A0A2K5P466_CERAT Loading...

Pygopus family PHD finger 1

Involved in signal transduction through the Wnt pathway.

AlphaFold DB , UniProt , Accession A0A2K5P466, Species CERAT (Cercocebus atys, Sooty mangabey), Gene PYGO1, Length 419 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.3Very low38.7Very low236 Ų236146.7 Ų146.7100%1.16379%0.786SS**  0111.90-59.3161.673.600106.6
2S41.3Very low38.7Very low107 Ų107148.3 Ų148.375%0.74879%0.793SS**  cis-152.7132-10.4-66.90000105.6
3A39.6Very low38.9Very low75 Ų75150.8 Ų150.862%0.6279%0.792SS**  48.3102.5100.100000112.3
4E41.7Very low38.4Very low180 Ų180154.7 Ų154.784%0.84179%0.791SS**  86.5143.787.7-81.1161.6-165.600111.9
5Q35.8Very low38.3Very low165 Ų165151 Ų15177%0.77178%0.779SS**  cis-160.4164.9-7.8-174.5166.225.500109.7
6E40.3Very low38.1Very low171 Ų171156.3 Ų156.380%0.79979%0.785SS**  trans-47.7172.3164.4-162.3-169133.100114.9
7K36.3Very low37.8Very low178 Ų178151.4 Ų151.477%0.77478%0.784SS**  145.7111.6125.2-165.3154.7-173.6170.90117.5
8D35.2Very low37.5Very low146 Ų146147 Ų14778%0.78178%0.782SS**  trans-59.6156.4147.2-80.6-65.1000110
9P49.6Very low37.9Very low97 Ų97146.7 Ų146.763%0.6378%0.78SS**  -167.7-171.554.444.9-20.6000119.5
10I32.9Very low37.9Very low155 Ų155145.5 Ų145.580%0.79578%0.784SS**  trans60.7131.4137.4-74.2157.3000122.4
11S37.9Very low38Very low104 Ų104142 Ų14273%0.72778%0.782SS**  trans-36.3144.2159.1-39.80000117.8
12L38.9Very low38.5Very low166 Ų166138.3 Ų138.387%0.86977%0.766SS**  trans-156.1155.7135.9-114159.4000114.3
13K40.9Very low38.6Very low180 Ų180140.2 Ų140.278%0.78377%0.768SS**  trans-102.7174.2-167.5178-179.6-178.1177.60110.2
14R32.4Very low38.6Very low206 Ų206140 Ų14078%0.77777%0.773SS**  trans85.4153.8160-128.6-170-60.7158.1-3112.2
15V36.9Very low39Very low99 Ų99139.9 Ų139.960%0.678%0.777SS**  cis-155.9163.418.6-152.90000110.5
16R34.3Very low39Very low235 Ų235136 Ų13689%0.88778%0.782SS**  trans62.8140.1153.3-108.992.1170.81751.2115.4
17G33.1Very low39.1Very low74 Ų74131.5 Ų131.576%0.76378%0.781SS**  cis97.2135.838.800000108.5
18G33.3Very low39.7Very low72 Ų72129.5 Ų129.574%0.74279%0.786SS**  cis142.6115.63.800000110.2
19D43.7Very low40Very low142 Ų142125.4 Ų125.476%0.75978%0.778SS**  trans-159.1128.6176.953.9-68000107.3
20S39Very low39.6Very low121 Ų121127.2 Ų127.285%0.84679%0.787SS**  67.3124.284.7-480000112.3
21G38.7Very low39.9Very low73 Ų73128.2 Ų128.275%0.75379%0.789SS**  cis172.4-144.83.800000110.7
22L46.3Very low40.2Very low158 Ų158131.7 Ų131.783%0.82780%0.798SS**  trans76.279.8177.8-10579.4000118.4
23D43.4Very low39.9Very low148 Ų148127.2 Ų127.279%0.79179%0.792SS**  48.7122105.9-52.6-48.3000121.5
24G40.1Very low40Very low69 Ų69124.6 Ų124.671%0.71180%0.796SS**  trans93.7148.5139.900000116.7
25L49.3Very low40.7Very low178 Ų178120 Ų12093%0.93279%0.793SS**  cis-149.6145.98.9-73.4169.1000111.4
26G37.1Very low40.7Very low84 Ų84122.9 Ų122.987%0.86681%0.805SS**  trans71.2112.813200000120.3
27G43Very low41.5Very low76 Ų76120.9 Ų120.978%0.78480%0.803SS**  trans151136134.700000115.2
28P48.3Very low42.1Very low137 Ų137127.2 Ų127.289%0.8981%0.81SS**  trans-126.6169.9-152.140.3-24.2000115.8
29G40.5Very low42.8Very low59 Ų59133 Ų13361%0.60881%0.814SS**  trans126.5114.4151.800000113.3
30V41.9Very low42.8Very low135 Ų135135.8 Ų135.882%0.81881%0.814SS**  59.5132.687.9-62.70000113.6
31Q39.7Very low43Very low177 Ų177138.2 Ų138.283%0.82781%0.809SS**  cis-154.2164.68-133.4163.218.500112.5
32L42.8Very low43Very low176 Ų176139.4 Ų139.492%0.92181%0.812SS**  trans-43.7144.4168.8-59.4159.6000113.5
33G33Very low42.5Very low73 Ų73139 Ų13975%0.75381%0.811SS**  trans17855.4174.800000118.3
34S42.4Very low42.6Very low124 Ų124137 Ų13787%0.86781%0.805SS**  trans-67.2137.9146.6-70.90000107.5
35P47.7Very low43Very low109 Ų109142.9 Ų142.971%0.70881%0.813SS**  -151152.496.539.2-22000117.4
36D36.9Very low42.4Very low160 Ų160137.8 Ų137.886%0.85680%0.804SS**  trans69.3149.9140.6-93.2-71.2000126.3
37K51.5Low42.8Very low194 Ų194139.6 Ų139.684%0.84380%0.8SS**  trans-94.7129.3-175.6-59.9177.9178.7179.20111.4
38K45.1Very low43Very low207 Ų207141.7 Ų141.790%0.980%0.803SS**  trans-155.4104.2147.1-130.3166-175.1169.60116
39K48.6Very low43.1Very low194 Ų194143.8 Ų143.884%0.84380%0.799SS**  trans-5.6127.4143.6177.6-177.8-172.4173.30116
40R43.7Very low43.8Very low199 Ų199146.1 Ų146.175%0.75180%0.803SS**  167.4104123.8174.3168.3-83.4-157.3-1.1115.7
41K43.1Very low44.4Very low172 Ų172145.8 Ų145.875%0.74880%0.803SS**  trans50.2127.5144.982.2-159.9171.61780122.9
42A39.3Very low44.9Very low98 Ų98145.4 Ų145.481%0.8181%0.806SS**  trans25.4121.1144.900000121.4
43N34Very low45.3Very low149 Ų149141.7 Ų141.780%0.79780%0.795SS**  -169.3155.6100.6-158.29.3000111.6
44T46.7Very low46.3Very low108 Ų108147.9 Ų147.966%0.66380%0.804SS**SBendtrans42.1137.7161.6-2.20000123
45Q48Very low46.9Very low191 Ų191152.6 Ų152.689%0.89381%0.805SS**  trans74.992.6163.4-57.4-171.2-7.100117.4
46G38Very low47.7Very low71 Ų71151.1 Ų151.173%0.73280%0.802SS**  trans-95.5166.9158.200000112
47P44.4Very low49.2Very low122 Ų122148.8 Ų148.879%0.79280%0.795SS**  trans-88.3170.4-156.435.2-38000115.6F49P47-F49 PolarHBondContact O-N 2.79Å
48S46.7Very low50.2Low121 Ų121145 Ų14585%0.84679%0.791SS**  trans-45.6122.9175.1-167.60000113.3
49F50.1Low51.2Low181 Ų181141.1 Ų141.179%0.79479%0.787SS**PPolyproline II helixtrans-70.6153.1160.9-69.3-89.6000110P47P47-F49 PolarHBondContact O-N 2.79Å
50P56.8Low51.8Low108 Ų108136 Ų13670%0.70177%0.769SS**PPolyproline II helixtrans-65.5158.3163.830.6-34.4000110.1L52P50-L52 PolarHBondContact O-N 3.21Å
51P54Low52.8Low127 Ų127132.4 Ų132.483%0.82577%0.771SS**PPolyproline II helixtrans-59134.6-179.424.6-33.7000111.1S53P51-S53 PolarHBondContact O-N 3.35Å
52L49.2Very low53.5Low170 Ų170128.6 Ų128.689%0.8976%0.758SS**PPolyproline II helixtrans-56.5132.5174.2-73.8164.7000109.8P50 E54P50-L52 PolarHBondContact O-N 3.21Å; L52-E54 PolarHBondContact O-N 3.38Å
53S51.2Low54.4Low98 Ų98127.1 Ų127.169%0.68574%0.742SS**PPolyproline II helixtrans-55.4123.9168.7-67.10000110P51 Y55 A56P51-S53 PolarHBondContact O-N 3.35Å; S53-Y55 PolarHBondContact O-N 3.34Å; S53-A56 PolarHBondContact O-N 3.43Å
54E55.5Low55.7Low203 Ų203127.1 Ų127.195%0.94974%0.742SS**THydrogen-bonded Turntrans-65.921.8174.8-156.4-179.614300113.3L52L52-E54 PolarHBondContact O-N 3.38Å
55Y55.4Low56.4Low222 Ų222129.8 Ų129.887%0.87175%0.747SS**THydrogen-bonded Turntrans-14220.7-173.4-130.1-91.6000112.9S53S53-Y55 PolarHBondContact O-N 3.34Å
56A64.3Low56.9Low78 Ų78127 Ų12765%0.64574%0.738SS**PPolyproline II helixtrans-78.1123.3162.900000108.9S53S53-A56 PolarHBondContact O-N 3.43Å
57P67.6Low58.3Low112 Ų112129.6 Ų129.673%0.72774%0.739SS**PPolyproline II helixtrans-60.7148.2172.726.4-33.5000109.9
58P71.9Confident59Low114 Ų114128.4 Ų128.474%0.7474%0.739SS**PPolyproline II helixtrans-58.1142.3-176.523.8-34000111N60P58-N60 PolarHBondContact O-N 3.14Å; P58-N60 VanDerWaalsContact O-N 3.14Å
59P67.5Low59.8Low126 Ų126126 Ų12682%0.81873%0.726SS**PPolyproline II helixtrans-54122.3175.1-24.433.7000110.1P61P59-P61 VanDerWaalsContact O-CD 3.3Å; P59-P61 WeakPolarHBondContact O-CD 3.3Å
60N60.9Low60.5Low87 Ų87121.5 Ų121.547%0.46571%0.711SS.*  trans-69.9115.2-177.4174.15.7000109.6P58 N62 S63P58-N60 PolarHBondContact O-N 3.14Å; P58-N60 VanDerWaalsContact O-N 3.14Å; N60-N62 VanDerWaalsContact CG-OD1 3.26Å; N60-N62 PolarHBondContact ND2-OD1 3.04Å; N60-N62 PolarHBondContact O-N 3.27Å; N60-N62 VanDerWaalsContact O-N 3.08Å; N60-N62 PolarHBondContact OD1-N 2.76Å; N60-N62 PolarHBondContact OD1-OD1 3.3Å; N60-S63 PolarHBondContact O-N 3.21Å; N60-S63 PolarHBondContact O-OG 3.17Å
61P63.8Low61.1Low122 Ų122121.2 Ų121.279%0.79271%0.709SS**THydrogen-bonded Turntrans-70.1-5.2-175.830.1-36.2000113.9P59P59-P61 VanDerWaalsContact O-CD 3.3Å; P59-P61 WeakPolarHBondContact O-CD 3.3Å
62N58.4Low61.2Low92 Ų92124 Ų12449%0.49271%0.708SS.*THydrogen-bonded Turntrans-87.4-4.2176.583.915.1000114.6N60 D64 H65N60-N62 VanDerWaalsContact CG-OD1 3.26Å; N60-N62 PolarHBondContact ND2-OD1 3.04Å; N60-N62 PolarHBondContact O-N 3.27Å; N60-N62 VanDerWaalsContact O-N 3.08Å; N60-N62 PolarHBondContact OD1-N 2.76Å; N60-N62 PolarHBondContact OD1-OD1 3.3Å; N62-D64 PolarHBondContact O-N 3.08Å; N62-H65 PolarHBondContact O-N 3.46Å
63S58.3Low61.6Low68 Ų68121.7 Ų121.748%0.47670%0.697SS.*G310 helixtrans-67.7-20.6-178.6600000114.1N60 H65 L66N60-S63 PolarHBondContact O-N 3.21Å; N60-S63 PolarHBondContact O-OG 3.17Å; S63-H65 PolarHBondContact O-N 3.34Å; S63-L66 WeakPolarHBondContact O-CB 3.4Å; S63-L66 PolarHBondContact O-N 3.18Å
