A0A087XW15_POEFO Loading...

GC-rich promoter binding protein 1 like 1

AlphaFold DB , UniProt , Accession A0A087XW15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 497 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low65.1Low242 Ų242131.7 Ų131.7100%1.19268%0.684SS**  0142.50-68.514071.200107.8
2A50.7Low65.7Low82 Ų82128.8 Ų128.868%0.67867%0.67SS**  trans-80.1128.6172.800000109.2H4A2-H4 PolarHBondContact O-N 3.34Å; A2-H4 VanDerWaalsContact O-N 3.14Å
3Q60.8Low65.9Low165 Ų165131.8 Ų131.877%0.77168%0.675SS**  trans-77.897172.9-177.7177.1-31.500108.3D5Q3-D5 PolarHBondContact NE2-OD1 3.24Å; Q3-D5 PolarHBondContact O-N 3.05Å
4H62.6Low65.2Low146 Ų146131 Ų13168%0.67669%0.687SS**  trans-81.3110.2165.5-75.7-92.5000108A2 F6A2-H4 PolarHBondContact O-N 3.34Å; A2-H4 VanDerWaalsContact O-N 3.14Å; H4-F6 HydrophobicContact CB-CE2 4.4Å; H4-F6 WeakPolarHBondContact O-CD2 3.47Å; H4-F6 PolarHBondContact O-N 2.77Å
5D71.3Confident64.8Low111 Ų111129.7 Ų129.759%0.59469%0.687SS**  trans-68112.5169.4-71-33.5000108.5Q3 V7Q3-D5 PolarHBondContact NE2-OD1 3.24Å; Q3-D5 PolarHBondContact O-N 3.05Å; D5-V7 HydrophobicContact CB-CG2 4.22Å; D5-V7 PolarHBondContact O-N 3.05Å
6F68.4Low64Low202 Ų202129.1 Ų129.189%0.88669%0.692SS**  trans-74.336.9178-84.7-93.1000112.6H4 P8H4-F6 HydrophobicContact CB-CE2 4.4Å; H4-F6 WeakPolarHBondContact O-CD2 3.47Å; H4-F6 PolarHBondContact O-N 2.77Å; F6-P8 WeakPolarHBondContact O-CD 3.28Å
7V73.5Confident63.5Low57 Ų57131.2 Ų131.235%0.34570%0.697SS.*  trans-78.1121.3174.9178.30000108.1D5 L11 N12D5-V7 HydrophobicContact CB-CG2 4.22Å; D5-V7 PolarHBondContact O-N 3.05Å; V7-L11 HydrophobicContact CG1-CB 3.78Å; V7-L11 HydrophobicContact CG1-CD2 4.41Å; V7-L11 HydrophobicContact CG1-CG 4.18Å; V7-L11 WeakPolarHBondContact CG1-O 3.47Å; V7-N12 PolarHBondContact O-ND2 2.76Å
8P73.1Confident62.4Low60 Ų60130.1 Ų130.139%0.3970%0.699SS.*  trans-54.7147175.8-26.535.6000111.5F6 W10 L11 N12F6-P8 WeakPolarHBondContact O-CD 3.28Å; P8-W10 HydrophobicContact CB-CD2 4.27Å; P8-W10 HydrophobicContact CB-CG 4.25Å; P8-W10 HydrophobicContact CB-CZ2 4.26Å; P8-W10 VanDerWaalsContact CB-NE1 3.3Å; P8-W10 HydrophobicContact CG-CZ2 4.27Å; P8-W10 PolarHBondContact O-N 2.85Å; P8-L11 PolarHBondContact O-N 3.06Å; P8-N12 PolarHBondContact O-N 3.13Å
9A67.3Low61.1Low95 Ų95128.4 Ų128.479%0.78571%0.705SS**G310 helixtrans-57.5-25.5-173.700000114.2
10W72.6Confident60.4Low213 Ų213132.3 Ų132.381%0.80771%0.714SS**G310 helixtrans-78.3-13.6175.758.4-100000114.7P8P8-W10 HydrophobicContact CB-CD2 4.27Å; P8-W10 HydrophobicContact CB-CG 4.25Å; P8-W10 HydrophobicContact CB-CZ2 4.26Å; P8-W10 VanDerWaalsContact CB-NE1 3.3Å; P8-W10 HydrophobicContact CG-CZ2 4.27Å; P8-W10 PolarHBondContact O-N 2.85Å
11L74.6Confident59.4Low76 Ų76131.2 Ų131.240%0.39872%0.717SS.*G310 helixtrans-1095.6179.8-16465.9000112.4V7 P8 F13V7-L11 HydrophobicContact CG1-CB 3.78Å; V7-L11 HydrophobicContact CG1-CD2 4.41Å; V7-L11 HydrophobicContact CG1-CG 4.18Å; V7-L11 WeakPolarHBondContact CG1-O 3.47Å; P8-L11 PolarHBondContact O-N 3.06Å; L11-F13 HydrophobicContact CD1-CE2 3.91Å; L11-F13 WeakPolarHBondContact O-CD2 3.36Å; L11-F13 PolarHBondContact O-N 2.8Å
12N72.4Confident59.3Low97 Ų97125.7 Ų125.752%0.51970%0.699SS.*  trans-78.384.3179.5-109.2-50.1000111.6V7 P8 S14V7-N12 PolarHBondContact O-ND2 2.76Å; P8-N12 PolarHBondContact O-N 3.13Å; N12-S14 PolarHBondContact O-N 2.83Å
13F69Low58.6Low167 Ų167126.4 Ų126.473%0.73271%0.705SS**  trans-68118.7167.3-64.1-79.8000109.8L11 T15L11-F13 HydrophobicContact CD1-CE2 3.91Å; L11-F13 WeakPolarHBondContact O-CD2 3.36Å; L11-F13 PolarHBondContact O-N 2.8Å; F13-T15 PolarHBondContact O-N 2.81Å
14S56.5Low57.5Low121 Ų121123 Ų12385%0.84671%0.705SS**  trans-58.597.1-177.8-61.10000112.7N12 P16N12-S14 PolarHBondContact O-N 2.83Å; S14-P16 WeakPolarHBondContact O-CD 3.43Å; S14-P16 VanDerWaalsContact O-N 3.15Å
15T59Low56.1Low112 Ų112124.1 Ų124.169%0.68772%0.716SS**  trans-56.7116.3176.5-46.50000109.9F13 Q17F13-T15 PolarHBondContact O-N 2.81Å; T15-Q17 PolarHBondContact O-N 2.87Å
16P51.5Low54.5Low119 Ų119126.2 Ų126.277%0.77373%0.726SS**  trans-66.4113.6-176.525.7-33.1000109.7S14S14-P16 WeakPolarHBondContact O-CD 3.43Å; S14-P16 VanDerWaalsContact O-N 3.15Å
17Q55.6Low52.9Low165 Ų165122.3 Ų122.377%0.77172%0.715SS**  trans-61.2134.1176.5-71.4-67.2-47.500109.9T15 A19T15-Q17 PolarHBondContact O-N 2.87Å; Q17-A19 PolarHBondContact O-N 3.26Å
18P43.8Very low51.3Low112 Ų112127.6 Ų127.673%0.72773%0.733SS**  trans-65.7109.6179.426.3-33.3000109.8K20P18-K20 PolarHBondContact O-N 2.98Å; P18-K20 VanDerWaalsContact O-N 3.1Å
19A37.7Very low49.5Very low98 Ų98134 Ų13481%0.8176%0.758SS**  trans-64.2111.5-17900000110.6Q17 S21Q17-A19 PolarHBondContact O-N 3.26Å; A19-S21 PolarHBondContact O-N 2.68Å
20K47.7Very low47.7Very low205 Ų205133 Ų13389%0.89176%0.757SS**  trans-70.4109.1169.2-72.1-179.6177177.80108.9P18P18-K20 PolarHBondContact O-N 2.98Å; P18-K20 VanDerWaalsContact O-N 3.1Å
21S38.2Very low45.8Very low110 Ų110131.9 Ų131.977%0.76976%0.76SS**PPolyproline II helixtrans-70.1127.9169.5420000110.5A19 A23A19-S21 PolarHBondContact O-N 2.68Å; S21-A23 PolarHBondContact O-N 3.43Å
22P39.7Very low44.6Very low127 Ų127132.1 Ų132.183%0.82577%0.766SS**PPolyproline II helixtrans-74.9118.8162.330.2-29.8000108.2
23A34.9Very low42.8Very low96 Ų96137 Ų13779%0.79379%0.785SS**PPolyproline II helixtrans-67.4150.1171.400000110.4S21S21-A23 PolarHBondContact O-N 3.43Å
24A38.3Very low41.6Very low94 Ų94138 Ų13878%0.77779%0.792SS**PPolyproline II helixtrans-64.1144175.200000111.2
25N32.6Very low40.5Very low169 Ų169140.5 Ų140.590%0.90479%0.79SS**  trans-139.9126.2156.9-119.9-112.2000109.3
26L38.2Very low39.3Very low156 Ų156145.1 Ų145.182%0.81780%0.795SS**  trans-112.7108.7179.9167.479.2000106.3
27D34.8Very low38.5Very low120 Ų120146.6 Ų146.664%0.64280%0.796SS**  trans-168.5114144.7-103.6-34.6000114.7
28K40.3Very low37.8Very low168 Ų168143.1 Ų143.173%0.7380%0.796SS**  47.9121.3127.9-67.1-176.1-164.61000122.5
29Q34.1Very low37.9Very low195 Ų195149.1 Ų149.191%0.91180%0.804SS**  trans84.3140.5135.9-63.4-68.9-6.300120.7
30G30.7Very low38.3Very low74 Ų74150.3 Ų150.376%0.76380%0.803SS**  trans135.2113.6170.300000114.5
31E31.8Very low38.1Very low189 Ų189145 Ų14588%0.88380%0.797SS**  trans-98.3-172172.1-136-140.4153.400110.7
32P51.1Low38.3Very low80 Ų80146 Ų14652%0.51980%0.799SS.*  -121.9152.7-123.436.7-17.6000114.2
33H33.3Very low38.3Very low199 Ų199144.7 Ų144.792%0.92179%0.793SS**  trans-131.1124.7164.8-96.126.7000111.7
34H43.2Very low38.9Very low189 Ų189151 Ų15188%0.87580%0.796SS**  trans-75.9131.1170.5-64.3-81.3000110.1
35H34.4Very low39.2Very low174 Ų174155.9 Ų155.981%0.80679%0.794SS**  trans-135.8147.5148.5-158.1-81.3000110.6
36R34Very low40Very low208 Ų208159 Ų15979%0.78579%0.793SS**  trans-60.2151.4174.2-58.8179169-177.8-2.7110.2
37D34Very low40.2Very low150 Ų150160.1 Ų160.180%0.80279%0.794SS**  -152155.465-95.3-39.9000117.1
38A42Very low40.5Very low92 Ų92160.5 Ų160.576%0.7680%0.796SS**  trans-98.1118.8-17100000113.1
39R45.3Very low40.9Very low239 Ų239158.2 Ų158.290%0.90280%0.801SS**  trans-142.3112.6153.4-59.7-171.5-153.2-165.98.3109.5A41R39-A41 PolarHBondContact O-N 2.71Å
40P46.7Very low41.7Very low122 Ų122153.3 Ų153.379%0.79279%0.788SS**  trans-68.8104.5165.928.4-31.4000108.2V42P40-V42 PolarHBondContact O-N 2.93Å
41A41.8Very low42.4Very low93 Ų93157.4 Ų157.477%0.76979%0.793SS**  trans-61.4120.8171.900000108.5R39 S43R39-A41 PolarHBondContact O-N 2.71Å; A41-S43 PolarHBondContact O-N 3.18Å
42V43.7Very low43.3Very low132 Ų132151.5 Ų151.580%0.878%0.783SS**  trans-73.276.7178.7-1760000109.1P40 R44P40-V42 PolarHBondContact O-N 2.93Å; V42-R44 HydrophobicContact CG1-CG 4.43Å; V42-R44 PolarHBondContact O-N 2.82Å
43S38.9Very low43.3Very low100 Ų100156.6 Ų156.670%0.69980%0.797SS**  trans-62.1103165.7-176.80000107.5A41 R45A41-S43 PolarHBondContact O-N 3.18Å; S43-R45 PolarHBondContact O-N 3.38Å
44R47.7Very low43.6Very low228 Ų228157.2 Ų157.286%0.8680%0.798SS**  trans-71.161.6167.1-71-173174.3-170.1-1.6109.3V42 R46V42-R44 HydrophobicContact CG1-CG 4.43Å; V42-R44 PolarHBondContact O-N 2.82Å; R44-R46 PolarHBondContact O-N 3.29Å
45R44Very low43.8Very low196 Ų196155.4 Ų155.474%0.7479%0.794SS**  trans-59.7103.9170.6-172.4179.3-164.2-98.33.1106.5S43 H47S43-R45 PolarHBondContact O-N 3.38Å; R45-H47 PolarHBondContact O-N 3.29Å
46R49.8Very low44.3Very low234 Ų234154.9 Ų154.988%0.88380%0.798SS**  trans-52.4116176.8-74.2175.7169.3-102.44108R44 N48R44-R46 PolarHBondContact O-N 3.29Å; R46-N48 PolarHBondContact O-N 3.49Å; R46-N48 VanDerWaalsContact O-N 3.08Å
47H42.2Very low44.3Very low180 Ų180148 Ų14883%0.83379%0.791SS**  trans-70105.3177.2-56.7-85.2000107.7R45 S49R45-H47 PolarHBondContact O-N 3.29Å; H47-S49 PolarHBondContact O-N 3.37Å
48N41.7Very low44.8Very low129 Ų129146.3 Ų146.369%0.6979%0.791SS**  trans-81.7109.8166.9-174.830.2000108.1R46 S50R46-N48 PolarHBondContact O-N 3.49Å; R46-N48 VanDerWaalsContact O-N 3.08Å; N48-S50 PolarHBondContact ND2-OG 3.25Å; N48-S50 PolarHBondContact O-N 2.86Å
49S49.4Very low44.7Very low119 Ų119149.4 Ų149.483%0.83279%0.794SS**THydrogen-bonded Turntrans-89.170.1-173.755.20000111.6H47H47-S49 PolarHBondContact O-N 3.37Å
50S50.3Low44.3Very low92 Ų92149.2 Ų149.264%0.64379%0.793SS**THydrogen-bonded Turntrans-148.5-2.9176.471.90000116N48N48-S50 PolarHBondContact ND2-OG 3.25Å; N48-S50 PolarHBondContact O-N 2.86Å
51D45.6Very low44Very low160 Ų160147.5 Ų147.586%0.85679%0.79SS**  trans-113.157.9-161.8-153.422.2000111.3
52G50.5Low44.1Very low65 Ų65149.1 Ų149.167%0.6779%0.792SS**  trans-137.28.7-162.700000117.1
53F50.1Low43.8Very low188 Ų188148 Ų14883%0.82580%0.797SS**SBendtrans-131.5154.4174.8-80.8-92.7000110.4
54F41.3Very low43.6Very low212 Ų212146.8 Ų146.893%0.9380%0.8SS**  trans6949.1-174.3-46.7-69.7000116.3
55N46.4Very low43.3Very low150 Ų150144.4 Ų144.480%0.80280%0.804SS**  trans-113.2107.5144.4-172.31000109.7
56N44.5Very low42.8Very low164 Ų164137.9 Ų137.988%0.87780%0.799SS**  trans-152.1108.5156.4-103-31.8000107.7
57G35.1Very low41.9Very low63 Ų63138 Ų13865%0.64980%0.799SS**  trans-71.6162.8169.500000111.5
58S43.5Very low41.6Very low114 Ų114137.3 Ų137.380%0.79780%0.796SS**  trans-59.9137.2173.4178.50000111.8
59L39.9Very low41.3Very low158 Ų158139.6 Ų139.683%0.82780%0.803SS**  -179.1136.2123.7-96.4162.1000113.4
60R37.4Very low40.9Very low234 Ų234139.3 Ų139.388%0.88380%0.798SS**  trans64.9114.2152.9-173179.8-73.6-104.63.6119.5
61A40.2Very low40.3Very low87 Ų87140.4 Ų140.472%0.71981%0.806SS**  trans-86.2168.1158.100000111.1
62P43.8Very low40.4Very low127 Ų127140.4 Ų140.483%0.82581%0.805SS**  -145.7-17574.741.3-22.9000116.1
63A38.5Very low39.9Very low108 Ų108144.3 Ų144.389%0.89381%0.81SS**  trans-29.8143.7179.700000120.2
64G34.1Very low39.5Very low75 Ų75141.8 Ų141.877%0.77380%0.804SS**  trans167.1135.3164.100000111.9
65D41Very low39.4Very low177 Ų177141 Ų14195%0.94780%0.795SS**  trans-73.6142.4179.4-58.4-79.6000112.8
66G32.8Very low39.6Very low60 Ų60140.7 Ų140.762%0.61979%0.788SS**  trans154.9109.8161.800000118.5
67W32.2Very low39Very low236 Ų236139.6 Ų139.689%0.89478%0.783SS**  trans74.4125.7139.7-60.9100.3000122.5
68Q34.7Very low39.3Very low165 Ų165141.5 Ų141.577%0.77179%0.786SS**  trans72.490.6146-63.3178.141.800119.3
69Q35.6Very low39.4Very low177 Ų177142.6 Ų142.683%0.82779%0.788SS**  trans-68.3129.4144.7-74-74.8-67.200109.9S71Q69-S71 PolarHBondContact O-N 2.81Å
70P42.7Very low39.2Very low113 Ų113142.2 Ų142.273%0.73479%0.787SS**  trans-82.2105.9168.331.2-30.8000110.4L72P70-L72 PolarHBondContact O-N 3.1Å
71S37.3Very low39.4Very low116 Ų116136.1 Ų136.181%0.81178%0.78SS**  trans-59.3121.1179.6-54.70000112.2Q69Q69-S71 PolarHBondContact O-N 2.81Å
