116
65R44.3Very low40Very low237 Ų237143.8 Ų143.889%0.89476%0.757SS**SBendtrans-139.849.1-173.1-77.2-166.1167-145.9-1115.7L63L63-R65 PolarHBondContact O-N 3.3Å
66R35.6Very low39.2Very low229 Ų229147.8 Ų147.886%0.86476%0.755SS**  trans-149.3141.6168.1-63.7-168.1-172.2-143.34.4107.4
67V36.7Very low38.9Very low126 Ų126155.7 Ų155.776%0.76476%0.761SS**  cis-144.5152.82.9-177.50000108.6
68P38.8Very low38Very low124 Ų124153.1 Ų153.181%0.80575%0.749SS**  trans-98.7124.1165.534.9-29000114.4
69G29.9Very low37.7Very low77 Ų77156.9 Ų156.979%0.79476%0.759SS**  trans97.2127.4138.800000121.9
70R30.4Very low37.5Very low216 Ų216159.7 Ų159.782%0.81578%0.776SS**  trans102.6120.6142.5-162170.2-173.5-107.2-18.9120.8
71E33.1Very low36.8Very low152 Ų152163.9 Ų163.971%0.7179%0.785SS**  trans17.5127.6153.3-58.8170.987.400121.8
72E30.1Very low36Very low161 Ų161164.9 Ų164.975%0.75279%0.789SS**  -153.5153.196.1-171.6153.5-17000114.2
73R32.7Very low35.3Very low194 Ų194164.6 Ų164.673%0.73280%0.798SS**  trans-43.1140.1167.9172.9-154.6-71.1133.9-15.4116.9
74I31Very low34.8Very low132 Ų132164.4 Ų164.468%0.67781%0.808SS**  179.1135.2129.8-96.7160.7000115.6
75R32.2Very low34.6Very low213 Ų213165.5 Ų165.580%0.80481%0.81SS**  trans41.5115.2155.1-63.7174-176.4112.6-1.7124.4
76R34Very low34.6Very low241 Ų241166.1 Ų166.191%0.90981%0.812SS**  trans14.4128.5131.3-61.9-177.6177.8-172.9-0.6121.1
77R32.2Very low34.6Very low240 Ų240160.3 Ų160.391%0.90681%0.813SS**  trans169.5144.2134.5-95.3165.7-166.6-90.76.4107
78S31.1Very low34.5Very low96 Ų96158 Ų15867%0.67181%0.814SS**  cis169.2134.1-15.641.90000104.8
79D35.3Very low34.5Very low157 Ų157162.4 Ų162.484%0.8482%0.821SS**  trans-70160-173.5-49.2-93.7000114.6
80P46.5Very low35.2Very low130 Ų130168.8 Ų168.884%0.84482%0.821SS**  trans-105103.5160.334.7-24.8000111.8
81E37.5Very low35.6Very low186 Ų186164.8 Ų164.887%0.86982%0.816SS**  trans-87.7130.5160.8-81.5-149.8141.800111.5
82R33.3Very low35.7Very low253 Ų253162.5 Ų162.596%0.95582%0.817SS**  trans-179.7141148-102.8163.4-169-107.71.8109.6
83G31.4Very low35.9Very low68 Ų68163.6 Ų163.670%0.70182%0.822SS**  cis147136.8-11.500000113.5
84S35.3Very low35.8Very low129 Ų129158.8 Ų158.890%0.90282%0.818SS**  trans70160.1176.7-128.30000115.6
85S35.8Very low36.1Very low115 Ų115162.2 Ų162.280%0.80482%0.823SS**  cis-140.3-173.97.565.10000113.4
86R43.8Very low36.3Very low250 Ų250162.4 Ų162.494%0.94382%0.824SS**  trans-119.7156.4-164.9-57.5170.8172.2172.3-3.9114.4
87A34.6Very low36.2Very low106 Ų106154.6 Ų154.688%0.87682%0.818SS**  -170.7152.5129.900000111.2
88G36.3Very low36.3Very low77 Ų77150.3 Ų150.379%0.79482%0.818SS**  cis139.585.1-19.100000117
89K38.5Very low36.4Very low217 Ų217154.5 Ų154.594%0.94382%0.824SS**  trans-159.9170.2156.3-123.3-179.9-178.5-175.40113.1
90R45.2Very low36.3Very low212 Ų212153.6 Ų153.680%0.882%0.824SS**  trans-154.1168.8-163.3-141.3-164.3-59.7-171.36112.1
91D37.4Very low35.4Very low131 Ų131152.2 Ų152.270%0.70182%0.816SS**  trans68.8156.6158.6-49.5-34000118.5
92S35.6Very low35.6Very low105 Ų105149.3 Ų149.373%0.73481%0.814SS**  cis-169.8137-28.655.10000113.6
93E33.3Very low35.4Very low183 Ų183144 Ų14486%0.85581%0.81SS**  trans60.5118.5140-162159.4-169.600126.1
94S32.3Very low35.6Very low94 Ų94148.5 Ų148.566%0.65782%0.817SS**  trans61.4126.5138.6-160.50000125
95R36.7Very low36.1Very low204 Ų204147.5 Ų147.577%0.7781%0.807SS**  173.7132.9107.2-92.6179.6-177.3-139.11.6117.3
96R35.5Very low35.9Very low217 Ų217150.9 Ų150.982%0.81981%0.808SS**  trans48131.8138.9-58177.9-174.4-95.7-1.2124.7
97G33.3Very low35.4Very low76 Ų76144 Ų14478%0.78480%0.798SS**  trans93.8157.2143.400000117.6
98V34.2Very low35.3Very low151 Ų151142.7 Ų142.792%0.91579%0.787SS**  cis-147.1163.9-14.6177.80000107.8
99F33.3Very low35Very low184 Ų184147 Ų14781%0.80779%0.791SS**  trans-107.7130.7-172-141.9-80.6000112.9
100V32Very low34.8Very low137 Ų137141 Ų14183%0.8378%0.782SS**  trans-148.5149166.3-173.30000109.8
101C28.1Very low35.3Very low101 Ų101137 Ų13768%0.68278%0.784SS**  trans-102.7159.3-177.7-64.30000113.5
102P42.7Very low34.9Very low126 Ų126135.9 Ų135.982%0.81879%0.793SS**  trans-94.9165-175.437.7-36.6000115.1
103T29Very low34.7Very low142 Ų142135.3 Ų135.387%0.87180%0.795SS**  trans-132.5152.6174.545.10000113
104L34.7Very low35.8Very low161 Ų161132.2 Ų132.284%0.84379%0.791SS**  trans-79.8172.2172.2-105.194.4000111.2
105P46.3Very low35.6Very low109 Ų109133.4 Ų133.471%0.70880%0.799SS**  cis-159.4-177.147.744.9-22.4000121.1
106K30.5Very low35.3Very low186 Ų186127.6 Ų127.681%0.80980%0.795SS**  trans63.6127.4149-84-174.9172-175.80120
107S33.3Very low35.4Very low105 Ų105126.9 Ų126.973%0.73480%0.797SS**  87.314261.983.70000113.5
108A33.4Very low35.7Very low78 Ų78131 Ų13165%0.64580%0.801SS**  cis-158.7-169.913.100000113.5
109D29.2Very low35.7Very low167 Ų167134.1 Ų134.189%0.89380%0.802SS**  trans82.9156.5152.9-57.7-36.1000124.2
110A34.4Very low35.9Very low91 Ų91132.5 Ų132.575%0.75280%0.801SS**  trans-158.3-163.6-174.300000107.3
111P55.3Low35.9Very low129 Ų129134.2 Ų134.284%0.83880%0.804SS**  cis-134.7177.7-8.543.3-26.8000115.4
112A29.1Very low36.2Very low107 Ų107133.3 Ų133.388%0.88480%0.804SS**  trans-162.1166.9160.100000112.5
113A31.3Very low35.6Very low94 Ų94132.9 Ų132.978%0.77780%0.804SS**  trans-154-166.8-176.900000110.6
114P56.5Low35.8Very low118 Ų118132.5 Ų132.577%0.76680%0.797SS**  -124.1179.7-61.636.5-22.9000113.1
115S29.5Very low36.1Very low118 Ų118132.7 Ų132.783%0.82580%0.799SS**  165.2151.4127.755.90000118.1
116A30.4Very low36.2Very low83 Ų83137.6 Ų137.669%0.68680%0.803SS**  trans75.8121.1137.100000125.3
117K37Very low36.8Very low201 Ų201136 Ų13687%0.87480%0.799SS**  trans90.7101.7136.3-70.6168.4-176175.80122.5
118L38.9Very low37.1Very low163 Ų163140 Ų14085%0.85381%0.806SS**  trans0.3134.8139.6-79.4157.7000120.8
119K34.9Very low37.7Very low216 Ų216144 Ų14494%0.93982%0.815SS**  -154.4164.2116.9-112.3173.3-175.6179.80111.4
120L38.1Very low38.5Very low151 Ų151145 Ų14579%0.79181%0.806SS**  trans-128134-167.8-167.5-179.7000109.2
121L32.3Very low38.8Very low172 Ų172149.6 Ų149.690%0.90181%0.809SS**  trans-159.6166.8151.8-109.9170.3000110.5
122A34.3Very low38Very low83 Ų83155.3 Ų155.369%0.68681%0.814SS**  trans-117-163.1-170.500000112.9
123S29.8Very low38.4Very low117 Ų117155.5 Ų155.582%0.81881%0.808SS**  trans81.3145.4-170.5-50.90000114
124D32.5Very low38.7Very low134 Ų134156.5 Ų156.572%0.71781%0.809SS**  cis-145.5152.3-0.4-147.8-44.2000110.5
125D42.2Very low38Very low164 Ų164158.8 Ų158.888%0.87781%0.814SS**  trans-15868.5177.1-172.318.2000111.3
126R46.9Very low38.3Very low213 Ų213162 Ų16280%0.80482%0.818SS**  trans-146.528-171.6-145.5-166.7175.3-166.1-0.9117.4
127E42.6Very low38.4Very low153 Ų153162 Ų16272%0.71583%0.826SS**  trans-107-32.7-169.6-66.9-11399.100116.2I129 R130E127-I129 VanDerWaalsContact C-N 3.35Å; E127-I129 PolarHBondContact O-N 3.18Å; E127-R130 IonicContact OE1-NH2 3.26Å
128E41.1Very low38.3Very low188 Ų188159.9 Ų159.988%0.87982%0.816SS**G310 helixtrans-66.6-25.4-168.2-75.2-138.4113.600116R130E128-R130 VanDerWaalsContact C-N 3.3Å; E128-R130 PolarHBondContact O-N 3Å
129I44.6Very low38Very low163 Ų163159.3 Ų159.384%0.83681%0.814SS**G310 helixtrans-70.7-19.7-166.7-62.8175.7000113.4E127 K131E127-I129 VanDerWaalsContact C-N 3.35Å; E127-I129 PolarHBondContact O-N 3.18Å; I129-K131 PolarHBondContact O-N 2.83Å
130R46.8Very low38Very low188 Ų188155.9 Ų155.971%0.70980%0.802SS**G310 helixtrans-80.1-6-172.1-85.3-175.3-73.6-1600.4116.4E127 E128 W132E127-R130 IonicContact OE1-NH2 3.26Å; E128-R130 VanDerWaalsContact C-N 3.3Å; E128-R130 PolarHBondContact O-N 3Å; R130-W132 PolarHBondContact O-N 3.31Å
131K40.1Very low37.9Very low187 Ų187154.7 Ų154.781%0.81381%0.806SS**G310 helixtrans-79.3-11.5-167.8-161.1163.1-177.8172.20116.4I129I129-K131 PolarHBondContact O-N 2.83Å
132W39.1Very low37.7Very low249 Ų249150.4 Ų150.494%0.94380%0.803SS**G310 helixtrans-1043.9-170.7-80.171.4000115.9R130R130-W132 PolarHBondContact O-N 3.31Å
133S37.5Very low37.5Very low110 Ų110152.3 Ų152.377%0.76981%0.812SS**  trans-98.611.8-168.2-162.90000116.4
134C37.9Very low37.7Very low116 Ų116153.4 Ų153.478%0.78481%0.813SS**SBendtrans-113.928.1-164.8-58.20000115.7
135L40.6Very low37.6Very low166 Ų166158.8 Ų158.887%0.86982%0.823SS**SBendtrans-134.38-176.4-95.2173.6000116.9
136M36.9Very low37.1Very low186 Ų186162.5 Ų162.592%0.91683%0.825SS**SBendtrans-113.4103.2170.6-67.8-57.7-63.100110K138M136-K138 PolarHBondContact O-N 3.19Å
137G33.1Very low36.3Very low82 Ų82156.9 Ų156.985%0.84582%0.824SS**  trans-72.3119.6-178.800000113
138K35.1Very low35.9Very low157 Ų157156 Ų15668%0.68383%0.829SS**  trans-38134.9159.5168.4-176.3175.8173.90114.8M136 E140M136-K138 PolarHBondContact O-N 3.19Å; K138-E140 WeakPolarHBondContact CE-OE1 3.49Å; K138-E140 IonicContact NZ-OE1 3.98Å; K138-E140 PolarHBondContact NZ-OE1 3.21Å
139D31.7Very low36Very low151 Ų151155.1 Ų155.181%0.80782%0.824SS**  trans-148.1110.1133.2-89.4-39.9000105.5
140E34.3Very low36Very low144 Ų144152.3 Ų152.367%0.67382%0.817SS**  67.212190-75.1-62.6116.600114.1K138K138-E140 WeakPolarHBondContact CE-OE1 3.49Å; K138-E140 IonicContact NZ-OE1 3.98Å; K138-E140 PolarHBondContact NZ-OE1 3.21Å
141S36.1Very low35.6Very low125 Ų125146.7 Ų146.787%0.87482%0.817SS**  trans-124.7132.4-166.7-68.50000112.6
142G29.3Very low35.5Very low82 Ų82143.4 Ų143.485%0.84581%0.813SS**  trans125.8103.3148.800000117
143S28.6Very low35.5Very low124 Ų124139 Ų13987%0.86781%0.807SS**  trans-152130.9146.7-162.20000110.5
144V34.2Very low35.9Very low140 Ų140139.1 Ų139.185%0.84881%0.808SS**  trans-96.4116.4-177.7173.80000110.1
145R31Very low36Very low247 Ų247140.6 Ų140.693%0.93281%0.808SS**  trans-144.4165.2151.4-74.3-153.2178.3-150.7-1.4111.7
146R30.8Very low36.2Very low242 Ų242137.6 Ų137.691%0.91380%0.801SS**  trans-83150.8-164.7-57.9174-178.9154.7-2113.4
147A32.1Very low36.6Very low94 Ų94137.4 Ų137.478%0.77780%0.798SS**  trans45.1114.8141.200000120
148V33.2Very low37.3Very low135 Ų135139.7 Ų139.782%0.81879%0.791SS**  -166.6139.7111.3142.10000108.3P150V148-P150 WeakPolarHBondContact O-CD 3.25Å
149E43Very low38.4Very low169 Ų169139.8 Ų139.879%0.7979%0.794SS**  trans-76.6124.6175-100.4-70.8164.100111.6
150P44Very low39.7Very low104 Ų104139.7 Ų139.768%0.67579%0.788SS**  trans-107.273.1168.437-24000110.2V148 V152V148-P150 WeakPolarHBondContact O-CD 3.25Å; P150-V152 PolarHBondContact O-N 3.26Å
151G40.2Very low40.6Very low70 Ų70138.8 Ų138.872%0.72280%0.795SS**  trans-65.5116.917500000111.8
152V37.9Very low40.8Very low119 Ų119139.3 Ų139.372%0.72179%0.786SS**  trans-130.5103.3179.9-172.90000111.5P150P150-V152 PolarHBondContact O-N 3.26Å
153L39.2Very low41.5Very low155 Ų155140.9 Ų140.981%0.81279%0.785SS**  trans45.6113.4144.4-51.4177.1000118.9
154S45.4Very low42.4Very low113 Ų113145.5 Ų145.579%0.7978%0.783SS**  trans-76.6121.1156.6-179.10000109.9
155D40.4Very low43.1Very low147 Ų147148.5 Ų148.579%0.78678%0.779SS**  trans-105.767.5179.258.3-23.9000111.6E157D155-E157 PolarHBondContact O-N 3.43Å
156S43.4Very low43.8Very low103 Ų103143.2 Ų143.272%0.7277%0.768SS**  trans-73.367.5179.343.10000113.5N158S156-N158 PolarHBondContact O-N 3.18Å
157E46.6Very low45.1Very low183 Ų183141 Ų14186%0.85576%0.759SS**  trans-72.471.2177.2-162.7-179.7122.200112.7D155 E159D155-E157 PolarHBondContact O-N 3.43Å; E157-E159 PolarHBondContact O-N 3.07Å
158N46Very low45.7Very low130 Ų130143.3 Ų143.370%0.69576%0.759SS**  trans-88.981.2168.4-18087.9000110S156 E160S156-N158 PolarHBondContact O-N 3.18Å; N158-E160 WeakPolarHBondContact ND2-CG 3.46Å; N158-E160 PolarHBondContact O-N 3.46Å
159E58.7Low46.4Very low159 Ų159144.2 Ų144.274%0.74376%0.758SS**  trans-68.695.5165.1-95.4-129.912700109.9E157E157-E159 PolarHBondContact O-N 3.07Å