64D61.3Low62.3Low149 Ų149121.9 Ų121.980%0.79769%0.69SS**G310 helixtrans-67.8-6.9174.2-104.2-60.4000114N62N62-D64 PolarHBondContact O-N 3.08Å
65H60.8Low62.4Low163 Ų163117.9 Ų117.976%0.75568%0.675SS**G310 helixtrans-108.24.9171.8-61.2-37.2000113.4N62 S63 V67N62-H65 PolarHBondContact O-N 3.46Å; S63-H65 PolarHBondContact O-N 3.34Å; H65-V67 PolarHBondContact O-N 2.9Å
66L59Low62.4Low133 Ų133117.2 Ų117.270%0.69667%0.673SS**  trans-77.969.1168.7-62177.5000109.8S63 A68S63-L66 WeakPolarHBondContact O-CB 3.4Å; S63-L66 PolarHBondContact O-N 3.18Å; L66-A68 PolarHBondContact O-N 3.19Å
67V67.6Low61.9Low126 Ų126120 Ų12076%0.76468%0.677SS**  trans-60112.2161.1-178.20000106.2H65 A69H65-V67 PolarHBondContact O-N 2.9Å; V67-A69 PolarHBondContact O-N 3.05Å
68A58.7Low60.7Low96 Ų96120.4 Ų120.479%0.79368%0.677SS**  trans-67.382.5166.500000107.7L66 N70L66-A68 PolarHBondContact O-N 3.19Å; A68-N70 VanDerWaalsContact C-N 3.32Å; A68-N70 PolarHBondContact O-N 3.07Å
69A63.9Low59.6Low70 Ų70121.8 Ų121.858%0.57968%0.677SS**  trans-60.5101.2168.400000106.7V67V67-A69 PolarHBondContact O-N 3.05Å
70N64.1Low58.5Low88 Ų88120 Ų12047%0.47167%0.668SS.*  trans-61.4128.1173.1-158.510.7000105.7A68 F72 D73A68-N70 VanDerWaalsContact C-N 3.32Å; A68-N70 PolarHBondContact O-N 3.07Å; N70-F72 PolarHBondContact O-N 3.42Å; N70-D73 HydrophobicContact CB-CB 4.15Å; N70-D73 PolarHBondContact O-N 3.23Å
71P70.2Confident57.7Low102 Ų102125.8 Ų125.866%0.66269%0.685SS**THydrogen-bonded Turntrans-65.17.1-172.923.9-34.2000114.9
72F56.4Low56.6Low185 Ų185128.3 Ų128.381%0.81168%0.683SS**THydrogen-bonded Turntrans-116.6-5.7175-56-78000113.5N70N70-F72 PolarHBondContact O-N 3.42Å
73D56.8Low55.9Low121 Ų121129.6 Ų129.665%0.64770%0.697SS**  trans-94-3.1179.3-98.6-76.2000113.5N70 N75N70-D73 HydrophobicContact CB-CB 4.15Å; N70-D73 PolarHBondContact O-N 3.23Å; D73-N75 PolarHBondContact O-N 2.78Å
74D65.1Low55.2Low103 Ų103134 Ų13455%0.55171%0.714SS**  trans-6877.4167.8-82.7-42.6000110.2Y76D74-Y76 VanDerWaalsContact C-N 3.31Å; D74-Y76 HydrophobicContact CB-CD2 4.22Å; D74-Y76 HydrophobicContact CB-CE2 3.84Å; D74-Y76 VanDerWaalsContact O-CD2 3.24Å; D74-Y76 WeakPolarHBondContact O-CD2 3.27Å; D74-Y76 PolarHBondContact O-N 2.81Å
75N58.1Low54.3Low118 Ų118132.4 Ų132.463%0.63171%0.712SS**  trans-72.985.9174.5-174.51.8000110D73 N77D73-N75 PolarHBondContact O-N 2.78Å; N75-N77 PolarHBondContact O-N 2.82Å; N75-N77 WeakPolarHBondContact OD1-CA 3.24Å; N75-N77 WeakPolarHBondContact OD1-CB 3.36Å; N75-N77 PolarHBondContact OD1-N 2.85Å; N75-N77 VanDerWaalsContact OD1-N 3.08Å
76Y56.6Low53.5Low208 Ų208130.5 Ų130.582%0.81672%0.717SS**  trans-58-9.5173.9-79.8-88.7000114D74 T78D74-Y76 VanDerWaalsContact C-N 3.31Å; D74-Y76 HydrophobicContact CB-CD2 4.22Å; D74-Y76 HydrophobicContact CB-CE2 3.84Å; D74-Y76 VanDerWaalsContact O-CD2 3.24Å; D74-Y76 WeakPolarHBondContact O-CD2 3.27Å; D74-Y76 PolarHBondContact O-N 2.81Å; Y76-T78 PolarHBondContact O-N 2.9Å
77N52.5Low52.6Low138 Ų138129.5 Ų129.574%0.73872%0.721SS**  trans-89.873.4169.9-94.3-49.1000112.2N75N75-N77 PolarHBondContact O-N 2.82Å; N75-N77 WeakPolarHBondContact OD1-CA 3.24Å; N75-N77 WeakPolarHBondContact OD1-CB 3.36Å; N75-N77 PolarHBondContact OD1-N 2.85Å; N75-N77 VanDerWaalsContact OD1-N 3.08Å
78T43.7Very low51Low119 Ų119131 Ų13173%0.7373%0.725SS**  -170.7100.7128.118.80000110.6Y76 S80Y76-T78 PolarHBondContact O-N 2.9Å; T78-S80 PolarHBondContact O-N 3.3Å
79I48.1Very low50.5Low143 Ų143131.8 Ų131.873%0.73372%0.722SS**  trans-69.385.7158.2-60.5166.6000106.5Y81I79-Y81 HydrophobicContact CG2-CD2 3.64Å; I79-Y81 HydrophobicContact CG2-CE2 3.53Å; I79-Y81 PolarHBondContact O-N 2.91Å
80S43.5Very low49.3Very low90 Ų90138.6 Ų138.663%0.62973%0.734SS**  trans-73.380.3178.3-164.10000109.3T78 K82T78-S80 PolarHBondContact O-N 3.3Å; S80-K82 PolarHBondContact O-N 2.76Å
81Y45Very low48.4Very low208 Ų208141.7 Ų141.782%0.81675%0.75SS**  trans-60.987.3159.1-81.9-80.2000108.2I79 P83I79-Y81 HydrophobicContact CG2-CD2 3.64Å; I79-Y81 HydrophobicContact CG2-CE2 3.53Å; I79-Y81 PolarHBondContact O-N 2.91Å; Y81-P83 VanDerWaalsContact O-CD 3.27Å; Y81-P83 WeakPolarHBondContact O-CD 3.5Å
82K41.1Very low46.8Very low174 Ų174140.2 Ų140.276%0.75775%0.752SS**  trans-76.3110.8156.2-77-176.4176.6176.90107S80 L84S80-K82 PolarHBondContact O-N 2.76Å; K82-L84 PolarHBondContact O-N 2.87Å
83P43.2Very low46.7Very low120 Ų120138 Ų13878%0.77976%0.757SS**PPolyproline II helixtrans-69.9117.6169.7-725.4000106.9Y81Y81-P83 VanDerWaalsContact O-CD 3.27Å; Y81-P83 WeakPolarHBondContact O-CD 3.5Å
84L44.7Very low45.6Very low161 Ų161136.1 Ų136.184%0.84377%0.766SS**PPolyproline II helixtrans-66.2136.6164.9-74.9165.5000108.2K82 S86K82-L84 PolarHBondContact O-N 2.87Å; L84-S86 PolarHBondContact O-N 2.75Å
85P41.1Very low44.3Very low115 Ų115142.3 Ų142.375%0.74778%0.783SS**PPolyproline II helixtrans-63.5134.3-178.625.4-33.3000110.8S87P85-S87 PolarHBondContact O-N 2.97Å
86S44.1Very low44.1Very low123 Ų123141.9 Ų141.986%0.8679%0.787SS**PPolyproline II helixtrans-68.4123.7-17744.10000112.5L84L84-S86 PolarHBondContact O-N 2.75Å
87S40.7Very low43.2Very low111 Ų111135.5 Ų135.578%0.77679%0.785SS**  trans-143.264.9169.255.40000112.8P85P85-S87 PolarHBondContact O-N 2.97Å
88N33.6Very low42.4Very low159 Ų159139.3 Ų139.385%0.8580%0.795SS**  trans-159.6122.1140.5-116.1-27.5000111.9
89P49.1Very low42.2Very low112 Ų112136.9 Ų136.973%0.72779%0.794SS**  trans-91.4115.3170.933.3-26.6000109.6
90Y38.6Very low41.6Very low212 Ų212133.7 Ų133.783%0.83180%0.796SS**  trans-166.2131.1141.9-126-118.4000110.1
91L44.1Very low41.5Very low154 Ų154140.5 Ų140.581%0.80681%0.81SS**  trans68.298.6166.1-46177.6000118.7
92G35.8Very low41.1Very low70 Ų70135.5 Ų135.572%0.72281%0.805SS**  trans-100.5-152132.900000108.9
93P55.6Low41Very low140 Ų140132.2 Ų132.291%0.90980%0.8SS**  cis-133.6178.5-23.240.1-24.6000112.6
94G33.5Very low41.1Very low81 Ų81136 Ų13684%0.83581%0.805SS**  trans156.9112.3160.600000119.4
95Y38.1Very low41.1Very low232 Ų232139.4 Ų139.491%0.9181%0.806SS**  trans-69.7-177.5164.6-107.5-135000112.6
96P54Low41.8Very low110 Ų110142.1 Ų142.171%0.71481%0.811SS**  cis-143.7172.6-4038.8-21.3000115.9
97G37.9Very low42.3Very low74 Ų74141 Ų14176%0.76380%0.8SS**  107.2159125.500000122.1
98F35.4Very low42.9Very low217 Ų217141.7 Ų141.795%0.95280%0.802SS**  trans72.6135.3165.3-115.8-97000120.7
99G40Very low43.6Very low69 Ų69141.7 Ų141.771%0.71180%0.797SS**  trans-107.3168.217500000112.8
100G34.3Very low43.7Very low76 Ų76142.8 Ų142.878%0.78480%0.802SS**  trans-168.7137.2177.400000112.3
101Y41Very low44.3Very low232 Ų232137.8 Ų137.891%0.9180%0.795SS**  trans-75140.5176.7-66.3-106.5000111.1
102S37.4Very low44.5Very low104 Ų104136.4 Ų136.473%0.72780%0.795SS**  168.6131.4124.8-80.60000116.6
103T38.8Very low44.9Very low105 Ų105144.8 Ų144.864%0.64481%0.805SS**  trans54113.4137.366.90000122.5
104F44.7Very low44.3Very low199 Ų199146.7 Ų146.787%0.87380%0.804SS**  trans9.1118.7136.3-54.7-81.4000119.5
105R44.8Very low44.5Very low232 Ų232148.6 Ų148.688%0.87580%0.804SS**  trans-141.2103154.6-77.2-66.7-155.3-92.7-0.6109.4
106M56.4Low44.4Very low172 Ų172142.9 Ų142.985%0.84780%0.799SS**  trans-87.7143.3166.5-71.8-69.8-80.900109.8
107P53.8Low44.2Very low99 Ų99143 Ų14364%0.64380%0.8SS**  trans-70.9138.8174.2-17.631.8000112.4
108P54.2Low44Very low126 Ų126150.4 Ų150.482%0.81881%0.806SS**  trans-98.1108.8178.434.2-29.4000112.2
109H47.9Very low44Very low159 Ų159146 Ų14674%0.73680%0.801SS**  trans-16760.1163.153.1-87000114.9
110V52Low43.7Very low136 Ų136145.8 Ų145.882%0.82480%0.799SS**  trans-140.2125.6158-158.60000109.7
111P49.9Very low44.2Very low107 Ų107148.3 Ų148.370%0.69580%0.801SS**PPolyproline II helixtrans-77.6145.7178.930.8-34.4000111.9R113P111-R113 PolarHBondContact O-N 3.08Å
112P49.4Very low43.9Very low124 Ų124146.4 Ų146.481%0.80579%0.793SS**PPolyproline II helixtrans-72118.3176.829.5-33.1000110.4
113R43.9Very low44Very low247 Ų247147.3 Ų147.393%0.93280%0.8SS**PPolyproline II helixtrans-74130.9165.6-77.6-161.3171.9-161.7-0.7109.5P111P111-R113 PolarHBondContact O-N 3.08Å
114M42.7Very low44.1Very low180 Ų180147.8 Ų147.889%0.88780%0.798SS**PPolyproline II helixtrans-74.4148.5-171.1-55.8-153.178.300112.8S116M114-S116 PolarHBondContact O-N 3.19Å
115S38.4Very low43.6Very low120 Ų120149.4 Ų149.484%0.83980%0.798SS**PPolyproline II helixtrans-58.8125.2164.5-37.60000110
116S34.8Very low43.3Very low113 Ų113144.1 Ų144.179%0.7979%0.787SS**PPolyproline II helixtrans-89.8123.2173.7-174.20000110.6M114M114-S116 PolarHBondContact O-N 3.19Å