72L47.4Very low39.4Very low159 Ų159135.2 Ų135.283%0.83278%0.778SS**  trans-72.2130.9175.7-69.8174.4000111.1P70 L74P70-L72 PolarHBondContact O-N 3.1Å; L72-L74 PolarHBondContact O-N 2.64Å
73L40.3Very low39.2Very low148 Ų148135.6 Ų135.678%0.77578%0.778SS**  trans-74.583177.3-86.5158.8000111.6R75L73-R75 HydrophobicContact CD2-CG 4.33Å; L73-R75 PolarHBondContact O-N 2.95Å
74L41.7Very low39.2Very low135 Ų135135.5 Ų135.571%0.70778%0.777SS**  trans-7986.9157.8-97.865.6000109.1L72L72-L74 PolarHBondContact O-N 2.64Å
75R39.3Very low39.9Very low194 Ų194141.3 Ų141.373%0.73278%0.782SS**  trans-88.2100.1160.6-73.5-169.7-179.7-85.2-2108.7L73L73-R75 HydrophobicContact CD2-CG 4.33Å; L73-R75 PolarHBondContact O-N 2.95Å
76H49Very low39.5Very low144 Ų144136.7 Ų136.767%0.66778%0.775SS**  trans-88.5101162.1-73-97000108S78H76-S78 PolarHBondContact O-N 3.37Å
77D32.8Very low39.7Very low142 Ų142137.7 Ų137.776%0.75979%0.786SS**  trans-79.469.9169.5-68.4-33.6000109.4V79D77-V79 PolarHBondContact O-N 2.88Å
78S41.7Very low40Very low102 Ų102135.5 Ų135.571%0.71379%0.785SS**  trans-81.9100.9170.2-67.10000109.5H76 D80H76-S78 PolarHBondContact O-N 3.37Å; S78-D80 VanDerWaalsContact C-N 3.35Å; S78-D80 PolarHBondContact O-N 2.96Å; S78-D80 VanDerWaalsContact O-N 3.07Å
79V44.9Very low39.8Very low137 Ų137131.5 Ų131.583%0.8379%0.788SS**  trans-80.278.3174.5-73.70000111.7D77D77-V79 PolarHBondContact O-N 2.88Å
80D35.5Very low39.7Very low151 Ų151126.6 Ų126.681%0.80779%0.786SS**  trans-88119.1162.7-169.9-4.8000109.3S78 G82S78-D80 VanDerWaalsContact C-N 3.35Å; S78-D80 PolarHBondContact O-N 2.96Å; S78-D80 VanDerWaalsContact O-N 3.07Å; D80-G82 PolarHBondContact OD1-N 2.96Å
81S41.6Very low39.5Very low106 Ų106129.9 Ų129.974%0.74180%0.796SS**  trans-120.548.5-174.7-68.10000112V83S81-V83 PolarHBondContact O-N 3.07Å; S81-V83 VanDerWaalsContact O-N 3.1Å
82G40.8Very low39.3Very low67 Ų67129 Ų12969%0.69180%0.795SS**  trans-59.5106.1169.700000112.8D80 A84D80-G82 PolarHBondContact OD1-N 2.96Å; G82-A84 PolarHBondContact O-N 3.11Å
83V40Very low38.4Very low135 Ų135125 Ų12582%0.81879%0.793SS**  trans-76.8101.1-179.551.80000112.2S81 K85S81-V83 PolarHBondContact O-N 3.07Å; S81-V83 VanDerWaalsContact O-N 3.1Å; V83-K85 PolarHBondContact O-N 2.95Å
84A37.1Very low38Very low106 Ų106121.5 Ų121.588%0.87679%0.792SS**  trans-75103.4172.200000111.5G82G82-A84 PolarHBondContact O-N 3.11Å
85K49.7Very low37.7Very low198 Ų198120 Ų12086%0.86179%0.794SS**  trans-109.4117.3169-165.3174.1-177.8-179.50109.1V83V83-K85 PolarHBondContact O-N 2.95Å
86G33.6Very low37.4Very low79 Ų79115.4 Ų115.481%0.81479%0.79SS**  trans-72.8143.3-160.200000116.2
87G35.5Very low36.6Very low82 Ų82119.1 Ų119.185%0.84580%0.798SS**  trans-103144.9160.600000110.7
88H38.1Very low36.8Very low189 Ų189121 Ų12188%0.87580%0.8SS**  trans-107.1129.8179.145.5-90.3000110
89G32.3Very low36.3Very low81 Ų81123.3 Ų123.384%0.83580%0.799SS**  trans156.5108.7-179.300000109.6
90G33.4Very low36Very low75 Ų75121.2 Ų121.277%0.77380%0.796SS**  trans-102.5156.1171.300000110.4
91L37.2Very low36.6Very low181 Ų181120 Ų12095%0.94880%0.796SS**  trans-165.1162.8138.1-103.9169.5000110.7
92A32.6Very low36.1Very low97 Ų97120.8 Ų120.880%0.80279%0.792SS**  trans-42.4154.1-171.400000119.4
93G29.7Very low35.7Very low76 Ų76127.7 Ų127.778%0.78480%0.798SS**  138.897.3114.600000119.5
94G31.3Very low35.7Very low74 Ų74129.2 Ų129.276%0.76380%0.796SS**  trans67.9166.1150.700000119.7
95S35.5Very low35.3Very low105 Ų105128.1 Ų128.173%0.73480%0.795SS**  cis177.1135.9-29.641.90000110.2
96C33.4Very low34.5Very low96 Ų96123.3 Ų123.365%0.64979%0.792SS**  trans63.7160.1161.7-61.30000117
97W31.4Very low35.3Very low223 Ų223124.5 Ų124.585%0.84579%0.785SS**  cis-120.3-176.4-10.4-57.984.9000107.5
98K36.9Very low35.3Very low181 Ų181132.1 Ų132.179%0.78779%0.789SS**  cis-162.2167.719.6-155.4172.1-175.8-56.30109.9
99E32.5Very low34.9Very low150 Ų150127.1 Ų127.170%0.70179%0.788SS**  trans-89.3153.1-165-49.691.714800117
100A36.9Very low34.7Very low94 Ų94127 Ų12778%0.77779%0.786SS**  trans-143.1153.2151.900000109.3
101P49.5Very low34.6Very low124 Ų124128 Ų12881%0.80579%0.787SS**  trans-100.8140.4-145.435.8-35.7000117.7
102N30.1Very low34.6Very low123 Ų123128 Ų12866%0.65878%0.783SS**  26.3129.1129.4-16035.9000119.8
103W32.3Very low34.8Very low212 Ų212131.3 Ų131.380%0.80379%0.787SS**  -168.3152116.8-94.5110.4000111.9
104H39.5Very low34.9Very low168 Ų168130.5 Ų130.578%0.77878%0.778SS**  trans69.694.8166.9-49.9-54.3000120.3
105G30.4Very low35.3Very low83 Ų83135.4 Ų135.486%0.85678%0.781SS**  103.493.7117.400000119.5
106A32Very low35.4Very low96 Ų96138.6 Ų138.679%0.79378%0.784SS**  trans-109.3177.8150.300000108.5
107P49.8Very low35.7Very low105 Ų105142.9 Ų142.968%0.68279%0.794SS**  cis-137.4-162.42.337.2-15.2000114.4
108R35.6Very low36Very low242 Ų242140.7 Ų140.791%0.91379%0.793SS**  trans81.6141.2171.7-46.9168.3-169.8-96.11.2115.3
109G29.2Very low35.8Very low83 Ų83135.1 Ų135.186%0.85679%0.787SS**  cis140.9122.2-1900000116
110G29.5Very low36Very low78 Ų78139.8 Ų139.880%0.80480%0.799SS**  trans102.7156160.600000117.4
111A31.7Very low36.2Very low97 Ų97143.4 Ų143.480%0.80280%0.799SS**  trans60117.6176.700000116.2
112Q36.1Very low36.3Very low182 Ų182143.2 Ų143.285%0.8580%0.798SS**  64.4111.169.3-70-172.7-2.900114.1
113D36.3Very low37Very low165 Ų165146.1 Ų146.188%0.88281%0.805SS**  -164.3161.3118.9-102.1-27.3000110.1
114G32.7Very low37.3Very low59 Ų59147.7 Ų147.761%0.60881%0.81SS**  trans-171.1153.5177.600000114
115H39.2Very low36.8Very low178 Ų178143.7 Ų143.782%0.82482%0.815SS**  trans-138.3137.9176.4-73.2-55.1000112.3
116H38.8Very low36.9Very low171 Ų171143.9 Ų143.979%0.79282%0.816SS**  trans-97.3145.5171.3-73.236.5000110.2
117H38.8Very low36.9Very low187 Ų187143 Ų14387%0.86682%0.817SS**  trans-136.1137154.6-77.5-67.8000112.9
118Q38Very low36.3Very low176 Ų176145.5 Ų145.582%0.82282%0.824SS**  trans-80.6167.2172-54.3-89.3-2000108.9
119G33.5Very low36.5Very low64 Ų64144.5 Ų144.566%0.6682%0.821SS**  cis143.2169-0.300000112.2
120R36.4Very low36.9Very low249 Ų249147.7 Ų147.794%0.9482%0.818SS**  trans81.6155.1169.8-57.4-173.9174-83.8-3.9120
121H41.1Very low37.4Very low169 Ų169155.3 Ų155.378%0.78282%0.822SS**  trans-146.9132.7-173.8168.6-6.1000108.4
122P51.1Low37.7Very low120 Ų120160.2 Ų160.278%0.77983%0.829SS**  trans-103.5162.4172.937.3-31.6000112.8
123K45.9Very low37.7Very low185 Ų185154.7 Ų154.780%0.80482%0.821SS**  trans-136.9127.9-154.3-162.1176.5-171.8175.90115.4
124R37.8Very low38.2Very low245 Ų245151.3 Ų151.393%0.92582%0.824SS**  trans73143.5156.4-96.5-178.5170.3-105.6-0.6121.7
125G29.9Very low38.9Very low84 Ų84155.2 Ų155.287%0.86683%0.827SS**  trans109.7126.7162.300000114
126G32Very low39Very low86 Ų86158.6 Ų158.689%0.88783%0.832SS**  cis165.4129.7-1100000111.5
127G31.5Very low39.1Very low78 Ų78157 Ų15780%0.80483%0.825SS**  trans170.9145.4177.900000114.5
128D37.4Very low38.9Very low158 Ų158158.7 Ų158.785%0.84582%0.824SS**  trans-63.9135-172.4-70.4-97.1000116.6
129R40.2Very low38.8Very low221 Ų221157 Ų15783%0.83482%0.82SS**  -174.2145.197.5-97.5171.7-168.1157.56113.6
130D38.2Very low38.9Very low150 Ų150157 Ų15780%0.80282%0.82SS**  trans52.9116.9155.5-53.7-45.4000121
131R40Very low39.1Very low237 Ų237152 Ų15289%0.89481%0.812SS**  trans-87.6167.9159.6-80.7177.7167.2169.1-5.7110.4
132Q36.8Very low38.9Very low201 Ų201152.9 Ų152.994%0.93981%0.814SS**  trans73.8151-179.8-47.5173.972.600112.3
133G36.7Very low38.4Very low66 Ų66154.7 Ų154.768%0.6881%0.812SS**  cis175.5139.8-2.400000108.1H135G133-H135 PolarHBondContact O-N 2.93Å
134G46.2Very low38.6Very low93 Ų93151.9 Ų151.996%0.95981%0.812SS**  trans-72.190.5-16900000113.9
135H46.5Very low38.6Very low142 Ų142151.9 Ų151.966%0.65781%0.812SS**  trans-141.8101.8173.7-161.650.1000114.4G133 Q137G133-H135 PolarHBondContact O-N 2.93Å; H135-Q137 PolarHBondContact NE2-NE2 2.92Å; H135-Q137 VanDerWaalsContact NE2-NE2 3.11Å
136R41.7Very low39.2Very low248 Ų248157.6 Ų157.694%0.93681%0.813SS**  trans-132.192.2155.9-68.1-174179-1670.1107.1
137Q41.7Very low39.3Very low138 Ų138157 Ų15765%0.64581%0.808SS**  59.297.679.2-70.4-73.82.500114.2H135H135-Q137 PolarHBondContact NE2-NE2 2.92Å; H135-Q137 VanDerWaalsContact NE2-NE2 3.11Å
138R34.8Very low39.3Very low223 Ų223159.8 Ų159.884%0.84281%0.809SS**  trans-155.3100.7138.2-150.4168.6-169.5-170.71.8114.4
139N34.7Very low39.3Very low140 Ų140157.8 Ų157.875%0.74981%0.807SS**  trans64.291.5143.7-56.721.5000119.6
140G36.4Very low38.9Very low64 Ų64157.7 Ų157.766%0.6681%0.809SS**  trans-103124.3149.800000110.7F142G140-F142 PolarHBondContact O-N 2.81Å
141N39.7Very low38.6Very low143 Ų143158 Ų15877%0.76581%0.805SS**  trans-86.494.2-176.3-178.593.5000111.8
142F38.6Very low38.4Very low188 Ų188152.5 Ų152.583%0.82579%0.793SS**  trans-80.9149.8174.9-82.1-91.7000113.2G140G140-F142 PolarHBondContact O-N 2.81Å
143H40.2Very low38.4Very low158 Ų158152.3 Ų152.373%0.73179%0.79SS**  trans-126.2111.7161.3-75.9-5.3000108.5
144P49.5Very low38.5Very low126 Ų126158.3 Ų158.382%0.81880%0.797SS**  trans-77.5131.1174.831-32.3000110.2
145R37.8Very low38.4Very low245 Ų245159.9 Ų159.993%0.92579%0.791SS**  trans-116.8135.7154.7-67.5-166.2-167.2-125.23108.4
146K42.5Very low37.8Very low204 Ų204159.7 Ų159.789%0.88780%0.795SS**  trans-64.5137.6-173.4-64171176.4178.40110.4
147G33.3Very low37.6Very low74 Ų74154.7 Ų154.776%0.76378%0.782SS**  trans-74.2159.4157.200000110.7
148T33.3Very low37.8Very low137 Ų137156.8 Ų156.884%0.8479%0.791SS**  trans-132116.8172.648.10000108.7
149S36.8Very low38Very low115 Ų115155.6 Ų155.680%0.80479%0.787SS**  trans-77.9140.117544.30000111.2
150Y31.2Very low38.1Very low220 Ų220157.7 Ų157.786%0.86379%0.789SS**  trans-147161.6157.3-119.5-83.2000111.6
151Q33.1Very low38.4Very low157 Ų157162.3 Ų162.373%0.73480%0.799SS**  trans-69.6139.7-155-63.1-178-82.300116.8
152D34.4Very low38.3Very low120 Ų120158.8 Ų158.864%0.64280%0.797SS**  13.9114.6114.2169.937000117.1
153K37.7Very low38.3Very low197 Ų197157.7 Ų157.786%0.85779%0.792SS**  trans-150.6124.7137.9-68.1-160.2178.1-172.20110.6
154F38.1Very low38.9Very low192 Ų192156.6 Ų156.684%0.84279%0.791SS**  trans-79.7161.9150.7-72.7-86.8000110
155P45.3Very low38.5Very low126 Ų126157.9 Ų157.982%0.81879%0.791SS**  -134.7151.2103.637.8-29.5000114.8
156N32.1Very low38.9Very low139 Ų139154.7 Ų154.774%0.74378%0.784SS**  trans-65.2133.3161.9164.215.7000110.8E158N156-E158 PolarHBondContact OD1-N 3.15Å; N156-E158 VanDerWaalsContact OD1-N 3.13Å
157E39.3Very low39.2Very low143 Ų143152.3 Ų152.367%0.66878%0.78SS**  trans-146.5100.4142.3-145.3-178.7177.400112.8R159E157-R159 HydrophobicContact CG-CG 4.39Å; E157-R159 PolarHBondContact O-N 3.08Å; E157-R159 WeakPolarHBondContact OE1-CD 3.43Å; E157-R159 IonicContact OE1-CZ 2.7Å; E157-R159 IonicContact OE1-NE 3.59Å; E157-R159 IonicContact OE1-NH1 3.69Å; E157-R159 PolarHBondContact OE1-NH1 2.65Å
158E44.3Very low39.8Very low181 Ų181156 Ų15685%0.84678%0.782SS**  trans-84.195.7168.8-178.1-177.1-151.500110.5N156N156-E158 PolarHBondContact OD1-N 3.15Å; N156-E158 VanDerWaalsContact OD1-N 3.13Å
159R39.1Very low40.3Very low198 Ų198158.6 Ų158.675%0.74778%0.783SS**  trans-144.9106.5173.8-75.5-167.6170.3137.7-3.6115.3E157E157-R159 HydrophobicContact CG-CG 4.39Å; E157-R159 PolarHBondContact O-N 3.08Å; E157-R159 WeakPolarHBondContact OE1-CD 3.43Å; E157-R159 IonicContact OE1-CZ 2.7Å; E157-R159 IonicContact OE1-NE 3.59Å; E157-R159 IonicContact OE1-NH1 3.69Å; E157-R159 PolarHBondContact OE1-NH1 2.65Å
160K37.2Very low40.7Very low184 Ų184158.3 Ų158.380%0.878%0.775SS**  trans58.9117.9144.2-62.6-156.7169.5-154.30121