160E58.6Low46.7Very low149 Ų149140.1 Ų140.170%0.69675%0.747SS**  trans-61.3131.7161.1-65.2-162.9148.100109.4N158 I162N158-E160 WeakPolarHBondContact ND2-CG 3.46Å; N158-E160 PolarHBondContact O-N 3.46Å; E160-I162 PolarHBondContact O-N 2.79Å
161P53.2Low47.1Very low125 Ų125140 Ų14081%0.81276%0.755SS**  trans-67.496.5178.826.7-34000110.3S163P161-S163 PolarHBondContact O-N 3.45Å; P161-S163 VanDerWaalsContact O-N 3.09Å
162I41.3Very low47.6Very low136 Ų136145.3 Ų145.370%0.69776%0.759SS**  trans-42.5116.8-174.4-63.8174000110.5E160 R164E160-I162 PolarHBondContact O-N 2.79Å; I162-R164 VanDerWaalsContact C-N 3.25Å; I162-R164 PolarHBondContact O-N 3.18Å
163S45Very low48Very low115 Ų115146.8 Ų146.880%0.80476%0.761SS**  trans-65.878.8-173.9-169.30000112.3P161 R165P161-S163 PolarHBondContact O-N 3.45Å; P161-S163 VanDerWaalsContact O-N 3.09Å; S163-R165 PolarHBondContact O-N 3.18Å
164R46.9Very low48.4Very low220 Ų220149.6 Ų149.683%0.8376%0.761SS**  trans-65.199.7172.6-70.7-171.4-179.9-143.1-1.3107.7I162 I166I162-R164 VanDerWaalsContact C-N 3.25Å; I162-R164 PolarHBondContact O-N 3.18Å; R164-I166 VanDerWaalsContact C-N 3.31Å; R164-I166 WeakPolarHBondContact O-CG1 3.29Å; R164-I166 PolarHBondContact O-N 3.22Å
165R48.3Very low48.2Very low203 Ų203154.2 Ų154.277%0.76677%0.767SS**  trans-55.684.4-177.8-172.9-174.5-65.8-175.50.3112.2S163 R167S163-R165 PolarHBondContact O-N 3.18Å; R165-R167 PolarHBondContact O-N 3.01Å
166I46.7Very low48.2Very low137 Ų137152.6 Ų152.670%0.70376%0.762SS**  trans-63.3103.8172.2-57.3179.2000107.2R164 N168R164-I166 VanDerWaalsContact C-N 3.31Å; R164-I166 WeakPolarHBondContact O-CG1 3.29Å; R164-I166 PolarHBondContact O-N 3.22Å; I166-N168 WeakPolarHBondContact CG2-OD1 3.08Å; I166-N168 PolarHBondContact O-N 2.87Å
167R56.4Low48.1Very low194 Ų194157 Ų15773%0.73277%0.769SS**  trans-7395.3169.1-70.2-175.7178.490.1-10.8107.4R165 I169R165-R167 PolarHBondContact O-N 3.01Å; R167-I169 VanDerWaalsContact C-N 3.29Å; R167-I169 PolarHBondContact O-N 3.13Å
168N46.3Very low47.4Very low143 Ų143155.3 Ų155.377%0.76577%0.765SS**  trans-6590.5169-72.1-24.1000109.1I166 S170I166-N168 WeakPolarHBondContact CG2-OD1 3.08Å; I166-N168 PolarHBondContact O-N 2.87Å; N168-S170 PolarHBondContact O-N 3.49Å; N168-S170 VanDerWaalsContact O-N 3.13Å
169I47.5Very low46.7Very low155 Ų155154.7 Ų154.780%0.79577%0.771SS**  trans-74.3100.9175.6-59.9171.9000107.3R167 A171R167-I169 VanDerWaalsContact C-N 3.29Å; R167-I169 PolarHBondContact O-N 3.13Å; I169-A171 PolarHBondContact O-N 3.33Å
170S48.8Very low45.6Very low82 Ų82153.1 Ų153.157%0.57378%0.778SS**  trans-68.3130.6174.154.20000110.3N168 F172N168-S170 PolarHBondContact O-N 3.49Å; N168-S170 VanDerWaalsContact O-N 3.13Å; S170-F172 PolarHBondContact O-N 2.83Å
171A51.6Low44.4Very low102 Ų102150.6 Ų150.684%0.84378%0.782SS**SBendtrans-74.926.9-173.500000114.4I169I169-A171 PolarHBondContact O-N 3.33Å
172F51.7Low43.4Very low182 Ų182151.7 Ų151.780%0.79879%0.786SS**  trans-140.338.8-169-122.4-87.9000114.8S170S170-F172 PolarHBondContact O-N 2.83Å
173I45.6Very low43.1Very low149 Ų149150.7 Ų150.776%0.76479%0.791SS**  trans-95.3120165.3-60-177.2000109.1
174R49Very low42.5Very low215 Ų215151 Ų15181%0.81179%0.794SS**  trans-68.8130.6178-63.3179.8-177.5-179.70.1109.8T176R174-T176 PolarHBondContact O-N 2.77Å
175K40.9Very low41.9Very low209 Ų209144 Ų14491%0.90979%0.79SS**  trans-7288-172.5-173.1177.1-178.5176.40112.2
176T40.3Very low41.1Very low113 Ų113140.2 Ų140.269%0.69380%0.795SS**  trans-68.4136.8169.150.30000110.6R174R174-T176 PolarHBondContact O-N 2.77Å
177K41Very low40.6Very low197 Ų197145.3 Ų145.386%0.85781%0.805SS**  trans-81.6117.6176.7-85.2-178.6172.5178.70110.4
178N32.8Very low39.5Very low146 Ų146147.6 Ų147.678%0.78181%0.814SS**  trans-133.9100.7161-62.488.4000106.7
179S30.6Very low39.1Very low118 Ų118145.3 Ų145.383%0.82581%0.809SS**  trans-98.4125.1-179.5-60.60000110.5
180S34.2Very low38.7Very low125 Ų125148.3 Ų148.387%0.87481%0.81SS**  trans-127151.5151.455.70000107.7
181A34.4Very low38Very low96 Ų96149.5 Ų149.579%0.79382%0.819SS**  trans-136.4151.6-164.500000112.2
182V33Very low37.2Very low148 Ų148150.9 Ų150.990%0.89782%0.82SS**  trans-140143.2149155.80000108.9
183S33.2Very low36.4Very low115 Ų115149 Ų14980%0.80482%0.824SS**  trans-25.5129.6178.7-1640000119.5
184S32.6Very low35.8Very low122 Ų122149.3 Ų149.385%0.85383%0.827SS**  -163.5150.4104.4-167.80000110.5
185G36Very low35.6Very low73 Ų73144.5 Ų144.575%0.75382%0.824SS**  trans-99.6139.8-162.900000116.2
186S31.1Very low35.6Very low124 Ų124142 Ų14287%0.86782%0.82SS**  trans-155.3140.4149.2-172.70000110.2
187R35.8Very low35.7Very low243 Ų243145.8 Ų145.892%0.91783%0.83SS**  trans-144.687.1-170.1-168.9-173.2-171.6-145.23.7112
188R33Very low35.4Very low242 Ų242143.6 Ų143.691%0.91383%0.827SS**  trans179.6146.9169-99.1161.8-179.7-173.5-0.1106.7
189S38.7Very low35.7Very low95 Ų95148 Ų14866%0.66483%0.833SS**  cis-150.9158.2-0.9-82.50000111.8
190R38.4Very low35.6Very low219 Ų219146 Ų14683%0.82683%0.831SS**  trans2126.6139.6-48173.886.11755.4115.5
191S34.8Very low35.6Very low107 Ų107143.6 Ų143.675%0.74883%0.826SS**  63.799.15582.70000114.1
192C33.8Very low35.8Very low130 Ų130149.2 Ų149.288%0.87883%0.832SS**  trans-124.9117.3167.8-61.60000109.3
193T36Very low36Very low142 Ų142150.6 Ų150.687%0.87183%0.831SS**  trans-104137.5159.344.80000107.1
194D32.2Very low36.2Very low156 Ų156155 Ų15583%0.83484%0.836SS**  trans-127.7115.7-177.5-174.221.4000110
195P44.3Very low36.3Very low114 Ų114153.5 Ų153.574%0.7483%0.831SS**  trans-114.3116.4171.834.7-21.1000111.3
196L41.6Very low36.1Very low158 Ų158157.9 Ų157.983%0.82784%0.836SS**  trans-124.3108.3164.7-172.864.3000109.8
197E42.4Very low36.2Very low192 Ų192158.3 Ų158.390%0.89783%0.832SS**  trans-86138.1154.8-66.9-169.210500108.4
198D35.3Very low37.2Very low151 Ų151152.1 Ų152.181%0.80782%0.824SS**  trans-145.9159.2146.3-162.112.6000110.3
199R37.4Very low38Very low237 Ų237146.6 Ų146.689%0.89482%0.819SS**  trans-102.9151.3-172.3-63.6173.7166-144.4-1.7111.3
200G30.3Very low37.8Very low77 Ų77147 Ų14779%0.79483%0.828SS**  trans177.5131.6162.400000114.7
201G34.1Very low37.5Very low74 Ų74141.1 Ų141.176%0.76383%0.827SS**  trans-69.1-172157.600000111.4
202K37.7Very low37.5Very low214 Ų214142.7 Ų142.793%0.9383%0.831SS**  cis-150.8170.534.7-43.9179.9-169.7176.60110.5
203M37.9Very low37.6Very low177 Ų177144.1 Ų144.187%0.87283%0.827SS**  trans-67.3155.3-179-57172.275.700113.8
204K36.1Very low37.2Very low208 Ų208146 Ų14690%0.90483%0.826SS**  -159.4145.8121.6-106.5171.4-175.3-174.60110.2
205A34.8Very low37.4Very low91 Ų91146.8 Ų146.875%0.75283%0.825SS**  trans-129.7138.5179.100000109.5
206I31.5Very low37Very low165 Ų165147.6 Ų147.685%0.84683%0.827SS**  trans-143.2122.5173.5-57.3-178.2000109.5
207V35Very low36.6Very low132 Ų132142.9 Ų142.980%0.882%0.817SS**  trans-163.1150.8176.2170.30000103.2
208P56.1Low36.3Very low113 Ų113140.8 Ų140.873%0.73481%0.81SS**  cis-117.3-145.87.321.96.8000109.1
209P49.8Very low36.1Very low127 Ų127138.9 Ų138.983%0.82581%0.809SS**  cis-135.8179.60.143.6-24.3000118.1
210A33.6Very low36.2Very low103 Ų103135.9 Ų135.985%0.85181%0.805SS**  trans-110.1147.4-17800000112.5
211A32.2Very low36.6Very low96 Ų96137.6 Ų137.679%0.79380%0.804SS**  trans-162.4155.816600000106.2
212V34.4Very low37.2Very low139 Ų139140.2 Ų140.284%0.84281%0.811SS**  cis-130.2165.52.4-175.80000108.1
213M36.6Very low37.1Very low160 Ų160134.2 Ų134.279%0.78880%0.802SS**  trans-69.7148.4168.8-62.3148.355.700112.2
214E28.6Very low37.2Very low182 Ų182130.5 Ų130.585%0.8580%0.799SS**  trans-137.3136.7141.9-164.5174.9162.700109.3
215Q35.4Very low37.4Very low172 Ų172124.8 Ų124.880%0.80480%0.799SS**  trans-139.689.9-170.2-175.2-179.52.800109.6
216V37Very low37.7Very low131 Ų131127.3 Ų127.379%0.79480%0.798SS**  trans-109.7129.5170-179.30000108.1
217G33.4Very low38.2Very low60 Ų60128 Ų12862%0.61980%0.803SS**  trans-116.8170.3-165.800000115.5
218I35.5Very low38.4Very low147 Ų147129.1 Ų129.175%0.75480%0.803SS**  trans61.9104.7152.9-48.6171.9000116.5
219S30.2Very low37.3Very low111 Ų111129 Ų12978%0.77681%0.806SS**  -159.8118.8119.5-84.40000110.4
220H40Very low36.9Very low174 Ų174128.8 Ų128.881%0.80681%0.807SS**  trans-102.3118.1175.4-56.1-79.7000109
221S38.2Very low37.6Very low113 Ų113132.9 Ų132.979%0.7981%0.809SS**  trans-115.695.4177.6-56.90000110.3A223S221-A223 PolarHBondContact O-N 2.85Å
222S46.4Very low38Very low129 Ų129135 Ų13590%0.90281%0.807SS**  trans-75.198-180-61.20000111.7
223A36.5Very low38.5Very low89 Ų89133.8 Ų133.874%0.73680%0.804SS**  trans-148.3136.6173.400000112.5S221S221-A223 PolarHBondContact O-N 2.85Å
224A39.7Very low38.7Very low98 Ų98137.7 Ų137.781%0.8181%0.81SS**SBendtrans52.3107.5169.900000117.4
225G40.8Very low39Very low88 Ų88134.4 Ų134.491%0.90781%0.807SS**  trans-65.7140.3-173.400000116
226I40.8Very low39.5Very low144 Ų144134.7 Ų134.774%0.73881%0.812SS**  trans-116.7120.1169.3-60174.4000108.2L228I226-L228 HydrophobicContact CG2-CB 4.47Å; I226-L228 HydrophobicContact CG2-CD1 4.21Å; I226-L228 HydrophobicContact CG2-CG 4.17Å
227L41.3Very low39.7Very low181 Ų181133.8 Ų133.895%0.94881%0.812SS**  trans-101.888.3169.8-77.4179.3000111
228L40.3Very low39.8Very low154 Ų154135 Ų13581%0.80682%0.817SS**  trans-110.984.3162.7-81.3171.1000109.4I226I226-L228 HydrophobicContact CG2-CB 4.47Å; I226-L228 HydrophobicContact CG2-CD1 4.21Å; I226-L228 HydrophobicContact CG2-CG 4.17Å
229S32.8Very low40Very low112 Ų112133.8 Ų133.878%0.78382%0.818SS**  trans-172.284.5162.3-870000112.8
230S41.1Very low40.5Very low122 Ų122136.1 Ų136.185%0.85382%0.82SS**  trans-139.431.615557.80000111.7N232S230-N232 PolarHBondContact O-N 2.84Å; S230-N232 VanDerWaalsContact O-N 3.09Å
231E48.8Very low40.7Very low189 Ų189134 Ų13488%0.88382%0.82SS**  trans-78.690.4169.1-170.4164.4126.400110.2
232N40.4Very low40.9Very low141 Ų141133 Ų13375%0.75482%0.818SS**  trans-145.6147.8156.6-164.6-0000108.4S230S230-N232 PolarHBondContact O-N 2.84Å; S230-N232 VanDerWaalsContact O-N 3.09Å
233S44.3Very low40.8Very low112 Ų112132.9 Ų132.978%0.78381%0.814SS**  trans59.857.4179.7-57.70000116.2
234R40.3Very low40.6Very low243 Ų243135 Ų13592%0.91781%0.813SS**  trans-114.7134.6153.2-74.6-167.3174.8-130-2.8111.1
235S36.4Very low41.1Very low113 Ų113141.2 Ų141.279%0.7982%0.816SS**  trans-80.3150.5-175.940.20000112.5S237S235-S237 PolarHBondContact O-N 2.81Å
236I45.8Very low41.1Very low177 Ų177146.5 Ų146.591%0.90881%0.808SS**SBendtrans-7387.2-175.4-56.4167.5000110.5
237S40.1Very low41.1Very low112 Ų112146 Ų14678%0.78381%0.806SS**  trans178.766.7152.3560000114.6S235S235-S237 PolarHBondContact O-N 2.81Å
238A35.3Very low40.8Very low87 Ų87144.3 Ų144.372%0.71980%0.804SS**  trans-157.6135.2161.300000111.8
239P41Very low40.5Very low121 Ų121147 Ų14779%0.78680%0.803SS**PPolyproline II helixtrans-78.4143.9167.232.8-32.8000110.9
240I40.9Very low40.6Very low159 Ų159151.7 Ų151.782%0.81580%0.804SS**PPolyproline II helixtrans-94.2129.3-180-59.9172.5000109.5
241T43.1Very low40.3Very low131 Ų131150 Ų15080%0.80480%0.798SS**PPolyproline II helixtrans-92.3143.2169.149.20000111
242A42.4Very low39.6Very low91 Ų91147 Ų14775%0.75279%0.792SS**PPolyproline II helixtrans-67.1158.2-177.700000112.9
243P44.2Very low39.3Very low127 Ų127148.5 Ų148.583%0.82580%0.799SS**PPolyproline II helixtrans-72137.9-178.629.4-34.9000112.8
244D32.4Very low38.9Very low134 Ų134149.4 Ų149.472%0.71780%0.8SS**PPolyproline II helixtrans-76.6149.7177.3-173.223.6000112.4R246D244-R246 IonicContact OD1-NE 3.68Å; D244-R246 VanDerWaalsContact OD2-CD 3.24Å; D244-R246 WeakPolarHBondContact OD2-CD 3.21Å; D244-R246 IonicContact OD2-NE 3.77Å
245R51.5Low38.4Very low227 Ų227143.4 Ų143.486%0.85780%0.795SS**  trans-11594.3174.9-87.2-179.8154.4-172.5-5.3110.1
246R40.6Very low38.2Very low199 Ų199143.9 Ų143.975%0.75180%0.798SS**  trans-135.3111155.8-81.6100.6-167.7-63.5-4.5108.9D244D244-R246 IonicContact OD1-NE 3.68Å; D244-R246 VanDerWaalsContact OD2-CD 3.24Å; D244-R246 WeakPolarHBondContact OD2-CD 3.21Å; D244-R246 IonicContact OD2-NE 3.77Å