117P50.9Low42.5Very low113 Ų113143.2 Ų143.273%0.73478%0.781SS**  trans-100.597.7176.535.1-26.4000110.5
118Y32.8Very low42.1Very low228 Ų228144 Ų14489%0.89479%0.786SS**  trans-146.2116.7162.1-121.5-83.5000113.1
119C35.9Very low41.8Very low126 Ų126146 Ų14685%0.85178%0.784SS**  trans-86.2137.8166.1-179.20000108.8
120G33.5Very low41.8Very low64 Ų64144.2 Ų144.266%0.6679%0.787SS**  trans-154.5142.3177.800000111
121P44.6Very low41.6Very low128 Ų128146.8 Ų146.883%0.83179%0.787SS**  trans-98.5144.1-152.936.4-35.9000116.6
122Y35.2Very low41.7Very low192 Ų192147.6 Ų147.675%0.75379%0.792SS**  trans39.1122147.5-109-93.3000121.8L124Y122-L124 HydrophobicContact CE1-CB 4.16Å; Y122-L124 HydrophobicContact CE1-CD1 4.04Å; Y122-L124 HydrophobicContact CE1-CG 4.41Å
123S39.2Very low41.6Very low124 Ų124150.7 Ų150.787%0.86780%0.796SS**  -159.482127-84.40000111.5R125S123-R125 PolarHBondContact O-N 3.16Å
124L40.8Very low41.3Very low114 Ų114146.5 Ų146.560%0.59779%0.792SS**  trans-73.3105168.9-81.1165.2000110.3Y122 N126Y122-L124 HydrophobicContact CE1-CB 4.16Å; Y122-L124 HydrophobicContact CE1-CD1 4.04Å; Y122-L124 HydrophobicContact CE1-CG 4.41Å; L124-N126 PolarHBondContact O-N 3.27Å
125R35.3Very low41.7Very low233 Ų233142.5 Ų142.588%0.87978%0.78SS**  trans-80.362170.8-171.777.7160.8-161.7-7.5110.4S123 Q127S123-R125 PolarHBondContact O-N 3.16Å; R125-Q127 PolarHBondContact O-N 3.33Å
126N38.1Very low41.9Very low121 Ų121145 Ų14565%0.64778%0.783SS**  trans-73.6121.8170.6-76-5.9000109.7L124L124-N126 PolarHBondContact O-N 3.27Å
127Q39.5Very low42.1Very low154 Ų154143.5 Ų143.572%0.7279%0.785SS**  trans-132.6110.8167.4-75.6-66.7-74.900108.1R125R125-Q127 PolarHBondContact O-N 3.33Å
128P44.5Very low41.9Very low116 Ų116147.8 Ų147.875%0.75380%0.798SS**PPolyproline II helixtrans-74.8132.816930.5-31000109.6
129H48.8Very low42.1Very low167 Ų167140.5 Ų140.577%0.77379%0.792SS**PPolyproline II helixtrans-74.3137.3165.4-82.9-1.4000110.2
130P48.2Very low42.4Very low122 Ų122144.4 Ų144.479%0.79280%0.795SS**PPolyproline II helixtrans-81.5124.1174.632-31.6000110.6
131F48Very low42.4Very low189 Ų189148 Ų14883%0.82980%0.799SS**PPolyproline II helixtrans-97145.8159.7-89.1-87.6000109.9
132P51.4Low42.3Very low124 Ų124152.5 Ų152.581%0.80580%0.8SS**PPolyproline II helixtrans-74.6149.6-173.430.2-34.8000113
133Q46.5Very low42.7Very low189 Ų189149.3 Ų149.388%0.88380%0.802SS**PPolyproline II helixtrans-97.5127.4-173.5-176.2177.311.700110.4
134N38.9Very low42.7Very low160 Ų160152.5 Ų152.586%0.85680%0.803SS**  trans-158.2156.1159.5-117.85.1000110.3
135P50.8Low42.4Very low95 Ų95151.2 Ų151.262%0.61781%0.809SS**  -135.7-177.5-129.337.6-16.9000115.5
136L42.2Very low42.7Very low174 Ų174150 Ų15091%0.91181%0.81SS**  trans80.4129.6163.1-52.9163.2000117.6
137G39Very low42.4Very low81 Ų81150.6 Ų150.684%0.83582%0.819SS**  trans137.590.4157.300000115.6
138M46.2Very low42.3Very low202 Ų202153.2 Ų153.2100%0.99583%0.828SS**  trans-74.6146.6167-66.5165.661.100111.1
139G37.3Very low41.8Very low76 Ų76150.9 Ų150.978%0.78483%0.826SS**  trans172.6100.1166.300000115.8
140F41.5Very low41.8Very low207 Ų207149 Ų14991%0.90883%0.828SS**  trans-81.7124.6163.6-87.1-106.9000110.1
141N35.2Very low41.5Very low141 Ų141151.9 Ų151.975%0.75483%0.831SS**  164.7132.4123.9-99.4-83.9000114.4
142R42.9Very low40.9Very low221 Ų221148.6 Ų148.683%0.83482%0.822SS**  trans56.5135.5140.1-132.1166.1-166.5-1301.3120.7
143P42Very low40.1Very low125 Ų125148.9 Ų148.981%0.81282%0.817SS**PPolyproline II helixtrans-71136172.729.9-34.8000111.7
144H39.2Very low39.7Very low192 Ų192144.1 Ų144.189%0.88980%0.804SS**PPolyproline II helixtrans-80.7134.3174.9-88.2-86.1000111.9
145A35.7Very low39.2Very low87 Ų87142.6 Ų142.672%0.71981%0.806SS**PPolyproline II helixtrans-79161.9171.900000112.2
146F40.2Very low38.7Very low206 Ų206148.4 Ų148.490%0.90482%0.822SS**PPolyproline II helixtrans-61.1133.1175.4-60.9-96.2000112.7
147T32.4Very low38.1Very low135 Ų135144 Ų14483%0.82882%0.818SS**  trans-139.3120.6164.3-60.40000110.2
148F37.8Very low37.9Very low208 Ų208147.6 Ų147.691%0.91282%0.818SS**  trans-91.5138.1161.2-84.1-98.5000109.1
149G34.1Very low38.6Very low68 Ų68142.7 Ų142.770%0.70180%0.802SS**  trans169.4127.4171.100000112.1
150P47.6Very low38.3Very low126 Ų126143.4 Ų143.482%0.81880%0.795SS**  trans-83.7155.6-175.834.9-34.9000111.8
151H42.8Very low38Very low184 Ų184143.3 Ų143.385%0.85279%0.79SS**  trans-133.8125.1158.1-132.6-68.3000110.4
152D36.3Very low37.9Very low120 Ų120142.9 Ų142.964%0.64279%0.787SS**  trans-89.1174.2178.455.8-77.8000113
153N34.2Very low37.3Very low130 Ų130138.8 Ų138.870%0.69578%0.782SS**  trans85.489.7164.8-98.6-52.5000121.4
154S38.1Very low36.9Very low88 Ų88136.5 Ų136.562%0.61577%0.774SS**  48.6113.9114.1-44.20000120.8
155S28.5Very low36.7Very low129 Ų129135.2 Ų135.290%0.90277%0.772SS**  trans-150132.1132.2-86.20000111.2
156F38.7Very low36.9Very low216 Ų216136 Ų13695%0.94777%0.773SS**  trans-87.5142.4-178.3-82.3-102.8000111.5
157G31.4Very low36.8Very low81 Ų81135.3 Ų135.384%0.83577%0.772SS**  trans-176.695.8172.500000112.9
158N34.8Very low37.1Very low157 Ų157135.6 Ų135.684%0.8477%0.769SS**  trans-118.3169.1171.2-142.95.9000106.2
159P59.5Low36.9Very low99 Ų99132.6 Ų132.664%0.64377%0.767SS**  cis-140.2179.72.142.8-25.1000116.4
160S32.5Very low36.8Very low91 Ų91135.5 Ų135.564%0.63677%0.767SS**  173.2128.5120.2-82.20000116.1
161Y34.1Very low36.3Very low205 Ų205136.8 Ų136.880%0.80476%0.763SS**  trans52.5121.7144.6-69.1-93.7000120.8
162N32.3Very low36.8Very low132 Ų132133.2 Ų133.271%0.70676%0.757SS**  69.914286.7-113.2-96.1000113.5
163N31.2Very low36.5Very low135 Ų135133.4 Ų133.472%0.72276%0.758SS**  cis-146.1178.513-166.9-70.4000109.9
164A33.3Very low36.8Very low77 Ų77135.4 Ų135.464%0.63676%0.763SS**  trans-76.6174.1174.800000113
165L36.3Very low37Very low165 Ų165136.9 Ų136.986%0.86476%0.76SS**  177.7142.695-157.268.6000111.3
166S38.5Very low37.4Very low103 Ų103138.7 Ų138.772%0.7275%0.752SS**  trans-85.7152.3169-46.10000111
167Q37.4Very low37.1Very low193 Ų193137.9 Ų137.990%0.90274%0.742SS**  trans139.9152.3136.4-66.8-116.915.800115.3
168N39.8Very low37.2Very low141 Ų141141.3 Ų141.375%0.75474%0.737SS**  trans-88.7139.9-173.6171.4-59.9000111.7
169V33.7Very low37.4Very low145 Ų145139.5 Ų139.588%0.87974%0.736SS**  trans-146.6155.8157-1560000110.8
170N32.9Very low36.8Very low128 Ų128140.5 Ų140.568%0.68474%0.743SS**  trans-115.6172.4-167.5177.728.4000113.2
171M36.3Very low36.9Very low153 Ų153140.4 Ų140.475%0.75475%0.748SS**  trans80.3165.5164.1-115.597143.200118.7
172P53Low37Very low110 Ų110139.5 Ų139.571%0.71475%0.751SS**  cis-135.5164.7-24.623.3-0.2000117.3
173N30.1Very low37.2Very low123 Ų123138.8 Ų138.866%0.65875%0.747SS**  trans34.2128.9149.1-99.1-14.4000124.1
174Q39.9Very low37.3Very low172 Ų172140.9 Ų140.980%0.80475%0.75SS**  trans-149.8165.5133.4-82.3-47.2-65.700110.7
175H43.1Very low37.1Very low120 Ų120142.7 Ų142.756%0.55676%0.758SS**  trans-124.1163.9-146.4-51.5-92.2000118.6
176F36Very low37.2Very low167 Ų167143 Ų14373%0.73276%0.755SS**  trans75.8114.1153.1-81.3-73.3000123.5
177R33.3Very low37.2Very low198 Ų198145.6 Ų145.675%0.74776%0.759SS**  173.3106.4113.6-90.4-68.6-161.4-88.51.5108.6
178Q33.1Very low38.4Very low153 Ų153141.7 Ų141.772%0.71575%0.751SS**  71.2110.696.3-74.5-179.41.700116.4
179S38.5Very low39.2Very low119 Ų119139.9 Ų139.983%0.83275%0.746SS**  trans-117.2154.4155.1-60.50000109.6
180P47.5Very low39.2Very low120 Ų120141 Ų14178%0.77974%0.742SS**  trans-112.2128.3139.5-1.723000108.9
181A34.3Very low39.2Very low89 Ų89140.9 Ų140.974%0.73674%0.741SS**  69127.394.100000111.2
182E37.2Very low39Very low187 Ų187138.5 Ų138.587%0.87475%0.746SS**  cis-163.6169.347.6-76.5173.3174.800109.3
183N35Very low38.1Very low117 Ų117138 Ų13863%0.62675%0.745SS**  cis-173.5122.5-24.9-177.9-87.8000108.7
184F33.5Very low38.2Very low179 Ų179141.4 Ų141.479%0.78576%0.757SS**  trans68.6161.5153.5-71.3-142.8000118.1
185S30.4Very low37.9Very low114 Ų114139.2 Ų139.280%0.79776%0.755SS**  cis-151.3-175.59-140.10000114.7
186Q37.1Very low37.3Very low172 Ų172139.5 Ų139.580%0.80477%0.771SS**  trans-111135.5-162.7-91.4175.6-300116.5
187I40.2Very low37.3Very low157 Ų157138.7 Ų138.781%0.80577%0.774SS**  trans63173.715116.2-178.6000120.8
188P61Low38.1Very low112 Ų112135 Ų13573%0.72778%0.776SS**  trans-114.4-147.8-142.748-30.9000111.5
189P56.3Low38.1Very low102 Ų102134.5 Ų134.566%0.66278%0.778SS**  cis-126.6-162.4-16.241.1-22.9000112.5