161D43.7Very low41.7Very low161 Ų161157.2 Ų157.286%0.86178%0.778SS**  38.485.2123.9-48.6-52.9000117
162G36.2Very low42.5Very low70 Ų70157.8 Ų157.872%0.72278%0.781SS**  trans-146.246.8-168.200000116.8
163K39.6Very low43.6Very low165 Ų165158.4 Ų158.472%0.71778%0.784SS**  trans61.4113.3151.8-164.3179.7-176.9-179.50119.5D165K163-D165 PolarHBondContact O-N 2.83Å
164D52.7Low44.5Very low135 Ų135158.2 Ų158.272%0.72278%0.784SS**  trans19.448147.633.3-75.7000122K166D164-K166 PolarHBondContact O-N 2.82Å
165D41.4Very low45.3Very low153 Ų153154.5 Ų154.582%0.81878%0.779SS**  trans-69.777165.1-93.6-26000111.9K163 L167K163-D165 PolarHBondContact O-N 2.83Å; D165-L167 PolarHBondContact O-N 3.22Å; D165-L167 VanDerWaalsContact O-N 3.16Å
166K45.6Very low45.4Very low178 Ų178153.9 Ų153.977%0.77478%0.777SS**  trans-61.6112.7160.7-74.3-172.7175.7-173.90108.4D164 N168D164-K166 PolarHBondContact O-N 2.82Å; K166-N168 PolarHBondContact O-N 3.42Å; K166-N168 PolarHBondContact O-ND2 2.87Å; K166-N168 VanDerWaalsContact O-ND2 3.11Å
167L49.4Very low46.3Very low153 Ų153155.6 Ų155.680%0.80179%0.786SS**  trans-62.1103.1171.5-69.5177.1000109.6D165 F169D165-L167 PolarHBondContact O-N 3.22Å; D165-L167 VanDerWaalsContact O-N 3.16Å; L167-F169 VanDerWaalsContact C-N 3.27Å; L167-F169 PolarHBondContact O-N 3.36Å
168N44.9Very low46.4Very low151 Ų151155.8 Ų155.881%0.80779%0.791SS**  trans-69.883.3176.3-65.8-80.9000109.6K166 V170K166-N168 PolarHBondContact O-N 3.42Å; K166-N168 PolarHBondContact O-ND2 2.87Å; K166-N168 VanDerWaalsContact O-ND2 3.11Å; N168-V170 PolarHBondContact O-N 2.8Å
169F43.7Very low47.1Very low193 Ų193152 Ų15285%0.84678%0.783SS**  trans-64.3130.9154-95.3-86.1000108.2L167 E171L167-F169 VanDerWaalsContact C-N 3.27Å; L167-F169 PolarHBondContact O-N 3.36Å; F169-E171 PolarHBondContact O-N 3.24Å
170V44.8Very low47.2Very low108 Ų108150.7 Ų150.766%0.65579%0.785SS**  trans-71.197.6-177.4171.60000108.6N168 E172N168-V170 PolarHBondContact O-N 2.8Å; V170-E172 HydrophobicContact CG1-CB 3.42Å; V170-E172 VanDerWaalsContact CG1-CB 3.42Å; V170-E172 PolarHBondContact O-N 3.34Å; V170-E172 VanDerWaalsContact O-N 3.08Å
171E52.6Low47.8Very low198 Ų198147.6 Ų147.693%0.92578%0.781SS**  trans-81.767.6167.6-168.3166.2-146.800109.2F169F169-E171 PolarHBondContact O-N 3.24Å
172E51.3Low47.5Very low169 Ų169147.2 Ų147.279%0.7979%0.785SS**  trans-142.9115.4179.9-159.3175.3-142.100104.4V170V170-E172 HydrophobicContact CG1-CB 3.42Å; V170-E172 VanDerWaalsContact CG1-CB 3.42Å; V170-E172 PolarHBondContact O-N 3.34Å; V170-E172 VanDerWaalsContact O-N 3.08Å
173D57.3Low47.5Very low133 Ų133146.6 Ų146.671%0.71178%0.779SS**SBendcis-135.7112.118.4167.827.3000110.9
174F55.5Low47.4Very low193 Ų193149 Ų14985%0.84679%0.789SS**  trans-138.6118.8159.4-78.5-74000108.8S176F174-S176 PolarHBondContact O-N 3.41Å
175P54.9Low46.9Very low114 Ų114148.6 Ų148.674%0.7480%0.797SS**  trans-7295.3177.227.8-33.5000110.2L177P175-L177 PolarHBondContact O-N 3.02Å
176S48.4Very low46.5Very low112 Ų112144.9 Ų144.978%0.78380%0.795SS**  trans-67.797.1179.843.50000111.4F174 N178F174-S176 PolarHBondContact O-N 3.41Å; S176-N178 PolarHBondContact O-N 3.43Å
177L49.6Very low46.3Very low175 Ų175143 Ų14392%0.91680%0.798SS**  trans-70.580.2170.2-82.6168.5000110.6P175P175-L177 PolarHBondContact O-N 3.02Å
178N42Very low45.6Very low148 Ų148144 Ų14479%0.79180%0.799SS**  trans-127.7113.7162.2-124.98000108.9S176S176-N178 PolarHBondContact O-N 3.43Å
179P59.1Low45.5Very low102 Ų102145.4 Ų145.466%0.66280%0.803SS**  trans-74.9164.6166.535.7-34.7000109.8
180E42.1Very low45.2Very low169 Ų169146.7 Ų146.779%0.7980%0.802SS**  trans68.3148.6170.1-49.2-163.6117.400116.7
181T49.4Very low44.9Very low119 Ų119147.9 Ų147.973%0.7381%0.81SS**  cis-153.1127.4-35.7280000107.7
182T37.6Very low44Very low153 Ų153145.2 Ų145.294%0.93981%0.807SS**  trans-164.6130153.9-83.40000110.6
183G35.7Very low43.4Very low57 Ų57140.8 Ų140.859%0.58880%0.799SS**SBendtrans97.349.6148.100000119.9
184K38.1Very low42.9Very low216 Ų216139.9 Ų139.994%0.93980%0.801SS**  -179.3155.4122.2-91.5142.2-155.91650112.9
185S41.5Very low42.9Very low127 Ų127139.4 Ų139.489%0.88880%0.801SS**  trans-82.4136.1-170.644.60000113.9
186G33.8Very low42.2Very low74 Ų74136.7 Ų136.776%0.76379%0.787SS**  trans-160.1104.1171.700000111.2Q188G186-Q188 PolarHBondContact O-N 2.87Å
187T40.7Very low42Very low139 Ų139133.4 Ų133.485%0.85377%0.772SS**  trans-70.4118.8-172.4-51.40000113.1
188Q35.4Very low42.2Very low173 Ų173132 Ų13281%0.80877%0.77SS**  trans-152.3146.3135-78.1-144.6-400110.4G186G186-Q188 PolarHBondContact O-N 2.87Å
189M42.7Very low42.6Very low181 Ų181136.7 Ų136.789%0.89278%0.777SS**  trans-92.6137.5178.9-56.1-17282.300111.3
190R37.4Very low42.7Very low220 Ų220137.8 Ų137.883%0.8377%0.773SS**  trans-151.9145.4155.3-151.1163-63.2-146.72.5109.6V192R190-V192 PolarHBondContact O-N 2.98Å
191T37.6Very low43Very low134 Ų134135.1 Ų135.182%0.82276%0.764SS**PPolyproline II helixtrans-65129.1179.745.10000111.1
192V34.8Very low43.6Very low141 Ų141134.2 Ų134.286%0.85576%0.76SS**PPolyproline II helixtrans-65.9130.5167.3175.40000108.7R190R190-V192 PolarHBondContact O-N 2.98Å
193A38.1Very low44.4Very low77 Ų77133 Ų13364%0.63676%0.755SS**PPolyproline II helixtrans-102.2153.4163.100000108.5
194P47.5Very low45Very low114 Ų114134.9 Ų134.974%0.7476%0.755SS**PPolyproline II helixtrans-59.4165.2177.5-2334.6000113.2A196P194-A196 VanDerWaalsContact C-N 3.29Å; P194-A196 PolarHBondContact O-N 2.95Å
195H54.4Low45.5Very low183 Ų183130.2 Ų130.285%0.84775%0.75SS**  trans-71.877.3-175.2-56.8-86.8000112.3G197H195-G197 PolarHBondContact O-N 2.78Å; H195-G197 VanDerWaalsContact O-N 3.08Å
196A39.9Very low46.1Very low56 Ų56132.9 Ų132.946%0.46375%0.745SS.*  trans-60.9110.8-179.700000111.6P194 E200P194-A196 VanDerWaalsContact C-N 3.29Å; P194-A196 PolarHBondContact O-N 2.95Å; A196-E200 VanDerWaalsContact CA-OE2 3.31Å; A196-E200 WeakPolarHBondContact CA-OE2 3.19Å; A196-E200 HydrophobicContact CB-CB 4.24Å
197G45.6Very low47.1Very low44 Ų44137.5 Ų137.545%0.45475%0.747SS.*  trans-67.6163.6177.200000112.2H195 W199 E200H195-G197 PolarHBondContact O-N 2.78Å; H195-G197 VanDerWaalsContact O-N 3.08Å; G197-W199 PolarHBondContact O-N 2.91Å; G197-E200 WeakPolarHBondContact O-CB 3.35Å; G197-E200 PolarHBondContact O-N 2.84Å
198V52.8Low47.4Very low146 Ų146139.7 Ų139.789%0.88575%0.75SS**THydrogen-bonded Turntrans-56-19.5179.6176.70000113.1
199W51.1Low48.2Very low245 Ų245137.5 Ų137.593%0.92875%0.748SS**THydrogen-bonded Turntrans-89.1-12.3178.2-63.398.8000115.1G197 N201G197-W199 PolarHBondContact O-N 2.91Å; W199-N201 VanDerWaalsContact C-N 3.25Å; W199-N201 PolarHBondContact O-N 3.33Å
200E59.6Low48.5Very low126 Ų126133.9 Ų133.959%0.58974%0.74SS**SBendtrans-77.1-8.3-173.3-155.6-178.4112.100113.7A196 G197 P202A196-E200 VanDerWaalsContact CA-OE2 3.31Å; A196-E200 WeakPolarHBondContact CA-OE2 3.19Å; A196-E200 HydrophobicContact CB-CB 4.24Å; G197-E200 WeakPolarHBondContact O-CB 3.35Å; G197-E200 PolarHBondContact O-N 2.84Å; E200-P202 WeakPolarHBondContact O-CD 3.38Å
201N48.8Very low49.3Very low113 Ų113132.4 Ų132.460%0.60474%0.74SS**  trans-118.286.5172-91.7-97.1000111.3W199W199-N201 VanDerWaalsContact C-N 3.25Å; W199-N201 PolarHBondContact O-N 3.33Å
202P62.1Low49.9Very low99 Ų99133.2 Ų133.264%0.64374%0.736SS**  trans-54.5140.7155.726.2-34.3000108.8E200 V204E200-P202 WeakPolarHBondContact O-CD 3.38Å; P202-V204 PolarHBondContact O-N 3.48Å
203P55.3Low51.3Low129 Ų129133.9 Ų133.984%0.83873%0.734SS**  trans-58.1112.1-165.320.1-32.7000112.2S205P203-S205 PolarHBondContact O-N 3.27Å
204V46.8Very low52.4Low96 Ų96135.9 Ų135.958%0.58274%0.738SS**  trans-51.4125.3-175.2176.70000110.3P202 K206P202-V204 PolarHBondContact O-N 3.48Å; V204-K206 HydrophobicContact CG1-CB 4.32Å; V204-K206 HydrophobicContact CG1-CD 4.27Å; V204-K206 HydrophobicContact CG1-CG 4.15Å; V204-K206 PolarHBondContact O-N 3.43Å
205S50Low53.1Low118 Ų118138 Ų13883%0.82574%0.742SS**  trans-68.718.6-167.554.80000116.3P203 Q207P203-S205 PolarHBondContact O-N 3.27Å; S205-Q207 PolarHBondContact O-N 3.22Å
206K53.6Low53.1Low183 Ų183137.6 Ų137.680%0.79674%0.737SS**  trans-9669.5-174-68.3-178.9-179.9173.90112.6V204V204-K206 HydrophobicContact CG1-CB 4.32Å; V204-K206 HydrophobicContact CG1-CD 4.27Å; V204-K206 HydrophobicContact CG1-CG 4.15Å; V204-K206 PolarHBondContact O-N 3.43Å
207Q54.5Low54Low170 Ų170143.1 Ų143.179%0.79475%0.751SS**  trans49.4105.1155.6-60.5-167.8-6.700119.2S205S205-Q207 PolarHBondContact O-N 3.22Å
208M46.4Very low54.2Low186 Ų186146.4 Ų146.492%0.91676%0.762SS**  -126121.1117.6-70.6-166.379.700109.1S210M208-S210 PolarHBondContact O-N 3.45Å
209V52.6Low53.8Low126 Ų126142.9 Ų142.976%0.76474%0.744SS**  trans-74.974.5171.9-76.50000109.9K211V209-K211 PolarHBondContact O-N 2.94Å
210S49.3Very low53.7Low105 Ų105141.4 Ų141.473%0.73474%0.744SS**  trans-56.1114.4169-174.90000108.4M208 M212M208-S210 PolarHBondContact O-N 3.45Å; S210-M212 PolarHBondContact O-N 3.39Å
211K54.1Low53.3Low189 Ų189143.1 Ų143.182%0.82275%0.752SS**  trans-75.867.9179.5-69.2-179.7175.3174.50109.4V209 L213V209-K211 PolarHBondContact O-N 2.94Å; K211-L213 WeakPolarHBondContact O-CD1 3.48Å; K211-L213 PolarHBondContact O-N 3.39Å; K211-L213 VanDerWaalsContact O-N 3.13Å
212M51.1Low53.2Low152 Ų152144.9 Ų144.975%0.74976%0.761SS**  trans-58115.2168.3-166.8-174.2-5900107.4S210 V214S210-M212 PolarHBondContact O-N 3.39Å; M212-V214 PolarHBondContact O-N 2.79Å
213L63.8Low52.3Low155 Ų155145.3 Ų145.381%0.81277%0.774SS**  trans-69.589.1172.2-86.775.2000107.4K211 I215K211-L213 WeakPolarHBondContact O-CD1 3.48Å; K211-L213 PolarHBondContact O-N 3.39Å; K211-L213 VanDerWaalsContact O-N 3.13Å; L213-I215 PolarHBondContact O-N 2.94Å
214V61.2Low51.4Low118 Ų118142.2 Ų142.272%0.71577%0.765SS**  trans-61.4105.1172.7-1750000106.9M212 K216M212-V214 PolarHBondContact O-N 2.79Å; V214-K216 PolarHBondContact O-N 3.48Å
215I61.1Low51Low159 Ų159144.2 Ų144.282%0.81578%0.777SS**  trans-69.383.3170.2-57.1178.6000106.2L213 K217L213-I215 PolarHBondContact O-N 2.94Å; I215-K217 VanDerWaalsContact C-N 3.28Å; I215-K217 PolarHBondContact O-N 3.32Å
216K55.2Low50.4Low174 Ų174142.9 Ų142.976%0.75777%0.774SS**  trans-62.496.4172.1-179.9172179.9173.60106.6V214 V218V214-K216 PolarHBondContact O-N 3.48Å; K216-V218 VanDerWaalsContact C-N 3.28Å; K216-V218 PolarHBondContact O-N 3.5Å
217K59.3Low49.5Very low173 Ų173144.5 Ų144.575%0.75278%0.781SS**  trans-60.696.6172-177.3-100.1179.7176.40107.2I215 S219I215-K217 VanDerWaalsContact C-N 3.28Å; I215-K217 PolarHBondContact O-N 3.32Å; K217-S219 PolarHBondContact O-N 2.97Å
218V50Low48.7Very low112 Ų112142 Ų14268%0.67978%0.783SS**  trans-59124.4163-70.50000106.7K216 K220K216-V218 VanDerWaalsContact C-N 3.28Å; K216-V218 PolarHBondContact O-N 3.5Å; V218-K220 PolarHBondContact O-N 3.37Å
219S43.1Very low48.2Very low73 Ų73137.7 Ų137.751%0.5178%0.777SS.*  trans-57.4119158.8210000106.2K217 E221K217-S219 PolarHBondContact O-N 2.97Å; S219-E221 PolarHBondContact O-N 3.14Å
220K49.3Very low47.7Very low214 Ų214135 Ų13593%0.9377%0.774SS**  trans-7679.4171.2-174.2176.4176.3177.60107.5V218V218-K220 PolarHBondContact O-N 3.37Å
221E52.5Low47.1Very low162 Ų162140 Ų14076%0.75778%0.783SS**  trans-128.6124.9178.7-169.9176.2151.800105.8S219S219-E221 PolarHBondContact O-N 3.14Å
222D45.8Very low46.3Very low149 Ų149135.5 Ų135.580%0.79778%0.781SS**SBendtrans29.793.9-170.9-134.3-15.6000120.2
223A44.3Very low45.4Very low109 Ų109135.1 Ų135.190%0.90179%0.787SS**  trans-148.654155.500000108.3
224G35.3Very low43.9Very low64 Ų64132.5 Ų132.566%0.6679%0.788SS**  trans-99.3-26-159.800000117.9