247L40.1Very low37.9Very low133 Ų133139.5 Ų139.570%0.69679%0.789SS**  71.789.772.4-70.9174.6000112.7W249L247-W249 PolarHBondContact O-N 3.29Å
248T35.5Very low37.9Very low147 Ų147140.4 Ų140.490%0.90279%0.792SS**  trans-62.1113.1170.5-46.40000111.2
249W33.6Very low38.2Very low209 Ų209145.1 Ų145.179%0.79280%0.804SS**  trans-98100.5174.4-8094.3000112L247L247-W249 PolarHBondContact O-N 3.29Å
250R35.8Very low37.9Very low211 Ų211142.6 Ų142.680%0.79680%0.8SS**  trans49.390147.8-61.1-69.1-178.1137.2-0117.5
251A33.9Very low37.9Very low87 Ų87143.3 Ų143.372%0.71981%0.805SS**  -77.1176.9129.300000110
252V33.4Very low38Very low125 Ų125142.2 Ų142.276%0.75880%0.8SS**  trans87.893.1-174.7-172.50000115
253L34.4Very low38.5Very low173 Ų173143.3 Ų143.391%0.90680%0.799SS**  -144.7112.1124.4-86-170.4000110.1
254T35.4Very low38.9Very low132 Ų132142.8 Ų142.881%0.8180%0.796SS**  trans-119.9153.115646.60000105.6
255S30.3Very low39.6Very low117 Ų117142.2 Ų142.282%0.81880%0.799SS**  cis-156.8145.7-3.4174.10000108.5
256S32.8Very low39.2Very low122 Ų122136 Ų13685%0.85380%0.796SS**  trans-161129.7149.9500000110.8
257A38.8Very low39.2Very low86 Ų86137.9 Ų137.971%0.71180%0.804SS**  trans-109.2157.6168.700000109
258P41Very low39.3Very low131 Ų131135.8 Ų135.885%0.85181%0.805SS**  -123.7179.5102.636.9-33.9000113.7
259L40.1Very low39.8Very low185 Ų185137.7 Ų137.797%0.96980%0.804SS**  trans-75142.7-167.6-67.7153.6000114.1
260G36.7Very low40.5Very low68 Ų68139 Ų13970%0.70181%0.809SS**  trans163.4131.2161.200000115
261L39.3Very low41.1Very low174 Ų174133.7 Ų133.791%0.91180%0.804SS**SBendtrans75.4156.9167.3-58.7177.3000117
262P46.7Very low42Very low109 Ų109137.6 Ų137.671%0.70881%0.811SS**PPolyproline II helixtrans-91165-147.935.1-36.6000115
263P52.4Low42.7Very low114 Ų114134.8 Ų134.874%0.7480%0.797SS**PPolyproline II helixtrans-61.3148.4173.826.6-36000112.1
264P51.4Low43.8Very low115 Ų115132.6 Ų132.675%0.74779%0.793SS**PPolyproline II helixtrans-61.414617228.2-34.9000109.9A266P264-A266 PolarHBondContact O-N 3.04Å
265P48.8Very low44.9Very low122 Ų122134 Ų13479%0.79279%0.79SS**PPolyproline II helixtrans-57.9134-177.323.5-33.5000110.6R267P265-R267 PolarHBondContact O-N 3.22Å
266A42.3Very low46Very low96 Ų96132.4 Ų132.479%0.79378%0.779SS**PPolyproline II helixtrans-51.7135.8170.700000108.8P264 A268P264-A266 PolarHBondContact O-N 3.04Å; A266-A268 PolarHBondContact O-N 2.92Å; A266-A268 VanDerWaalsContact O-N 3.08Å
267R39.9Very low47.4Very low239 Ų239133 Ų13390%0.90277%0.773SS**PPolyproline II helixtrans-55.4123.1176.9-74.9-177.8175.2160.30.2107.8P265 E269P265-R267 PolarHBondContact O-N 3.22Å; R267-E269 PolarHBondContact O-N 2.8Å
268A43.7Very low48.5Very low89 Ų89134.1 Ų134.174%0.73677%0.767SS**PPolyproline II helixtrans-47.6118.5175.700000108.8A266 R270A266-A268 PolarHBondContact O-N 2.92Å; A266-A268 VanDerWaalsContact O-N 3.08Å; A268-R270 PolarHBondContact O-N 2.97Å
269E44.5Very low49.6Very low188 Ų188132.4 Ų132.488%0.87976%0.758SS**  trans-57.5114.8173.7-64.7-173.9135.100106.2R267 S271R267-E269 PolarHBondContact O-N 2.8Å; E269-S271 PolarHBondContact O-N 3.02Å
270R49.6Very low50.7Low237 Ų237128.4 Ų128.489%0.89474%0.737SS**  trans-61.4115.1177.6-77.1-176.4168.5-166.4-5.5106.3A268 I272A268-R270 PolarHBondContact O-N 2.97Å; R270-I272 PolarHBondContact O-N 2.73Å; R270-I272 VanDerWaalsContact O-N 3.14Å
271S47.9Very low52Low98 Ų98128 Ų12869%0.68572%0.723SS**  trans-42.8119.4-174.953.20000110.4E269 S273E269-S271 PolarHBondContact O-N 3.02Å; S271-S273 PolarHBondContact O-N 2.88Å
272I53.2Low53.3Low169 Ų169126.2 Ų126.287%0.86771%0.71SS**  trans-71.882.5170.7-55170.1000105.9R270 P274R270-I272 PolarHBondContact O-N 2.73Å; R270-I272 VanDerWaalsContact O-N 3.14Å; I272-P274 VanDerWaalsContact O-CD 3.25Å; I272-P274 WeakPolarHBondContact O-CD 3.44Å
273S47.2Very low54.2Low66 Ų66127.1 Ų127.146%0.46271%0.705SS.*  trans-63.7112.4178.3-62.60000108.3S271 E275 S276S271-S273 PolarHBondContact O-N 2.88Å; S273-E275 PolarHBondContact O-N 3.09Å; S273-E275 VanDerWaalsContact O-N 3.13Å; S273-S276 PolarHBondContact O-OG 2.97Å
274P57.5Low54.8Low127 Ų127127 Ų12783%0.82570%0.697SS**THydrogen-bonded Turntrans-71.4-10.2-173.530.4-36.1000113I272I272-P274 VanDerWaalsContact O-CD 3.25Å; I272-P274 WeakPolarHBondContact O-CD 3.44Å
275E58.5Low55.3Low162 Ų162127.5 Ų127.576%0.75769%0.694SS**THydrogen-bonded Turntrans-110.918-172.7-148.464.8-121.400113S273 N277S273-E275 PolarHBondContact O-N 3.09Å; S273-E275 VanDerWaalsContact O-N 3.13Å; E275-N277 PolarHBondContact O-N 2.89Å
276S54.8Low56.2Low83 Ų83128.7 Ų128.758%0.5869%0.689SS**  trans-74.483.1168.360.60000109.5S273 D278S273-S276 PolarHBondContact O-OG 2.97Å; S276-D278 PolarHBondContact O-N 3.44Å
277N61.1Low57.6Low134 Ų134132 Ų13272%0.71769%0.685SS**  trans-67.792.4177.7-168.1-25.5000109.8E275 S279E275-N277 PolarHBondContact O-N 2.89Å; N277-S279 VanDerWaalsContact C-N 3.34Å; N277-S279 PolarHBondContact O-N 3.02Å; N277-S279 PolarHBondContact O-OG 3.46Å
278D62.5Low59.5Low110 Ų110129.2 Ų129.259%0.58868%0.68SS**  trans-63.189-179.1-93.3-28.6000110.4S276 I280 S281S276-D278 PolarHBondContact O-N 3.44Å; D278-I280 PolarHBondContact O-N 3.2Å; D278-I280 VanDerWaalsContact O-N 3.07Å; D278-S281 VanDerWaalsContact O-CB 3.27Å; D278-S281 WeakPolarHBondContact O-CB 3.34Å; D278-S281 PolarHBondContact O-N 3.2Å; D278-S281 PolarHBondContact O-OG 2.69Å
279S64.6Low61Low95 Ų95129.3 Ų129.366%0.66467%0.673SS**Hα-helixtrans-61.3-20.1178.8-42.30000112.7N277 S281 E282N277-S279 VanDerWaalsContact C-N 3.34Å; N277-S279 PolarHBondContact O-N 3.02Å; N277-S279 PolarHBondContact O-OG 3.46Å; S279-S281 VanDerWaalsContact C-N 3.29Å; S279-E282 PolarHBondContact O-N 3.09Å
280I62.2Low62.4Low102 Ų102127 Ų12752%0.52367%0.665SS.*Hα-helixtrans-68.2-27.8172.2-63.2175.6000111.4D278 E282 E283 L284D278-I280 PolarHBondContact O-N 3.2Å; D278-I280 VanDerWaalsContact O-N 3.07Å; I280-E282 VanDerWaalsContact C-N 3.32Å; I280-E282 PolarHBondContact O-N 3.14Å; I280-E283 WeakPolarHBondContact O-CG 3.44Å; I280-E283 PolarHBondContact O-N 2.87Å; I280-L284 HydrophobicContact CG2-CD1 3.83Å; I280-L284 HydrophobicContact CG2-CG 4.14Å; I280-L284 WeakPolarHBondContact O-CB 3.45Å; I280-L284 VanDerWaalsContact O-CG 3.29Å; I280-L284 WeakPolarHBondContact O-CG 3.15Å; I280-L284 PolarHBondContact O-N 3.09Å
281S64.1Low63.6Low60 Ų60122.1 Ų122.142%0.4266%0.661SS.*Hα-helixtrans-66.8-32.8178.272.70000112.5D278 S279 N285D278-S281 VanDerWaalsContact O-CB 3.27Å; D278-S281 WeakPolarHBondContact O-CB 3.34Å; D278-S281 PolarHBondContact O-N 3.2Å; D278-S281 PolarHBondContact O-OG 2.69Å; S279-S281 VanDerWaalsContact C-N 3.29Å; S281-N285 PolarHBondContact O-N 2.98Å; S281-N285 VanDerWaalsContact O-N 3.1Å; S281-N285 PolarHBondContact O-ND2 3.15Å
282E66.4Low64.8Low136 Ų136122.2 Ų122.264%0.63666%0.661SS**Hα-helixtrans-68-46.8177-168.9179.6173.200111.5S279 I280 L284 N285 H286S279-E282 PolarHBondContact O-N 3.09Å; I280-E282 VanDerWaalsContact C-N 3.32Å; I280-E282 PolarHBondContact O-N 3.14Å; E282-L284 PolarHBondContact O-N 3.08Å; E282-N285 PolarHBondContact O-N 2.81Å; E282-H286 PolarHBondContact O-CE1 3.48Å; E282-H286 PolarHBondContact O-ND1 3.09Å
283E65.7Low65.8Low127 Ų127118.4 Ų118.459%0.59365%0.649SS**Hα-helixtrans-66.9-34.1177.157174-165.800112.7I280 N285 H286I280-E283 WeakPolarHBondContact O-CG 3.44Å; I280-E283 PolarHBondContact O-N 2.87Å; E283-N285 PolarHBondContact O-N 2.96Å; E283-H286 WeakPolarHBondContact O-CB 3.49Å; E283-H286 PolarHBondContact O-N 3.45Å
284L64.1Low66.9Low112 Ų112120.7 Ų120.759%0.58666%0.662SS**Hα-helixtrans-68.4-32.3175.1-70.8176.8000113I280 E282 H286 F287I280-L284 HydrophobicContact CG2-CD1 3.83Å; I280-L284 HydrophobicContact CG2-CG 4.14Å; I280-L284 WeakPolarHBondContact O-CB 3.45Å; I280-L284 VanDerWaalsContact O-CG 3.29Å; I280-L284 WeakPolarHBondContact O-CG 3.15Å; I280-L284 PolarHBondContact O-N 3.09Å; E282-L284 PolarHBondContact O-N 3.08Å; L284-H286 PolarHBondContact O-N 3.02Å; L284-F287 WeakPolarHBondContact O-CB 3.37Å; L284-F287 PolarHBondContact O-N 3.08Å
285N63.5Low67.9Low126 Ų126120.1 Ų120.167%0.67466%0.66SS**Hα-helixtrans-64.1-17.8174-80.9-45.5000113.6S281 E282 E283S281-N285 PolarHBondContact O-N 2.98Å; S281-N285 VanDerWaalsContact O-N 3.1Å; S281-N285 PolarHBondContact O-ND2 3.15Å; E282-N285 PolarHBondContact O-N 2.81Å; E283-N285 PolarHBondContact O-N 2.96Å
286H66.3Low69Low147 Ų147118.6 Ų118.668%0.68166%0.662SS**THydrogen-bonded Turntrans-79.6-18.8171.8-66.982.1000112.9E282 E283 L284 K288E282-H286 PolarHBondContact O-CE1 3.48Å; E282-H286 PolarHBondContact O-ND1 3.09Å; E283-H286 WeakPolarHBondContact O-CB 3.49Å; E283-H286 PolarHBondContact O-N 3.45Å; L284-H286 PolarHBondContact O-N 3.02Å; H286-K288 VanDerWaalsContact C-N 3.27Å; H286-K288 PolarHBondContact O-N 2.82Å
287F73.1Confident70.2Confident164 Ų164119.6 Ų119.672%0.71967%0.667SS**  trans-82.667-179.6-158.8-92.5000112.3L284 P289L284-F287 WeakPolarHBondContact O-CB 3.37Å; L284-F287 PolarHBondContact O-N 3.08Å; F287-P289 VanDerWaalsContact O-CD 3.24Å; F287-P289 WeakPolarHBondContact O-CD 3.48Å
288K78.4Confident71.2Confident181 Ų181117.3 Ų117.379%0.78766%0.659SS**  trans-67.4112.4163.3-68.1-178.7-179.6178.30107.9H286 I290H286-K288 VanDerWaalsContact C-N 3.27Å; H286-K288 PolarHBondContact O-N 2.82Å; K288-I290 PolarHBondContact O-N 3.25Å
289P76.3Confident72.3Confident91 Ų91119.2 Ų119.259%0.59166%0.662SS**  trans-61.6135.9-177.825.9-34.1000109.4F287 V291F287-P289 VanDerWaalsContact O-CD 3.24Å; F287-P289 WeakPolarHBondContact O-CD 3.48Å; P289-V291 VanDerWaalsContact C-N 3.3Å; P289-V291 WeakPolarHBondContact O-CG2 3.4Å; P289-V291 PolarHBondContact O-N 2.99Å
290I73.8Confident73.7Confident139 Ų139123 Ų12371%0.71366%0.662SS**  trans-73.786.3-175.9-60.1177000108.8K288 C292K288-I290 PolarHBondContact O-N 3.25Å; I290-C292 WeakPolarHBondContact CG2-O 3.13Å; I290-C292 PolarHBondContact O-N 2.83Å
291V73.5Confident75Confident136 Ų136121.6 Ų121.682%0.82466%0.655SS**SBendtrans-57.8-33.7-177.4-174.50000111.9P289P289-V291 VanDerWaalsContact C-N 3.3Å; P289-V291 WeakPolarHBondContact O-CG2 3.4Å; P289-V291 PolarHBondContact O-N 2.99Å
292C73.1Confident76.2Confident99 Ų99125.4 Ų125.467%0.66968%0.678SS**SBendtrans-127.2121.9178-57.20000108.9I290I290-C292 WeakPolarHBondContact CG2-O 3.13Å; I290-C292 PolarHBondContact O-N 2.83Å
293S75.9Confident77.3Confident90 Ų90123.7 Ų123.763%0.62967%0.674SS**  trans-55.7134.1169.557.80000109.6C295S293-C295 PolarHBondContact O-N 3.07Å
294P70.3Confident78.4Confident113 Ų113119.7 Ų119.773%0.73467%0.666SS**  trans-61.3103.8-176.923.5-33.4000110.7T296P294-T296 PolarHBondContact O-N 3.46Å; P294-T296 VanDerWaalsContact O-N 3.14Å
295C78.1Confident79.7Confident116 Ų116122.6 Ų122.678%0.78467%0.669SS**PPolyproline II helixtrans-61.6116.5-175.3-690000110.2S293S293-C295 PolarHBondContact O-N 3.07Å
296T81.3Confident80.8Confident130 Ų130121.1 Ų121.180%0.79866%0.661SS**PPolyproline II helixtrans-63.3124.2170.7-54.60000108P294P294-T296 PolarHBondContact O-N 3.46Å; P294-T296 VanDerWaalsContact O-N 3.14Å
297P79.6Confident81.9Confident104 Ų104117.7 Ų117.768%0.67565%0.647SS**PPolyproline II helixtrans-60.4141.2-175.522.9-33.3000110.6K299P297-K299 PolarHBondContact O-N 3.29Å
298P81.9Confident82.3Confident86 Ų86117.5 Ų117.556%0.55865%0.649SS**PPolyproline II helixtrans-60.6123.9-175.625-34.1000109.8R300 L306P298-R300 PolarHBondContact O-N 3.38Å; P298-L306 HydrophobicContact CB-CD1 4.41Å; P298-L306 HydrophobicContact CB-CD2 4.13Å; P298-L306 HydrophobicContact CG-CD1 4.36Å; P298-L306 HydrophobicContact CG-CD2 3.95Å