190Q34.4Very low38.1Very low168 Ų168137.2 Ų137.279%0.78578%0.782SS**  trans160.3145.9132.3-84.5-66.1-10.700114.2
191N32.5Very low37.5Very low127 Ų127135.1 Ų135.168%0.67978%0.775SS**  trans-35.8136.7161.4163.722.3000116.7S193N191-S193 PolarHBondContact OD1-N 2.8Å
192A33.4Very low37.4Very low102 Ų102136.5 Ų136.584%0.84378%0.779SS**  trans-151.3104.3146.100000112
193S32.5Very low37.5Very low101 Ų101134.2 Ų134.271%0.70677%0.773SS**  trans-77.8134.2159.129.10000110.3N191N191-S193 PolarHBondContact OD1-N 2.8Å
194Q33.6Very low37.5Very low193 Ų193138.5 Ų138.590%0.90279%0.787SS**  trans-147.4149.3152.7-81.2-140.513.600112.1
195V33Very low37.7Very low126 Ų126136.3 Ų136.376%0.76479%0.788SS**  trans-113.2147.3-170.4-156.40000108.4
196S31.5Very low38.4Very low127 Ų127137 Ų13789%0.88879%0.79SS**  trans-168.5111.4150.1-84.70000110.7
197N36Very low38.1Very low150 Ų150132 Ų13280%0.80278%0.783SS**  trans-138.7126.7168.8-164.316.7000105.8
198P50.2Low37.6Very low121 Ų121131.2 Ų131.279%0.78678%0.781SS**  trans-82.7135.6-174.130.7-32.6000112.6
199D31.9Very low36.3Very low141 Ų141132.6 Ų132.675%0.75478%0.782SS**  trans-61.5150.7175.4-107.2-76.7000114.5
200L39.4Very low35.2Very low176 Ų176133.3 Ų133.392%0.92179%0.79SS**  trans-146.9104.7134.9-155.780.9000110.6
201A33.8Very low35.1Very low76 Ų76132.5 Ų132.563%0.62879%0.791SS**  trans-87.5150.6176.600000112.5
202S33.4Very low35.1Very low118 Ų118136 Ų13683%0.82580%0.8SS**  trans-156.6135.5136.5-164.20000111.7
203N38.4Very low35Very low140 Ų140138.1 Ų138.175%0.74980%0.803SS**  trans-79.9155-176.2-58-87.1000111.9
204F35.1Very low35Very low207 Ų207138.7 Ų138.791%0.90881%0.807SS**  -166.2130129.7-109.1-72.3000111.7
205V38.3Very low35.5Very low133 Ų133135.4 Ų135.481%0.80680%0.802SS**  trans-142.1130.4176.8166.50000106.6
206P44Very low35.7Very low129 Ų129137.3 Ų137.384%0.83881%0.807SS**  -141.9154.810034.5-18000112.9
207G31.7Very low35.8Very low65 Ų65139.8 Ų139.867%0.6781%0.805SS**  cis131.5103.34.800000111.2
208N29.5Very low35.6Very low142 Ų142137.5 Ų137.576%0.75980%0.801SS**  trans-170.4117.4155.3-131.829000113.1
209N33.1Very low34.7Very low140 Ų140138.3 Ų138.375%0.74980%0.798SS**  trans35.5133.5136-36.5-20.2000119.4
210S34.2Very low35Very low117 Ų117140.7 Ų140.782%0.81881%0.805SS**  -153.5155.955.953.10000115.7
211N32Very low34.6Very low152 Ų152137.9 Ų137.981%0.81380%0.799SS**  trans-81150.9-179.2-61.4-45.4000113.5
212F31.4Very low34.9Very low200 Ų200143.9 Ų143.988%0.87781%0.812SS**  -176.597.2124.6-105-67.7000112.2
213T32.9Very low35.2Very low146 Ų146145.6 Ų145.690%0.89681%0.81SS**  trans-153.1132.615535.20000109.1
214S32.4Very low36Very low114 Ų114144.4 Ų144.480%0.79781%0.81SS**  trans-100.2142.1178.9-59.40000111.3
215P43.9Very low36.7Very low123 Ų123140.3 Ų140.380%0.79980%0.804SS**  trans-90.9157.2171.336.3-32.8000111.7
216L36.7Very low37.1Very low166 Ų166139.8 Ų139.887%0.86980%0.803SS**  trans-135.2122.5164-161.470.5000111.8
217E33Very low37Very low180 Ų180141.3 Ų141.384%0.84181%0.805SS**  trans10.7151.8162.8-110.9162.4108.600124.8
218S31.3Very low37.1Very low102 Ų102145.1 Ų145.171%0.71382%0.815SS**  trans-106.6168.8174.7-59.30000111.9
219N31.6Very low37.3Very low138 Ų138149 Ų14974%0.73883%0.825SS**  trans120.4113.3157.9-72.5-71.3000113.3
220H39.8Very low37.2Very low191 Ų191145.9 Ų145.988%0.88483%0.827SS**  trans-159.1115138.2-80.7-49.7000109.9
221S31.1Very low37.2Very low116 Ų116149.5 Ų149.581%0.81183%0.831SS**  trans-80.8148.7170.2-52.90000110.9
222F38.8Very low37.2Very low202 Ų202147.2 Ų147.289%0.88683%0.833SS**  trans-119.6128171.2-106.3-92.9000111.5
223I39.5Very low37.2Very low154 Ų154147.4 Ų147.479%0.7983%0.834SS**  trans-130.4140.2169.2-66.4179.8000106.4
224P56.2Low37.3Very low116 Ų116145 Ų14575%0.75383%0.829SS**  trans-98.8161.2-161.837.9-36.8000115.2
225P48.4Very low37.8Very low121 Ų121145.1 Ų145.179%0.78683%0.827SS**  trans-111.7169.615734.4-21.6000112.8
226P47.9Very low38.2Very low121 Ų121144.7 Ų144.779%0.78682%0.824SS**  trans-114.8171.4-139.140.4-33.9000117.9
227N41Very low38.6Very low162 Ų162142.6 Ų142.687%0.86682%0.821SS**  trans-69.2139.5166.5-79.7-30.7000112.8
228T33.5Very low38.8Very low144 Ų144144 Ų14488%0.88382%0.824SS**  trans-150.4139.8148.920.60000113
229F34.5Very low38.9Very low223 Ų223148.6 Ų148.698%0.97883%0.834SS**  trans-62.1159.1174.1-105.7-126.7000114.2
230G30.7Very low38.7Very low76 Ų76148.7 Ų148.778%0.78483%0.834SS**  trans163.8112.3154.900000117.2
231Q34.4Very low38.6Very low192 Ų192148.2 Ų148.290%0.89783%0.83SS**  trans-55.8153.4-179.6-53.8-178.523.200117.2
232A31.5Very low39.6Very low105 Ų105147 Ų14787%0.86882%0.82SS**  trans-157.8144132.400000112.5
233K32.8Very low39.4Very low203 Ų203146.3 Ų146.388%0.88382%0.819SS**  trans-86.1150172.6-68.7175.4172.2178.90111.6
234A33.6Very low38.9Very low96 Ų96142.4 Ų142.479%0.79382%0.817SS**  trans-167.8131.4135.700000113.7
235P44.1Very low37.7Very low116 Ų116141.6 Ų141.675%0.75382%0.82SS**  trans-82.3176.3152.638-33.3000109.8
236P50.9Low37Very low115 Ų115142.9 Ų142.975%0.74783%0.826SS**  cis-140.9173.729.640.6-20.1000118
237P45.2Very low36.5Very low122 Ų122146.4 Ų146.479%0.79283%0.829SS**  trans-75.6160.3172.332.2-36.7000113.5
238K38.1Very low35.9Very low208 Ų208146.4 Ų146.490%0.90483%0.829SS**  trans-86140.5177.4-74.4-176177.51790112.8
239Q32.9Very low35.7Very low199 Ų199144.4 Ų144.493%0.9382%0.816SS**  trans-36.8152.4178.3-61.6172.2-64.200118.4
240D28.3Very low35.5Very low140 Ų140139.8 Ų139.875%0.74980%0.802SS**  trans-139.1151.2173.9-140.2-31.6000110.2
241F36.7Very low35.7Very low182 Ų182144 Ų14480%0.79880%0.801SS**  trans63.4166.2167.9-87.2-90.9000119.9
242P52.3Low35.4Very low91 Ų91142.2 Ų142.259%0.59180%0.798SS**  cis-139.4-174.9-0.442.5-24.4000118.6
243Q34.9Very low35.4Very low187 Ų187141.8 Ų141.887%0.87479%0.788SS**  trans77.4143.3151.5-74.7156.333.100120.1
244G29.4Very low35.3Very low71 Ų71137.9 Ų137.973%0.73279%0.786SS**  cis173155.4-7.300000116
245A31.4Very low35Very low100 Ų100138.2 Ų138.283%0.82679%0.789SS**  trans34.5127.1153.900000123.4
246T31.8Very low34.4Very low147 Ų147141.7 Ų141.790%0.90280%0.795SS**  trans-138.6148.6135.949.20000111.6
247K38Very low34.6Very low196 Ų196141.1 Ų141.185%0.85279%0.792SS**  trans-94.3152.7-178.3-60.5170.9176.2176.60111.4
248N29.4Very low34.8Very low162 Ų162141 Ų14187%0.86679%0.79SS**  -153.4173.5125.9-140-19.2000112.6
249T29.3Very low34.5Very low101 Ų101138 Ų13862%0.6278%0.779SS**  trans-140.2165.1-146.4-104.50000112.2
250N28.9Very low34.5Very low127 Ų127136.4 Ų136.468%0.67978%0.777SS**  trans78.8150.6169.4-67.6-22.8000117.8
251Q35.4Very low34.7Very low164 Ų164135.2 Ų135.277%0.76677%0.77SS**  cis-170151-23.1-115.4177.856.700108.1
252N28.8Very low34.5Very low155 Ų155134.3 Ų134.383%0.82977%0.77SS**  153.1160.4129.3-159.714.4000111.9
253S30.2Very low33.7Very low95 Ų95135.8 Ų135.866%0.66477%0.773SS**  trans-126.3159.1-149.4-520000115.5
254S31.8Very low33.5Very low121 Ų121133.7 Ų133.785%0.84677%0.768SS**  trans42.4122.7142.8-56.50000122.7
255A28.1Very low33.9Very low103 Ų103135.8 Ų135.885%0.85177%0.767SS**  -165.7141.912500000113.7
256H30.5Very low33.9Very low189 Ų189137.4 Ų137.488%0.87577%0.766SS**  trans-150.2174.8171.9-98.8-60000107.2
257P55.4Low34Very low104 Ų104137.1 Ų137.168%0.67576%0.759SS**  cis-106.8-117.2-2636-17.4000107.7
258P49.2Very low33.8Very low118 Ų118136.1 Ų136.177%0.76676%0.757SS**  cis-64.7-174.3-21.1-19.935.9000113.5
259H31.3Very low33.8Very low145 Ų145132.8 Ų132.867%0.67175%0.747SS**  cis8499.46.2-162.4-80.8000120.5
260L32.9Very low33.8Very low167 Ų167134.1 Ų134.187%0.87475%0.75SS**  trans-141127.4134.5-84.3-174.7000110.5
261N32.1Very low34.2Very low114 Ų114136.3 Ų136.361%0.6176%0.76SS**  trans-120.9130.9162175.838.5000106.8
262M33.7Very low33.9Very low163 Ų163135.7 Ų135.780%0.80376%0.757SS**  trans-158.4115.7144.777.5178.173.900110.6
263D36.2Very low34.3Very low122 Ų122135.5 Ų135.565%0.65276%0.755SS**  trans-40.2137.7132.836.3-68.4000113.2
264D30.2Very low34.4Very low144 Ų144140.3 Ų140.377%0.7776%0.764SS**  -164.1147.5115.9-137.7-32.5000114.3
265T36.4Very low34.4Very low114 Ų114142 Ų14270%0.69976%0.764SS**  trans-40.6146163.4-35.30000115.3
266V33.3Very low34.7Very low134 Ų134141.8 Ų141.881%0.81275%0.752SS**  -162.8137.4123.3140.20000111
267N32.6Very low34.9Very low142 Ų142139.1 Ų139.176%0.75974%0.744SS**  trans-95.2140-176.8-156.7-22.1000109.8
268Q33.4Very low33.7Very low174 Ų174145 Ų14581%0.81375%0.752SS**  trans-161.382.8155.9-117.4164109.200114.1