225T38.7Very low42.6Very low137 Ų137130.3 Ų130.384%0.8479%0.789SS**  trans-148.386.7-164.729.10000114
226A38Very low41.4Very low90 Ų90129.9 Ų129.974%0.74479%0.794SS**  trans-166.254.215500000114.1
227F34.1Very low40.6Very low217 Ų217128.7 Ų128.795%0.95280%0.795SS**  trans-113.190.3148.2-117.1-75.2000107.5A229F227-A229 PolarHBondContact O-N 3.29Å
228S37.3Very low39.8Very low119 Ų119126 Ų12683%0.83280%0.796SS**  trans-7791.2-177-62.50000111.2
229A36.8Very low39.2Very low95 Ų95126.4 Ų126.479%0.78580%0.798SS**  trans-76.9116.6152.700000107.9F227F227-A229 PolarHBondContact O-N 3.29Å
230G40.5Very low38.7Very low69 Ų69130.6 Ų130.671%0.71182%0.815SS**  trans-82.1124.9-172.500000113.3
231F37.3Very low37.9Very low211 Ų211123 Ų12393%0.92580%0.798SS**  trans-133136.1154.3-84.9-84.2000108.9
232A37.1Very low36.8Very low94 Ų94120.7 Ų120.778%0.77780%0.8SS**  trans-90.7150.2178.100000111.2
233T33Very low36.5Very low144 Ų144123.2 Ų123.288%0.88380%0.803SS**  trans-163.1155.8146.3-780000108.4
234A32.8Very low36.4Very low99 Ų99122.5 Ų122.582%0.81880%0.797SS**  trans-60151.3-173.100000114.4
235G33.3Very low36.9Very low72 Ų72124.9 Ų124.974%0.74280%0.801SS**  trans-107179.5170.400000113
236T35Very low36.8Very low150 Ų150126 Ų12692%0.9280%0.801SS**  trans-137.3167.1174.742.70000112.1
237L38.8Very low36.7Very low150 Ų150127.7 Ų127.779%0.78580%0.803SS**PPolyproline II helixtrans-85.7141.2-162.3-171.276.5000113.9
238P43.1Very low36.9Very low117 Ų117121 Ų12176%0.7679%0.794SS**PPolyproline II helixtrans-94.4139152.634.4-29.6000111.3
239T37.4Very low37Very low120 Ų120121 Ų12174%0.73679%0.794SS**PPolyproline II helixtrans-91.8139.1-168.451.10000115
240N32.6Very low37Very low160 Ų160121.9 Ų121.986%0.85680%0.795SS**  trans18.1125.4138.2-166.714.6000118.3
241G31.5Very low37.4Very low55 Ų55124.8 Ų124.857%0.56780%0.798SS**  cis159-149.41.200000113.6
242S30.1Very low37.4Very low114 Ų114124 Ų12480%0.79779%0.79SS**  trans65.3141.4-16183.30000113.1
243K38.7Very low38.5Very low202 Ų202128.6 Ų128.688%0.87879%0.793SS**  cis-130.2162.616.1-52171.1-169.7178.60109.8
244A42.7Very low38.9Very low94 Ų94128 Ų12878%0.77778%0.784SS**  trans-125.7-176.5-176.700000111.2
245P46.5Very low39.5Very low114 Ų114131 Ų13174%0.7479%0.786SS**  -128.6174.9-69.339.2-26.9000112.1
246L35.5Very low40.3Very low161 Ų161133.8 Ų133.884%0.84379%0.788SS**  trans-173.5143148-102.5152.9000111.7
247T37.5Very low40.5Very low125 Ų125132.4 Ų132.477%0.76778%0.782SS**  trans33.7116.6158-32.70000118.3
248G38Very low40.7Very low75 Ų75134.6 Ų134.677%0.77379%0.785SS**  cis93123.64600000109.7
249S38.9Very low40.6Very low120 Ų120135.1 Ų135.184%0.83979%0.788SS**  cis-143.9166.88.263.90000111.1
250S36.7Very low40.3Very low114 Ų114134.1 Ų134.180%0.79779%0.792SS**  trans-134.8135.5176-178.60000110.9
251V49.5Very low40.6Very low129 Ų129133.3 Ų133.378%0.78279%0.793SS**  trans-125.1118-178.6-179.30000109.8
252Y37.8Very low40.9Very low194 Ų194135.2 Ų135.276%0.76180%0.803SS**  trans-62.8139.1177.8-103.4-116.3000112.8
253K58.7Low41.4Very low192 Ų192134.9 Ų134.984%0.83580%0.798SS**  trans-162.8110.5139.349.4-163.6176.9-169.50111
254N41.6Very low41.1Very low130 Ų130132 Ų13270%0.69580%0.797SS**  trans-76.7133.9175.3-62-54.7000110
255L45.7Very low41.1Very low163 Ų163137.2 Ų137.285%0.85380%0.803SS**  trans-122.3114166-71.4178.2000109
256V49.6Very low40.5Very low131 Ų131137.7 Ų137.779%0.79481%0.809SS**PPolyproline II helixtrans-80.5124.4-179.3178.80000109.6K258V256-K258 PolarHBondContact O-N 2.75Å
257P39.3Very low40.4Very low120 Ų120136.4 Ų136.478%0.77981%0.808SS**PPolyproline II helixtrans-64.4124.7172.5-20.933.6000111
258K43.6Very low40Very low197 Ų197138 Ų13886%0.85781%0.807SS**PPolyproline II helixtrans-103.4121.9179.3-159.1174.8-171.8177.60109V256V256-K258 PolarHBondContact O-N 2.75Å
259P40.8Very low39.7Very low128 Ų128146.5 Ų146.583%0.83182%0.816SS**PPolyproline II helixtrans-73.6140.4179.929.9-34000110.9
260A32.2Very low39.8Very low99 Ų99149 Ų14982%0.81881%0.811SS**  trans-140.3148.617600000110.9
261V37.6Very low39.8Very low143 Ų143147.9 Ų147.987%0.86781%0.809SS**  trans-86.9142.2-171.7174.60000111.3
262A37.5Very low39Very low95 Ų95145.7 Ų145.779%0.78581%0.812SS**  trans-98.8137.9171.100000111.7
263P42.3Very low38.6Very low106 Ų106139.6 Ų139.669%0.68881%0.809SS**  trans-133.9154.5150.537.5-25.8000114.5
264T31.4Very low37.8Very low141 Ų141141.1 Ų141.187%0.86581%0.809SS**  trans68.1138.5155.944.60000120.7
265K42.1Very low37.7Very low204 Ų204141.7 Ų141.789%0.88781%0.808SS**  trans-87.5158.8-176.7-53.6162.7-179.5173.90111.1
266S34.8Very low37.6Very low124 Ų124141.2 Ų141.287%0.86780%0.804SS**  trans-140158.5146.764.80000110.4
267T33.2Very low37Very low135 Ų135140.5 Ų140.583%0.82880%0.801SS**  trans-125.6127.8-172.3-64.90000109.8
268Q29.5Very low37Very low159 Ų159143.8 Ų143.874%0.74380%0.803SS**  trans-160.2127.1147-155.4160-105.300112.9K270Q268-K270 HydrophobicContact CG-CG 4.43Å
269W30.9Very low36.6Very low253 Ų253140.1 Ų140.196%0.95880%0.802SS**  trans-129.8146.1154.5-84.284.2000108.4
270K41.8Very low36.1Very low172 Ų172137.2 Ų137.275%0.74880%0.795SS**  trans-142.7150.2-177.6-83.7-93.8-167.6172.20106.2Q268Q268-K270 HydrophobicContact CG-CG 4.43Å
271A37.1Very low36.5Very low91 Ų91141 Ų14175%0.75280%0.801SS**  cis-165.2168.6-9.400000110.5
272G31.3Very low36.4Very low82 Ų82142.6 Ų142.685%0.84580%0.798SS**  trans109.5126.9151.500000115.7
273G29.2Very low36.4Very low67 Ų67146.2 Ų146.269%0.69180%0.801SS**  cis164.4178.8-8.900000113
274R42.8Very low36.8Very low223 Ų223147.3 Ų147.384%0.84281%0.808SS**  trans68.6140.6160.695.5174.6-141.4-90.6-2.2116.5
275E38.8Very low36.7Very low143 Ų143143.5 Ų143.567%0.66880%0.797SS**  cis-146.9127.62.2-63.3171.1-126.500108.3
276I43.2Very low36.5Very low152 Ų152144.4 Ų144.478%0.77980%0.795SS**  64.8108.193.9-56.1162.4000117.2
277T36.8Very low36.3Very low116 Ų116144.7 Ų144.771%0.71279%0.786SS**  -167.3126.2127.524.80000113.4
278K41.2Very low36.7Very low189 Ų189143.2 Ų143.282%0.82278%0.782SS**  trans33.4142.9134.8-53166.7-172.5173.70120.1
279S33.7Very low36.9Very low121 Ų121141.6 Ų141.685%0.84678%0.783SS**  cis173158.9-10.946.20000107.9
280G31.8Very low37.2Very low67 Ų67138.8 Ų138.869%0.69178%0.777SS**  cis155.7134.6-4.900000112.4
281L39.7Very low36.9Very low179 Ų179137.6 Ų137.694%0.93779%0.785SS**  trans68.5125.3178.7-51.6176.1000116.3
282H35Very low36.5Very low175 Ų175138.5 Ų138.581%0.8179%0.786SS**  -158.9175.265.970.4-81.1000114.5
283M37.9Very low37.8Very low172 Ų172139.9 Ų139.985%0.84778%0.78SS**  trans-146.9158.7169.2-80-70.9174.900105.8
284P50.2Low37.9Very low128 Ų128142.6 Ų142.683%0.83178%0.782SS**  cis-135.8-171.140.836.6-14.8000113.6
285G30.4Very low37.6Very low61 Ų61137.1 Ų137.163%0.62978%0.778SS**  cis154.5-160.4-5.500000111.6
286R36.6Very low37.3Very low223 Ų223135.2 Ų135.284%0.84279%0.787SS**  trans81.4114.6-179.4-45.6-157.374.7155.17.6114.8
287D32.4Very low36.7Very low130 Ų130133 Ų13370%0.69579%0.791SS**  95.1135.176.5-65.2-16000110.1
288S39.7Very low36.5Very low105 Ų105137 Ų13773%0.73480%0.799SS**  cis-160.2147.3-6.2-172.90000113
289V34.6Very low36.8Very low125 Ų125133.7 Ų133.776%0.75880%0.797SS**  trans16.7128.7150.8-172.90000122.4
290F38Very low36.6Very low193 Ų193133.3 Ų133.385%0.84679%0.794SS**  trans6.5138.9142.3-98.2-109.1000120.8
291T34.1Very low36.8Very low148 Ų148136.6 Ų136.691%0.90880%0.801SS**  trans-168.1162.213122.80000112.8
292S29.3Very low37.2Very low109 Ų109133.5 Ų133.576%0.76279%0.792SS**  trans-163.9164.5173.3-172.60000106.5
293P59.1Low37Very low111 Ų111131.7 Ų131.772%0.72179%0.792SS**  cis-129.7-153.3-1.522.64.7000112.9
294V30.7Very low36.6Very low124 Ų124128.7 Ų128.775%0.75279%0.789SS**  trans117.3118.4142.9176.70000120.5
295S36.2Very low35.8Very low108 Ų108126.4 Ų126.476%0.75578%0.781SS**  trans42.8110145.3-57.80000126
296A32.3Very low36.4Very low104 Ų104129 Ų12986%0.8679%0.786SS**  50.5131.6109.600000124.1
297A30.1Very low36.2Very low104 Ų104127 Ų12786%0.8679%0.786SS**  trans-153.7152.4147.200000113.4
298K33.4Very low36.2Very low201 Ų201127.6 Ų127.687%0.87479%0.785SS**  trans-123.6-176164-95.8-175.4178.9179.30106.4
299P47.3Very low35.7Very low119 Ų119128.7 Ų128.777%0.77378%0.783SS**  cis-139.6-179.2844.1-27000116.3
300S30.4Very low35.6Very low114 Ų114127.9 Ų127.980%0.79778%0.778SS**  trans-170.9135.7134.658.50000112.6
301T34.4Very low35.3Very low135 Ų135127.2 Ų127.283%0.82878%0.777SS**  trans-134.6172.5162.561.80000107.9
302P48.8Very low35.2Very low114 Ų114129.5 Ų129.574%0.7478%0.775SS**  -153.7-161.887.738.3-16.3000114.6
303V30.6Very low35.6Very low137 Ų137132.4 Ų132.483%0.8378%0.776SS**  trans77119.4176.5-173.90000113.4
304S30.7Very low34.8Very low110 Ų110135.3 Ų135.377%0.76978%0.78SS**  cis-156.8-177.4-10.7-158.70000111.8
305A32.5Very low35.4Very low80 Ų80134.8 Ų134.866%0.66178%0.779SS**  trans-129.8-175.5162.500000108.7
306P43.1Very low35.4Very low115 Ų115135.8 Ų135.875%0.74779%0.786SS**  cis-114.4-172.1444.122.1000112.1
307Q32.7Very low35.6Very low180 Ų180136.4 Ų136.484%0.84178%0.784SS**  cis-174175.6-24.4-104.6177.2-1.100105.9
308H32.2Very low36.6Very low144 Ų144137.5 Ų137.567%0.66778%0.78SS**  cis-153.1139.91.6-172.3-147.2000108.6
309N28.8Very low37.3Very low128 Ų128133.9 Ų133.968%0.68478%0.775SS**  trans51.4144.7154.1-80.65000121.8
310T33.4Very low37.9Very low108 Ų108133.3 Ų133.366%0.66377%0.771SS**  cis-141.7140.88.9450000113.7
311Q30.3Very low38.8Very low178 Ų178134 Ų13483%0.83277%0.774SS**  trans60.3132.5141.2-62-176.321.300123.3
312K32.3Very low39.5Very low197 Ų197134.9 Ų134.986%0.85777%0.771SS**  trans75.180.4146.1-109.8175.2178.7177.80121
313E37.4Very low39.7Very low169 Ų169136.7 Ų136.779%0.7978%0.775SS**  trans16.4119.9130.3-175.2173.2-144.200120
314H42.8Very low40.9Very low172 Ų172137.6 Ų137.680%0.79677%0.773SS**  -165.9164.2123.7-100.8-51000110.1
315P44.6Very low41.8Very low113 Ų113136 Ų13673%0.73477%0.766SS**  trans-77.4153.9-161.530.1-36.8000115.1S317P315-S317 PolarHBondContact O-N 2.88Å
316S34.2Very low42.6Very low130 Ų130137.9 Ų137.991%0.90977%0.772SS**  trans-61.2126.4174.7-51.60000112.3
317S36.4Very low42.6Very low116 Ų116136.9 Ų136.981%0.81177%0.768SS**  trans-110.4148.9159.5-1710000109.5P315P315-S317 PolarHBondContact O-N 2.88Å
318T52.4Low43.8Very low128 Ų128140 Ų14079%0.78577%0.772SS**  trans-84.9118.3-174.8179.60000111.9
319T48Very low44.8Very low125 Ų125140.4 Ų140.477%0.76778%0.779SS**  trans178.5141.7146.916.30000109.9
320P60.5Low46.3Very low106 Ų106143.4 Ų143.469%0.68879%0.785SS**  trans-75.5144.2170.531.8-33.6000110.9I322P320-I322 PolarHBondContact O-N 3.18Å
321P48.5Very low47.3Very low130 Ų130146.1 Ų146.184%0.84480%0.795SS**  trans-68.8124.1172.828.7-33.1000110.2D323P321-D323 PolarHBondContact O-N 2.93Å
322I49.2Very low48.4Very low152 Ų152145.6 Ų145.678%0.77979%0.794SS**  trans-82.5110.7173.6-65.1176.6000108.6P320 I324P320-I322 PolarHBondContact O-N 3.18Å; I322-I324 PolarHBondContact O-N 3.46Å
323D54.1Low49.6Very low153 Ų153148 Ų14882%0.81880%0.798SS**  trans-75.2111.1178.6-149.5-7.3000110P321 A325P321-D323 PolarHBondContact O-N 2.93Å; D323-A325 PolarHBondContact O-N 2.9Å
324I54.1Low50.9Low155 Ų155151.6 Ų151.680%0.79580%0.804SS**  trans-83.763.2-173.5-47.3-177.8000110.4I322I322-I324 PolarHBondContact O-N 3.46Å
325A50.2Low52Low76 Ų76146.1 Ų146.163%0.62879%0.794SS**  trans-71.1127.2165.500000109.5D323 S327D323-A325 PolarHBondContact O-N 2.9Å; A325-S327 PolarHBondContact O-N 3.04Å
326P48.6Very low52.9Low121 Ų121146.9 Ų146.979%0.78680%0.8SS**  trans-71.691.7-179.428.2-34.3000110.9R328P326-R328 PolarHBondContact O-N 3.21Å; P326-R328 VanDerWaalsContact O-N 3.11Å