299K87.3Confident82.5Confident149 Ų149114.1 Ų114.165%0.64865%0.645SS**PPolyproline II helixtrans-56.8137.2-177.7177.5169.7171.3-171.80109.9P297 L307P297-K299 PolarHBondContact O-N 3.29Å; K299-L307 HydrophobicContact CB-CB 4.38Å; K299-L307 HydrophobicContact CB-CD2 4.44Å; K299-L307 HydrophobicContact CD-CD2 3.66Å; K299-L307 HydrophobicContact CG-CB 4.29Å; K299-L307 HydrophobicContact CG-CD2 4.01Å; K299-L307 WeakPolarHBondContact O-CB 3.32Å; K299-L307 PolarHBondContact O-N 2.87Å
300R92.6Very high82.6Confident174 Ų174116 Ų11666%0.65766%0.655SS**BIsolated β-bridgetrans-102.1153.9175.6-66-178.8-175.7-172.20.9111.9P298 G304 R305 L306P298-R300 PolarHBondContact O-N 3.38Å; R300-G304 WeakPolarHBondContact CD-O 3.43Å; R300-R305 CarbonylContact C-O 3.51Å; R300-R305 WeakPolarHBondContact CA-O 3.24Å; R300-L306 HydrophobicContact CG-CD2 4Å
301L89.5Confident82.9Confident73 Ų73115 Ų11538%0.38266%0.655SS.*PPolyproline II helixtrans-80.9166.7165.7-78.1170.3000110.3D303 G304 R305 L307L301-D303 WeakPolarHBondContact CB-OD1 3.41Å; L301-D303 PolarHBondContact O-N 3.43Å; L301-G304 PolarHBondContact O-N 2.85Å; L301-R305 PolarHBondContact N-O 3.41Å; L301-L307 HydrophobicContact CD2-CD1 3.81Å; L301-L307 HydrophobicContact CG-CB 4.32Å; L301-L307 HydrophobicContact CG-CD1 4.08Å
302P89.3Confident83.1Confident140 Ų140114.1 Ų114.191%0.90965%0.65SS**THydrogen-bonded Turntrans-62.9-20.4178.2-22.935000114.6G304P302-G304 PolarHBondContact O-N 2.83Å
303D89.1Confident82.9Confident101 Ų101118.2 Ų118.254%0.5466%0.656SS.*THydrogen-bonded Turntrans-83.15.7173.263.46.3000113.2L301 R305L301-D303 WeakPolarHBondContact CB-OD1 3.41Å; L301-D303 PolarHBondContact O-N 3.43Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 3.38Å; D303-R305 VanDerWaalsContact OD1-CB 3.29Å; D303-R305 WeakPolarHBondContact OD1-CB 3.21Å; D303-R305 WeakPolarHBondContact OD1-CG 3.42Å; D303-R305 PolarHBondContact OD1-N 3.23Å; D303-R305 VanDerWaalsContact OD2-CD 3.25Å; D303-R305 WeakPolarHBondContact OD2-CD 3.5Å
304G89Confident82.5Confident42 Ų42117.8 Ų117.843%0.43366%0.659SS.*SBendtrans80.3-9.4-178.900000115.3R300 L301 P302R300-G304 WeakPolarHBondContact CD-O 3.43Å; L301-G304 PolarHBondContact O-N 2.85Å; P302-G304 PolarHBondContact O-N 2.83Å
305R91.2Very high82.3Confident173 Ų173117.6 Ų117.665%0.65366%0.656SS**  trans-68.7154.4179.2-61.8174.268.6-174.7-0.5110.8R300 L301 D303 L307R300-R305 CarbonylContact C-O 3.51Å; R300-R305 WeakPolarHBondContact CA-O 3.24Å; L301-R305 PolarHBondContact N-O 3.41Å; D303-R305 VanDerWaalsContact C-N 3.25Å; D303-R305 PolarHBondContact O-N 3.38Å; D303-R305 VanDerWaalsContact OD1-CB 3.29Å; D303-R305 WeakPolarHBondContact OD1-CB 3.21Å; D303-R305 WeakPolarHBondContact OD1-CG 3.42Å; D303-R305 PolarHBondContact OD1-N 3.23Å; D303-R305 VanDerWaalsContact OD2-CD 3.25Å; D303-R305 WeakPolarHBondContact OD2-CD 3.5Å; R305-L307 PolarHBondContact O-N 3.35Å
306L87.8Confident81.5Confident96 Ų96115.5 Ų115.550%0.50364%0.641SS.*BIsolated β-bridgetrans-66.8133.1171.9-58.7-171.2000109.7P298 R300 E308P298-L306 HydrophobicContact CB-CD1 4.41Å; P298-L306 HydrophobicContact CB-CD2 4.13Å; P298-L306 HydrophobicContact CG-CD1 4.36Å; P298-L306 HydrophobicContact CG-CD2 3.95Å; R300-L306 HydrophobicContact CG-CD2 4Å; L306-E308 PolarHBondContact O-N 2.95Å
307L88.1Confident80.7Confident74 Ų74120.3 Ų120.339%0.38764%0.644SS.*  trans-75.791.4167.9179.673.8000108K299 L301 R305K299-L307 HydrophobicContact CB-CB 4.38Å; K299-L307 HydrophobicContact CB-CD2 4.44Å; K299-L307 HydrophobicContact CD-CD2 3.66Å; K299-L307 HydrophobicContact CG-CB 4.29Å; K299-L307 HydrophobicContact CG-CD2 4.01Å; K299-L307 WeakPolarHBondContact O-CB 3.32Å; K299-L307 PolarHBondContact O-N 2.87Å; L301-L307 HydrophobicContact CD2-CD1 3.81Å; L301-L307 HydrophobicContact CG-CB 4.32Å; L301-L307 HydrophobicContact CG-CD1 4.08Å; R305-L307 PolarHBondContact O-N 3.35Å
308E83.2Confident79.8Confident161 Ų161122.7 Ų122.775%0.75265%0.651SS**  trans-59124.8171.1-67.7179.6-175.400109.8L306 T310L306-E308 PolarHBondContact O-N 2.95Å; E308-T310 PolarHBondContact O-N 2.95Å
309P81Confident78.6Confident109 Ų109122.5 Ų122.571%0.70865%0.645SS**  trans-67.7118.2176.327.6-32.5000108.5V311P309-V311 PolarHBondContact O-N 3.38Å
310T79.9Confident77.3Confident130 Ų130120.2 Ų120.280%0.79865%0.648SS**  trans-62.196.9-179.3-45.80000110.4E308 V312E308-T310 PolarHBondContact O-N 2.95Å; T310-V312 VanDerWaalsContact C-N 3.28Å; T310-V312 HydrophobicContact CG2-CG2 4.41Å; T310-V312 PolarHBondContact O-N 2.79Å
311V79.3Confident75.7Confident119 Ų119123.4 Ų123.472%0.72166%0.66SS**  trans-70.987.7175.8-1770000108.2P309 K313P309-V311 PolarHBondContact O-N 3.38Å; V311-K313 VanDerWaalsContact C-N 3.27Å; V311-K313 HydrophobicContact CG1-CG 4.47Å; V311-K313 PolarHBondContact O-N 3.5Å
312V77.5Confident74.2Confident118 Ų118124.6 Ų124.672%0.71567%0.674SS**  trans-65.393.3169.6-178.30000107.4T310 A314T310-V312 VanDerWaalsContact C-N 3.28Å; T310-V312 HydrophobicContact CG2-CG2 4.41Å; T310-V312 PolarHBondContact O-N 2.79Å; V312-A314 PolarHBondContact O-N 3.46Å
313K70.1Confident72.6Confident184 Ų184123.5 Ų123.580%0.866%0.66SS**  trans-63.383164-76.2-176.1176.3177.80107.8V311 T315V311-K313 VanDerWaalsContact C-N 3.27Å; V311-K313 HydrophobicContact CG1-CG 4.47Å; V311-K313 PolarHBondContact O-N 3.5Å; K313-T315 PolarHBondContact O-N 3.36Å
314A67.6Low71Confident82 Ų82128 Ų12868%0.67868%0.678SS**  trans-70.877.7172.600000108.5V312 P316V312-A314 PolarHBondContact O-N 3.46Å; A314-P316 WeakPolarHBondContact O-CD 3.42Å
315T64.7Low69.7Low109 Ų109134.6 Ų134.667%0.66970%0.695SS**  trans-55.9110.1168.6-52.50000107.1K313 R317K313-T315 PolarHBondContact O-N 3.36Å; T315-R317 PolarHBondContact O-N 3.3Å
316P62.6Low68Low72 Ų72130.5 Ų130.547%0.46870%0.698SS.*  trans-64.3133.9178.628.3-33.7000107.4A314 N318 L319A314-P316 WeakPolarHBondContact O-CD 3.42Å; P316-N318 PolarHBondContact O-N 3.08Å; P316-L319 HydrophobicContact CG-CB 4.41Å; P316-L319 HydrophobicContact CG-CD1 3.55Å; P316-L319 HydrophobicContact CG-CG 3.84Å; P316-L319 PolarHBondContact O-N 2.93Å; P316-L319 VanDerWaalsContact O-N 3.09Å
317R63.6Low66.3Low230 Ų230132.2 Ų132.287%0.86871%0.713SS**THydrogen-bonded Turntrans-55.6-13.8-170.5-74.7-179.6167137.4-4.4114.7T315T315-R317 PolarHBondContact O-N 3.3Å
318N59.8Low64.8Low154 Ų154133.4 Ų133.482%0.82473%0.727SS**THydrogen-bonded Turntrans-94.1-1.5-175-54.6-5.8000114.2P316P316-N318 PolarHBondContact O-N 3.08Å
319L58Low63.3Low82 Ų82136.1 Ų136.143%0.42973%0.732SS.*  trans-100.24.9-179.1-71.6-177.3000115.2P316 R321 L323P316-L319 HydrophobicContact CG-CB 4.41Å; P316-L319 HydrophobicContact CG-CD1 3.55Å; P316-L319 HydrophobicContact CG-CG 3.84Å; P316-L319 PolarHBondContact O-N 2.93Å; P316-L319 VanDerWaalsContact O-N 3.09Å; L319-R321 PolarHBondContact O-N 3.25Å; L319-L323 HydrophobicContact CD1-CD1 4.15Å
320S58.5Low62.9Low102 Ų102138.9 Ų138.971%0.71374%0.735SS**THydrogen-bonded Turntrans-70.610.1-171.854.60000116.6
321R60.3Low62.8Low241 Ų241134 Ų13491%0.90971%0.708SS**THydrogen-bonded Turntrans-132.6-4.3-170.9-84.5-171174.5-93.32118.4L319L319-R321 PolarHBondContact O-N 3.25Å
322S58.3Low63Low98 Ų98131.6 Ų131.669%0.68570%0.696SS**THydrogen-bonded Turntrans-154.9-8.7-176.859.60000118.9Q324S322-Q324 PolarHBondContact O-N 3.38Å
323L55.5Low63.3Low117 Ų117130.4 Ų130.461%0.61369%0.691SS**THydrogen-bonded Turntrans-84.745.8-175.2-137171.8000113.6L319L319-L323 HydrophobicContact CD1-CD1 4.15Å
324Q55Low64.1Low194 Ų194124.1 Ų124.191%0.90767%0.673SS**THydrogen-bonded Turntrans-92.9-5.2169-81.2-170.5-23.500113.3S322 A326S322-Q324 PolarHBondContact O-N 3.38Å; Q324-A326 PolarHBondContact O-N 3.07Å; Q324-A326 VanDerWaalsContact O-N 3.09Å
325K62.3Low65.2Low182 Ų182123.3 Ų123.379%0.79166%0.66SS**SBendtrans-68.4107167.6-64.4-174.5179.7-174.20108.1T327K325-T327 PolarHBondContact O-N 3.46Å
326A55.8Low66.4Low87 Ų87122.1 Ų122.172%0.71965%0.649SS**  trans-53.3137.5169.300000109.1Q324 S328Q324-A326 PolarHBondContact O-N 3.07Å; Q324-A326 VanDerWaalsContact O-N 3.09Å; A326-S328 PolarHBondContact O-N 3.22Å
327T51.8Low67.9Low132 Ų132124.9 Ų124.981%0.8166%0.656SS**  trans-75.773.9177.151.10000109.7K325 Y329K325-T327 PolarHBondContact O-N 3.46Å; T327-Y329 PolarHBondContact O-N 3.5Å; T327-Y329 VanDerWaalsContact O-N 3.09Å
328S55.4Low69.4Low98 Ų98120.6 Ų120.669%0.68564%0.644SS**  trans-58.3108.5169.352.40000108.8A326 E330A326-S328 PolarHBondContact O-N 3.22Å; S328-E330 PolarHBondContact O-N 3.31Å
329Y52.1Low71.1Confident219 Ų219121.3 Ų121.386%0.85964%0.635SS**  trans-77.858.1175.7-173-101.8000110.2T327 A331T327-Y329 PolarHBondContact O-N 3.5Å; T327-Y329 VanDerWaalsContact O-N 3.09Å; Y329-A331 PolarHBondContact O-N 3.19Å
330E72.8Confident72.8Confident166 Ų166126.4 Ų126.478%0.77665%0.648SS**  trans-76.3109.8165.3-82.8-58.4148.800108.1S328 S332S328-E330 PolarHBondContact O-N 3.31Å; E330-S332 PolarHBondContact O-N 3.1Å
331A77.6Confident74.5Confident28 Ų28127.3 Ų127.323%0.23164%0.641CS.*  trans-68126.5178.500000109.4Y329 L336Y329-A331 PolarHBondContact O-N 3.19Å; A331-L336 HydrophobicContact CB-CD2 4.04Å; A331-L336 HydrophobicContact CB-CG 4.18Å
332S83.3Confident76.1Confident68 Ų68119.7 Ų119.748%0.47662%0.618SS.*  trans-47.9134.3-179.4176.90000111.4E330 A334 V335 L336E330-S332 PolarHBondContact O-N 3.1Å; S332-A334 PolarHBondContact O-N 3.19Å; S332-V335 WeakPolarHBondContact O-CA 3.29Å; S332-V335 WeakPolarHBondContact O-CB 3.48Å; S332-V335 PolarHBondContact O-N 3.33Å; S332-L336 PolarHBondContact O-N 2.96Å
333P85Confident77.7Confident94 Ų94119.7 Ų119.761%0.6161%0.607SS**Hα-helixtrans-53-34-178-30.636.2000114V335 L336 Q337P333-V335 VanDerWaalsContact C-N 3.31Å; P333-V335 PolarHBondContact O-N 3.34Å; P333-L336 PolarHBondContact O-N 3.46Å; P333-Q337 WeakPolarHBondContact O-CG 3.35Å; P333-Q337 PolarHBondContact O-N 3.05Å
334A87.1Confident79.5Confident51 Ų51119.1 Ų119.142%0.42160%0.604SS.*Hα-helixtrans-66.5-28.7175.500000113.5S332 K338S332-A334 PolarHBondContact O-N 3.19Å; A334-K338 WeakPolarHBondContact O-CG 3.27Å; A334-K338 PolarHBondContact O-N 3.28Å; A334-K338 VanDerWaalsContact O-N 3.1Å
335V89.6Confident81.2Confident66 Ų66114.7 Ų114.740%0.459%0.587SS.*Hα-helixtrans-72.4-44.5172.8175.50000109.9S332 P333 Q337 K338 W339S332-V335 WeakPolarHBondContact O-CA 3.29Å; S332-V335 WeakPolarHBondContact O-CB 3.48Å; S332-V335 PolarHBondContact O-N 3.33Å; P333-V335 VanDerWaalsContact C-N 3.31Å; P333-V335 PolarHBondContact O-N 3.34Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 3.2Å; V335-K338 PolarHBondContact O-N 3.09Å; V335-W339 PolarHBondContact O-N 3.19Å
336L90.9Very high82.6Confident83 Ų83114.5 Ų114.544%0.43558%0.581SS.*Hα-helixtrans-63.1-38.9176.1-63.3176.7000112.2A331 S332 P333 W339 R340A331-L336 HydrophobicContact CB-CD2 4.04Å; A331-L336 HydrophobicContact CB-CG 4.18Å; S332-L336 PolarHBondContact O-N 2.96Å; P333-L336 PolarHBondContact O-N 3.46Å; L336-W339 PolarHBondContact O-N 3.24Å; L336-R340 WeakPolarHBondContact O-CG 3.37Å; L336-R340 PolarHBondContact O-N 3.06Å
337Q92.7Very high83.9Confident131 Ų131116.4 Ų116.461%0.61258%0.575SS**Hα-helixtrans-62.2-43.4171.8-75172.1-1900112.1P333 V335 W339 R340 Q341P333-Q337 WeakPolarHBondContact O-CG 3.35Å; P333-Q337 PolarHBondContact O-N 3.05Å; V335-Q337 VanDerWaalsContact C-N 3.34Å; V335-Q337 PolarHBondContact O-N 3.2Å; Q337-W339 PolarHBondContact O-N 3.42Å; Q337-R340 PolarHBondContact O-N 2.89Å; Q337-Q341 PolarHBondContact O-N 2.66Å
338K95.8Very high85.2Confident140 Ų140112.9 Ų112.961%0.60957%0.565SS**Hα-helixtrans-62.3-40174.5-78.2-178.1178.7-173.20112.6A334 V335 Q341 I342A334-K338 WeakPolarHBondContact O-CG 3.27Å; A334-K338 PolarHBondContact O-N 3.28Å; A334-K338 VanDerWaalsContact O-N 3.1Å; V335-K338 PolarHBondContact O-N 3.09Å; K338-Q341 PolarHBondContact O-N 3.43Å; K338-I342 WeakPolarHBondContact O-CD1 3.34Å; K338-I342 VanDerWaalsContact O-CG1 3.27Å; K338-I342 WeakPolarHBondContact O-CG1 3.41Å; K338-I342 PolarHBondContact O-N 3.35Å