269S30.9Very low32.9Very low92 Ų92144.1 Ų144.164%0.64375%0.749SS**  trans35.7118.3131.461.50000121.6
270N28.8Very low32.7Very low130 Ų130145 Ų14570%0.69576%0.759SS**  83.6102121.9-163-3.1000120.3
271I37.3Very low32.6Very low172 Ų172141.5 Ų141.588%0.88275%0.754SS**  -136.8131.6129.8-53.9-178.8000108.4
272E30.1Very low32.4Very low152 Ų152141.6 Ų141.671%0.7176%0.759SS**  trans-79138.9-178.3-85.7-177.3100.700115.6
273L36.6Very low32Very low150 Ų150141.6 Ų141.679%0.78576%0.762SS**  trans30.6114.2131.9-56.6169.5000119.8
274K32.3Very low31.9Very low196 Ų196144.1 Ų144.185%0.85277%0.77SS**  -157.3121.1118.4-144.5152.9-173.2166.80114.6
275N32Very low31.9Very low156 Ų156145 Ų14583%0.83477%0.77SS**  trans-71.5129.8165.6-179.212.2000109.8
276V34.2Very low31.4Very low100 Ų100145.4 Ų145.461%0.60677%0.767SS**  trans-130.3101.3173.8178.60000110.1R278V276-R278 HydrophobicContact CG1-CG 4.17Å; V276-R278 PolarHBondContact O-N 3.19Å
277N34.2Very low31.3Very low132 Ų132142.7 Ų142.771%0.70675%0.754SS**  trans-60127.6159.7174.2-2.1000109.7S279N277-S279 PolarHBondContact OD1-N 2.92Å
278R30.8Very low31.3Very low227 Ų227146.8 Ų146.886%0.85776%0.759SS**  trans-137.595.5159.5-84.2-171.1173.3-168.7-2.4111.2V276V276-R278 HydrophobicContact CG1-CG 4.17Å; V276-R278 PolarHBondContact O-N 3.19Å
279S31.4Very low31.2Very low100 Ų100143.3 Ų143.370%0.69975%0.754SS**  trans-65.1145.3143-51.40000109.6N277N277-S279 PolarHBondContact OD1-N 2.92Å
280N27.2Very low31Very low163 Ų163144 Ų14487%0.87276%0.759SS**  trans-158.5131.1149-118.36000110.7
281A30.8Very low31Very low94 Ų94143.1 Ų143.178%0.77776%0.763SS**  trans-107.5143.2170.900000109.2
282V29.4Very low30.7Very low117 Ų117140.4 Ų140.471%0.70975%0.754SS**  trans-144.8117.6167.4175.30000109.4
283N24.5Very low30.9Very low162 Ų162141.9 Ų141.987%0.86676%0.761SS**  -158.8151122.5-109.9-62.1000110.9
284Q33.4Very low30.6Very low175 Ų175138.6 Ų138.682%0.81876%0.756SS**  trans-99.5155.5-169.3-60.3175.2-8.200111.8
285E30.7Very low30.6Very low164 Ų164136 Ų13677%0.76676%0.757SS**  -161.8145.5106.1-139.2-164.675.500114.5
286N25.6Very low30.5Very low121 Ų121134.4 Ų134.465%0.64775%0.748SS**  trans70.7103.6143.6-112.2-22000125.2
287S31.6Very low30.4Very low77 Ų77135.3 Ų135.354%0.53875%0.749SS.*  77.6116.1120.9-82.30000124.6
288R31.8Very low30.4Very low229 Ų229134.5 Ų134.586%0.86475%0.745SS**  trans71.6146.8137-57.1170-166.7-165.61118.3
289S31.6Very low30.9Very low101 Ų101132 Ų13271%0.70674%0.743SS**  cis-171.2147.4-22.547.30000110.8
290S27.6Very low31.3Very low107 Ų107131 Ų13175%0.74874%0.741SS**  trans54.7111151.461.90000123.5
291S28.4Very low31.6Very low110 Ų110130.8 Ų130.877%0.76974%0.74SS**  66.2155.7115.1-134.20000125.5
292T30.6Very low31.6Very low115 Ų115129 Ų12971%0.70673%0.731SS**  trans72108.7158.144.90000122.8
293E33.5Very low31.9Very low183 Ų183130.5 Ų130.586%0.85574%0.74SS**  48.5128.4119.9-62.9-171.410700124.9
294A30.1Very low32.4Very low82 Ų82131.1 Ų131.168%0.67874%0.738SS**  trans81.8153.6133.800000122.8
295T32.8Very low32.4Very low142 Ų142130.7 Ų130.787%0.87174%0.741SS**  trans69.7148.716655.70000118.6
296N30.2Very low32.9Very low122 Ų122132 Ų13265%0.65275%0.745SS**  cis-171.7147.1-17176.631000110.3
297N32Very low34Very low118 Ų118131.3 Ų131.363%0.63175%0.747SS**  trans63.9157157-85.2-12.6000119.5
298N34Very low34.1Very low116 Ų116139 Ų13962%0.6276%0.763SS**  cis-157.2148.412.3-123.7-21.2000113.5
299H41.8Very low34.6Very low173 Ų173135.4 Ų135.480%0.80176%0.757SS**  trans42.3143.2146.4-82.9-63.5000122.7
300A40.6Very low35.1Very low81 Ų81136.7 Ų136.767%0.66976%0.763SS**  cis-164.2-167.9-1.400000108.4
301N33Very low35.7Very low158 Ų158143.1 Ų143.185%0.84577%0.771SS**  cis-157.6150.40.9-167.419000111.8
302G30.1Very low35.8Very low57 Ų57141.3 Ų141.359%0.58877%0.769SS**  trans77.7134.6148.600000118.8
303T36.2Very low35.9Very low147 Ų147140.7 Ų140.790%0.90278%0.776SS**  cis-146.6172.52.7360000112
304Q35.4Very low36Very low176 Ų176136.1 Ų136.182%0.82277%0.769SS**  trans-79.4146.5-162.4-56.7159.6-33.500115.4
305N32.1Very low36.3Very low165 Ų165139.9 Ų139.988%0.88278%0.778SS**  -167.7165.199.8-113.2-36.9000114.4
306K41.1Very low36.3Very low193 Ų193137.9 Ų137.984%0.83978%0.776SS**  trans-118-173.3-162.4-129.5-169.8-179.5173.70112.2
307P50.2Low36.8Very low106 Ų106138 Ų13869%0.68878%0.784SS**  -122.4-174.1-124.243.5-26.7000114.3
308R32.8Very low36.9Very low237 Ų237138.8 Ų138.889%0.89479%0.794SS**  168.8145.5109.8-134.3171-169.7-115.26113
309Q43Very low37.3Very low154 Ų154138.9 Ų138.972%0.7280%0.799SS**  trans-77.9175.6158-71.4-171.1-2300111.5
310P42.4Very low37.1Very low129 Ų129137.2 Ų137.284%0.83879%0.791SS**  -119.5147.212834.6-29000114.1
311R39.1Very low37.5Very low242 Ų242141.1 Ų141.191%0.91379%0.793SS**  trans-87.3156.1169.8-85.7175.9162.1-175.2-5.7111.2
312G30Very low37.7Very low72 Ų72139.4 Ų139.474%0.74279%0.794SS**  trans-176.9113.3150.900000107.5
313A33.8Very low38.3Very low101 Ų101144.1 Ų144.184%0.83581%0.806SS**  cis104.397.541.400000111.7
314A35.7Very low38.8Very low87 Ų87147 Ų14772%0.71981%0.806SS**  trans72.5135.8145.400000122.7
315D35.9Very low38.9Very low162 Ų162143.9 Ų143.987%0.86680%0.803SS**  trans83.5156.5144.6-62.7-38.2000123.7
316A33.5Very low39.1Very low99 Ų99141 Ų14182%0.81880%0.796SS**  trans84.5109.5176.400000118.4
317C39.8Very low39.3Very low124 Ų124140.1 Ų140.184%0.83880%0.799SS**  trans-86.1133.5166.2177.60000110.5
318T34.9Very low39.3Very low136 Ų136143 Ų14383%0.83480%0.803SS**  trans-148.9131.6158.744.20000111.8
319T42.4Very low40.1Very low117 Ų117137.2 Ų137.272%0.71880%0.797SS**  trans-64.3147.4165.8-510000111.1
320E37.2Very low40.3Very low138 Ų138136.8 Ų136.865%0.64580%0.799SS**  trans169109.9133.9-88.1-76.988.200112.2
321K49.6Very low40.7Very low163 Ų163141.2 Ų141.271%0.70980%0.799SS**  trans-3.7124.9149.639170.3138.879.10119.3
322S36.2Very low41.3Very low122 Ų122137.1 Ų137.185%0.85379%0.79SS**  trans-155.8123.1141.5-1570000113.4
323N42.7Very low42.2Very low157 Ų157137 Ų13784%0.8479%0.788SS**  trans-91.5141.9171.8-70.7-66.7000110.2
324K47.6Very low43.1Very low208 Ų208138 Ų13890%0.90478%0.776SS**  trans-151.9126.9138.654.1-175.3174-174.20111.7
325S36.9Very low44.2Very low110 Ų110137.5 Ų137.577%0.76977%0.767SS**  trans-82.1142.5-169.612.40000112.5
326S35.9Very low45.4Very low104 Ų104136.3 Ų136.373%0.72777%0.771SS**  trans-69.8128.1159.9-68.70000109.5H328S326-H328 PolarHBondContact O-N 3.37Å
327L46.6Very low47.5Very low174 Ų174136 Ų13691%0.91176%0.763SS**  trans-74.388179.2-70.2163.8000110.8
328H49.2Very low49.5Very low166 Ų166135 Ų13577%0.76975%0.749SS**  trans-83.3137159-80.7-92.3000109.7S326 N330S326-H328 PolarHBondContact O-N 3.37Å; H328-N330 PolarHBondContact O-N 3.44Å
329P49.3Very low52Low117 Ų117132.5 Ų132.576%0.7674%0.735SS**  trans-60.7112.7173.2-22.733.8000110.3R331P329-R331 PolarHBondContact O-N 2.96Å
330N48.5Very low54.5Low145 Ų145131.3 Ų131.378%0.77573%0.728SS**  trans-65.394.2174.4-177.59.8000109.4H328 H332H328-N330 PolarHBondContact O-N 3.44Å; N330-H332 PolarHBondContact O-N 3.47Å
331R49.8Very low57.4Low221 Ų221130.3 Ų130.383%0.83472%0.719SS**  trans-84.5106.5158.4-71.3-153.6179.7-76.51.2107.2P329P329-R331 PolarHBondContact O-N 2.96Å
332H51.6Low59.7Low157 Ų157125.9 Ų125.973%0.72771%0.707SS**  trans27.9101.5160.4-66.182.2000115N330 H334N330-H332 PolarHBondContact O-N 3.47Å; H332-H334 VanDerWaalsContact C-N 3.32Å; H332-H334 PolarHBondContact O-CD2 2.97Å; H332-H334 PolarHBondContact O-N 2.92Å
333G48.3Very low62.7Low68 Ų68120.2 Ų120.270%0.70167%0.667SS**  trans-62.395.4166.900000110.4S335G333-S335 PolarHBondContact O-N 3.03Å
334H54.3Low65.3Low124 Ų124114.5 Ų114.557%0.57465%0.645SS**  trans-56.6115.2143.3-60.5-99.5000105.2H332 S336H332-H334 VanDerWaalsContact C-N 3.32Å; H332-H334 PolarHBondContact O-CD2 2.97Å; H332-H334 PolarHBondContact O-N 2.92Å; H334-S336 PolarHBondContact O-N 3.45Å
335S58.4Low67.7Low75 Ų75108.9 Ų108.952%0.52462%0.624SS.*  trans-55.8129.3169.8-65.30000106.4G333 S337 D338G333-S335 PolarHBondContact O-N 3.03Å; S335-S337 WeakPolarHBondContact CB-OG 3.3Å; S335-S337 PolarHBondContact O-N 3.3Å; S335-D338 PolarHBondContact O-N 3.5Å; S335-D338 VanDerWaalsContact O-N 3.11Å
336S60.9Low70.6Confident137 Ų137105.4 Ų105.496%0.95860%0.599SS**THydrogen-bonded Turntrans-69.619.7-174.964.80000114H334H334-S336 PolarHBondContact O-N 3.45Å
337S76.4Confident73.6Confident92 Ų92105.8 Ų105.864%0.64360%0.597SS**THydrogen-bonded Turntrans-97.4-23.7173.751.80000113.1S335S335-S337 WeakPolarHBondContact CB-OG 3.3Å; S335-S337 PolarHBondContact O-N 3.3Å