327S43.7Very low54.1Low94 Ų94145.2 Ų145.266%0.65778%0.781SS**  trans-55.3115.3177.6-177.10000110.8A325 L329A325-S327 PolarHBondContact O-N 3.04Å; S327-L329 PolarHBondContact O-N 3.39Å
328R58.6Low55.7Low245 Ų245149.4 Ų149.493%0.92578%0.778SS**  trans-75.370.1177.7-75.3-175.2165.1-162.4-3.3110.6P326 K330P326-R328 PolarHBondContact O-N 3.21Å; P326-R328 VanDerWaalsContact O-N 3.11Å; R328-K330 PolarHBondContact O-N 3.2Å
329L52.9Low56.6Low153 Ų153150.4 Ų150.480%0.80177%0.772SS**  trans-59.4107.9174-67.1-178.1000109.7S327 L331S327-L329 PolarHBondContact O-N 3.39Å; L329-L331 PolarHBondContact O-N 2.92Å
330K60.2Low57.7Low191 Ų191147.7 Ų147.783%0.8376%0.758SS**  trans-71.591.2-175.1-174.7-178.1-177-179.70109.1R328 M332R328-K330 PolarHBondContact O-N 3.2Å; K330-M332 PolarHBondContact O-N 3.07Å
331L53.5Low58.5Low165 Ų165148.5 Ų148.586%0.86475%0.753SS**  trans-52.9101.3-179.8-171.877.8000110.4L329 R333L329-L331 PolarHBondContact O-N 2.92Å; L331-R333 PolarHBondContact O-N 3.42Å
332M54.8Low60.1Low166 Ų166148.7 Ų148.782%0.81874%0.741SS**  trans-65.4123174.4-69.3179.267.100107.6K330 R334K330-M332 PolarHBondContact O-N 3.07Å; M332-R334 PolarHBondContact O-N 3.17Å
333R57.8Low61.7Low247 Ų247147 Ų14793%0.93273%0.732SS**  trans-57.4110.4172.3-79.5-173.2-84.6-166.3-5.3107.5L331L331-R333 PolarHBondContact O-N 3.42Å
334R64.1Low62.9Low245 Ų245149.1 Ų149.193%0.92573%0.729SS**PPolyproline II helixtrans-55.7143.2168.4-71.5-171.6174-166.7-2.1107.9M332M332-R334 PolarHBondContact O-N 3.17Å
335G66.1Low63.9Low57 Ų57145.6 Ų145.659%0.58872%0.715SS**PPolyproline II helixtrans-60.117117500000111.9D337G335-D337 PolarHBondContact O-N 3.38Å
336P62.7Low64.8Low130 Ų130147.1 Ų147.184%0.84471%0.712SS**SBendtrans-51.3132.4174.823.9-34000109.9R338P336-R338 PolarHBondContact O-N 3.06Å; P336-R338 VanDerWaalsContact O-N 3.13Å
337D60.3Low66.3Low95 Ų95149.2 Ų149.251%0.50871%0.708SS.*  trans-67.9113.9-172.8-172.4-2.2000110G335 K339 S340G335-D337 PolarHBondContact O-N 3.38Å; D337-K339 PolarHBondContact O-N 3.12Å; D337-K339 VanDerWaalsContact O-N 3.08Å; D337-K339 WeakPolarHBondContact OD1-CB 3.38Å; D337-K339 VanDerWaalsContact OD1-CG 3.28Å; D337-K339 WeakPolarHBondContact OD1-CG 3.07Å; D337-K339 PolarHBondContact OD1-N 3Å; D337-S340 VanDerWaalsContact O-CB 3.29Å; D337-S340 WeakPolarHBondContact O-CB 3.31Å; D337-S340 PolarHBondContact O-N 2.99Å; D337-S340 PolarHBondContact O-OG 3.47Å
338R69Low67.4Low203 Ų203151.2 Ų151.277%0.76671%0.712SS**THydrogen-bonded Turntrans-56.5-22175.9-80.8-179.2160.6177.7-7.1112.8P336 S340 E341 F342P336-R338 PolarHBondContact O-N 3.06Å; P336-R338 VanDerWaalsContact O-N 3.13Å; R338-S340 PolarHBondContact O-N 2.96Å; R338-E341 WeakPolarHBondContact O-CB 3.28Å; R338-E341 PolarHBondContact O-N 2.84Å; R338-E341 VanDerWaalsContact O-N 3.12Å; R338-F342 PolarHBondContact O-N 3.11Å
339K70.9Confident67.5Low149 Ų149147.4 Ų147.465%0.64870%0.704SS**Hα-helixtrans-62.1-28.2171.6-60.6178.5-178.8-163.80112.3D337 L343D337-K339 PolarHBondContact O-N 3.12Å; D337-K339 VanDerWaalsContact O-N 3.08Å; D337-K339 WeakPolarHBondContact OD1-CB 3.38Å; D337-K339 VanDerWaalsContact OD1-CG 3.28Å; D337-K339 WeakPolarHBondContact OD1-CG 3.07Å; D337-K339 PolarHBondContact OD1-N 3Å; K339-L343 WeakPolarHBondContact O-CB 3.45Å; K339-L343 VanDerWaalsContact O-CG 3.23Å; K339-L343 WeakPolarHBondContact O-CG 3.42Å; K339-L343 PolarHBondContact O-N 3.32Å
340S72.8Confident67.6Low68 Ų68143.2 Ų143.248%0.47670%0.698SS.*Hα-helixtrans-74.7-23.1175.7710000113.7D337 R338 R344D337-S340 VanDerWaalsContact O-CB 3.29Å; D337-S340 WeakPolarHBondContact O-CB 3.31Å; D337-S340 PolarHBondContact O-N 2.99Å; D337-S340 PolarHBondContact O-OG 3.47Å; R338-S340 PolarHBondContact O-N 2.96Å; S340-R344 WeakPolarHBondContact O-CG 3.22Å; S340-R344 PolarHBondContact O-N 3Å
341E77.3Confident67.4Low124 Ų124140.3 Ų140.358%0.57970%0.697SS**Hα-helixtrans-75.2-48.9172.7180175.5-150.500110.2R338 L343 R344 T345R338-E341 WeakPolarHBondContact O-CB 3.28Å; R338-E341 PolarHBondContact O-N 2.84Å; R338-E341 VanDerWaalsContact O-N 3.12Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 2.71Å; E341-R344 WeakPolarHBondContact O-CA 3.43Å; E341-R344 WeakPolarHBondContact O-CB 3.24Å; E341-R344 PolarHBondContact O-N 3.29Å; E341-T345 PolarHBondContact O-N 3.05Å
342F81.1Confident66.8Low134 Ų134136 Ų13659%0.58869%0.692SS**Hα-helixtrans-61-39.3175.1-169.9-97.4000112.8R338 R344 T345 L346R338-F342 PolarHBondContact O-N 3.11Å; F342-R344 PolarHBondContact O-N 3.28Å; F342-T345 PolarHBondContact O-N 2.79Å; F342-T345 PolarHBondContact O-OG1 3.27Å; F342-L346 WeakPolarHBondContact O-CB 3.46Å; F342-L346 PolarHBondContact O-N 3.02Å; F342-L346 VanDerWaalsContact O-N 3.09Å
343L82.6Confident66.2Low115 Ų115136.3 Ų136.360%0.60269%0.691SS**Hα-helixtrans-74.8-5.2173.4-68.6173.1000114.1K339 E341K339-L343 WeakPolarHBondContact O-CB 3.45Å; K339-L343 VanDerWaalsContact O-CG 3.23Å; K339-L343 WeakPolarHBondContact O-CG 3.42Å; K339-L343 PolarHBondContact O-N 3.32Å; E341-L343 VanDerWaalsContact C-N 3.34Å; E341-L343 PolarHBondContact O-N 2.71Å
344R79.1Confident65.6Low199 Ų199132.5 Ų132.575%0.75169%0.689SS**Hα-helixtrans-90-48.6167.8-76-79.4179.3113.51.7110.6S340 E341 F342 L346 K347 D348S340-R344 WeakPolarHBondContact O-CG 3.22Å; S340-R344 PolarHBondContact O-N 3Å; E341-R344 WeakPolarHBondContact O-CA 3.43Å; E341-R344 WeakPolarHBondContact O-CB 3.24Å; E341-R344 PolarHBondContact O-N 3.29Å; F342-R344 PolarHBondContact O-N 3.28Å; R344-L346 PolarHBondContact O-N 2.84Å; R344-K347 PolarHBondContact O-N 2.97Å; R344-D348 PolarHBondContact O-N 2.77Å
345T75Confident64.4Low81 Ų81127 Ų12750%0.49768%0.682SS.*Hα-helixtrans-58.8-48.3178.354.80000111.2E341 F342 K347 D348 E349E341-T345 PolarHBondContact O-N 3.05Å; F342-T345 PolarHBondContact O-N 2.79Å; F342-T345 PolarHBondContact O-OG1 3.27Å; T345-K347 PolarHBondContact O-N 3.34Å; T345-D348 PolarHBondContact O-N 2.69Å; T345-D348 VanDerWaalsContact O-N 3.16Å; T345-E349 PolarHBondContact O-N 2.93Å
346L70.7Confident63.1Low107 Ų107130.7 Ų130.756%0.5669%0.694SS**Hα-helixtrans-65.3-3.5177.7-150.582.4000114.4F342 R344F342-L346 WeakPolarHBondContact O-CB 3.46Å; F342-L346 PolarHBondContact O-N 3.02Å; F342-L346 VanDerWaalsContact O-N 3.09Å; R344-L346 PolarHBondContact O-N 2.84Å
347K78.6Confident61.6Low165 Ų165130.3 Ų130.372%0.71769%0.694SS**Hα-helixtrans-114.9-21.4177.7-173.8161.8-177165.40113.3R344 T345R344-K347 PolarHBondContact O-N 2.97Å; T345-K347 PolarHBondContact O-N 3.34Å
348D66.3Low60.3Low137 Ų137131.1 Ų131.173%0.73371%0.707SS**Hα-helixtrans-74.9-35.1172.8-136.229.6000110.7R344 T345 G350 T351R344-D348 PolarHBondContact O-N 2.77Å; T345-D348 PolarHBondContact O-N 2.69Å; T345-D348 VanDerWaalsContact O-N 3.16Å; D348-G350 PolarHBondContact O-N 3.18Å; D348-T351 PolarHBondContact O-N 2.87Å
349E61.8Low58.5Low164 Ų164126.6 Ų126.677%0.76671%0.707SS**THydrogen-bonded Turntrans-61.2-13176.5-158.9172.1165.700113.7T345T345-E349 PolarHBondContact O-N 2.93Å
350G56Low57Low65 Ų65125.9 Ų125.967%0.6772%0.717SS**THydrogen-bonded Turntrans-88.46.6176.700000116D348D348-G350 PolarHBondContact O-N 3.18Å
351T54.2Low55Low131 Ų131125.6 Ų125.680%0.80473%0.725SS**SBendtrans-145.828.5-177.1-41.60000113.9D348D348-T351 PolarHBondContact O-N 2.87Å
352G42.5Very low53Low73 Ų73126 Ų12675%0.75374%0.736SS**  trans-89.696.9174.800000113.5
353E41Very low50.8Low174 Ų174125.3 Ų125.381%0.81375%0.748SS**  trans-68151167.6-79.8-168135.800112.4T355E353-T355 PolarHBondContact O-N 3.43Å; E353-T355 PolarHBondContact O-OG1 3.5Å
354L45.5Very low48.4Very low167 Ų167123.8 Ų123.887%0.87476%0.76SS**  trans-53.293.1177.1-176.876.1000112.2
355T38.2Very low46.3Very low128 Ų128124 Ų12479%0.78577%0.769SS**  trans-111.49317934.40000111E353 S357E353-T355 PolarHBondContact O-N 3.43Å; E353-T355 PolarHBondContact O-OG1 3.5Å; T355-S357 PolarHBondContact O-N 3.17Å
356T39.4Very low44.3Very low136 Ų136123 Ų12383%0.83478%0.776SS**  trans-60.5119.1173.745.50000111.4
357S30.8Very low42.5Very low122 Ų122126.5 Ų126.585%0.85379%0.789SS**  trans-144.4143.8161.861.50000110.1T355T355-S357 PolarHBondContact O-N 3.17Å
358S33.9Very low40.2Very low112 Ų112123.9 Ų123.978%0.78379%0.791SS**  trans-122.4131.8-156.656.80000113.9
359S30.6Very low38.6Very low108 Ų108123.3 Ų123.376%0.75580%0.798SS**  trans66.6148.7156.9-141.80000116G361S359-G361 PolarHBondContact OG-N 3.1Å; S359-G361 VanDerWaalsContact OG-N 3.16Å
360P39.1Very low37.3Very low134 Ų134121.6 Ų121.687%0.8780%0.799SS**  -124.1148.975.837.4-30.9000113.3
361G31.9Very low36.4Very low62 Ų62124.5 Ų124.564%0.63981%0.806SS**  trans-108.9155179.400000113.7S359S359-G361 PolarHBondContact OG-N 3.1Å; S359-G361 VanDerWaalsContact OG-N 3.16Å
362T34.9Very low35.4Very low132 Ų132124.2 Ų124.281%0.8180%0.796SS**  trans-133104.3167.951.90000109.9
363S34.8Very low35.1Very low120 Ų120126.8 Ų126.884%0.83980%0.799SS**  trans42.3113.4130.160.70000119.6
364G32.2Very low35.1Very low82 Ų82125.8 Ų125.885%0.84579%0.792SS**  trans-177.198.6166.200000110.8
365E35.1Very low34.6Very low203 Ų203124.5 Ų124.595%0.94979%0.791SS**  trans-87165.8167.6-62.5170.3111.300109.5
366G33.8Very low34.2Very low62 Ų62127.5 Ų127.564%0.63979%0.789SS**  trans123.797.7160.600000117.4
367E31.4Very low34.4Very low180 Ų180125.1 Ų125.184%0.84178%0.778SS**  trans24.9107.4136.861.7-138.684.300123
368S31Very low34.6Very low109 Ų109127.1 Ų127.176%0.76277%0.774SS**  52.2120.9128.765.70000122.6
369S32.3Very low34.9Very low126 Ų126130.5 Ų130.588%0.88178%0.777SS**  -157.7137.8117.6-94.10000111.8
370T34.8Very low35.1Very low128 Ų128129 Ų12979%0.78576%0.764SS**  trans-75.2158.1170.8-13.10000110.7
371P36.6Very low35Very low125 Ų125128.2 Ų128.281%0.81276%0.76SS**  -134.415986.537.4-26.2000114.8
372E33.7Very low35.2Very low125 Ų125133.2 Ų133.258%0.58477%0.766SS**  trans-81.4159.3172.4-136.2-176.4-133.300110.5K374E372-K374 HydrophobicContact CG-CG 4.28Å; E372-K374 WeakPolarHBondContact OE1-CE 3.31Å; E372-K374 IonicContact OE1-NZ 2.65Å; E372-K374 PolarHBondContact OE1-NZ 3.2Å; E372-K374 WeakPolarHBondContact OE2-CG 3.45Å; E372-K374 IonicContact OE2-NZ 3.96Å; E372-K374 PolarHBondContact OE2-NZ 2.87Å
373P36.7Very low35.2Very low128 Ų128135 Ų13583%0.83177%0.765SS**  -139157.586.537.1-23.6000115.3
374K40.1Very low35.8Very low152 Ų152137.4 Ų137.466%0.66177%0.769SS**  trans-85.4139.9176.7-55.3174.3-179.669.20112.5E372E372-K374 HydrophobicContact CG-CG 4.28Å; E372-K374 WeakPolarHBondContact OE1-CE 3.31Å; E372-K374 IonicContact OE1-NZ 2.65Å; E372-K374 PolarHBondContact OE1-NZ 3.2Å; E372-K374 WeakPolarHBondContact OE2-CG 3.45Å; E372-K374 IonicContact OE2-NZ 3.96Å; E372-K374 PolarHBondContact OE2-NZ 2.87Å
375V35.4Very low36Very low140 Ų140136 Ų13685%0.84876%0.755SS**  trans-145.491.7144.1-166.80000105.2
376Y30.6Very low36.3Very low192 Ų192133.5 Ų133.575%0.75375%0.747SS**  43.382.892.8-156.7-89.9000112.1
377S42Very low36.4Very low85 Ų85135.6 Ų135.659%0.59475%0.751SS**  60.172.386.6-175.90000113.7
378E35.9Very low36.9Very low165 Ų165134.7 Ų134.777%0.77174%0.742SS**  trans-138.5112.5147.5-150.8170.8168.400110.6V380E378-V380 VanDerWaalsContact C-N 3.26Å; E378-V380 HydrophobicContact CB-CG2 4.44Å; E378-V380 HydrophobicContact CG-CG2 3.88Å; E378-V380 PolarHBondContact O-N 3.02Å; E378-V380 VanDerWaalsContact O-N 3.09Å
379E40.1Very low37.6Very low183 Ų183134.1 Ų134.186%0.85574%0.738SS**  trans-85.165.9179.9-68.7178.5-144.200110.1C381E379-C381 PolarHBondContact O-N 2.93Å; E379-C381 VanDerWaalsContact O-N 3.07Å
380V33.7Very low38.4Very low77 Ų77132.9 Ų132.947%0.46772%0.72SS.*  trans-79.887.5171.7-171.80000109E378 H382E378-V380 VanDerWaalsContact C-N 3.26Å; E378-V380 HydrophobicContact CB-CG2 4.44Å; E378-V380 HydrophobicContact CG-CG2 3.88Å; E378-V380 PolarHBondContact O-N 3.02Å; E378-V380 VanDerWaalsContact O-N 3.09Å; V380-H382 PolarHBondContact O-N 3.06Å