339W94.5Very high85.8Confident168 Ų168113.7 Ų113.764%0.63656%0.561SS**Hα-helixtrans-62.9-43174.2-75.9113.4000112.5V335 L336 Q337 Q341 I342 E343V335-W339 PolarHBondContact O-N 3.19Å; L336-W339 PolarHBondContact O-N 3.24Å; Q337-W339 PolarHBondContact O-N 3.42Å; W339-Q341 VanDerWaalsContact C-N 3.31Å; W339-Q341 PolarHBondContact O-N 3.49Å; W339-I342 HydrophobicContact CE3-CD1 4.38Å; W339-I342 PolarHBondContact O-N 3.5Å; W339-E343 PolarHBondContact O-N 2.8Å
340R94.4Very high86.5Confident189 Ų189112.4 Ų112.471%0.71356%0.56SS**Hα-helixtrans-60.6-39.7173.1-69.9177.9-178.2-174.90.5112.2L336 Q337 E343 L344L336-R340 WeakPolarHBondContact O-CG 3.37Å; L336-R340 PolarHBondContact O-N 3.06Å; Q337-R340 PolarHBondContact O-N 2.89Å; R340-E343 PolarHBondContact O-N 2.83Å; R340-L344 WeakPolarHBondContact O-CG 3.35Å; R340-L344 PolarHBondContact O-N 3.31Å; R340-L344 VanDerWaalsContact O-N 3.07Å
341Q93.8Very high85.7Confident121 Ų121109.1 Ų109.157%0.56555%0.551SS**Hα-helixtrans-66.9-38.5177.3-174.159.471.100112.7Q337 K338 W339 D345Q337-Q341 PolarHBondContact O-N 2.66Å; K338-Q341 PolarHBondContact O-N 3.43Å; W339-Q341 VanDerWaalsContact C-N 3.31Å; W339-Q341 PolarHBondContact O-N 3.49Å; Q341-D345 WeakPolarHBondContact O-CB 3.5Å; Q341-D345 PolarHBondContact O-N 3.36Å
342I93.5Very high84.3Confident81 Ų81113.4 Ų113.442%0.41558%0.579SS.*Hα-helixtrans-66.4-39175.1-69.3161.7000110.7K338 W339 D345 R346K338-I342 WeakPolarHBondContact O-CD1 3.34Å; K338-I342 VanDerWaalsContact O-CG1 3.27Å; K338-I342 WeakPolarHBondContact O-CG1 3.41Å; K338-I342 PolarHBondContact O-N 3.35Å; W339-I342 HydrophobicContact CE3-CD1 4.38Å; W339-I342 PolarHBondContact O-N 3.5Å; I342-D345 PolarHBondContact O-N 2.66Å; I342-R346 HydrophobicContact CG2-CG 4.5Å; I342-R346 WeakPolarHBondContact O-CB 3.38Å; I342-R346 VanDerWaalsContact O-CG 3.23Å; I342-R346 WeakPolarHBondContact O-CG 3.37Å; I342-R346 PolarHBondContact O-N 3.31Å
343E93.3Very high82.9Confident98 Ų98115 Ų11546%0.45859%0.586SS.*Hα-helixtrans-64.4-45176.9-171.453.9-141.100111.5W339 R340 D345 R346 Q347W339-E343 PolarHBondContact O-N 2.8Å; R340-E343 PolarHBondContact O-N 2.83Å; E343-D345 PolarHBondContact O-N 3.23Å; E343-R346 PolarHBondContact O-N 3.43Å; E343-Q347 WeakPolarHBondContact O-CG 3.19Å; E343-Q347 PolarHBondContact O-N 3.07Å; E343-Q347 PolarHBondContact OE1-NE2 2.97Å
344L93.9Very high81.4Confident106 Ų106122.5 Ų122.556%0.55560%0.602SS**Hα-helixtrans-63.4-39.9174.6-69.8171.5000112.9R340 Q347 G348R340-L344 WeakPolarHBondContact O-CG 3.35Å; R340-L344 PolarHBondContact O-N 3.31Å; R340-L344 VanDerWaalsContact O-N 3.07Å; L344-Q347 PolarHBondContact O-N 2.83Å; L344-G348 PolarHBondContact O-N 2.94Å
345D89.8Confident79.6Confident101 Ų101122.9 Ų122.954%0.5461%0.606SS.*Hα-helixtrans-60.7-45.1175.4-177.659.2000111.2Q341 I342 E343 Q347 G348 L349Q341-D345 WeakPolarHBondContact O-CB 3.5Å; Q341-D345 PolarHBondContact O-N 3.36Å; I342-D345 PolarHBondContact O-N 2.66Å; E343-D345 PolarHBondContact O-N 3.23Å; D345-Q347 VanDerWaalsContact C-N 3.31Å; D345-Q347 PolarHBondContact O-N 3.5Å; D345-G348 PolarHBondContact O-N 3.13Å; D345-L349 WeakPolarHBondContact O-CB 3.3Å; D345-L349 PolarHBondContact O-N 3.36Å
346R90.7Very high77.7Confident178 Ų178126.3 Ų126.367%0.67263%0.627SS**Hα-helixtrans-64.8-31.4176.8-69.9174.76670.74.9113.7I342 E343I342-R346 HydrophobicContact CG2-CG 4.5Å; I342-R346 WeakPolarHBondContact O-CB 3.38Å; I342-R346 VanDerWaalsContact O-CG 3.23Å; I342-R346 WeakPolarHBondContact O-CG 3.37Å; I342-R346 PolarHBondContact O-N 3.31Å; E343-R346 PolarHBondContact O-N 3.43Å
347Q84.3Confident75.6Confident126 Ų126129.7 Ų129.759%0.58965%0.645SS**Hα-helixtrans-80.1-31.3175.3-67.5175.318.700112.4E343 L344 D345E343-Q347 WeakPolarHBondContact O-CG 3.19Å; E343-Q347 PolarHBondContact O-N 3.07Å; E343-Q347 PolarHBondContact OE1-NE2 2.97Å; L344-Q347 PolarHBondContact O-N 2.83Å; D345-Q347 VanDerWaalsContact C-N 3.31Å; D345-Q347 PolarHBondContact O-N 3.5Å
348G78.6Confident73.2Confident59 Ų59129.7 Ų129.761%0.60865%0.654SS**Hα-helixtrans-75-29.9174.100000113.9L344 D345 K350L344-G348 PolarHBondContact O-N 2.94Å; D345-G348 PolarHBondContact O-N 3.13Å; G348-K350 VanDerWaalsContact C-N 3.28Å; G348-K350 PolarHBondContact O-N 2.84Å
349L68.4Low70.6Confident115 Ų115127.8 Ų127.860%0.60266%0.658SS**  trans-7473.9-178.2-163.579.1000112.3D345 V351D345-L349 WeakPolarHBondContact O-CB 3.3Å; D345-L349 PolarHBondContact O-N 3.36Å; L349-V351 HydrophobicContact CD2-CG2 4.42Å; L349-V351 WeakPolarHBondContact O-CG2 3.45Å; L349-V351 PolarHBondContact O-N 3.13Å
350K66.1Low68.1Low192 Ų192125.8 Ų125.884%0.83567%0.667SS**  trans-63.596.3169-71.6-175.1178.91790109.9G348 S352G348-K350 VanDerWaalsContact C-N 3.28Å; G348-K350 PolarHBondContact O-N 2.84Å; K350-S352 PolarHBondContact O-N 2.89Å
351V56.2Low65Low96 Ų96120.2 Ų120.258%0.58266%0.661SS**  trans-65.492.6-178.7-176.50000110.4L349L349-V351 HydrophobicContact CD2-CG2 4.42Å; L349-V351 WeakPolarHBondContact O-CG2 3.45Å; L349-V351 PolarHBondContact O-N 3.13Å
352S49.3Very low62.6Low119 Ų119120.2 Ų120.283%0.83267%0.672SS**  trans-79.3-1.1166.658.50000112.8K350 R354K350-S352 PolarHBondContact O-N 2.89Å; S352-R354 PolarHBondContact O-N 2.86Å; S352-R354 VanDerWaalsContact O-N 3.11Å
353T52.8Low59.7Low102 Ų102124.8 Ų124.863%0.62669%0.691SS**  trans-60.6111.8169.9-42.40000109.2A355T353-A355 HydrophobicContact CG2-CB 4.27Å; T353-A355 PolarHBondContact O-N 2.89Å
354R53.1Low57.3Low250 Ų250125.7 Ų125.794%0.94371%0.706SS**  trans-71.659.7171.9-169.1-175.4174.3-171-1.8110.8S352S352-R354 PolarHBondContact O-N 2.86Å; S352-R354 VanDerWaalsContact O-N 3.11Å
355A49.9Very low54.5Low60 Ų60130 Ų13050%0.49672%0.723SS.*  trans-86.4134.4169.100000108.7T353 L357T353-A355 HydrophobicContact CG2-CB 4.27Å; T353-A355 PolarHBondContact O-N 2.89Å; A355-L357 VanDerWaalsContact C-N 3.32Å; A355-L357 PolarHBondContact O-N 3.23Å
356T50.2Low51.7Low138 Ų138129.4 Ų129.485%0.84774%0.741SS**  trans-71.586.1179.1-51.50000110.3T358T356-T358 PolarHBondContact O-N 3.1Å
357L46.9Very low48.8Very low153 Ų153124.8 Ų124.880%0.80175%0.748SS**  trans-77.1108.9169-68178.6000109.1A355 S359A355-L357 VanDerWaalsContact C-N 3.32Å; A355-L357 PolarHBondContact O-N 3.23Å; L357-S359 PolarHBondContact O-N 3.44Å
358T41.7Very low46.3Very low132 Ų132122.6 Ų122.681%0.8176%0.759SS**  trans-69.490.9169.1490000109.6T356T356-T358 PolarHBondContact O-N 3.1Å
359S41.5Very low44.1Very low99 Ų99124.4 Ų124.469%0.69277%0.768SS**  trans-64.2139.316552.90000109.7L357 A361L357-S359 PolarHBondContact O-N 3.44Å; S359-A361 PolarHBondContact O-N 2.93Å; S359-A361 VanDerWaalsContact O-N 3.13Å
360P41.5Very low42.4Very low126 Ų126123.8 Ų123.882%0.81877%0.774SS**  trans-64.1115.9170.527.8-32.9000109.2
361A29.8Very low41Very low73 Ų73124 Ų12460%0.60378%0.775SS**PPolyproline II helixtrans-76.2143.8169.100000109.5S359 E363S359-A361 PolarHBondContact O-N 2.93Å; S359-A361 VanDerWaalsContact O-N 3.13Å; A361-E363 PolarHBondContact O-N 3.29Å
362P43Very low39.8Very low120 Ų120124.1 Ų124.178%0.77979%0.786SS**PPolyproline II helixtrans-73.1122162.230.3-30.6000109P364P362-P364 WeakPolarHBondContact O-CD 3.22Å
363E33.4Very low39Very low177 Ų177125.5 Ų125.583%0.82778%0.783SS**PPolyproline II helixtrans-64.7125.3175.1-62.9-78.7108.200110.8A361A361-E363 PolarHBondContact O-N 3.29Å
364P42.8Very low38.2Very low117 Ų117128.4 Ų128.476%0.7679%0.789SS**PPolyproline II helixtrans-88130.8158.833.4-27.9000109.8P362P362-P364 WeakPolarHBondContact O-CD 3.22Å
365E34.3Very low37.1Very low198 Ų198124.7 Ų124.793%0.92578%0.783SS**PPolyproline II helixtrans-64.3149.8179.7-62.7-173.713800112.6
366G31Very low36.2Very low88 Ų88127.2 Ų127.291%0.90780%0.795SS**PPolyproline II helixtrans-76.4132.2-169.800000115
367G30.1Very low35.2Very low81 Ų81124.3 Ų124.384%0.83579%0.793SS**  trans-139.8128.5164.300000109.4
368G30.9Very low34.8Very low79 Ų79122.8 Ų122.881%0.81480%0.795SS**  trans-107.9-177.1-165.500000116.6
369A33.9Very low34.4Very low97 Ų97122.3 Ų122.380%0.80279%0.792SS**  trans91.4131.8164.400000120
370S32.7Very low34.4Very low103 Ų103122.3 Ų122.372%0.7280%0.798SS**  trans97.2113.4147-57.10000121.4
371K35.8Very low34.3Very low197 Ų197124.3 Ų124.386%0.85780%0.801SS**  trans68.298.1137.2-62177.2-178.7177.90120
372A32.2Very low34.8Very low98 Ų98124.9 Ų124.981%0.8181%0.805SS**  50.4146114.400000122.9
373L31.4Very low34.3Very low148 Ų148126.6 Ų126.678%0.77581%0.808SS**  trans116.6113.1139.3-153.470.4000117.8
374Q35.3Very low35Very low162 Ų162128.9 Ų128.976%0.75781%0.809SS**  trans65.7120.6145.2-75.5178.421.500124.2
375H29.9Very low34.9Very low173 Ų173134.9 Ų134.980%0.80182%0.816SS**  85.1156.2117-158.8-91.9000120.9
376C31.6Very low35.7Very low112 Ų112136 Ų13676%0.75781%0.812SS**  trans-68.9147.4-176.6-54.80000113.4
377G28.8Very low36Very low77 Ų77139.7 Ų139.779%0.79481%0.81SS**  trans-168.1116.6165.900000112
378S38.8Very low36.6Very low121 Ų121142.4 Ų142.485%0.84681%0.805SS**  trans-89.1140.3161.8177.70000108.7
379V34.3Very low36.8Very low123 Ų123148.7 Ų148.775%0.74581%0.81SS**  trans-175.2136.2140.11390000108.6
380A40.8Very low37Very low99 Ų99152.5 Ų152.582%0.81881%0.811SS**  trans-92.2130.1166.900000109.5
381L38.8Very low37.6Very low168 Ų168153 Ų15388%0.8881%0.812SS**  trans-140.1145.8165.9-112167.2000110.1
382A40.7Very low37.9Very low85 Ų85149.5 Ų149.570%0.70281%0.81SS**  trans-95.4160.6-161.400000113.2
383N33.2Very low38.1Very low155 Ų155152.5 Ų152.583%0.82981%0.812SS**  trans-131.2134.9148.1-155.6-29.1000109.6
384R48Very low38.8Very low225 Ų225153.2 Ų153.285%0.84981%0.813SS**  trans-109.5126.9-178.5-71.9-177.7175.2-171.8-0.1109.5
385R41.3Very low39Very low243 Ų243153.9 Ų153.992%0.91782%0.822SS**  trans-147.2115.7150.8-100.3143.3-161.3-143.91.6108.9
386R49.9Very low39.3Very low222 Ų222148.6 Ų148.684%0.83881%0.814SS**  trans-86.2129.1170.2-62.7171.573.1-167.25.1107.1
387L37.2Very low39.5Very low165 Ų165153 Ų15386%0.86482%0.821SS**  trans-131.5117.9153.8-72.9177.2000107.1
388L42.5Very low40Very low139 Ų139158.5 Ų158.573%0.72883%0.826SS**  trans-85.5141.1162.1-76.9160.4000107
389F35.9Very low40.5Very low210 Ų210161.9 Ų161.992%0.92183%0.825SS**  trans-143.5151.6141.8-92.8-66.6000109.7
390E37.8Very low40.8Very low177 Ų177165.2 Ų165.283%0.82783%0.833SS**PPolyproline II helixtrans-102.9145.9-167-161.8165.9160.600109
391P44.9Very low40.8Very low114 Ų114165.1 Ų165.174%0.7483%0.827SS**PPolyproline II helixtrans-72.5135.9-17729.4-34.2000111.1
392P42.8Very low40.9Very low124 Ų124163.6 Ų163.681%0.80582%0.824SS**PPolyproline II helixtrans-73.4141.5172.131-33.9000110.9
393D36.1Very low40.8Very low160 Ų160168.2 Ų168.286%0.85683%0.828SS**PPolyproline II helixtrans-75.2166.7-179.9-128.8-36.9000113
394M47.2Very low41.4Very low164 Ų164167.8 Ų167.881%0.80882%0.824SS**  trans-86.5109.8-179.5-65.5-88.58200112.2
395D39.4Very low40.9Very low176 Ų176168.4 Ų168.494%0.94183%0.827SS**  trans-167151135.6-115.9-33.7000113.1
396G34.8Very low41.1Very low62 Ų62162.5 Ų162.564%0.63982%0.817SS**  trans121.8118.7170.300000116.9
397F36.7Very low40.8Very low205 Ų205157.4 Ų157.490%0.89981%0.813SS**  trans-40.3147167.7-52.8-91.3000113.9
398Q38.7Very low40.7Very low192 Ų192153.9 Ų153.990%0.89781%0.808SS**  -159.7165.470.9-147.6175.666.500114.9Q400Q398-Q400 PolarHBondContact O-N 2.94Å
399K50.3Low40.6Very low191 Ų191152.9 Ų152.983%0.8381%0.807SS**  trans-75.8115.1-169-59.1163.8-176.3167.80113.6
400Q40.2Very low40.6Very low193 Ų193154.2 Ų154.290%0.90281%0.806SS**  trans-133.284.9153-71-160.8800111.4Q398Q398-Q400 PolarHBondContact O-N 2.94Å
401S41.2Very low40.4Very low98 Ų98156.2 Ų156.269%0.68581%0.808SS**  trans-87.4111.6173.846.10000111.4K403S401-K403 PolarHBondContact O-N 3.43Å
402V41Very low39.8Very low136 Ų136154.5 Ų154.582%0.82481%0.81SS**  trans-65.8106.7174.7-179.20000109.5I404V402-I404 PolarHBondContact O-N 3.26Å