338D82.3Confident76Confident104 Ų104102.5 Ų102.556%0.55658%0.581SS**SBendtrans-83.6135.9-170.7-64-13.2000110.8S335 V340S335-D338 PolarHBondContact O-N 3.5Å; S335-D338 VanDerWaalsContact O-N 3.11Å; D338-V340 PolarHBondContact O-N 3.24Å
339P88.7Confident78.4Confident84 Ų8498.2 Ų98.255%0.54556%0.561SS.*PPolyproline II helixtrans-72.1117.1-177.728.2-33.5000111.2Y341P339-Y341 HydrophobicContact CB-CE1 4.49Å; P339-Y341 HydrophobicContact CB-CE2 4.07Å; P339-Y341 HydrophobicContact CG-CE2 3.79Å; P339-Y341 WeakPolarHBondContact CG-OH 3.27Å; P339-Y341 VanDerWaalsContact O-CD2 3.28Å; P339-Y341 WeakPolarHBondContact O-CD2 3.5Å; P339-Y341 VanDerWaalsContact O-CE2 3.31Å; P339-Y341 WeakPolarHBondContact O-CE2 3.3Å
340V95.2Very high80.7Confident92 Ų9293.3 Ų93.356%0.55853%0.529SS*.PPolyproline II helixtrans-76.1124.7173174.60000109.9D338 P342 E349D338-V340 PolarHBondContact O-N 3.24Å; V340-P342 WeakPolarHBondContact O-CD 3.47Å; V340-E349 HydrophobicContact CG1-CB 4.31Å; V340-E349 HydrophobicContact CG1-CG 3.9Å
341Y97.1Very high83Confident117 Ų11788.9 Ų88.946%0.45951%0.505SS..  trans-105104.2179.2-65-72.4000111.5P339 V350 W366P339-Y341 HydrophobicContact CB-CE1 4.49Å; P339-Y341 HydrophobicContact CB-CE2 4.07Å; P339-Y341 HydrophobicContact CG-CE2 3.79Å; P339-Y341 WeakPolarHBondContact CG-OH 3.27Å; P339-Y341 VanDerWaalsContact O-CD2 3.28Å; P339-Y341 WeakPolarHBondContact O-CD2 3.5Å; P339-Y341 VanDerWaalsContact O-CE2 3.31Å; P339-Y341 WeakPolarHBondContact O-CE2 3.3Å; Y341-V350 WeakPolarHBondContact O-CB 3.46Å; Y341-V350 PolarHBondContact O-N 3.33Å; Y341-W366 AromaticContact CD1-CD1 3.63Å; Y341-W366 AromaticContact CG-CD1 3.63Å
342P97.8Very high85.1Confident70 Ų7087 Ų8746%0.45551%0.512SS..BIsolated β-bridgetrans-78.1136.3177.530.7-34.2000111.8V340 G344V340-P342 WeakPolarHBondContact O-CD 3.47Å; P342-G344 PolarHBondContact O-N 3.11Å
343C98.5Very high87.2Confident2 Ų285.9 Ų85.91%0.01451%0.511CS..  trans-60.3127.4175.3177.20000111.2I345 C346 T347 N348 V350 W366 H368C343-I345 PolarHBondContact O-N 3.01Å; C343-C346 VanDerWaalsContact CB-SG 3.5Å; C343-T347 VanDerWaalsContact O-CA 3.24Å; C343-T347 WeakPolarHBondContact O-CA 3.49Å; C343-T347 PolarHBondContact O-N 3.32Å; C343-N348 VanDerWaalsContact CB-O 3.28Å; C343-N348 WeakPolarHBondContact CB-O 3.3Å; C343-N348 PolarHBondContact N-O 3.24Å; C343-V350 HydrophobicContact CB-CG2 3.69Å; C343-W366 CarbonylContact C-O 3.57Å; C343-W366 VanDerWaalsContact CA-O 3.32Å; C343-W366 WeakPolarHBondContact CA-O 3.18Å; C343-H368 WeakPolarHBondContact CB-ND1 3.5Å; C343-H368 PolarHBondContact SG-ND1 3.31Å; C343-H368 VanDerWaalsContact SG-ND1 3.39Å
344G97.9Very high89.6Confident37 Ų3786 Ų8638%0.38149%0.493SS..THydrogen-bonded Turntrans-65.2-5.9-17900000115.8P342 W366 F367P342-G344 PolarHBondContact O-N 3.11Å; G344-W366 PolarHBondContact N-O 3.47Å; G344-F367 VanDerWaalsContact CA-CE1 3.42Å
345I98.3Very high91.7Very high91 Ų9183.5 Ų83.547%0.46748%0.484SS..THydrogen-bonded Turntrans-112.7-59176.2-70.5163.9000111.4C343 F367 C371 T372C343-I345 PolarHBondContact O-N 3.01Å; I345-F367 HydrophobicContact CB-CD1 4.4Å; I345-F367 HydrophobicContact CD1-CD1 3.72Å; I345-F367 HydrophobicContact CD1-CE1 4.18Å; I345-F367 HydrophobicContact CG1-CD1 3.7Å; I345-F367 HydrophobicContact CG1-CE1 3.85Å; I345-C371 HydrophobicContact CB-CB 3.99Å; I345-C371 HydrophobicContact CD1-CB 4.19Å; I345-C371 VanDerWaalsContact CD1-O 3.26Å; I345-C371 WeakPolarHBondContact CD1-O 3.38Å; I345-C371 HydrophobicContact CG2-CB 3.97Å; I345-T372 HydrophobicContact CD1-CG2 4.22Å
346C98.4Very high93.6Very high36 Ų3680.6 Ų80.624%0.24347%0.465CS..THydrogen-bonded Turntrans-90.2-5.1-17475.20000114.1C343 N348 H368C343-C346 VanDerWaalsContact CB-SG 3.5Å; C346-N348 PolarHBondContact O-N 2.99Å; C346-N348 PolarHBondContact SG-ND2 3.11Å; C346-H368 PolarHBondContact SG-ND1 2.86Å; C346-H368 VanDerWaalsContact SG-ND1 3.41Å
347T98Very high95.3Very high112 Ų11274.8 Ų74.869%0.68742%0.423SS*.  trans61.9-10.1-177.768.90000116.8C343C343-T347 VanDerWaalsContact O-CA 3.24Å; C343-T347 WeakPolarHBondContact O-CA 3.49Å; C343-T347 PolarHBondContact O-N 3.32Å
348N98.1Very high96.4Very high105 Ų10572.4 Ų72.456%0.56140%0.402SS*.SBendtrans-66.4155.4171.6-57.1-48.7000111.2C343 C346C343-N348 VanDerWaalsContact CB-O 3.28Å; C343-N348 WeakPolarHBondContact CB-O 3.3Å; C343-N348 PolarHBondContact N-O 3.24Å; C346-N348 PolarHBondContact O-N 2.99Å; C346-N348 PolarHBondContact SG-ND2 3.11Å
349E97.6Very high97.1Very high76 Ų7667.4 Ų67.436%0.35538%0.376SS..BIsolated β-bridgetrans-57140.9173.5-176167.6-15500112.4V340 N351 H368V340-E349 HydrophobicContact CG1-CB 4.31Å; V340-E349 HydrophobicContact CG1-CG 3.9Å; E349-N351 WeakPolarHBondContact CG-OD1 3.26Å; E349-H368 PolarHBondContact O-CE1 2.9Å; E349-H368 VanDerWaalsContact O-CE1 3.27Å; E349-H368 PolarHBondContact O-NE2 3.02Å; E349-H368 VanDerWaalsContact O-NE2 3.12Å
350V98.2Very high97.5Very high14 Ų1466.4 Ų66.49%0.08536%0.364CS..  trans-104.2118.7171.1-179.90000107.4Y341 C343 A356 W366Y341-V350 WeakPolarHBondContact O-CB 3.46Å; Y341-V350 PolarHBondContact O-N 3.33Å; C343-V350 HydrophobicContact CB-CG2 3.69Å; V350-A356 HydrophobicContact CG1-CB 3.32Å; V350-W366 HydrophobicContact CB-CB 4.25Å; V350-W366 HydrophobicContact CG1-CB 4.26Å; V350-W366 HydrophobicContact CG2-CB 4.07Å
351N96.6Very high97.3Very high52 Ų5263.5 Ų63.528%0.27835%0.349SS..  trans-101.7159.5177.9-65.6-19.9000111.6E349 D353 Q354E349-N351 WeakPolarHBondContact CG-OD1 3.26Å; N351-D353 WeakPolarHBondContact CB-OD1 3.25Å; N351-D353 PolarHBondContact ND2-OD1 2.93Å; N351-D353 PolarHBondContact O-N 3.16Å; N351-Q354 HydrophobicContact CB-CG 4.24Å; N351-Q354 VanDerWaalsContact N-OE1 3.14Å; N351-Q354 WeakPolarHBondContact O-CB 3.25Å; N351-Q354 PolarHBondContact O-N 3.33Å; N351-Q354 VanDerWaalsContact O-N 3.13Å
352D94.5Very high97.2Very high182 Ų18261.2 Ų61.297%0.97335%0.351SS*.THydrogen-bonded Turntrans-62.5-18.7175.1-63.3-27.2000114.2Q354D352-Q354 VanDerWaalsContact C-N 3.3Å
353D96.7Very high97.1Very high133 Ų13360 Ų6071%0.71134%0.344SS*.THydrogen-bonded Turntrans-86.64.2177.374-43.8000113.9N351N351-D353 WeakPolarHBondContact CB-OD1 3.25Å; N351-D353 PolarHBondContact ND2-OD1 2.93Å; N351-D353 PolarHBondContact O-N 3.16Å
354Q97.4Very high97Very high70 Ų7065.2 Ų65.233%0.32737%0.368SS..SBendtrans-115.5140.5-175.3-62.2172.6-16.400111.6N351 D352 A356 H368N351-Q354 HydrophobicContact CB-CG 4.24Å; N351-Q354 VanDerWaalsContact N-OE1 3.14Å; N351-Q354 WeakPolarHBondContact O-CB 3.25Å; N351-Q354 PolarHBondContact O-N 3.33Å; N351-Q354 VanDerWaalsContact O-N 3.13Å; D352-Q354 VanDerWaalsContact C-N 3.3Å; Q354-A356 PolarHBondContact O-N 2.89Å; Q354-H368 PolarHBondContact OE1-CD2 3.49Å; Q354-H368 VanDerWaalsContact OE1-CD2 3.23Å; Q354-H368 PolarHBondContact OE1-NE2 3.49Å
355D98.3Very high97Very high73 Ų7368.6 Ų68.639%0.3937%0.372SS..  trans-57.2109.5169.2-72.2-18.1000109.7H368 R369 Y379D355-H368 CarbonylContact O-C 3.55Å; D355-H368 WeakPolarHBondContact O-CA 3.45Å; D355-R369 HydrophobicContact CB-CB 3.63Å; D355-R369 HydrophobicContact CB-CG 4.46Å; D355-R369 PolarHBondContact O-N 3.37Å; D355-R369 IonicContact OD2-CZ 3.62Å; D355-R369 IonicContact OD2-NE 3.93Å; D355-R369 PolarHBondContact OD2-NE 3.28Å; D355-R369 IonicContact OD2-NH2 2.8Å; D355-R369 PolarHBondContact OD2-NH2 2.6Å; D355-Y379 HydrophobicContact CB-CD1 4.32Å; D355-Y379 HydrophobicContact CB-CE1 3.86Å; D355-Y379 WeakPolarHBondContact OD1-CE1 3.28Å
356A98.2Very high97Very high13 Ų1368.3 Ų68.311%0.10737%0.365CS..EExtended strand (participates in β ladder)trans-144.5150.1-174.800000112.4V350 Q354 W366 F367 Y379V350-A356 HydrophobicContact CG1-CB 3.32Å; Q354-A356 PolarHBondContact O-N 2.89Å; A356-W366 HydrophobicContact CB-CE3 4.14Å; A356-F367 CarbonylContact C-O 3.59Å; A356-F367 VanDerWaalsContact CA-O 3.26Å; A356-F367 WeakPolarHBondContact CA-O 3.48Å; A356-Y379 PolarHBondContact N-OH 3.2Å; A356-Y379 WeakPolarHBondContact O-CE2 3.47Å; A356-Y379 PolarHBondContact O-OH 3.33Å; A356-Y379 VanDerWaalsContact O-OH 3.13Å