381C38.2Very low38.9Very low116 Ų116130.3 Ų130.378%0.78471%0.708SS**  trans-62.6100.1166.7-70.70000109.4E379 E383E379-C381 PolarHBondContact O-N 2.93Å; E379-C381 VanDerWaalsContact O-N 3.07Å; C381-E383 PolarHBondContact O-N 3.48Å
382H36Very low39.6Very low167 Ų167131.3 Ų131.377%0.77371%0.706SS**  trans-71.182.7172.9-73.9-67.5000111V380 N384V380-H382 PolarHBondContact O-N 3.06Å; H382-N384 PolarHBondContact O-N 2.86Å
383E35Very low40.6Very low171 Ų171129.3 Ų129.380%0.79971%0.706SS**  trans-52.2113.5166.6178.3-176.9126.300111.2C381 G385C381-E383 PolarHBondContact O-N 3.48Å; E383-G385 VanDerWaalsContact C-N 3.31Å; E383-G385 PolarHBondContact O-N 3.47Å
384N46.4Very low41.5Very low170 Ų170127.1 Ų127.191%0.90969%0.688SS**SBendtrans34.147.7148.4-61.4-28.7000118.2H382H382-N384 PolarHBondContact O-N 2.86Å
385G36.8Very low42.4Very low53 Ų53123.3 Ų123.355%0.54668%0.677SS.*  trans-136.9121.717200000110.4E383 S387E383-G385 VanDerWaalsContact C-N 3.31Å; E383-G385 PolarHBondContact O-N 3.47Å; G385-S387 PolarHBondContact O-N 2.85Å
386L41.7Very low43.6Very low149 Ų149124.3 Ų124.378%0.7867%0.672SS**  trans-76.480172.2-73.1173.2000109.3Y388L386-Y388 HydrophobicContact CB-CD2 3.98Å; L386-Y388 HydrophobicContact CB-CE2 3.99Å; L386-Y388 HydrophobicContact CD1-CE2 4.07Å; L386-Y388 HydrophobicContact CG-CE2 4.48Å; L386-Y388 PolarHBondContact O-N 2.99Å
387S35.3Very low45.3Very low106 Ų106122.9 Ų122.974%0.74167%0.672SS**  trans-6881.2169.7-61.60000109.7G385 S389G385-S387 PolarHBondContact O-N 2.85Å; S387-S389 PolarHBondContact O-N 3.34Å
388Y43.5Very low47Very low162 Ų162121.2 Ų121.264%0.63566%0.656SS**  trans-70.261175.4-87.6-71.6000112.2L386 L390L386-Y388 HydrophobicContact CB-CD2 3.98Å; L386-Y388 HydrophobicContact CB-CE2 3.99Å; L386-Y388 HydrophobicContact CD1-CE2 4.07Å; L386-Y388 HydrophobicContact CG-CE2 4.48Å; L386-Y388 PolarHBondContact O-N 2.99Å; Y388-L390 HydrophobicContact CD1-CD1 3.7Å; Y388-L390 HydrophobicContact CD1-CG 3.97Å; Y388-L390 HydrophobicContact CE1-CD1 3.88Å; Y388-L390 HydrophobicContact CE1-CG 4.45Å; Y388-L390 PolarHBondContact O-N 3.03Å
389S43.8Very low49.2Very low97 Ų97117.7 Ų117.768%0.67865%0.65SS**  trans-79.257.2157.1-68.80000109.3S387 S391S387-S389 PolarHBondContact O-N 3.34Å; S389-S391 PolarHBondContact O-N 2.87Å
390L50.7Low51.2Low99 Ų99113.2 Ų113.252%0.51864%0.639SS.*  trans-64.783.6173.6-106.4174.9000109.1Y388 D394Y388-L390 HydrophobicContact CD1-CD1 3.7Å; Y388-L390 HydrophobicContact CD1-CG 3.97Å; Y388-L390 HydrophobicContact CE1-CD1 3.88Å; Y388-L390 HydrophobicContact CE1-CG 4.45Å; Y388-L390 PolarHBondContact O-N 3.03Å; L390-D394 HydrophobicContact CD2-CB 4.29Å
391S44.5Very low53.8Low74 Ų74114 Ų11452%0.51765%0.648SS.*  trans-74.8141.5161.8-61.50000107.6S389 S393 D394S389-S391 PolarHBondContact O-N 2.87Å; S391-S393 PolarHBondContact O-N 3.38Å; S391-D394 PolarHBondContact O-N 2.7Å
392D52.5Low56.1Low146 Ų146111.6 Ų111.678%0.78163%0.627SS**G310 helixtrans-48.1-26.5179-96.9-51000113.5D394 T395D392-D394 VanDerWaalsContact C-N 3.27Å; D392-D394 PolarHBondContact O-N 3.11Å; D392-T395 WeakPolarHBondContact O-CB 3.12Å; D392-T395 WeakPolarHBondContact O-CG2 3.46Å; D392-T395 PolarHBondContact O-N 3.45Å; D392-T395 PolarHBondContact O-OG1 3Å
393S53.9Low58.6Low84 Ų84107 Ų10759%0.58761%0.606SS**G310 helixtrans-60.2-25.5177.4-157.60000115.1S391 T395S391-S393 PolarHBondContact O-N 3.38Å; S393-T395 PolarHBondContact O-N 3.44Å
394D55.7Low61.3Low82 Ų82101.5 Ų101.544%0.43959%0.589SS.*G310 helixtrans-78-10.4-178.7-72.3-15.3000112.8L390 S391 D392 E396 H397L390-D394 HydrophobicContact CD2-CB 4.29Å; S391-D394 PolarHBondContact O-N 2.7Å; D392-D394 VanDerWaalsContact C-N 3.27Å; D392-D394 PolarHBondContact O-N 3.11Å; D394-E396 PolarHBondContact O-N 3.22Å; D394-E396 VanDerWaalsContact O-N 3.14Å; D394-H397 PolarHBondContact O-N 2.95Å; D394-H397 VanDerWaalsContact O-N 3.09Å
395T58Low63.4Low72 Ų7298 Ų9844%0.44257%0.568SS.*G310 helixtrans-61.7-19.9174.561.10000113D392 S393 H397 L398D392-T395 WeakPolarHBondContact O-CB 3.12Å; D392-T395 WeakPolarHBondContact O-CG2 3.46Å; D392-T395 PolarHBondContact O-N 3.45Å; D392-T395 PolarHBondContact O-OG1 3Å; S393-T395 PolarHBondContact O-N 3.44Å; T395-H397 PolarHBondContact O-N 3.36Å; T395-L398 WeakPolarHBondContact O-CG 3.27Å
396E60.8Low65.9Low160 Ų16098.7 Ų98.775%0.74856%0.557SS**G310 helixtrans-75.7-4.6176.1-58.5-167174.200114D394D394-E396 PolarHBondContact O-N 3.22Å; D394-E396 VanDerWaalsContact O-N 3.14Å
397H66.1Low68.2Low162 Ų16299.4 Ų99.475%0.7555%0.549SS*.G310 helixtrans-1167.6-179-67.4-3.7000113.9D394 T395D394-H397 PolarHBondContact O-N 2.95Å; D394-H397 VanDerWaalsContact O-N 3.09Å; T395-H397 PolarHBondContact O-N 3.36Å
398L77.8Confident71.1Confident50 Ų5099.6 Ų99.626%0.26254%0.541SS..SBendtrans-65.2134.6171.4-56.1176.6000110.4T395 L402 E403T395-L398 WeakPolarHBondContact O-CG 3.27Å; L398-L402 HydrophobicContact CB-CB 4.28Å; L398-L402 HydrophobicContact CB-CD2 4.24Å; L398-L402 HydrophobicContact CB-CG 4.41Å; L398-L402 HydrophobicContact CD2-CD2 3.66Å; L398-L402 HydrophobicContact CD2-CG 4.2Å; L398-L402 HydrophobicContact CG-CD2 4.49Å; L398-E403 HydrophobicContact CB-CB 4.45Å
399S82.3Confident73.4Confident91 Ų9195.8 Ų95.864%0.63653%0.531SS*.  trans-59.2143.9169.1-750000110.2S401 L402 E403S399-S401 PolarHBondContact O-N 3.14Å; S399-L402 WeakPolarHBondContact O-CA 3.39Å; S399-L402 WeakPolarHBondContact O-CB 3.47Å; S399-L402 PolarHBondContact O-N 3.33Å; S399-E403 PolarHBondContact O-N 2.9Å
400S83.3Confident75.6Confident89 Ų8999.4 Ų99.462%0.62254%0.535SS*.Hα-helixtrans-55.3-27.1-172-179.10000115.4A404S400-A404 WeakPolarHBondContact O-CB 3.43Å; S400-A404 PolarHBondContact O-N 3.39Å; S400-A404 VanDerWaalsContact O-N 3.11Å
401S86.9Confident77.4Confident93 Ų9398.9 Ų98.965%0.6554%0.544SS*.Hα-helixtrans-68.8-37.1171.1-167.50000113.1S399 A404 E405S399-S401 PolarHBondContact O-N 3.14Å; S401-A404 PolarHBondContact O-N 2.82Å; S401-E405 PolarHBondContact O-N 3.14Å
402L86.8Confident79.6Confident66 Ų66101.6 Ų101.635%0.34655%0.551SS.*Hα-helixtrans-72.9-42.3179-164.265.6000110.3L398 S399 A404 E405 H406L398-L402 HydrophobicContact CB-CB 4.28Å; L398-L402 HydrophobicContact CB-CD2 4.24Å; L398-L402 HydrophobicContact CB-CG 4.41Å; L398-L402 HydrophobicContact CD2-CD2 3.66Å; L398-L402 HydrophobicContact CD2-CG 4.2Å; L398-L402 HydrophobicContact CG-CD2 4.49Å; S399-L402 WeakPolarHBondContact O-CA 3.39Å; S399-L402 WeakPolarHBondContact O-CB 3.47Å; S399-L402 PolarHBondContact O-N 3.33Å; L402-A404 VanDerWaalsContact C-N 3.3Å; L402-A404 PolarHBondContact O-N 2.98Å; L402-E405 HydrophobicContact CD1-CG 4.39Å; L402-E405 WeakPolarHBondContact O-CG 3.36Å; L402-E405 PolarHBondContact O-N 3.35Å; L402-H406 PolarHBondContact O-CD2 3.09Å; L402-H406 PolarHBondContact O-N 3.39Å
403E89.3Confident81.2Confident71 Ų7197.7 Ų97.733%0.33255%0.545SS..Hα-helixtrans-56.7-42.7169.3-174-129.4134.600111.8L398 S399 H406 R407L398-E403 HydrophobicContact CB-CB 4.45Å; S399-E403 PolarHBondContact O-N 2.9Å; E403-H406 PolarHBondContact O-N 3.05Å; E403-R407 WeakPolarHBondContact O-CB 3.22Å; E403-R407 VanDerWaalsContact O-CG 3.3Å; E403-R407 WeakPolarHBondContact O-CG 3.25Å; E403-R407 PolarHBondContact O-N 2.81Å; E403-R407 WeakPolarHBondContact OE1-CD 3.38Å; E403-R407 IonicContact OE1-CZ 3.74Å; E403-R407 IonicContact OE1-NE 2.65Å; E403-R407 IonicContact OE1-NH1 2.71Å; E403-R407 PolarHBondContact OE1-NH1 2.79Å
404A91.3Very high82.7Confident55 Ų55102.3 Ų102.346%0.45555%0.55SS..Hα-helixtrans-66-37.1-179.700000113.4S400 S401 L402 L408S400-A404 WeakPolarHBondContact O-CB 3.43Å; S400-A404 PolarHBondContact O-N 3.39Å; S400-A404 VanDerWaalsContact O-N 3.11Å; S401-A404 PolarHBondContact O-N 2.82Å; L402-A404 VanDerWaalsContact C-N 3.3Å; L402-A404 PolarHBondContact O-N 2.98Å; A404-L408 WeakPolarHBondContact O-CB 3.34Å; A404-L408 PolarHBondContact O-N 2.9Å
405E90.4Very high83.6Confident98 Ų98104.9 Ų104.946%0.45856%0.559SS.*Hα-helixtrans-75.5-37.8174.460.5-174.5-117.700112.7S401 L402 R407 L408 L409S401-E405 PolarHBondContact O-N 3.14Å; L402-E405 HydrophobicContact CD1-CG 4.39Å; L402-E405 WeakPolarHBondContact O-CG 3.36Å; L402-E405 PolarHBondContact O-N 3.35Å; E405-R407 VanDerWaalsContact C-N 3.28Å; E405-R407 PolarHBondContact O-N 2.86Å; E405-L408 PolarHBondContact O-N 2.87Å; E405-L408 VanDerWaalsContact O-N 3.11Å; E405-L409 WeakPolarHBondContact O-CB 3.47Å; E405-L409 WeakPolarHBondContact O-CG 3.45Å; E405-L409 PolarHBondContact O-N 3.08Å
406H88.9Confident84Confident67 Ų67108.6 Ų108.631%0.3157%0.571SS.*Hα-helixtrans-57.3-43.2170.5-78.3-130.4000110.9L402 E403 L409 K410L402-H406 PolarHBondContact O-CD2 3.09Å; L402-H406 PolarHBondContact O-N 3.39Å; E403-H406 PolarHBondContact O-N 3.05Å; H406-L409 PolarHBondContact O-N 3.14Å; H406-K410 WeakPolarHBondContact O-CB 3.33Å; H406-K410 PolarHBondContact O-N 3.02Å
407R91.6Very high84.2Confident164 Ų164107.3 Ų107.362%0.61956%0.56SS**Hα-helixtrans-65.2-37.7174.7-74.5170.661.4-179.10.5113E403 E405 A411E403-R407 WeakPolarHBondContact O-CB 3.22Å; E403-R407 VanDerWaalsContact O-CG 3.3Å; E403-R407 WeakPolarHBondContact O-CG 3.25Å; E403-R407 PolarHBondContact O-N 2.81Å; E403-R407 WeakPolarHBondContact OE1-CD 3.38Å; E403-R407 IonicContact OE1-CZ 3.74Å; E403-R407 IonicContact OE1-NE 2.65Å; E403-R407 IonicContact OE1-NH1 2.71Å; E403-R407 PolarHBondContact OE1-NH1 2.79Å; E405-R407 VanDerWaalsContact C-N 3.28Å; E405-R407 PolarHBondContact O-N 2.86Å; R407-A411 WeakPolarHBondContact O-CB 3.46Å; R407-A411 PolarHBondContact O-N 3.11Å
408L94.6Very high84.2Confident110 Ų110103.9 Ų103.958%0.57655%0.552SS**Hα-helixtrans-66.6-46.1175.4176.761000111.7A404 E405 A411 M412A404-L408 WeakPolarHBondContact O-CB 3.34Å; A404-L408 PolarHBondContact O-N 2.9Å; E405-L408 PolarHBondContact O-N 2.87Å; E405-L408 VanDerWaalsContact O-N 3.11Å; L408-A411 PolarHBondContact O-N 2.93Å; L408-M412 HydrophobicContact CD1-CG 4.03Å; L408-M412 HydrophobicContact CG-CG 4.5Å; L408-M412 WeakPolarHBondContact O-CB 3.33Å; L408-M412 VanDerWaalsContact O-CG 3.25Å; L408-M412 WeakPolarHBondContact O-CG 3.33Å; L408-M412 PolarHBondContact O-N 2.96Å
409L92.2Very high83.2Confident82 Ų82110.9 Ų110.943%0.42958%0.584SS.*Hα-helixtrans-57.7-51.8176.8-72.8169000110.4E405 H406 A411 M412 G413 W414E405-L409 WeakPolarHBondContact O-CB 3.47Å; E405-L409 WeakPolarHBondContact O-CG 3.45Å; E405-L409 PolarHBondContact O-N 3.08Å; H406-L409 PolarHBondContact O-N 3.14Å; L409-A411 PolarHBondContact O-N 3.45Å; L409-M412 CarbonylContact O-C 3.47Å; L409-M412 WeakPolarHBondContact O-CA 3.44Å; L409-M412 PolarHBondContact O-N 3.01Å; L409-G413 PolarHBondContact O-N 2.84Å; L409-W414 HydrophobicContact CB-CB 4.02Å; L409-W414 HydrophobicContact CD2-CB 4.08Å; L409-W414 HydrophobicContact CD2-CG 4.06Å; L409-W414 WeakPolarHBondContact O-CB 3.36Å; L409-W414 PolarHBondContact O-N 3.08Å
410K90.3Very high81.7Confident173 Ų173113.1 Ų113.175%0.75259%0.589SS**Hα-helixtrans-59.9-41.2177.4-163.5162.9-172.1162.30112.5H406 M412 G413H406-K410 WeakPolarHBondContact O-CB 3.33Å; H406-K410 PolarHBondContact O-N 3.02Å; K410-M412 VanDerWaalsContact C-N 3.31Å; K410-M412 PolarHBondContact O-N 2.74Å; K410-G413 PolarHBondContact O-N 3.24Å
411A88.1Confident80.2Confident87 Ų87112.3 Ų112.372%0.71958%0.577SS**Hα-helixtrans-68.7-26.8175.100000113.8R407 L408 L409 G413R407-A411 WeakPolarHBondContact O-CB 3.46Å; R407-A411 PolarHBondContact O-N 3.11Å; L408-A411 PolarHBondContact O-N 2.93Å; L409-A411 PolarHBondContact O-N 3.45Å; A411-G413 VanDerWaalsContact C-N 3.29Å