403K38Very low39.3Very low181 Ų181154.3 Ų154.379%0.78781%0.811SS**  trans-76.186.1-176.2-71.5176.9-179.6169.60111.8S401 R405S401-K403 PolarHBondContact O-N 3.43Å; K403-R405 PolarHBondContact O-N 2.95Å
404I45.4Very low39.2Very low147 Ų147150.9 Ų150.975%0.75481%0.813SS**  trans-65100.8165-58.2178.3000108.5V402 V406V402-I404 PolarHBondContact O-N 3.26Å; I404-V406 HydrophobicContact CG2-CG2 4.48Å; I404-V406 PolarHBondContact O-N 3.29Å; I404-V406 VanDerWaalsContact O-N 3.08Å
405R38.4Very low38.7Very low237 Ų237146.8 Ų146.889%0.89481%0.805SS**  trans-73.493.7174.5-89.9-177.4165170.7-3.8110.3K403 P407K403-R405 PolarHBondContact O-N 2.95Å; R405-P407 WeakPolarHBondContact O-CD 3.48Å
406V44Very low38.5Very low120 Ų120143.3 Ų143.373%0.72780%0.801SS**  trans-72.6126.1162.6-177.30000108.8I404 A408I404-V406 HydrophobicContact CG2-CG2 4.48Å; I404-V406 PolarHBondContact O-N 3.29Å; I404-V406 VanDerWaalsContact O-N 3.08Å; V406-A408 PolarHBondContact O-N 3.05Å; V406-A408 VanDerWaalsContact O-N 3.15Å
407P44Very low38.6Very low114 Ų114148.6 Ų148.674%0.7481%0.814SS**  trans-66.6111.5177.7-22.534.7000112.1R405 V409R405-P407 WeakPolarHBondContact O-CD 3.48Å; P407-V409 PolarHBondContact O-N 2.98Å
408A35.6Very low38.5Very low92 Ų92151.1 Ų151.176%0.7682%0.817SS**  trans-75.4104.117500000110.7V406 R410V406-A408 PolarHBondContact O-N 3.05Å; V406-A408 VanDerWaalsContact O-N 3.15Å; A408-R410 PolarHBondContact O-N 3.48Å
409V39.8Very low38Very low118 Ų118145.2 Ų145.272%0.71581%0.808SS**  trans-67.2102.6174.2179.10000109.5P407 Y411P407-V409 PolarHBondContact O-N 2.98Å; V409-Y411 HydrophobicContact CG1-CD2 4.38Å; V409-Y411 HydrophobicContact CG1-CE2 4.17Å; V409-Y411 PolarHBondContact O-N 3.37Å
410R35.8Very low37Very low238 Ų238142.3 Ų142.390%0.89881%0.811SS**  trans-74.5109.6173.6-68.1-171.1179.6-144.52110.2A408 G412A408-R410 PolarHBondContact O-N 3.48Å; R410-G412 PolarHBondContact O-N 3.47Å
411Y34.8Very low36.5Very low219 Ų219138 Ų13886%0.85980%0.801SS**  trans-74.2103160.9-83.4-90000109.4V409 C413V409-Y411 HydrophobicContact CG1-CD2 4.38Å; V409-Y411 HydrophobicContact CG1-CE2 4.17Å; V409-Y411 PolarHBondContact O-N 3.37Å; Y411-C413 PolarHBondContact O-N 3.28Å
412G31.1Very low36.1Very low77 Ų77140.6 Ų140.679%0.79481%0.808SS**  trans-74.598.1173.600000111.3R410 G414R410-G412 PolarHBondContact O-N 3.47Å; G412-G414 PolarHBondContact O-N 3.43Å
413C32.4Very low35.7Very low120 Ų120141.4 Ų141.481%0.81181%0.807SS**  trans-8386.3169.7-165.70000109.9Y411 A415Y411-C413 PolarHBondContact O-N 3.28Å; C413-A415 VanDerWaalsContact C-N 3.32Å; C413-A415 PolarHBondContact O-N 3.39Å
414G34.6Very low35.3Very low88 Ų88140.6 Ų140.691%0.90781%0.806SS**  trans-76.376176.900000112.6G412G412-G414 PolarHBondContact O-N 3.43Å
415A35.7Very low34.5Very low78 Ų78138.3 Ų138.365%0.64580%0.803SS**  trans-11288.9174.300000110.4C413 L417C413-A415 VanDerWaalsContact C-N 3.32Å; C413-A415 PolarHBondContact O-N 3.39Å; A415-L417 PolarHBondContact O-N 3.07Å
416A36.9Very low34.1Very low104 Ų104131.6 Ų131.686%0.8680%0.798SS**  trans-77.2100.1178.700000111.2
417L37.2Very low33.4Very low172 Ų172129.6 Ų129.690%0.90180%0.802SS**  trans-112.6103.2161.5-69.8178.1000108.4A415A415-L417 PolarHBondContact O-N 3.07Å
418R32.7Very low32.8Very low258 Ų258129.4 Ų129.497%0.97481%0.81SS**  trans-93.6124177.5178.3-166.7-72.8-125.53.2109.3
419G28.6Very low32.6Very low69 Ų69129.6 Ų129.671%0.71181%0.811SS**  trans155.8153.5167.900000112.5
420C29.3Very low32.3Very low130 Ų130132.2 Ų132.288%0.87882%0.82SS**  cis-163.2110.7-14.7-165.60000110
421S30.9Very low32.3Very low101 Ų101128.9 Ų128.971%0.70682%0.815SS**  trans175.1144.8173.3420000108.2
422D31.2Very low33Very low153 Ų153123.7 Ų123.782%0.81881%0.808SS**  cis-153.5-172.2-11.4-89.4-36.7000108.3
423L33.8Very low32.9Very low154 Ų154123.9 Ų123.981%0.80681%0.81SS**  trans88.7101.4168.7-68.4162.1000119.8
424E28.6Very low32.8Very low163 Ų163122 Ų12276%0.76281%0.81SS**  68.8123.1127.7-86.2-15883.400125.1
425S28.9Very low32.7Very low99 Ų99121.4 Ų121.469%0.69281%0.805SS**  67.8100.8121-148.10000120.2
426A30.8Very low33.1Very low97 Ų97124 Ų12480%0.80282%0.815SS**  163.5142.894.700000113.8
427G29.2Very low33.1Very low78 Ų78123.3 Ų123.380%0.80481%0.809SS**  trans101.5148.3149.300000119.6
428A31.9Very low34Very low109 Ų109119.7 Ų119.790%0.90180%0.796SS**  trans60.9101.316600000118.6
429A30.6Very low34.2Very low96 Ų96117.3 Ų117.379%0.79379%0.793SS**  trans-79.9154.9170.200000113.2
430L33.2Very low34.3Very low173 Ų173117.9 Ų117.991%0.90680%0.799SS**  -169.3122.6122.9-102.7160.6000112
431E36.1Very low34.6Very low169 Ų169122.4 Ų122.479%0.7980%0.797SS**  trans-100.5174.7171.2-83.2-84.195.100109.2
432P49.2Very low34.9Very low110 Ų110125.2 Ų125.271%0.71480%0.797SS**  cis-138.3-173.2-37.937.9-21.6000112.9
433G29.1Very low35.1Very low81 Ų81126.2 Ų126.284%0.83580%0.796SS**  trans124.7136154.100000115
434G30.4Very low35Very low79 Ų79123.5 Ų123.581%0.81479%0.79SS**  cis-169.7166-5.100000111
435G32.4Very low35.1Very low76 Ų76125 Ų12578%0.78479%0.794SS**  trans-72.8179172.700000113.1
436P44.8Very low35.5Very low134 Ų134124.6 Ų124.687%0.8779%0.792SS**  cis-136.6-174.524.941.7-23.9000116
437A37.3Very low35.9Very low88 Ų88126.2 Ų126.273%0.72779%0.794SS**  trans-90-164.6162.200000109.5
438P55.2Low36.1Very low97 Ų97127.7 Ų127.763%0.6379%0.791SS**  cis-143.2-177.7-0.540.2-18.9000117.4
439F35.8Very low36.2Very low208 Ų208129.7 Ų129.791%0.91279%0.786SS**  trans62.2126.6157.7-55.4-52.6000122.1
440G32.3Very low36.4Very low80 Ų80131.8 Ų131.883%0.82578%0.784SS**  trans-148.1152.4160.800000110.5
441R35.3Very low36.4Very low226 Ų226128.3 Ų128.385%0.85378%0.775SS**  trans-142.7136-164-157.4-163.9179.7-169.44.1114.2
442K37Very low36.1Very low159 Ų159123.5 Ų123.569%0.69177%0.77SS**  trans85.2118.6164.3-54.2-171-178.2177.80119.9
443H34.4Very low35.4Very low174 Ų174127.8 Ų127.881%0.80678%0.778SS**  trans48.8143.2131.9-64.5-76.7000124.3
444S31.7Very low35.7Very low97 Ų97134.8 Ų134.868%0.67878%0.779SS**  trans70.8148.1165.270.90000115.7
445F31.8Very low36.7Very low195 Ų195137 Ų13786%0.85578%0.779SS**  cis-127.1171.210.5-86.8-95.7000113.4
446S36.7Very low36.6Very low91 Ų91137.1 Ų137.164%0.63678%0.78SS**  trans-104.1140168.655.60000112.1
447P40.6Very low36.4Very low131 Ų131140.4 Ų140.485%0.85178%0.781SS**  trans-77.4140.5162.2-8.926.4000111.1
448C31.8Very low36.1Very low109 Ų109144.5 Ų144.574%0.73679%0.79SS**  trans-127.4142171.5-68.80000110.1
449N33.9Very low35.2Very low150 Ų150146.3 Ų146.380%0.80280%0.799SS**  trans-160.7141.6165.2-94.4-25.4000106.5
450N34.9Very low35.7Very low140 Ų140141.6 Ų141.675%0.74979%0.789SS**  cis-133.5175.216.5-81.9-50.7000114.1
451S33Very low35.6Very low101 Ų101146.4 Ų146.471%0.70679%0.787SS**  trans-48.2165.516947.20000116.6
452G31.1Very low35.3Very low68 Ų68142 Ų14270%0.70178%0.781SS**  cis102.793.9-11.100000117.8
453F33.3Very low35.2Very low200 Ų200139.1 Ų139.188%0.87778%0.78SS**  trans-150.2125.1156.9-94.2-89.8000107.5
454R36.9Very low35.1Very low227 Ų227138.7 Ų138.786%0.85778%0.783SS**  cis94.3115.849.3-97.5-81.2172.6160.1-1.4113
455P51.4Low35Very low126 Ų126139.2 Ų139.282%0.81879%0.787SS**  trans-98166.1179.638.3-35.7000114.1
456G29Very low35.6Very low78 Ų78135 Ų13580%0.80478%0.779SS**  trans-137.8165.7172.700000112.9
457K41.3Very low35.3Very low203 Ų203141.4 Ų141.488%0.88379%0.789SS**  trans-125.1150.5-177.5-54.1174.3-179.4177.50111
458L31.1Very low35Very low175 Ų175142.6 Ų142.692%0.91678%0.781SS**  trans-150.1148.5145.1-83.8-171.3000111.6
459V36.1Very low34.8Very low134 Ų134143 Ų14381%0.81277%0.772SS**  trans-159.6129-179.3169.30000103.9
460P45.8Very low34.7Very low109 Ų109146 Ų14671%0.70877%0.773SS**  -159.1172.881.843.2-23.2000118.9
461K30.8Very low34.5Very low181 Ų181147.1 Ų147.179%0.78778%0.778SS**  trans66.5145150.7-113.9105.6-177.9-177.30118.4
462D29.3Very low34.6Very low135 Ų135145.8 Ų145.872%0.72278%0.78SS**  cis-149.2-163.5-12.9-135.3-11.1000106.8
463S34.6Very low34.5Very low97 Ų97149.5 Ų149.568%0.67878%0.783SS**  cis-149.4179.611.570.60000113.8
464L32.9Very low34.5Very low165 Ų165146.1 Ų146.186%0.86478%0.782SS**  trans-3.4151.8159.6-58.4174.2000122.9
465S28.7Very low34.4Very low108 Ų108141.7 Ų141.776%0.75578%0.776SS**  trans-81.9-177-174.4660000113.6
466P45Very low33.7Very low108 Ų108144.8 Ų144.870%0.70178%0.779SS**  cis-150.3-174.421.644.8-23.2000120.3
467R29.4Very low33.9Very low224 Ų224146.8 Ų146.885%0.84578%0.781SS**  trans77.9128.2167.3-72.5-166.7171.9-148.90.2117.1
468K33.8Very low34.1Very low156 Ų156143.9 Ų143.968%0.67878%0.781SS**  cis87.2120.248-170.5-177.1177.5165.30109.4
469E28.5Very low34.5Very low117 Ų117140.2 Ų140.255%0.54777%0.769SS.*  cis-168.8-174.612.3168.9175-110.800110.5
470W32Very low35.2Very low215 Ų215146.2 Ų146.281%0.81478%0.778SS**  trans99.5130.1162.8-58.794.1000119.5
471D31.5Very low35.3Very low162 Ų162151.8 Ų151.887%0.86678%0.784SS**  trans-78.9165.5177.8-56.5-92000113.6
472G33.8Very low35.9Very low73 Ų73146.5 Ų146.575%0.75378%0.782SS**  trans162.59.9165.100000120.5C474G472-C474 PolarHBondContact O-N 3.23Å
473I30.2Very low37.3Very low146 Ų146150.5 Ų150.575%0.74979%0.792SS**  trans-9295.7-171.8-51.8-178000112.8N475I473-N475 WeakPolarHBondContact CG2-ND2 3.27Å; I473-N475 PolarHBondContact O-N 3.38Å
474C32.9Very low38.4Very low129 Ų129155 Ų15587%0.87280%0.8SS**  trans-83.796.3166.8-1690000110.5G472G472-C474 PolarHBondContact O-N 3.23Å
475N34.3Very low39.6Very low135 Ų135158.7 Ų158.772%0.72280%0.802SS**PPolyproline II helixtrans-79.5133.8-178-86.2-43.7000113.3I473I473-N475 WeakPolarHBondContact CG2-ND2 3.27Å; I473-N475 PolarHBondContact O-N 3.38Å
476Q36.4Very low40.6Very low190 Ų190160.6 Ų160.689%0.88880%0.804SS**PPolyproline II helixtrans-71.3132.6-174.4-56.7179.512.600112
477S34.6Very low40.8Very low121 Ų121164.1 Ų164.185%0.84681%0.811SS**PPolyproline II helixtrans-93.8116.7177.2-70.60000112.7
478T43.9Very low41.7Very low142 Ų142163.7 Ų163.787%0.87182%0.815SS**PPolyproline II helixtrans-77.5127.4173.955.70000111
479S40.6Very low42.8Very low97 Ų97161 Ų16168%0.67881%0.812SS**  trans-155.695.3169.3-151.40000113.3R481S479-R481 PolarHBondContact O-N 2.93Å
480R49.7Very low43.9Very low261 Ų261165.3 Ų165.399%0.98583%0.829SS**  trans-72.388.1167.8-71.5-174.2174.8-156.3-0.5109.8
481R48.2Very low44.8Very low225 Ų225162 Ų16285%0.84982%0.823SS**PPolyproline II helixtrans-90.4128.9171-95.2-177.1173.7-95.7-2.1111.5S479S479-R481 PolarHBondContact O-N 2.93Å
482G44.3Very low45.6Very low71 Ų71162 Ų16273%0.73282%0.822SS**PPolyproline II helixtrans-62.1139-176.200000114.1K484G482-K484 PolarHBondContact O-N 2.81Å
483K58.8Low45.8Very low218 Ų218165.6 Ų165.695%0.94882%0.824SS**PPolyproline II helixtrans-59.4118.8174.8-122.4167179.4174.30109.5
484K57.3Low46.4Very low193 Ų193164.4 Ų164.484%0.83983%0.825SS**PPolyproline II helixtrans-75.6135.3171.3-74.8-171.5173.5-173.40109.5G482 N486G482-K484 PolarHBondContact O-N 2.81Å; K484-N486 PolarHBondContact O-N 3.21Å
485R56.9Low46.8Very low242 Ų242163 Ų16391%0.91382%0.823SS**PPolyproline II helixtrans-63.5125.6169.1171.4173.1169.4168.1-4.4109.3
486N50.4Low47.1Very low148 Ų148164.3 Ų164.379%0.79183%0.829SS**PPolyproline II helixtrans-62.3139.8174.4-67.3-11.7000110K484K484-N486 PolarHBondContact O-N 3.21Å
487Q50.2Low47.2Very low182 Ų182162.7 Ų162.785%0.8583%0.826SS**PPolyproline II helixtrans-74.4140.4167.8-68.1175.5-1900108.1T489Q487-T489 PolarHBondContact O-N 2.91Å
488K47.1Very low47.7Very low214 Ų214162.9 Ų162.993%0.9383%0.825SS**  trans-71.695.9171.9-82.8-167.7171.4-169.40108.8
489T57.3Low47.6Very low100 Ų100162 Ų16261%0.61382%0.819SS**  trans-61.6127.6151.935.70000108Q487 H491Q487-T489 PolarHBondContact O-N 2.91Å; T489-H491 PolarHBondContact O-CD2 3.13Å; T489-H491 PolarHBondContact O-N 2.93Å; T489-H491 PolarHBondContact OG1-CD2 2.99Å; T489-H491 PolarHBondContact OG1-NE2 3.1Å
490K52.5Low47.6Very low208 Ų208164.7 Ų164.790%0.90483%0.825SS**  trans-72.4104.9161.3-75.9-171.1176-172.60106