357I98.2Very high97Very high15 Ų1567 Ų678%0.07736%0.355CS..EExtended strand (participates in β ladder)trans-136.7144.4-178.3-165.5158.6000111.3W366 F367 T372 M374 Y379 L382 W390I357-W366 CarbonylContact O-C 3.6Å; I357-F367 PolarHBondContact N-O 2.82Å; I357-F367 PolarHBondContact O-N 3.05Å; I357-T372 HydrophobicContact CG2-CG2 4.42Å; I357-M374 HydrophobicContact CB-CE 4.35Å; I357-M374 HydrophobicContact CD1-CE 3.81Å; I357-M374 HydrophobicContact CG2-CE 3.94Å; I357-Y379 HydrophobicContact CB-CE2 4.36Å; I357-L382 HydrophobicContact CD1-CD2 3.7Å; I357-L382 HydrophobicContact CD1-CG 4.14Å; I357-W390 HydrophobicContact CB-CE3 4.38Å; I357-W390 HydrophobicContact CD1-CB 3.46Å; I357-W390 VanDerWaalsContact CD1-CB 3.46Å; I357-W390 HydrophobicContact CD1-CD2 4.1Å; I357-W390 HydrophobicContact CD1-CG 3.58Å; I357-W390 HydrophobicContact CG1-CB 3.84Å; I357-W390 HydrophobicContact CG1-CD2 4.07Å; I357-W390 HydrophobicContact CG1-CE3 4.03Å; I357-W390 HydrophobicContact CG1-CG 3.98Å; I357-W390 HydrophobicContact CG2-CD2 3.8Å; I357-W390 HydrophobicContact CG2-CE3 3.68Å; I357-W390 HydrophobicContact CG2-CG 4.43Å; I357-W390 HydrophobicContact CG2-CH2 4.2Å; I357-W390 HydrophobicContact CG2-CZ2 4.32Å; I357-W390 HydrophobicContact CG2-CZ3 3.88Å
358L98.1Very high97Very high42 Ų4262.6 Ų62.622%0.2233%0.326CS..EExtended strand (participates in β ladder)trans-95.9129.8-178.5179.461.8000110E360 W366L358-E360 HydrophobicContact CD2-CG 4.48Å; L358-E360 HydrophobicContact CG-CG 4.42Å; L358-E360 PolarHBondContact O-N 3.18Å; L358-W366 HydrophobicContact CB-CD2 4.14Å; L358-W366 HydrophobicContact CB-CE3 4Å; L358-W366 HydrophobicContact CB-CH2 4.03Å; L358-W366 HydrophobicContact CB-CZ2 4.15Å; L358-W366 HydrophobicContact CB-CZ3 3.95Å; L358-W366 HydrophobicContact CD1-CD2 4.23Å; L358-W366 HydrophobicContact CD1-CG 4.32Å; L358-W366 HydrophobicContact CD2-CZ2 4.31Å
359C97.6Very high97.1Very high0 Ų058.8 Ų58.80%030%0.304CS..  trans-75.290171.5179.10000110.2A361 C363 Q364 K365 F367 W390 C392C359-A361 VanDerWaalsContact C-N 3.28Å; C359-C363 VanDerWaalsContact SG-SG 3.62Å; C359-Q364 WeakPolarHBondContact O-CA 3.47Å; C359-Q364 PolarHBondContact O-N 3.35Å; C359-K365 PolarHBondContact N-O 3.02Å; C359-F367 HydrophobicContact CB-CD2 4.35Å; C359-F367 HydrophobicContact CB-CE2 3.66Å; C359-W390 HydrophobicContact CB-CE3 4.08Å; C359-W390 HydrophobicContact CB-CZ3 3.74Å; C359-C392 HydrophobicContact CB-CB 4.19Å; C359-C392 PolarHBondContact SG-N 2.84Å
360E96.5Very high97.1Very high63 Ų6361.4 Ų61.429%0.29432%0.319SS..THydrogen-bonded Turntrans-78-12.9176.5-59.4-1679900113.7L358 S362 V389 W390 R405L358-E360 HydrophobicContact CD2-CG 4.48Å; L358-E360 HydrophobicContact CG-CG 4.42Å; L358-E360 PolarHBondContact O-N 3.18Å; E360-S362 VanDerWaalsContact C-N 3.33Å; E360-S362 PolarHBondContact O-N 3.13Å; E360-V389 WeakPolarHBondContact OE2-CB 2.98Å; E360-V389 WeakPolarHBondContact OE2-CG1 3.49Å; E360-W390 PolarHBondContact N-O 3.27Å; E360-R405 VanDerWaalsContact CB-NH1 3.27Å; E360-R405 VanDerWaalsContact CD-NH1 3.26Å; E360-R405 IonicContact OE1-CZ 2.78Å; E360-R405 IonicContact OE1-NH1 3.54Å; E360-R405 PolarHBondContact OE1-NH1 2.85Å; E360-R405 IonicContact OE1-NH2 3.39Å; E360-R405 PolarHBondContact OE1-NH2 3.25Å; E360-R405 IonicContact OE2-CZ 3.55Å; E360-R405 IonicContact OE2-NH1 3.38Å; E360-R405 PolarHBondContact OE2-NH1 3.23Å; E360-R405 IonicContact OE2-NH2 2.76Å
361A92.4Very high97.1Very high30 Ų3062.5 Ų62.525%0.24833%0.327CS..THydrogen-bonded Turntrans-59.7-43.1178.600000112C359 W390 C395 V401C359-A361 VanDerWaalsContact C-N 3.28Å; A361-W390 PolarHBondContact N-O 3.3Å; A361-C395 HydrophobicContact CB-CB 4.38Å; A361-V401 HydrophobicContact CB-CG1 3.86Å; A361-V401 WeakPolarHBondContact O-CG1 3.37Å
362S93.8Very high97.2Very high70 Ų7061.5 Ų61.549%0.4932%0.323SS..THydrogen-bonded Turntrans-158.9-58.11761710000114E360 Q364E360-S362 VanDerWaalsContact C-N 3.33Å; E360-S362 PolarHBondContact O-N 3.13Å; S362-Q364 VanDerWaalsContact C-N 3.3Å; S362-Q364 PolarHBondContact O-N 3.38Å
363C95.4Very high97.4Very high45 Ų4556 Ų5630%0.30431%0.309SS..THydrogen-bonded Turntrans-76.3-8.6-16268.40000116.1C359 K365 C392 C395C359-C363 VanDerWaalsContact SG-SG 3.62Å; C363-K365 HydrophobicContact CB-CD 4.44Å; C363-K365 HydrophobicContact CB-CG 4.44Å; C363-K365 PolarHBondContact O-N 2.78Å; C363-K365 VanDerWaalsContact O-N 3.07Å; C363-C392 VanDerWaalsContact SG-SG 3.69Å; C363-C395 VanDerWaalsContact CB-SG 3.59Å
364Q97.1Very high97.4Very high111 Ų11150.8 Ų50.852%0.51928%0.281SS..  trans51.534.1177.1-62.5-66.4-19.600113.4C359 S362C359-Q364 WeakPolarHBondContact O-CA 3.47Å; C359-Q364 PolarHBondContact O-N 3.35Å; S362-Q364 VanDerWaalsContact C-N 3.3Å; S362-Q364 PolarHBondContact O-N 3.38Å
365K97.8Very high97.5Very high107 Ų10751.5 Ų51.547%0.46529%0.29SS..  trans-97.1143.8174.2-71.3175.6-179.6-66.30110.3C359 C363 F367C359-K365 PolarHBondContact N-O 3.02Å; C363-K365 HydrophobicContact CB-CD 4.44Å; C363-K365 HydrophobicContact CB-CG 4.44Å; C363-K365 PolarHBondContact O-N 2.78Å; C363-K365 VanDerWaalsContact O-N 3.07Å; K365-F367 HydrophobicContact CB-CD2 4.37Å; K365-F367 HydrophobicContact CB-CE2 3.58Å; K365-F367 HydrophobicContact CB-CZ 3.95Å; K365-F367 WeakPolarHBondContact O-CD2 3.39Å; K365-F367 WeakPolarHBondContact O-CE2 3.46Å
366W98.4Very high97.5Very high86 Ų8654.3 Ų54.333%0.32630%0.301SS..EExtended strand (participates in β ladder)trans-80.7150.3168.5-73.8100.5000111.2Y341 C343 G344 V350 A356 I357 L358Y341-W366 AromaticContact CD1-CD1 3.63Å; Y341-W366 AromaticContact CG-CD1 3.63Å; C343-W366 CarbonylContact C-O 3.57Å; C343-W366 VanDerWaalsContact CA-O 3.32Å; C343-W366 WeakPolarHBondContact CA-O 3.18Å; G344-W366 PolarHBondContact N-O 3.47Å; V350-W366 HydrophobicContact CB-CB 4.25Å; V350-W366 HydrophobicContact CG1-CB 4.26Å; V350-W366 HydrophobicContact CG2-CB 4.07Å; A356-W366 HydrophobicContact CB-CE3 4.14Å; I357-W366 CarbonylContact O-C 3.6Å; L358-W366 HydrophobicContact CB-CD2 4.14Å; L358-W366 HydrophobicContact CB-CE3 4Å; L358-W366 HydrophobicContact CB-CH2 4.03Å; L358-W366 HydrophobicContact CB-CZ2 4.15Å; L358-W366 HydrophobicContact CB-CZ3 3.95Å; L358-W366 HydrophobicContact CD1-CD2 4.23Å; L358-W366 HydrophobicContact CD1-CG 4.32Å; L358-W366 HydrophobicContact CD2-CZ2 4.31Å
367F98.6Very high97.5Very high9 Ų958.7 Ų58.74%0.03933%0.327CS..EExtended strand (participates in β ladder)trans-143.7133.1178.1-60.7-104.3000109.7G344 I345 A356 I357 C359 K365 T372 W390 C392G344-F367 VanDerWaalsContact CA-CE1 3.42Å; I345-F367 HydrophobicContact CB-CD1 4.4Å; I345-F367 HydrophobicContact CD1-CD1 3.72Å; I345-F367 HydrophobicContact CD1-CE1 4.18Å; I345-F367 HydrophobicContact CG1-CD1 3.7Å; I345-F367 HydrophobicContact CG1-CE1 3.85Å; A356-F367 CarbonylContact C-O 3.59Å; A356-F367 VanDerWaalsContact CA-O 3.26Å; A356-F367 WeakPolarHBondContact CA-O 3.48Å; I357-F367 PolarHBondContact N-O 2.82Å; I357-F367 PolarHBondContact O-N 3.05Å; C359-F367 HydrophobicContact CB-CD2 4.35Å; C359-F367 HydrophobicContact CB-CE2 3.66Å; K365-F367 HydrophobicContact CB-CD2 4.37Å; K365-F367 HydrophobicContact CB-CE2 3.58Å; K365-F367 HydrophobicContact CB-CZ 3.95Å; K365-F367 WeakPolarHBondContact O-CD2 3.39Å; K365-F367 WeakPolarHBondContact O-CE2 3.46Å; F367-T372 HydrophobicContact CB-CG2 3.48Å; F367-T372 VanDerWaalsContact CB-CG2 3.48Å; F367-T372 HydrophobicContact CD1-CG2 4.33Å; F367-T372 HydrophobicContact CG-CG2 4.12Å; F367-W390 HydrophobicContact CB-CH2 4.11Å; F367-W390 HydrophobicContact CB-CZ3 4.33Å; F367-W390 HydrophobicContact CD1-CH2 4.3Å; F367-W390 AromaticContact CD2-CH2 3.66Å; F367-W390 HydrophobicContact CD2-CH2 3.66Å; F367-W390 AromaticContact CD2-CZ3 3.4Å; F367-W390 HydrophobicContact CD2-CZ3 3.4Å; F367-W390 VanDerWaalsContact CD2-CZ3 3.4Å; F367-W390 HydrophobicContact CE2-CH2 4.09Å; F367-W390 AromaticContact CE2-CZ3 3.83Å; F367-W390 HydrophobicContact CE2-CZ3 3.83Å; F367-W390 AromaticContact CG-CH2 3.78Å; F367-W390 HydrophobicContact CG-CH2 3.78Å; F367-W390 AromaticContact CG-CZ3 3.98Å; F367-W390 HydrophobicContact CG-CZ3 3.98Å; F367-C392 HydrophobicContact CE1-CB 4.05Å; F367-C392 HydrophobicContact CE2-CB 3.93Å; F367-C392 HydrophobicContact CZ-CB 3.59Å
368H98.8Very high97.5Very high18 Ų1859.8 Ų59.88%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-62136.7167.8-56106.2000110.1C343 C346 E349 Q354 D355 I370 C371 T372C343-H368 WeakPolarHBondContact CB-ND1 3.5Å; C343-H368 PolarHBondContact SG-ND1 3.31Å; C343-H368 VanDerWaalsContact SG-ND1 3.39Å; C346-H368 PolarHBondContact SG-ND1 2.86Å; C346-H368 VanDerWaalsContact SG-ND1 3.41Å; E349-H368 PolarHBondContact O-CE1 2.9Å; E349-H368 VanDerWaalsContact O-CE1 3.27Å; E349-H368 PolarHBondContact O-NE2 3.02Å; E349-H368 VanDerWaalsContact O-NE2 3.12Å; Q354-H368 PolarHBondContact OE1-CD2 3.49Å; Q354-H368 VanDerWaalsContact OE1-CD2 3.23Å; Q354-H368 PolarHBondContact OE1-NE2 3.49Å; D355-H368 CarbonylContact O-C 3.55Å; D355-H368 WeakPolarHBondContact O-CA 3.45Å; H368-I370 HydrophobicContact CB-CG1 3.98Å; H368-I370 PolarHBondContact O-N 3Å; H368-C371 HydrophobicContact CB-CB 4.2Å; H368-C371 WeakPolarHBondContact O-CA 3.32Å; H368-C371 WeakPolarHBondContact O-CB 3.28Å; H368-C371 PolarHBondContact O-N 3.1Å; H368-T372 PolarHBondContact O-N 3.41Å