412M91.1Very high78.7Confident132 Ų132115.1 Ų115.165%0.6559%0.585SS**THydrogen-bonded Turntrans-85.23.6174.1-72.6-65-58.700113.3L408 L409 K410 W414L408-M412 HydrophobicContact CD1-CG 4.03Å; L408-M412 HydrophobicContact CG-CG 4.5Å; L408-M412 WeakPolarHBondContact O-CB 3.33Å; L408-M412 VanDerWaalsContact O-CG 3.25Å; L408-M412 WeakPolarHBondContact O-CG 3.33Å; L408-M412 PolarHBondContact O-N 2.96Å; L409-M412 CarbonylContact O-C 3.47Å; L409-M412 WeakPolarHBondContact O-CA 3.44Å; L409-M412 PolarHBondContact O-N 3.01Å; K410-M412 VanDerWaalsContact C-N 3.31Å; K410-M412 PolarHBondContact O-N 2.74Å; M412-W414 VanDerWaalsContact C-N 3.32Å
413G86.1Confident77.4Confident64 Ų64118.3 Ų118.366%0.6660%0.603SS**THydrogen-bonded Turntrans78.910.5-179.400000114.7L409 K410 A411 Q415L409-G413 PolarHBondContact O-N 2.84Å; K410-G413 PolarHBondContact O-N 3.24Å; A411-G413 VanDerWaalsContact C-N 3.29Å; G413-Q415 PolarHBondContact O-N 2.83Å
414W85.4Confident75.8Confident181 Ų181123.1 Ų123.169%0.68662%0.623SS**  trans-7793.1167.7-66.683000108.1L409 M412L409-W414 HydrophobicContact CB-CB 4.02Å; L409-W414 HydrophobicContact CD2-CB 4.08Å; L409-W414 HydrophobicContact CD2-CG 4.06Å; L409-W414 WeakPolarHBondContact O-CB 3.36Å; L409-W414 PolarHBondContact O-N 3.08Å; M412-W414 VanDerWaalsContact C-N 3.32Å
415Q73.9Confident74.8Confident136 Ų136127.1 Ų127.164%0.63664%0.636SS**  trans-83.2116.1170.2-175.6157.5-6.600108.5G413 Y417G413-Q415 PolarHBondContact O-N 2.83Å; Q415-Y417 HydrophobicContact CB-CD2 4.39Å; Q415-Y417 HydrophobicContact CB-CE2 4Å; Q415-Y417 HydrophobicContact CG-CD2 4.32Å; Q415-Y417 HydrophobicContact CG-CE2 4.16Å; Q415-Y417 VanDerWaalsContact O-CD2 3.27Å; Q415-Y417 WeakPolarHBondContact O-CD2 3.48Å; Q415-Y417 PolarHBondContact O-N 3.4Å; Q415-Y417 VanDerWaalsContact O-N 3.17Å
416E66.7Low74.1Confident150 Ų150127.8 Ų127.870%0.70165%0.648SS**  trans-65.6106.4160.1-172.7164.5-142.200106.6
417Y64.4Low73.3Confident133 Ų133130.6 Ų130.652%0.52267%0.665SS.*  trans-76.7142.7169.6-73.7-99.2000107.6Q415 E419Q415-Y417 HydrophobicContact CB-CD2 4.39Å; Q415-Y417 HydrophobicContact CB-CE2 4Å; Q415-Y417 HydrophobicContact CG-CD2 4.32Å; Q415-Y417 HydrophobicContact CG-CE2 4.16Å; Q415-Y417 VanDerWaalsContact O-CD2 3.27Å; Q415-Y417 WeakPolarHBondContact O-CD2 3.48Å; Q415-Y417 PolarHBondContact O-N 3.4Å; Q415-Y417 VanDerWaalsContact O-N 3.17Å; Y417-E419 PolarHBondContact O-N 3.37Å
418P66.3Low72.9Confident89 Ų89125.9 Ų125.958%0.57866%0.655SS**  trans-56.4139.9169.226.9-34000108.8N420 D421P418-N420 PolarHBondContact O-N 3.5Å; P418-D421 PolarHBondContact O-N 2.92Å
419E57Low72.5Confident197 Ų197126.9 Ų126.992%0.92166%0.656SS**THydrogen-bonded Turntrans-68.817.2-172.1-152.8170.6-149.200114Y417Y417-E419 PolarHBondContact O-N 3.37Å
420N51.9Low72.3Confident139 Ų139128 Ų12874%0.74366%0.663SS**THydrogen-bonded Turntrans-132.216.9-170.6-154.34000111.8P418 D422P418-N420 PolarHBondContact O-N 3.5Å; N420-D422 PolarHBondContact O-N 2.86Å
421D51.5Low72.4Confident71 Ų71124.8 Ų124.838%0.3865%0.651SS.*  trans-82.292.2166.7-115.6-27.4000109.2P418 N423 F424P418-D421 PolarHBondContact O-N 2.92Å; D421-N423 PolarHBondContact O-N 2.81Å; D421-F424 PolarHBondContact O-N 3.16Å
422D55.4Low72.7Confident153 Ų153124.5 Ų124.582%0.81864%0.637SS**THydrogen-bonded Turntrans-57.61.9169.3-81.7-42.4000113.6N420 F424N420-D422 PolarHBondContact O-N 2.86Å; D422-F424 PolarHBondContact O-N 3.09Å
423N58.2Low72.6Confident133 Ų133123 Ų12371%0.71162%0.624SS**THydrogen-bonded Turntrans-72-4.4176.9-16480.4000113.4D421 L425D421-N423 PolarHBondContact O-N 2.81Å; N423-L425 PolarHBondContact O-N 2.82Å
424F55.7Low73Confident171 Ų171125 Ų12575%0.7562%0.615SS**  trans-70.576.6159.3-70.1-75000110.5D421 D422D421-F424 PolarHBondContact O-N 3.16Å; D422-F424 PolarHBondContact O-N 3.09Å
425L72.1Confident73.4Confident140 Ų140122.6 Ų122.673%0.73361%0.61SS**  trans-50.9130.6166.9-68.8174.7000109N423 L427N423-L425 PolarHBondContact O-N 2.82Å; L425-L427 PolarHBondContact O-N 3.07Å
426P73.9Confident74.2Confident111 Ų111121.4 Ų121.472%0.72161%0.605SS**  trans-58.2139.517625.5-34000108.9T428P426-T428 PolarHBondContact O-N 2.97Å; P426-T428 VanDerWaalsContact O-N 3.11Å
427L73Confident75.5Confident126 Ų126117.6 Ų117.666%0.6659%0.592SS**  trans-44123.1-174.1-81.187.5000110L425L425-L427 PolarHBondContact O-N 3.07Å
428T83.2Confident76.7Confident66 Ų66117.2 Ų117.241%0.40559%0.593SS.*  trans-60.8151.3-176.662.30000109.5P426 D430 E431 L432P426-T428 PolarHBondContact O-N 2.97Å; P426-T428 VanDerWaalsContact O-N 3.11Å; T428-D430 PolarHBondContact O-N 2.69Å; T428-D430 VanDerWaalsContact O-N 3.07Å; T428-E431 WeakPolarHBondContact CB-OE2 3.42Å; T428-E431 WeakPolarHBondContact CG2-OE2 2.96Å; T428-E431 PolarHBondContact N-OE2 2.84Å; T428-E431 PolarHBondContact O-N 3.35Å; T428-E431 VanDerWaalsContact OG1-CD 3.28Å; T428-E431 VanDerWaalsContact OG1-CG 3.28Å; T428-E431 WeakPolarHBondContact OG1-CG 3.3Å; T428-E431 PolarHBondContact OG1-N 3.11Å; T428-E431 PolarHBondContact OG1-OE2 2.97Å; T428-L432 PolarHBondContact O-N 2.71Å
429E86Confident77.7Confident130 Ų130116.1 Ų116.161%0.60758%0.584SS**Hα-helixtrans-56.1-32.3-178.7-153.4-155.3124.400111.2R433E429-R433 WeakPolarHBondContact O-CB 3.45Å; E429-R433 WeakPolarHBondContact O-CG 3.42Å; E429-R433 PolarHBondContact O-N 2.96Å; E429-R433 IonicContact OE1-CZ 3.51Å; E429-R433 IonicContact OE1-NH1 2.68Å; E429-R433 PolarHBondContact OE1-NH1 2.78Å; E429-R433 IonicContact OE2-NH1 3.45Å
430D88.9Confident79.2Confident107 Ų107110.9 Ų110.957%0.57256%0.56SS**Hα-helixtrans-62.2-48.2173.1-74.941.2000113T428 R433 E434T428-D430 PolarHBondContact O-N 2.69Å; T428-D430 VanDerWaalsContact O-N 3.07Å; D430-R433 PolarHBondContact O-N 3.34Å; D430-R433 IonicContact OD1-CZ 2.69Å; D430-R433 IonicContact OD1-NH1 3.53Å; D430-R433 PolarHBondContact OD1-NH1 2.9Å; D430-R433 IonicContact OD1-NH2 3.82Å; D430-R433 PolarHBondContact OD1-NH2 2.85Å; D430-R433 IonicContact OD2-NH2 2.71Å; D430-E434 PolarHBondContact O-N 3.02Å
431E92.5Very high80.9Confident105 Ų105109.5 Ų109.549%0.49155%0.549SS..Hα-helixtrans-66.9-39.2177.1-70.6164124.500112T428 R433 E434 F435T428-E431 WeakPolarHBondContact CB-OE2 3.42Å; T428-E431 WeakPolarHBondContact CG2-OE2 2.96Å; T428-E431 PolarHBondContact N-OE2 2.84Å; T428-E431 PolarHBondContact O-N 3.35Å; T428-E431 VanDerWaalsContact OG1-CD 3.28Å; T428-E431 VanDerWaalsContact OG1-CG 3.28Å; T428-E431 WeakPolarHBondContact OG1-CG 3.3Å; T428-E431 PolarHBondContact OG1-N 3.11Å; T428-E431 PolarHBondContact OG1-OE2 2.97Å; E431-R433 VanDerWaalsContact C-N 3.35Å; E431-E434 PolarHBondContact O-N 3.08Å; E431-F435 PolarHBondContact O-N 3.47Å
432L92.6Very high82.4Confident81 Ų81112.4 Ų112.442%0.42456%0.564SS.*Hα-helixtrans-63-42.1175.2-176.661.1000111.1T428 F435 Q436T428-L432 PolarHBondContact O-N 2.71Å; L432-F435 PolarHBondContact O-N 3.17Å; L432-Q436 VanDerWaalsContact O-CG 3.31Å; L432-Q436 WeakPolarHBondContact O-CG 3.21Å; L432-Q436 PolarHBondContact O-N 3.39Å
433R90.8Very high83.7Confident101 Ų101112.1 Ų112.138%0.38156%0.555SS.*Hα-helixtrans-69.4-33174.1-69.4-179.1-30.8-110.1-8.1112.3E429 D430 E431 T437E429-R433 WeakPolarHBondContact O-CB 3.45Å; E429-R433 WeakPolarHBondContact O-CG 3.42Å; E429-R433 PolarHBondContact O-N 2.96Å; E429-R433 IonicContact OE1-CZ 3.51Å; E429-R433 IonicContact OE1-NH1 2.68Å; E429-R433 PolarHBondContact OE1-NH1 2.78Å; E429-R433 IonicContact OE2-NH1 3.45Å; D430-R433 PolarHBondContact O-N 3.34Å; D430-R433 IonicContact OD1-CZ 2.69Å; D430-R433 IonicContact OD1-NH1 3.53Å; D430-R433 PolarHBondContact OD1-NH1 2.9Å; D430-R433 IonicContact OD1-NH2 3.82Å; D430-R433 PolarHBondContact OD1-NH2 2.85Å; D430-R433 IonicContact OD2-NH2 2.71Å; E431-R433 VanDerWaalsContact C-N 3.35Å; R433-T437 WeakPolarHBondContact O-CB 3.37Å; R433-T437 WeakPolarHBondContact O-CG2 3.49Å; R433-T437 PolarHBondContact O-N 2.96Å; R433-T437 PolarHBondContact O-OG1 3.42Å
434E93.8Very high84.6Confident104 Ų104110.9 Ų110.949%0.48654%0.544SS..Hα-helixtrans-62.9-49.4169.6-158.8-154.5119.700110.2D430 E431 Q436 T437 K438D430-E434 PolarHBondContact O-N 3.02Å; E431-E434 PolarHBondContact O-N 3.08Å; E434-Q436 VanDerWaalsContact C-N 3.33Å; E434-Q436 PolarHBondContact O-N 2.65Å; E434-T437 PolarHBondContact O-N 3.43Å; E434-T437 PolarHBondContact O-OG1 3.1Å; E434-T437 VanDerWaalsContact O-OG1 3.1Å; E434-K438 WeakPolarHBondContact O-CB 3.46Å; E434-K438 PolarHBondContact O-N 3Å; E434-K438 WeakPolarHBondContact OE1-CD 3.28Å; E434-K438 WeakPolarHBondContact OE1-CE 3.36Å; E434-K438 IonicContact OE1-NZ 3.74Å; E434-K438 PolarHBondContact OE1-NZ 2.84Å
435F93.6Very high85.2Confident131 Ų131107 Ų10758%0.57553%0.53SS*.Hα-helixtrans-59.7-42.4-179.5-169.2-93000112.5E431 L432 T439E431-F435 PolarHBondContact O-N 3.47Å; L432-F435 PolarHBondContact O-N 3.17Å; F435-T439 HydrophobicContact CD1-CG2 4.25Å; F435-T439 HydrophobicContact CE1-CG2 3.86Å; F435-T439 HydrophobicContact CZ-CG2 4.08Å; F435-T439 WeakPolarHBondContact O-CB 3.38Å; F435-T439 WeakPolarHBondContact O-CG2 3.2Å; F435-T439 PolarHBondContact O-N 3.13Å; F435-T439 PolarHBondContact O-OG1 3.2Å
436Q91.6Very high84.6Confident111 Ų111103.5 Ų103.552%0.51953%0.528SS..Hα-helixtrans-63.7-48.8174.4-71.5176.716.900112.4L432 E434 K438 T439 E440L432-Q436 VanDerWaalsContact O-CG 3.31Å; L432-Q436 WeakPolarHBondContact O-CG 3.21Å; L432-Q436 PolarHBondContact O-N 3.39Å; E434-Q436 VanDerWaalsContact C-N 3.33Å; E434-Q436 PolarHBondContact O-N 2.65Å; Q436-K438 VanDerWaalsContact C-N 3.32Å; Q436-K438 PolarHBondContact O-N 3.2Å; Q436-T439 PolarHBondContact O-N 2.99Å; Q436-T439 PolarHBondContact O-OG1 3.07Å; Q436-E440 WeakPolarHBondContact O-CB 3.33Å; Q436-E440 PolarHBondContact O-N 2.98Å
437T92.6Very high83.9Confident70 Ų70105.9 Ų105.943%0.42953%0.532SS..Hα-helixtrans-68.5-30.2179.453.80000112.7R433 E434 Q441R433-T437 WeakPolarHBondContact O-CB 3.37Å; R433-T437 WeakPolarHBondContact O-CG2 3.49Å; R433-T437 PolarHBondContact O-N 2.96Å; R433-T437 PolarHBondContact O-OG1 3.42Å; E434-T437 PolarHBondContact O-N 3.43Å; E434-T437 PolarHBondContact O-OG1 3.1Å; E434-T437 VanDerWaalsContact O-OG1 3.1Å; T437-Q441 VanDerWaalsContact O-CB 3.28Å; T437-Q441 WeakPolarHBondContact O-CB 3.39Å; T437-Q441 VanDerWaalsContact O-CG 3.22Å; T437-Q441 WeakPolarHBondContact O-CG 3.12Å; T437-Q441 PolarHBondContact O-N 2.75Å
438K89.7Confident83.2Confident126 Ų126106.3 Ų106.355%0.54853%0.531SS..Hα-helixtrans-73.5-39.4176.7-163.5177.3-151.7161.10111.9E434 Q436 L442E434-K438 WeakPolarHBondContact O-CB 3.46Å; E434-K438 PolarHBondContact O-N 3Å; E434-K438 WeakPolarHBondContact OE1-CD 3.28Å; E434-K438 WeakPolarHBondContact OE1-CE 3.36Å; E434-K438 IonicContact OE1-NZ 3.74Å; E434-K438 PolarHBondContact OE1-NZ 2.84Å; Q436-K438 VanDerWaalsContact C-N 3.32Å; Q436-K438 PolarHBondContact O-N 3.2Å; K438-L442 WeakPolarHBondContact O-CB 3.35Å; K438-L442 PolarHBondContact O-N 3.19Å
439T88Confident81.7Confident65 Ų65113.9 Ų113.940%0.39955%0.552SS.*Hα-helixtrans-71.6-36171.649.70000112.3F435 Q436 L442 K443F435-T439 HydrophobicContact CD1-CG2 4.25Å; F435-T439 HydrophobicContact CE1-CG2 3.86Å; F435-T439 HydrophobicContact CZ-CG2 4.08Å; F435-T439 WeakPolarHBondContact O-CB 3.38Å; F435-T439 WeakPolarHBondContact O-CG2 3.2Å; F435-T439 PolarHBondContact O-N 3.13Å; F435-T439 PolarHBondContact O-OG1 3.2Å; Q436-T439 PolarHBondContact O-N 2.99Å; Q436-T439 PolarHBondContact O-OG1 3.07Å; T439-L442 PolarHBondContact O-N 2.98Å; T439-K443 WeakPolarHBondContact O-CB 3.35Å; T439-K443 PolarHBondContact O-N 3.19Å