491H48.9Very low46.8Very low146 Ų146159.2 Ų159.268%0.67682%0.815SS**PPolyproline II helixtrans-74.2129164.3-68-97.6000107.1T489T489-H491 PolarHBondContact O-CD2 3.13Å; T489-H491 PolarHBondContact O-N 2.93Å; T489-H491 PolarHBondContact OG1-CD2 2.99Å; T489-H491 PolarHBondContact OG1-NE2 3.1Å
492L48.5Very low46.8Very low161 Ų161154.3 Ų154.384%0.84381%0.812SS**PPolyproline II helixtrans-92.8130.6153.6-68.4173.1000105.2P494L492-P494 WeakPolarHBondContact O-CD 3.47Å
493D39Very low46.6Very low149 Ų149155 Ų15580%0.79781%0.811SS**PPolyproline II helixtrans-74.2123177.5-62.9-60.6000109.5A495D493-A495 PolarHBondContact O-N 3.18Å; D493-A495 VanDerWaalsContact O-N 3.08Å
494P43.4Very low45.7Very low121 Ų121152.2 Ų152.279%0.78681%0.806SS**  trans-73.797.9166.430.3-30.2000107.8L492 L496L492-P494 WeakPolarHBondContact O-CD 3.47Å; P494-L496 PolarHBondContact O-N 2.95Å
495A39.8Very low44.8Very low98 Ų98152.9 Ų152.981%0.8181%0.809SS**PPolyproline II helixtrans-61.6134.9173.700000110.2D493D493-A495 PolarHBondContact O-N 3.18Å; D493-A495 VanDerWaalsContact O-N 3.08Å
496L41.9Very low44.2Very low164 Ų164153 Ų15386%0.85981%0.809SS**PPolyproline II helixtrans-62.1150.7-167.1-62.8162.3000114.1P494P494-L496 PolarHBondContact O-N 2.95Å
497D38.6Very low43.4Very low155 Ų155151.3 Ų151.383%0.82981%0.809SS**PPolyproline II helixtrans-59.5133.4168.1-56-82.2000112.1
498P45.3Very low42.6Very low126 Ų126154 Ų15482%0.81881%0.811SS**  trans-103.6105168.134.2-25.9000111.2
499V41Very low42.4Very low122 Ų122150.1 Ų150.174%0.73981%0.808SS**  trans-124.1110.7171.5173.90000108.8
500L39.6Very low41.4Very low154 Ų154150.7 Ų150.781%0.80682%0.816SS**  trans68.7136.3-176.4-49169000113.1
501D32.9Very low41Very low146 Ų146144.8 Ų144.878%0.78181%0.814SS**  cis-136160.521.7-98.8-40.6000114.5
502P48.6Very low40.7Very low122 Ų122145.5 Ų145.579%0.79282%0.818SS**  trans-105.771.6-172.240.3-34.4000115.4
503A40Very low40.6Very low85 Ų85147 Ų14770%0.70282%0.82SS**  trans-153.4149.116900000114.6
504L41.5Very low41.1Very low161 Ų161147.4 Ų147.484%0.84382%0.817SS**  trans50.897.2160.2-63.7166.2000115.9
505K38Very low41.6Very low207 Ų207144.2 Ų144.290%0.980%0.801SS**  -162.5157.265.3-89.5164.1-177.51710113.6
506R43.1Very low42.5Very low244 Ų244144.3 Ų144.392%0.92179%0.794SS**  trans-118.9103.1-170.6176.4-165.7-159.4160.95.1110.8
507S35.3Very low43.4Very low112 Ų112140.5 Ų140.578%0.78378%0.78SS**  trans177.596.6155.143.50000115.8
508R32.9Very low45Very low240 Ų240137 Ų13791%0.90677%0.767SS**  171.1148.1114.7-94.4176.2176-172.4-1.7111.4
509P43Very low47Very low131 Ų131134.5 Ų134.585%0.85175%0.749SS**  trans-90.7133.3174.434.6-31000111.6
510S36.4Very low49.3Very low112 Ų112134.4 Ų134.478%0.78374%0.741SS**  trans-140.6118.4164.352.80000108Q512S510-Q512 PolarHBondContact O-N 3.28Å
511G43.6Very low51.8Low84 Ų84131.3 Ų131.387%0.86672%0.722SS**  trans-71.8112.5-166.800000113.7
512Q42.4Very low54.7Low162 Ų162128.7 Ų128.776%0.75771%0.706SS**  trans-112.485.8154.5-75.5-166.8-56.600109.1S510 E514S510-Q512 PolarHBondContact O-N 3.28Å; Q512-E514 PolarHBondContact O-N 3.48Å
513Q46.2Very low56.9Low192 Ų192131.4 Ų131.490%0.89770%0.7SS**  trans-90.855164.1-167.8172.869.900108.9A515Q513-A515 PolarHBondContact O-N 3.5Å
514E50.7Low59.5Low157 Ų157133 Ų13373%0.73469%0.693SS**  trans-65.6119170.5-69.4-168.7175.200108.2Q512Q512-E514 PolarHBondContact O-N 3.48Å
515A53.3Low62.2Low54 Ų54129 Ų12945%0.44667%0.673SS.*  trans-72.2139.7-156.100000112.6Q513 C517 S518Q513-A515 PolarHBondContact O-N 3.5Å; A515-C517 HydrophobicContact CB-CB 4.36Å; A515-C517 PolarHBondContact O-N 2.97Å; A515-S518 PolarHBondContact O-N 2.8Å; A515-S518 PolarHBondContact O-OG 3.41Å
516P58.8Low65Low101 Ų101126.4 Ų126.466%0.65666%0.657SS**Hα-helixtrans-62.9-8.1174.827.3-35.7000113.7Q520P516-Q520 WeakPolarHBondContact O-CG 3.31Å; P516-Q520 PolarHBondContact O-N 2.95Å
517C59.8Low67.5Low84 Ų84117.5 Ų117.557%0.56864%0.636SS**Hα-helixtrans-69.2-37.6-180-1610000113.2A515 V519 Q520 Q521A515-C517 HydrophobicContact CB-CB 4.36Å; A515-C517 PolarHBondContact O-N 2.97Å; C517-V519 PolarHBondContact O-N 2.8Å; C517-Q520 PolarHBondContact O-N 2.84Å; C517-Q521 PolarHBondContact O-N 2.78Å
518S72.6Confident70.5Confident80 Ų80116.7 Ų116.756%0.55962%0.622SS**Hα-helixtrans-63.9-44.3-177.757.60000112.2A515 Q520 Q521 E522A515-S518 PolarHBondContact O-N 2.8Å; A515-S518 PolarHBondContact O-OG 3.41Å; S518-Q520 VanDerWaalsContact C-N 3.29Å; S518-Q520 PolarHBondContact O-N 3.08Å; S518-Q521 PolarHBondContact O-N 3.33Å; S518-E522 PolarHBondContact O-N 3.17Å
519V86.9Confident73.5Confident74 Ų74108 Ų10845%0.44860%0.601SS.*Hα-helixtrans-67.2-30.1176.4-178.60000111.7C517 R523C517-V519 PolarHBondContact O-N 2.8Å; V519-R523 WeakPolarHBondContact O-CD 3.41Å; V519-R523 WeakPolarHBondContact O-CG 3.23Å; V519-R523 PolarHBondContact O-N 3.12Å
520Q90.4Very high76.2Confident120 Ų120106.7 Ų106.756%0.56159%0.587SS**Hα-helixtrans-73.3-41.1173-72.7-177.64.200112.1P516 C517 S518 R523 Q524P516-Q520 WeakPolarHBondContact O-CG 3.31Å; P516-Q520 PolarHBondContact O-N 2.95Å; C517-Q520 PolarHBondContact O-N 2.84Å; S518-Q520 VanDerWaalsContact C-N 3.29Å; S518-Q520 PolarHBondContact O-N 3.08Å; Q520-R523 PolarHBondContact O-N 3.34Å; Q520-Q524 WeakPolarHBondContact O-CG 3.18Å; Q520-Q524 PolarHBondContact O-N 3.03Å; Q520-Q524 VanDerWaalsContact O-N 3.09Å
521Q91.8Very high79.1Confident89 Ų89109.5 Ų109.542%0.41658%0.58SS.*Hα-helixtrans-60.9-48.7174.1-177.756.84500110.8C517 S518 R523 Q524 D525C517-Q521 PolarHBondContact O-N 2.78Å; S518-Q521 PolarHBondContact O-N 3.33Å; Q521-R523 VanDerWaalsContact C-N 3.26Å; Q521-R523 PolarHBondContact O-N 3.12Å; Q521-Q524 WeakPolarHBondContact O-CA 3.26Å; Q521-Q524 WeakPolarHBondContact O-CB 3.49Å; Q521-Q524 PolarHBondContact O-N 3.48Å; Q521-D525 PolarHBondContact NE2-OD1 2.91Å; Q521-D525 PolarHBondContact NE2-OD2 3.04Å; Q521-D525 PolarHBondContact O-N 3.17Å
522E93.6Very high81.7Confident92 Ų92110.2 Ų110.243%0.4356%0.564SS.*Hα-helixtrans-59.8-36.2178.4-157.6-154.5175.200112.4S518 D525 R526S518-E522 PolarHBondContact O-N 3.17Å; E522-D525 PolarHBondContact O-N 3.37Å; E522-R526 VanDerWaalsContact CD-NE 3.27Å; E522-R526 VanDerWaalsContact CD-NH2 3.31Å; E522-R526 VanDerWaalsContact O-CB 3.3Å; E522-R526 WeakPolarHBondContact O-CB 3.22Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 2.88Å; E522-R526 IonicContact OE1-CZ 3.15Å; E522-R526 IonicContact OE1-NE 2.86Å; E522-R526 PolarHBondContact OE1-NE 3.33Å; E522-R526 IonicContact OE1-NH2 2.66Å; E522-R526 PolarHBondContact OE1-NH2 2.9Å; E522-R526 IonicContact OE2-CZ 3.71Å; E522-R526 IonicContact OE2-NE 3.67Å; E522-R526 IonicContact OE2-NH2 3.31Å; E522-R526 PolarHBondContact OE2-NH2 3.43Å
523R94.2Very high84.2Confident178 Ų178107 Ų10767%0.67255%0.549SS*.Hα-helixtrans-65.8-37.7173.7-74.9171-177.3-142.41.8112.5V519 Q520 Q521 A527V519-R523 WeakPolarHBondContact O-CD 3.41Å; V519-R523 WeakPolarHBondContact O-CG 3.23Å; V519-R523 PolarHBondContact O-N 3.12Å; Q520-R523 PolarHBondContact O-N 3.34Å; Q521-R523 VanDerWaalsContact C-N 3.26Å; Q521-R523 PolarHBondContact O-N 3.12Å; R523-A527 WeakPolarHBondContact O-CB 3.49Å; R523-A527 PolarHBondContact O-N 3.1Å
524Q95.6Very high86.6Confident119 Ų119106.2 Ų106.256%0.55654%0.538SS*.Hα-helixtrans-66.7-44.6174.2-68.7177.75600111.3Q520 Q521 A527 L528Q520-Q524 WeakPolarHBondContact O-CG 3.18Å; Q520-Q524 PolarHBondContact O-N 3.03Å; Q520-Q524 VanDerWaalsContact O-N 3.09Å; Q521-Q524 WeakPolarHBondContact O-CA 3.26Å; Q521-Q524 WeakPolarHBondContact O-CB 3.49Å; Q521-Q524 PolarHBondContact O-N 3.48Å; Q524-A527 WeakPolarHBondContact O-CB 3.42Å; Q524-A527 PolarHBondContact O-N 3.43Å; Q524-L528 WeakPolarHBondContact O-CB 3.47Å; Q524-L528 PolarHBondContact O-N 3.3Å
525D96.8Very high88.8Confident78 Ų78103.7 Ų103.742%0.41753%0.526SS..Hα-helixtrans-67.3-41-179.9-66.3-36.5000112.1Q521 E522 A527 L528 A529Q521-D525 PolarHBondContact NE2-OD1 2.91Å; Q521-D525 PolarHBondContact NE2-OD2 3.04Å; Q521-D525 PolarHBondContact O-N 3.17Å; E522-D525 PolarHBondContact O-N 3.37Å; D525-A527 VanDerWaalsContact C-N 3.34Å; D525-A527 PolarHBondContact O-N 3.07Å; D525-L528 PolarHBondContact O-N 3.2Å; D525-A529 WeakPolarHBondContact O-CB 3.35Å; D525-A529 PolarHBondContact O-N 3.07Å
526R97.1Very high90.8Very high151 Ų151107.1 Ų107.157%0.5753%0.531SS*.Hα-helixtrans-60-41.4170.7-73.1171.1178.8-150.710.3111.6E522 L530E522-R526 VanDerWaalsContact CD-NE 3.27Å; E522-R526 VanDerWaalsContact CD-NH2 3.31Å; E522-R526 VanDerWaalsContact O-CB 3.3Å; E522-R526 WeakPolarHBondContact O-CB 3.22Å; E522-R526 WeakPolarHBondContact O-CG 3.44Å; E522-R526 PolarHBondContact O-N 2.88Å; E522-R526 IonicContact OE1-CZ 3.15Å; E522-R526 IonicContact OE1-NE 2.86Å; E522-R526 PolarHBondContact OE1-NE 3.33Å; E522-R526 IonicContact OE1-NH2 2.66Å; E522-R526 PolarHBondContact OE1-NH2 2.9Å; E522-R526 IonicContact OE2-CZ 3.71Å; E522-R526 IonicContact OE2-NE 3.67Å; E522-R526 IonicContact OE2-NH2 3.31Å; E522-R526 PolarHBondContact OE2-NH2 3.43Å; R526-L530 WeakPolarHBondContact O-CG 3.47Å; R526-L530 PolarHBondContact O-N 3.46Å
527A96.9Very high92.3Very high58 Ų58105.7 Ų105.748%0.47952%0.518SS..Hα-helixtrans-67.6-38.6176.800000112.5R523 Q524 D525 R531R523-A527 WeakPolarHBondContact O-CB 3.49Å; R523-A527 PolarHBondContact O-N 3.1Å; Q524-A527 WeakPolarHBondContact O-CB 3.42Å; Q524-A527 PolarHBondContact O-N 3.43Å; D525-A527 VanDerWaalsContact C-N 3.34Å; D525-A527 PolarHBondContact O-N 3.07Å; A527-R531 PolarHBondContact O-N 2.85Å
528L97.2Very high93.8Very high94 Ų94106.6 Ų106.649%0.49252%0.516SS..Hα-helixtrans-65-46.1174.3179.960.2000111.4Q524 D525 L530 R531 L532Q524-L528 WeakPolarHBondContact O-CB 3.47Å; Q524-L528 PolarHBondContact O-N 3.3Å; D525-L528 PolarHBondContact O-N 3.2Å; L528-L530 VanDerWaalsContact C-N 3.35Å; L528-L530 PolarHBondContact O-N 2.85Å; L528-R531 WeakPolarHBondContact O-CB 3.38Å; L528-R531 PolarHBondContact O-N 3.09Å; L528-R531 VanDerWaalsContact O-N 3.1Å; L528-L532 HydrophobicContact CD1-CD1 4.31Å; L528-L532 HydrophobicContact CD1-CG 4.3Å; L528-L532 HydrophobicContact CG-CD1 4.11Å; L528-L532 WeakPolarHBondContact O-CG 3.5Å; L528-L532 PolarHBondContact O-N 2.91Å
529A97.2Very high94.5Very high57 Ų57109 Ų10947%0.47152%0.519SS..Hα-helixtrans-58.3-44.7176.300000111.9D525 R531 L532 Q533D525-A529 WeakPolarHBondContact O-CB 3.35Å; D525-A529 PolarHBondContact O-N 3.07Å; A529-R531 VanDerWaalsContact C-N 3.32Å; A529-R531 PolarHBondContact O-N 3.34Å; A529-L532 PolarHBondContact O-N 2.97Å; A529-Q533 WeakPolarHBondContact O-CB 3.47Å; A529-Q533 PolarHBondContact O-N 3.23Å
530L97.9Very high94.1Very high104 Ų104109 Ų10955%0.54552%0.519SS..Hα-helixtrans-64.2-34.2175-71.9171.7000112.9R526 L528 R534R526-L530 WeakPolarHBondContact O-CG 3.47Å; R526-L530 PolarHBondContact O-N 3.46Å; L528-L530 VanDerWaalsContact C-N 3.35Å; L528-L530 PolarHBondContact O-N 2.85Å; L530-R534 WeakPolarHBondContact O-CD 3.42Å; L530-R534 VanDerWaalsContact O-CG 3.22Å; L530-R534 WeakPolarHBondContact O-CG 3.37Å; L530-R534 PolarHBondContact O-N 3.04Å; L530-R534 VanDerWaalsContact O-N 3.12Å
531R97.9Very high93.3Very high172 Ų172113.8 Ų113.865%0.64953%0.532SS*.Hα-helixtrans-67.6-45.5174.3-175.3176.5179.8157.41.4111.5A527 L528 A529 R534 Q535A527-R531 PolarHBondContact O-N 2.85Å; L528-R531 WeakPolarHBondContact O-CB 3.38Å; L528-R531 PolarHBondContact O-N 3.09Å; L528-R531 VanDerWaalsContact O-N 3.1Å; A529-R531 VanDerWaalsContact C-N 3.32Å; A529-R531 PolarHBondContact O-N 3.34Å; R531-R534 PolarHBondContact O-N 2.97Å; R531-Q535 WeakPolarHBondContact O-CG 3.44Å; R531-Q535 PolarHBondContact O-N 3.44Å