440E88.4Confident79.9Confident88 Ų88115.7 Ų115.741%0.41157%0.565SS.*Hα-helixtrans-65.8-43.5170.6-160.5-141.6126.800111.7Q436 L442 K443 K444Q436-E440 WeakPolarHBondContact O-CB 3.33Å; Q436-E440 PolarHBondContact O-N 2.98Å; E440-L442 VanDerWaalsContact C-N 3.32Å; E440-L442 PolarHBondContact O-N 3.04Å; E440-K443 WeakPolarHBondContact O-CB 3.23Å; E440-K443 PolarHBondContact O-N 3.26Å; E440-K444 VanDerWaalsContact O-CB 3.24Å; E440-K444 WeakPolarHBondContact O-CB 3.29Å; E440-K444 PolarHBondContact O-N 2.96Å; E440-K444 IonicContact OE1-NZ 3.43Å
441Q86.6Confident77.8Confident110 Ų110113.4 Ų113.451%0.51457%0.568SS.*Hα-helixtrans-57.8-43.9172.6-82.4-179.75700111.4T437 K443 K444 N445T437-Q441 VanDerWaalsContact O-CB 3.28Å; T437-Q441 WeakPolarHBondContact O-CB 3.39Å; T437-Q441 VanDerWaalsContact O-CG 3.22Å; T437-Q441 WeakPolarHBondContact O-CG 3.12Å; T437-Q441 PolarHBondContact O-N 2.75Å; Q441-K443 PolarHBondContact O-N 3.29Å; Q441-K444 PolarHBondContact O-N 3.13Å; Q441-N445 WeakPolarHBondContact O-CB 3.34Å; Q441-N445 PolarHBondContact O-N 3.08Å; Q441-N445 PolarHBondContact O-ND2 3.24Å; Q441-N445 VanDerWaalsContact O-ND2 3.15Å
442L84.9Confident75.8Confident131 Ų131115.8 Ų115.869%0.68659%0.589SS**Hα-helixtrans-61.6-44.9176.3-175.759.7000111.8K438 T439 E440 K444 G446K438-L442 WeakPolarHBondContact O-CB 3.35Å; K438-L442 PolarHBondContact O-N 3.19Å; T439-L442 PolarHBondContact O-N 2.98Å; E440-L442 VanDerWaalsContact C-N 3.32Å; E440-L442 PolarHBondContact O-N 3.04Å; L442-K444 PolarHBondContact O-N 2.59Å; L442-G446 PolarHBondContact O-N 3.12Å
443K81.3Confident73.8Confident148 Ų148119.2 Ų119.264%0.64361%0.607SS**Hα-helixtrans-59.4-42.9174.8-179.6-179.767.8-173.80112.4T439 E440 Q441T439-K443 WeakPolarHBondContact O-CB 3.35Å; T439-K443 PolarHBondContact O-N 3.19Å; E440-K443 WeakPolarHBondContact O-CB 3.23Å; E440-K443 PolarHBondContact O-N 3.26Å; Q441-K443 PolarHBondContact O-N 3.29Å
444K77.6Confident71.8Confident107 Ų107119.8 Ų119.847%0.46562%0.624SS.*Hα-helixtrans-74.3-46.1-178.3-169.5173.4-171.1166.50112.2E440 Q441 L442 G446 M447 Q448E440-K444 VanDerWaalsContact O-CB 3.24Å; E440-K444 WeakPolarHBondContact O-CB 3.29Å; E440-K444 PolarHBondContact O-N 2.96Å; E440-K444 IonicContact OE1-NZ 3.43Å; Q441-K444 PolarHBondContact O-N 3.13Å; L442-K444 PolarHBondContact O-N 2.59Å; K444-G446 VanDerWaalsContact C-N 3.3Å; K444-G446 PolarHBondContact O-N 3.3Å; K444-M447 PolarHBondContact O-N 3.28Å; K444-M447 VanDerWaalsContact O-N 3.14Å; K444-Q448 PolarHBondContact O-N 3.03Å
445N68.7Low69.4Low88 Ų88126.3 Ų126.347%0.47164%0.644SS.*Hα-helixtrans-69.4-29179-65.1-21.1000112Q441 M447Q441-N445 WeakPolarHBondContact O-CB 3.34Å; Q441-N445 PolarHBondContact O-N 3.08Å; Q441-N445 PolarHBondContact O-ND2 3.24Å; Q441-N445 VanDerWaalsContact O-ND2 3.15Å; N445-M447 PolarHBondContact O-N 2.84Å
446G59.5Low67.1Low67 Ų67126.2 Ų126.269%0.69165%0.654SS**Hα-helixtrans-64.2-24.7171.100000114.1L442 K444L442-G446 PolarHBondContact O-N 3.12Å; K444-G446 VanDerWaalsContact C-N 3.3Å; K444-G446 PolarHBondContact O-N 3.3Å
447M58.1Low65Low161 Ų161132.2 Ų132.279%0.79367%0.672SS**Hα-helixtrans-96-20.1-177.4-149.479.881.900114K444 N445K444-M447 PolarHBondContact O-N 3.28Å; K444-M447 VanDerWaalsContact O-N 3.14Å; N445-M447 PolarHBondContact O-N 2.84Å
448Q58.1Low62.6Low135 Ų135131.7 Ų131.763%0.63168%0.681SS**Hα-helixtrans-1030.1-168.6-66.8-1695.300115.8K444 N450K444-Q448 PolarHBondContact O-N 3.03Å; Q448-N450 PolarHBondContact O-N 3.49Å
449R51.8Low60.5Low226 Ų226131.4 Ų131.485%0.85369%0.689SS**  trans-87.288.8173.6-66.1-160.974.1172.72.2111.5G451R449-G451 PolarHBondContact O-N 3.01Å
450N49.6Very low58.2Low167 Ų167133.1 Ų133.189%0.89370%0.7SS**  trans-52.4117.7169.2-68.6-41.2000111.2Q448Q448-N450 PolarHBondContact O-N 3.49Å
451G43.3Very low56.1Low60 Ų60134.8 Ų134.862%0.61971%0.711SS**SBendtrans159113.3179.800000110.5R449 L453R449-G451 PolarHBondContact O-N 3.01Å; G451-L453 PolarHBondContact O-N 3.04Å
452V52.2Low54Low155 Ų155136.8 Ų136.894%0.93972%0.72SS**  trans-68.399.5-174.4-179.70000110.4
453L50.3Low51.9Low152 Ų152139.4 Ų139.480%0.79673%0.726SS**  trans-95.6140.7163.1-70.4172.5000109.2G451 R455G451-L453 PolarHBondContact O-N 3.04Å; L453-R455 PolarHBondContact O-N 3.33Å; L453-R455 VanDerWaalsContact O-N 3.12Å
454P47.3Very low50Low114 Ų114136.9 Ų136.974%0.7472%0.723SS**  trans-63.3118.3174.226.9-32.9000108.9T456P454-T456 PolarHBondContact O-N 2.94Å
455R43.6Very low48.1Very low240 Ų240137.2 Ų137.291%0.90674%0.736SS**  trans-32.398.2179-179.7-174.8-178.8-171.72.2111.9L453 R457L453-R455 PolarHBondContact O-N 3.33Å; L453-R455 VanDerWaalsContact O-N 3.12Å; R455-R457 PolarHBondContact O-N 3.39Å
456T46.6Very low46.4Very low130 Ų130143.9 Ų143.980%0.79876%0.755SS**  trans-57.3115.7167.244.30000106.8P454 G458P454-T456 PolarHBondContact O-N 2.94Å; T456-G458 PolarHBondContact O-N 3.09Å
457R47.2Very low45.3Very low236 Ų236152 Ų15289%0.89177%0.765SS**  trans-59.9106.7-178.3-161.8-179.3-162.5170.33.8106.7R455 V459R455-R457 PolarHBondContact O-N 3.39Å; R457-V459 PolarHBondContact O-N 2.95Å; R457-V459 VanDerWaalsContact O-N 3.14Å
458G42.8Very low43.9Very low59 Ų59149 Ų14961%0.60876%0.76SS**  trans-54.4124.3-179.700000108.4T456 T460T456-G458 PolarHBondContact O-N 3.09Å; G458-T460 VanDerWaalsContact C-N 3.3Å; G458-T460 PolarHBondContact O-N 3.3Å
459V45.2Very low42.8Very low121 Ų121149 Ų14973%0.73377%0.769SS**  trans-67.2102.2164.71780000104.6R457 L461R457-V459 PolarHBondContact O-N 2.95Å; R457-V459 VanDerWaalsContact O-N 3.14Å; V459-L461 HydrophobicContact CG1-CD2 3.85Å; V459-L461 HydrophobicContact CG1-CG 4.13Å; V459-L461 PolarHBondContact O-N 3.26Å
460T39.5Very low41.9Very low100 Ų100142.4 Ų142.461%0.61376%0.763SS**  trans-65.191.2164.7-520000105.9G458 H462G458-T460 VanDerWaalsContact C-N 3.3Å; G458-T460 PolarHBondContact O-N 3.3Å; T460-H462 WeakPolarHBondContact CG2-NE2 3.44Å; T460-H462 PolarHBondContact O-CD2 3.03Å; T460-H462 PolarHBondContact O-N 3.16Å
461L43.7Very low41.1Very low124 Ų124143 Ų14365%0.64976%0.76SS**  trans-64.288.7161.2-68.8178.1000105.7V459 F463V459-L461 HydrophobicContact CG1-CD2 3.85Å; V459-L461 HydrophobicContact CG1-CG 4.13Å; V459-L461 PolarHBondContact O-N 3.26Å; L461-F463 HydrophobicContact CB-CD2 4.23Å; L461-F463 HydrophobicContact CB-CE2 4.09Å; L461-F463 HydrophobicContact CD1-CE2 4.48Å; L461-F463 PolarHBondContact O-N 2.99Å
462H42.5Very low40.6Very low152 Ų152144.5 Ų144.570%0.70477%0.767SS**  trans-6292.6159.7-72.2-90.5000105.7T460 T464T460-H462 WeakPolarHBondContact CG2-NE2 3.44Å; T460-H462 PolarHBondContact O-CD2 3.03Å; T460-H462 PolarHBondContact O-N 3.16Å; H462-T464 PolarHBondContact O-N 3.42Å
463F40.2Very low39.6Very low186 Ų186144.9 Ų144.982%0.81676%0.758SS**  trans-62.282.6157.4-77.4-90.7000106.5L461L461-F463 HydrophobicContact CB-CD2 4.23Å; L461-F463 HydrophobicContact CB-CE2 4.09Å; L461-F463 HydrophobicContact CD1-CE2 4.48Å; L461-F463 PolarHBondContact O-N 2.99Å
464T42.3Very low39.2Very low94 Ų94144.2 Ų144.258%0.57776%0.76SS**  trans-56129.415742.10000106.1H462 W466H462-T464 PolarHBondContact O-N 3.42Å; T464-W466 PolarHBondContact O-N 3.05Å
465P36.8Very low38.6Very low114 Ų114146.5 Ų146.574%0.7476%0.761SS**  trans-54.9111.6170.3-2635.5000108.3
466W33.6Very low38.2Very low229 Ų229143.7 Ų143.787%0.86776%0.758SS**  trans-58.3150.8163.5-81.434.9000107.4T464 S468T464-W466 PolarHBondContact O-N 3.05Å; W466-S468 VanDerWaalsContact C-N 3.3Å; W466-S468 PolarHBondContact O-N 3.21Å
467R35.6Very low37.5Very low236 Ų236141.1 Ų141.189%0.89176%0.757SS**  trans-61.386.1-167.2-71.9-76.8-169.7-112.11.1111.8V469R467-V469 PolarHBondContact O-N 3.46Å; R467-V469 VanDerWaalsContact O-N 3.08Å
468S29.1Very low37.4Very low99 Ų99135.5 Ų135.569%0.69275%0.754SS**  trans-62.3106.7156.154.30000106.5W466 A470W466-S468 VanDerWaalsContact C-N 3.3Å; W466-S468 PolarHBondContact O-N 3.21Å; S468-A470 VanDerWaalsContact C-N 3.26Å; S468-A470 PolarHBondContact O-N 3.29Å
469V35.3Very low37.3Very low136 Ų136141.6 Ų141.682%0.82477%0.766SS**  trans-64.597.5162.7175.80000105.6R467 E471R467-V469 PolarHBondContact O-N 3.46Å; R467-V469 VanDerWaalsContact O-N 3.08Å; V469-E471 PolarHBondContact O-N 3.14Å
470A34.1Very low37.3Very low87 Ų87140.8 Ų140.872%0.71977%0.766SS**  trans-70.6112.8166.700000106.4S468 A472S468-A470 VanDerWaalsContact C-N 3.26Å; S468-A470 PolarHBondContact O-N 3.29Å; A470-A472 PolarHBondContact O-N 2.86Å
471E33Very low37.4Very low178 Ų178144 Ų14483%0.83278%0.779SS**  trans-54.8132.2166.4-72.2-171.3114.200108.8V469 H473V469-E471 PolarHBondContact O-N 3.14Å; E471-H473 PolarHBondContact O-N 3.29Å
472A32.7Very low37.1Very low93 Ų93144.3 Ų144.377%0.76979%0.787SS**  trans-74.976.3171.800000108.8A470 V474A470-A472 PolarHBondContact O-N 2.86Å; A472-V474 PolarHBondContact O-N 3.16Å
473H31Very low36.9Very low162 Ų162143 Ų14375%0.7580%0.795SS**  trans-62.1119.6164.490.4-80.3000107.4E471E471-H473 PolarHBondContact O-N 3.29Å
474V41Very low36.7Very low138 Ų138139.8 Ų139.884%0.83680%0.795SS**  trans-94.8105.9177.6-175.70000106.5A472A472-V474 PolarHBondContact O-N 3.16Å
475E34.2Very low36.7Very low162 Ų162140.2 Ų140.276%0.75780%0.802SS**  trans-137.3156.2167.5-104.5-63.2170.100110
476E35.7Very low37.1Very low182 Ų182140.2 Ų140.285%0.8581%0.805SS**  trans-117.5120.2-150.1-167172.3-170.700111.6
477G32.5Very low37.8Very low76 Ų76138 Ų13878%0.78480%0.804SS**  trans61.1109159.900000118.2
478S44.5Very low38.2Very low117 Ų117132.6 Ų132.682%0.81880%0.798SS**  trans-152.7118.3138.7-1490000112.6
479E40.9Very low39.1Very low187 Ų187132.8 Ų132.887%0.87480%0.799SS**  trans-74.1135.4163.662.8-158124.200109.7
480S44.7Very low39.7Very low104 Ų104133.2 Ų133.273%0.72780%0.797SS**  trans-162.590.1172.3-82.20000111.4T482S480-T482 PolarHBondContact O-N 3.11Å
481D42.2Very low40.7Very low167 Ų167137.2 Ų137.289%0.89381%0.806SS**  trans-68.3116.4164.9-77.1-63.1000110.7
482T36.5Very low42Very low132 Ų132135.9 Ų135.981%0.8181%0.805SS**  trans-132.283.516258.90000111.6S480S480-T482 PolarHBondContact O-N 3.11Å
483S39.4Very low43.1Very low123 Ų123137.6 Ų137.686%0.8680%0.801SS**  trans-72.9130.6152.5-71.90000109.2
484S36.6Very low44Very low119 Ų119136.5 Ų136.583%0.83281%0.81SS**  trans-151.5130.2158.2-132.70000112.8
485S42Very low44.5Very low103 Ų103135.8 Ų135.872%0.7281%0.806SS**  trans-92.5149.8168.7176.50000108.9
486S44.3Very low45.1Very low115 Ų115139.9 Ų139.980%0.80482%0.815SS**  trans-137.795.6167.5-66.90000109.9
487Q48.1Very low45.4Very low182 Ų182140.1 Ų140.185%0.8584%0.836SS**  trans-95.1127.9157.3-74.6-175.7-26.700108.5
488T45.4Very low46Very low122 Ų122143.4 Ų143.475%0.74884%0.839SS**  trans-142.7112.4160.549.50000105.4
489S47.1Very low46.1Very low103 Ų103144.7 Ų144.772%0.7284%0.84SS**  53.493.964.580.30000110.5
490D48.7Very low46.4Very low146 Ų146142.4 Ų142.478%0.78184%0.838SS**  90.2101.274.5-17831000109.7
491D54.6Low46.5Very low170 Ų170144.6 Ų144.691%0.90985%0.845SS**  trans-166.470.5177.9-128.6-18.7000108.6
492D60.1Low46.8Very low151 Ų151143.3 Ų143.381%0.80784%0.842SS**  trans-93.8137.3-179.1-100.9-37.5000113.4
493D54.9Low47.5Very low129 Ų129144 Ų14469%0.6984%0.844SS**  trans52.395.7162.6-105.2-41.4000121.6T495D493-T495 HydrophobicContact CB-CG2 4.43Å; D493-T495 PolarHBondContact O-N 2.93Å
494C50Low48Very low139 Ų139145.5 Ų145.594%0.93984%0.843SS**  trans-71.384154.9-880000112.3
495T52.1Low48.9Very low122 Ų122147.5 Ų147.575%0.74884%0.844SS**  trans-10296.9169.2550000113D493D493-T495 HydrophobicContact CB-CG2 4.43Å; D493-T495 PolarHBondContact O-N 2.93Å
496R47.6Very low49.5Very low249 Ų249151.3 Ų151.394%0.9485%0.854SS**  trans-85.3113.9172.3169.7-162.4175.1-169.30.9110.7
497S40.9Very low50Low187 Ų187154.5 Ų154.5100%1.30886%0.858SS**  trans-161.50144.7-1660000113.1

Retrieved 497 of 497 residues in 500.4 ms (Link to these results)