532L97.6Very high92.2Very high98 Ų98119.9 Ų119.951%0.51355%0.551SS.*Hα-helixtrans-64.5-42.6177.6-68.1172.1000111.8L528 A529 R534 Q535 F536L528-L532 HydrophobicContact CD1-CD1 4.31Å; L528-L532 HydrophobicContact CD1-CG 4.3Å; L528-L532 HydrophobicContact CG-CD1 4.11Å; L528-L532 WeakPolarHBondContact O-CG 3.5Å; L528-L532 PolarHBondContact O-N 2.91Å; A529-L532 PolarHBondContact O-N 2.97Å; L532-R534 PolarHBondContact O-N 3.18Å; L532-Q535 WeakPolarHBondContact O-CB 3.4Å; L532-Q535 PolarHBondContact O-N 2.88Å; L532-F536 PolarHBondContact O-N 3.33Å
533Q96.4Very high90.8Very high96 Ų96119.2 Ų119.245%0.44955%0.553SS.*Hα-helixtrans-59.1-47174.5-176.259.750.600111.3A529 Q535 F536 D537A529-Q533 WeakPolarHBondContact O-CB 3.47Å; A529-Q533 PolarHBondContact O-N 3.23Å; Q533-Q535 VanDerWaalsContact C-N 3.3Å; Q533-Q535 PolarHBondContact O-N 3.01Å; Q533-F536 PolarHBondContact O-N 2.85Å; Q533-F536 VanDerWaalsContact O-N 3.17Å; Q533-D537 VanDerWaalsContact NE2-CG 3.28Å; Q533-D537 PolarHBondContact NE2-OD1 3.24Å; Q533-D537 PolarHBondContact NE2-OD2 3.37Å; Q533-D537 VanDerWaalsContact NE2-OD2 3.13Å; Q533-D537 VanDerWaalsContact O-CG 3.28Å; Q533-D537 PolarHBondContact O-N 2.9Å
534R96.7Very high89.1Confident175 Ų175113.7 Ų113.766%0.6654%0.542SS*.Hα-helixtrans-60.3-36.9175.5-71.9169.2-175.3-168.42.6112.8L530 R531 L532 L538L530-R534 WeakPolarHBondContact O-CD 3.42Å; L530-R534 VanDerWaalsContact O-CG 3.22Å; L530-R534 WeakPolarHBondContact O-CG 3.37Å; L530-R534 PolarHBondContact O-N 3.04Å; L530-R534 VanDerWaalsContact O-N 3.12Å; R531-R534 PolarHBondContact O-N 2.97Å; L532-R534 PolarHBondContact O-N 3.18Å; R534-L538 WeakPolarHBondContact O-CB 3.5Å; R534-L538 WeakPolarHBondContact O-CD1 3.34Å; R534-L538 VanDerWaalsContact O-CG 3.22Å; R534-L538 WeakPolarHBondContact O-CG 3.32Å; R534-L538 PolarHBondContact O-N 3.41Å; R534-L538 VanDerWaalsContact O-N 3.08Å
535Q95.8Very high87.4Confident104 Ų104114.2 Ų114.249%0.48656%0.556SS.*Hα-helixtrans-66.3-45.4174.5-72.9177-108.900111.4R531 L532 Q533 L538 E539R531-Q535 WeakPolarHBondContact O-CG 3.44Å; R531-Q535 PolarHBondContact O-N 3.44Å; L532-Q535 WeakPolarHBondContact O-CB 3.4Å; L532-Q535 PolarHBondContact O-N 2.88Å; Q533-Q535 VanDerWaalsContact C-N 3.3Å; Q533-Q535 PolarHBondContact O-N 3.01Å; Q535-L538 PolarHBondContact O-N 3.49Å; Q535-E539 WeakPolarHBondContact O-CB 3.27Å; Q535-E539 PolarHBondContact O-N 3.3Å
536F94.9Very high85.3Confident126 Ų126115.2 Ų115.255%0.55356%0.561SS**Hα-helixtrans-60.7-45.4175.6-178.1-98.8000112.1L532 Q533 L538 E539 V540L532-F536 PolarHBondContact O-N 3.33Å; Q533-F536 PolarHBondContact O-N 2.85Å; Q533-F536 VanDerWaalsContact O-N 3.17Å; F536-L538 VanDerWaalsContact C-N 3.33Å; F536-L538 PolarHBondContact O-N 2.88Å; F536-E539 PolarHBondContact O-N 3.07Å; F536-E539 VanDerWaalsContact O-N 3.12Å; F536-V540 HydrophobicContact CD1-CG2 3.99Å; F536-V540 HydrophobicContact CD2-CG2 4.5Å; F536-V540 HydrophobicContact CE1-CG2 3.59Å; F536-V540 HydrophobicContact CE2-CG2 4.14Å; F536-V540 HydrophobicContact CG-CG2 4.43Å; F536-V540 HydrophobicContact CZ-CG2 3.68Å; F536-V540 WeakPolarHBondContact O-CB 3.36Å; F536-V540 WeakPolarHBondContact O-CG2 3.48Å; F536-V540 PolarHBondContact O-N 3.48Å
537D91.3Very high83.3Confident70 Ų70117.7 Ų117.737%0.37457%0.57SS.*Hα-helixtrans-64.5-36.4178.5-66.5-33.6000112.3Q533 R541Q533-D537 VanDerWaalsContact NE2-CG 3.28Å; Q533-D537 PolarHBondContact NE2-OD1 3.24Å; Q533-D537 PolarHBondContact NE2-OD2 3.37Å; Q533-D537 VanDerWaalsContact NE2-OD2 3.13Å; Q533-D537 VanDerWaalsContact O-CG 3.28Å; Q533-D537 PolarHBondContact O-N 2.9Å; D537-R541 VanDerWaalsContact O-CB 3.31Å; D537-R541 WeakPolarHBondContact O-CB 3.22Å; D537-R541 WeakPolarHBondContact O-CG 3.42Å; D537-R541 PolarHBondContact O-N 2.86Å
538L91.1Very high81.1Confident103 Ų103122.9 Ų122.954%0.53958%0.579SS.*Hα-helixtrans-67.1-37.6172.3-74.8169.5000112R534 Q535 F536 R541 R542R534-L538 WeakPolarHBondContact O-CB 3.5Å; R534-L538 WeakPolarHBondContact O-CD1 3.34Å; R534-L538 VanDerWaalsContact O-CG 3.22Å; R534-L538 WeakPolarHBondContact O-CG 3.32Å; R534-L538 PolarHBondContact O-N 3.41Å; R534-L538 VanDerWaalsContact O-N 3.08Å; Q535-L538 PolarHBondContact O-N 3.49Å; F536-L538 VanDerWaalsContact C-N 3.33Å; F536-L538 PolarHBondContact O-N 2.88Å; L538-R541 PolarHBondContact O-N 3.35Å; L538-R542 WeakPolarHBondContact O-CB 3.44Å; L538-R542 VanDerWaalsContact O-CG 3.27Å; L538-R542 WeakPolarHBondContact O-CG 3.25Å; L538-R542 PolarHBondContact O-N 2.9Å
539E86.7Confident79.1Confident131 Ų131126.2 Ų126.261%0.61259%0.589SS**Hα-helixtrans-73-39.1177.9-173.1145.7-14500112.3Q535 F536 R541 R542 T543Q535-E539 WeakPolarHBondContact O-CB 3.27Å; Q535-E539 PolarHBondContact O-N 3.3Å; F536-E539 PolarHBondContact O-N 3.07Å; F536-E539 VanDerWaalsContact O-N 3.12Å; E539-R541 VanDerWaalsContact C-N 3.34Å; E539-R541 PolarHBondContact O-N 3.13Å; E539-R542 PolarHBondContact O-N 2.9Å; E539-T543 VanDerWaalsContact O-CB 3.26Å; E539-T543 WeakPolarHBondContact O-CB 3.24Å; E539-T543 PolarHBondContact O-N 2.84Å; E539-T543 PolarHBondContact O-OG1 2.82Å
540V78.9Confident77Confident75 Ų75131.1 Ų131.146%0.45561%0.607SS.*Hα-helixtrans-63.2-38.9170.6170.10000111.2F536F536-V540 HydrophobicContact CD1-CG2 3.99Å; F536-V540 HydrophobicContact CD2-CG2 4.5Å; F536-V540 HydrophobicContact CE1-CG2 3.59Å; F536-V540 HydrophobicContact CE2-CG2 4.14Å; F536-V540 HydrophobicContact CG-CG2 4.43Å; F536-V540 HydrophobicContact CZ-CG2 3.68Å; F536-V540 WeakPolarHBondContact O-CB 3.36Å; F536-V540 WeakPolarHBondContact O-CG2 3.48Å; F536-V540 PolarHBondContact O-N 3.48Å
541R73.4Confident74.8Confident219 Ų219136.7 Ų136.783%0.82662%0.621SS**Hα-helixtrans-74.6-24.6176.3-71.2175.474.1158.44.3113.7D537 L538 E539D537-R541 VanDerWaalsContact O-CB 3.31Å; D537-R541 WeakPolarHBondContact O-CB 3.22Å; D537-R541 WeakPolarHBondContact O-CG 3.42Å; D537-R541 PolarHBondContact O-N 2.86Å; L538-R541 PolarHBondContact O-N 3.35Å; E539-R541 VanDerWaalsContact C-N 3.34Å; E539-R541 PolarHBondContact O-N 3.13Å
542R69.4Low72.4Confident217 Ų217131.9 Ų131.982%0.81961%0.613SS**Hα-helixtrans-83-30.6172.2-77.4172.7167.7-177.5-4.1112.8L538 E539 S544L538-R542 WeakPolarHBondContact O-CB 3.44Å; L538-R542 VanDerWaalsContact O-CG 3.27Å; L538-R542 WeakPolarHBondContact O-CG 3.25Å; L538-R542 PolarHBondContact O-N 2.9Å; E539-R542 PolarHBondContact O-N 2.9Å; R542-S544 PolarHBondContact O-N 2.77Å; R542-S544 VanDerWaalsContact O-N 3.1Å
543T62.9Low70Confident78 Ų78136.5 Ų136.548%0.47962%0.624SS.*SBendtrans-80.786.4175.3-54.50000109.4E539E539-T543 VanDerWaalsContact O-CB 3.26Å; E539-T543 WeakPolarHBondContact O-CB 3.24Å; E539-T543 PolarHBondContact O-N 2.84Å; E539-T543 PolarHBondContact O-OG1 2.82Å
544S59.1Low67.8Low63 Ų63143.1 Ų143.144%0.44165%0.645SS.*  trans-50.8126.4-177.755.30000111.9R542 D546 R547R542-S544 PolarHBondContact O-N 2.77Å; R542-S544 VanDerWaalsContact O-N 3.1Å; S544-D546 PolarHBondContact O-N 3.17Å; S544-R547 PolarHBondContact O-N 3.11Å; S544-R547 VanDerWaalsContact O-N 3.13Å
545P60.3Low65.8Low130 Ų130139.2 Ų139.284%0.84465%0.645SS**THydrogen-bonded Turntrans-57.7-21.7-175.8-29.636000114.9
546D53.6Low63.7Low98 Ų98139.6 Ų139.652%0.52465%0.654SS.*THydrogen-bonded Turntrans-95.511.4-175.4-148.426.2000113.8S544 Y548S544-D546 PolarHBondContact O-N 3.17Å; D546-Y548 PolarHBondContact O-N 2.98Å
547R54.2Low61.4Low203 Ų203140.3 Ų140.377%0.76666%0.66SS**SBendtrans-72.5-1.1172.9-139.6174.8-170.2178.23113.7S544S544-R547 PolarHBondContact O-N 3.11Å; S544-R547 VanDerWaalsContact O-N 3.13Å
548Y51.5Low59.3Low168 Ų168144.6 Ų144.666%0.65968%0.682SS**  trans-128.377176.4-64-77.7000112D546 L550 R551D546-Y548 PolarHBondContact O-N 2.98Å; Y548-L550 PolarHBondContact O-N 3.45Å; Y548-R551 PolarHBondContact O-N 3.35Å
549F54Low57.3Low163 Ų163150.7 Ų150.772%0.71570%0.698SS**THydrogen-bonded Turntrans-48.7-18.2174.2-74-79000115.2R551F549-R551 PolarHBondContact O-N 3.14Å
550L53.4Low55.7Low160 Ų160155.7 Ų155.784%0.83871%0.712SS**THydrogen-bonded Turntrans-79.7-1.5-177.9-61.8174.9000115.4Y548Y548-L550 PolarHBondContact O-N 3.45Å
551R51.5Low54.3Low221 Ų221163.6 Ų163.683%0.83473%0.733SS**SBendtrans-116.3-6.8-177.7-55.3-166.388.6-158.87.8116Y548 F549 W553Y548-R551 PolarHBondContact O-N 3.35Å; F549-R551 PolarHBondContact O-N 3.14Å; R551-W553 VanDerWaalsContact C-N 3.32Å; R551-W553 PolarHBondContact O-N 3.01Å
552S47.7Very low53.5Low71 Ų71164.9 Ų164.950%0.49774%0.738SS.*THydrogen-bonded Turntrans-82.13-174.555.60000115.8R554S552-R554 PolarHBondContact O-N 3.08Å; S552-R554 VanDerWaalsContact O-N 3.08Å
553W47.5Very low52.2Low195 Ų195157.9 Ų157.974%0.73973%0.734SS**THydrogen-bonded Turntrans-51.5-31.7177.4169.7-109.6000114.5R551 S555R551-W553 VanDerWaalsContact C-N 3.32Å; R551-W553 PolarHBondContact O-N 3.01Å; W553-S555 PolarHBondContact O-N 3.03Å
554R50.6Low51.5Low235 Ų235161.9 Ų161.989%0.88775%0.751SS**SBendtrans-93.664.6-178.7-70-166.2175.4-155.41.2113.8S552S552-R554 PolarHBondContact O-N 3.08Å; S552-R554 VanDerWaalsContact O-N 3.08Å
555S55Low50.8Low94 Ų94171 Ų17166%0.65778%0.776SS**SBendtrans-151.1-51.8165.7-171.30000115.1W553W553-S555 PolarHBondContact O-N 3.03Å
556T51Low50.1Low112 Ų112170.4 Ų170.469%0.68777%0.77SS**SBendtrans-83-30.7-161.152.40000115.4N558 R559T556-N558 VanDerWaalsContact C-N 3.31Å; T556-N558 PolarHBondContact O-N 3.26Å; T556-R559 PolarHBondContact O-N 3.4Å
557Q47Very low49.6Very low141 Ų141171.3 Ų171.366%0.65978%0.784SS**G310 helixtrans-69.5-22.2-166.6-153.1175.427.100114.7
558N46.2Very low49.2Very low160 Ų160172.3 Ų172.386%0.85679%0.788SS**G310 helixtrans-85.5-6.9-177.5-92-40.7000115.3T556T556-N558 VanDerWaalsContact C-N 3.31Å; T556-N558 PolarHBondContact O-N 3.26Å
559R49.7Very low49.2Very low231 Ų231170.2 Ų170.287%0.87280%0.795SS**G310 helixtrans-86.6-8.6-177.7-78.5-168.5176.2-1670.2115.7T556T556-R559 PolarHBondContact O-N 3.4Å
560R52.8Low49.2Very low236 Ų236170.1 Ų170.189%0.89180%0.8SS**SBendtrans-107.511.1-170.2-72.1-164.1177.3-1462117.2
561R50.4Low49Very low241 Ų241167.4 Ų167.491%0.90979%0.794SS**SBendtrans-138.941.8179.5-68.2-168.5-178.6-97.93.3115.6
562R55.4Low49.1Very low245 Ų245166.6 Ų166.693%0.92580%0.797SS**  trans-138.7133.4161.5-68.4-168.3-179.2-136.4-0.9110
563G43.2Very low49.5Very low71 Ų71172.1 Ų172.173%0.73281%0.812SS**  trans86.5133.6-162.100000110.9
564L48.3Very low49.3Very low161 Ų161174.9 Ų174.984%0.84384%0.84SS**  cis-123.8129.50.6-70.2156.3000109.7
565R43.2Very low49.2Very low254 Ų254171.9 Ų171.996%0.95884%0.838SS**  trans-111.391.6158.9-95.2-170.1172.2-174.4-2.4107.7S567R565-S567 PolarHBondContact O-N 3.36Å
566T45.7Very low48.9Very low119 Ų119175.9 Ų175.973%0.7385%0.847SS**  trans-74.6100.5172.834.20000109.5R568T566-R568 PolarHBondContact O-N 3.33Å
567S43.7Very low48.8Very low117 Ų117179.5 Ų179.582%0.81886%0.856SS**  trans-70.594.1173.650.40000110.3R565 P569R565-S567 PolarHBondContact O-N 3.36Å; S567-P569 WeakPolarHBondContact O-CD 3.03Å
568R45Very low48.9Very low224 Ų224181.8 Ų181.885%0.84587%0.867SS**  trans-72.6122.6166.6-75.2-174.2170.5-171-3109.5T566T566-R568 PolarHBondContact O-N 3.33Å
569P51.1Low49.1Very low123 Ų123183.1 Ų183.180%0.79987%0.868SS**  trans-71.5126.6164.230.3-31.6000108.7S567 S571S567-P569 WeakPolarHBondContact O-CD 3.03Å; P569-S571 PolarHBondContact O-N 3.38Å
570I53.9Low49Very low161 Ų161179.9 Ų179.983%0.82687%0.868SS**  trans-82.6100170.7-62.1175.1000107.1K572I570-K572 PolarHBondContact O-N 3.21Å
571S50.1Low48.8Very low103 Ų103175.9 Ų175.972%0.7287%0.866SS**  trans-68.1109.6168.853.40000109.4P569 K573P569-S571 PolarHBondContact O-N 3.38Å; S571-K573 PolarHBondContact O-N 3.21Å
572K53.3Low48.6Very low204 Ų204170.9 Ų170.989%0.88786%0.863SS**  trans-67.6125161.4-67.8-171.6177-171.50108.4I570I570-K572 PolarHBondContact O-N 3.21Å
573K56Low48.1Very low188 Ų188164.8 Ų164.882%0.81786%0.858SS**  trans-119.1134.1155.6-81.4-168.4171.2-170.70107S571S571-K573 PolarHBondContact O-N 3.21Å
574L43.3Very low48.5Very low252 Ų252173.3 Ų173.3100%1.31987%0.869SS**  trans23.50160.7-60.7167.2000114.8

Retrieved 574 of 574 residues in 84.6 ms (Link to these results)