369R98.6Very high97.5Very high26 Ų2659.9 Ų59.910%0.09834%0.335CS..THydrogen-bonded Turntrans-52-41.5175.9-179.9-166.963.677.9-11.2112.4D355 C371 T372 G373 M374 E376 Y379D355-R369 HydrophobicContact CB-CB 3.63Å; D355-R369 HydrophobicContact CB-CG 4.46Å; D355-R369 PolarHBondContact O-N 3.37Å; D355-R369 IonicContact OD2-CZ 3.62Å; D355-R369 IonicContact OD2-NE 3.93Å; D355-R369 PolarHBondContact OD2-NE 3.28Å; D355-R369 IonicContact OD2-NH2 2.8Å; D355-R369 PolarHBondContact OD2-NH2 2.6Å; R369-C371 VanDerWaalsContact C-N 3.26Å; R369-C371 PolarHBondContact O-N 3.42Å; R369-T372 PolarHBondContact O-N 3.01Å; R369-T372 PolarHBondContact O-OG1 3.39Å; R369-G373 PolarHBondContact O-N 3.23Å; R369-M374 HydrophobicContact CG-CB 4.15Å; R369-M374 HydrophobicContact CG-CE 4.27Å; R369-M374 VanDerWaalsContact CG-O 3.3Å; R369-M374 WeakPolarHBondContact CG-O 3.42Å; R369-M374 PolarHBondContact NH1-O 2.97Å; R369-M374 PolarHBondContact O-N 2.88Å; R369-E376 IonicContact CZ-OE1 2.89Å; R369-E376 IonicContact NH1-OE1 3.55Å; R369-E376 IonicContact NH2-OE1 3.69Å; R369-E376 PolarHBondContact NH2-OE1 3.13Å; R369-Y379 VanDerWaalsContact CD-CB 3.49Å; R369-Y379 HydrophobicContact CG-CG 4.19Å
370I98.6Very high97.6Very high130 Ų13061.7 Ų61.767%0.66735%0.354SS*.THydrogen-bonded Turntrans-65.7-28.1178.159.4169.5000113H368H368-I370 HydrophobicContact CB-CG1 3.98Å; H368-I370 PolarHBondContact O-N 3Å
371C98.6Very high97.6Very high38 Ų3864.5 Ų64.526%0.25737%0.371SS..THydrogen-bonded Turntrans-80.1-31.1178.1-67.40000112.2I345 H368 R369 G373I345-C371 HydrophobicContact CB-CB 3.99Å; I345-C371 HydrophobicContact CD1-CB 4.19Å; I345-C371 VanDerWaalsContact CD1-O 3.26Å; I345-C371 WeakPolarHBondContact CD1-O 3.38Å; I345-C371 HydrophobicContact CG2-CB 3.97Å; H368-C371 HydrophobicContact CB-CB 4.2Å; H368-C371 WeakPolarHBondContact O-CA 3.32Å; H368-C371 WeakPolarHBondContact O-CB 3.28Å; H368-C371 PolarHBondContact O-N 3.1Å; R369-C371 VanDerWaalsContact C-N 3.26Å; R369-C371 PolarHBondContact O-N 3.42Å; C371-G373 PolarHBondContact O-N 3.5Å
372T98.2Very high97.9Very high31 Ų3165.1 Ų65.119%0.1937%0.37CS..THydrogen-bonded Turntrans-79.6-5.4175.265.40000113.2I345 I357 F367 H368 R369 M374 W390I345-T372 HydrophobicContact CD1-CG2 4.22Å; I357-T372 HydrophobicContact CG2-CG2 4.42Å; F367-T372 HydrophobicContact CB-CG2 3.48Å; F367-T372 VanDerWaalsContact CB-CG2 3.48Å; F367-T372 HydrophobicContact CD1-CG2 4.33Å; F367-T372 HydrophobicContact CG-CG2 4.12Å; H368-T372 PolarHBondContact O-N 3.41Å; R369-T372 PolarHBondContact O-N 3.01Å; R369-T372 PolarHBondContact O-OG1 3.39Å; T372-M374 PolarHBondContact O-N 2.88Å; T372-M374 WeakPolarHBondContact OG1-CB 3.42Å; T372-W390 HydrophobicContact CG2-CH2 3.51Å; T372-W390 HydrophobicContact CG2-CZ2 3.46Å; T372-W390 VanDerWaalsContact CG2-CZ2 3.46Å
373G98.2Very high98.1Very high66 Ų6665.7 Ų65.768%0.6837%0.37SS*.THydrogen-bonded Turntrans718.3-176.400000114.3R369 C371R369-G373 PolarHBondContact O-N 3.23Å; C371-G373 PolarHBondContact O-N 3.5Å
374M97.9Very high98.2Very high23 Ų2367.5 Ų67.511%0.11339%0.389CS..  trans-74.3135.6-177.4-177.2166.851.500111.6I357 R369 T372 A378 Y379 L382I357-M374 HydrophobicContact CB-CE 4.35Å; I357-M374 HydrophobicContact CD1-CE 3.81Å; I357-M374 HydrophobicContact CG2-CE 3.94Å; R369-M374 HydrophobicContact CG-CB 4.15Å; R369-M374 HydrophobicContact CG-CE 4.27Å; R369-M374 VanDerWaalsContact CG-O 3.3Å; R369-M374 WeakPolarHBondContact CG-O 3.42Å; R369-M374 PolarHBondContact NH1-O 2.97Å; R369-M374 PolarHBondContact O-N 2.88Å; T372-M374 PolarHBondContact O-N 2.88Å; T372-M374 WeakPolarHBondContact OG1-CB 3.42Å; M374-A378 HydrophobicContact CG-CB 3.75Å; M374-A378 HydrophobicContact SD-CB 4.31Å; M374-Y379 HydrophobicContact CE-CD2 3.69Å; M374-Y379 HydrophobicContact CE-CG 4.27Å; M374-L382 HydrophobicContact SD-CD2 4.05Å
375T98.5Very high98.2Very high86 Ų8666.9 Ų66.953%0.52839%0.385SS..  trans-70.3155.3176.566.50000111.4T377 A378 Y379T375-T377 VanDerWaalsContact C-N 3.27Å; T375-T377 PolarHBondContact O-N 2.92Å; T375-A378 PolarHBondContact O-N 3.45Å; T375-A378 VanDerWaalsContact OG1-CB 3.3Å; T375-A378 WeakPolarHBondContact OG1-CB 3.26Å; T375-A378 PolarHBondContact OG1-N 2.83Å; T375-Y379 WeakPolarHBondContact O-CB 3.45Å; T375-Y379 PolarHBondContact O-N 3.42Å
376E98.3Very high98.1Very high132 Ų13267 Ų6762%0.61741%0.406SS*.Hα-helixtrans-59.4-39.2177.5-71.6159.3-159.500111.7R369 Y379 G380R369-E376 IonicContact CZ-OE1 2.89Å; R369-E376 IonicContact NH1-OE1 3.55Å; R369-E376 IonicContact NH2-OE1 3.69Å; R369-E376 PolarHBondContact NH2-OE1 3.13Å; E376-Y379 PolarHBondContact O-N 2.89Å; E376-G380 PolarHBondContact O-N 2.98Å
377T98.6Very high97.9Very high105 Ų10567.6 Ų67.664%0.64442%0.424SS*.Hα-helixtrans-64.2-44.3175.1-44.20000112.1T375 G380 L381T375-T377 VanDerWaalsContact C-N 3.27Å; T375-T377 PolarHBondContact O-N 2.92Å; T377-G380 PolarHBondContact O-N 3.25Å; T377-L381 HydrophobicContact CG2-CD1 4.2Å; T377-L381 WeakPolarHBondContact O-CB 3.15Å; T377-L381 VanDerWaalsContact O-CG 3.27Å; T377-L381 WeakPolarHBondContact O-CG 3.15Å; T377-L381 PolarHBondContact O-N 3.01Å
378A98.3Very high97.8Very high38 Ų3869.1 Ų69.131%0.31444%0.438SS..Hα-helixtrans-65.6-41.3177.800000111.5M374 T375 L381 L382M374-A378 HydrophobicContact CG-CB 3.75Å; M374-A378 HydrophobicContact SD-CB 4.31Å; T375-A378 PolarHBondContact O-N 3.45Å; T375-A378 VanDerWaalsContact OG1-CB 3.3Å; T375-A378 WeakPolarHBondContact OG1-CB 3.26Å; T375-A378 PolarHBondContact OG1-N 2.83Å; A378-L381 PolarHBondContact O-N 3.39Å; A378-L382 WeakPolarHBondContact O-CB 3.35Å; A378-L382 PolarHBondContact O-N 2.8Å
379Y98.5Very high97.6Very high43 Ų4372 Ų7217%0.16946%0.457CS..Hα-helixtrans-60.6-48.5174.8177.1-118.3000112.4D355 A356 I357 R369 M374 T375 E376 L381 L382 T383D355-Y379 HydrophobicContact CB-CD1 4.32Å; D355-Y379 HydrophobicContact CB-CE1 3.86Å; D355-Y379 WeakPolarHBondContact OD1-CE1 3.28Å; A356-Y379 PolarHBondContact N-OH 3.2Å; A356-Y379 WeakPolarHBondContact O-CE2 3.47Å; A356-Y379 PolarHBondContact O-OH 3.33Å; A356-Y379 VanDerWaalsContact O-OH 3.13Å; I357-Y379 HydrophobicContact CB-CE2 4.36Å; R369-Y379 VanDerWaalsContact CD-CB 3.49Å; R369-Y379 HydrophobicContact CG-CG 4.19Å; M374-Y379 HydrophobicContact CE-CD2 3.69Å; M374-Y379 HydrophobicContact CE-CG 4.27Å; T375-Y379 WeakPolarHBondContact O-CB 3.45Å; T375-Y379 PolarHBondContact O-N 3.42Å; E376-Y379 PolarHBondContact O-N 2.89Å; Y379-L381 PolarHBondContact O-N 2.76Å; Y379-L382 PolarHBondContact O-N 2.92Å; Y379-T383 HydrophobicContact CD2-CG2 3.82Å; Y379-T383 HydrophobicContact CE2-CG2 3.47Å; Y379-T383 VanDerWaalsContact CE2-CG2 3.47Å; Y379-T383 WeakPolarHBondContact O-CB 3.22Å; Y379-T383 WeakPolarHBondContact O-CG2 3.36Å; Y379-T383 PolarHBondContact O-N 3.04Å; Y379-T383 PolarHBondContact O-OG1 3.03Å
380G98.2Very high97.6Very high38 Ų3872.6 Ų72.639%0.39246%0.459SS..Hα-helixtrans-65.9-36.3179.800000113.6E376 T377 A384E376-G380 PolarHBondContact O-N 2.98Å; T377-G380 PolarHBondContact O-N 3.25Å; G380-A384 VanDerWaalsContact O-CB 3.28Å; G380-A384 WeakPolarHBondContact O-CB 3.32Å; G380-A384 PolarHBondContact O-N 2.96Å
381L98.2Very high97.5Very high123 Ų12367.2 Ų67.264%0.64444%0.435SS*.Hα-helixtrans-67.3-43173.3-71.5170.8000111.7T377 A378 Y379 A384 E385T377-L381 HydrophobicContact CG2-CD1 4.2Å; T377-L381 WeakPolarHBondContact O-CB 3.15Å; T377-L381 VanDerWaalsContact O-CG 3.27Å; T377-L381 WeakPolarHBondContact O-CG 3.15Å; T377-L381 PolarHBondContact O-N 3.01Å; A378-L381 PolarHBondContact O-N 3.39Å; Y379-L381 PolarHBondContact O-N 2.76Å; L381-A384 PolarHBondContact O-N 3.05Å; L381-E385 WeakPolarHBondContact O-CB 3.24Å; L381-E385 PolarHBondContact O-N 3.25Å
382L97.8Very high97.5Very high43 Ų4365.7 Ų65.723%0.22543%0.425CS..Hα-helixtrans-72.2-36.8-176.3-174.652.8000112.7I357 M374 A378 Y379 A384 A388 W390I357-L382 HydrophobicContact CD1-CD2 3.7Å; I357-L382 HydrophobicContact CD1-CG 4.14Å; M374-L382 HydrophobicContact SD-CD2 4.05Å; A378-L382 WeakPolarHBondContact O-CB 3.35Å; A378-L382 PolarHBondContact O-N 2.8Å; Y379-L382 PolarHBondContact O-N 2.92Å; L382-A384 VanDerWaalsContact C-N 3.35Å; L382-A388 HydrophobicContact CD1-CB 3.53Å; L382-W390 HydrophobicContact CD2-CB 3.97Å; L382-W390 HydrophobicContact CD2-CG 4.18Å
383T96.8Very high97.4Very high82 Ų8270.4 Ų70.450%0.50345%0.449SS..Hα-helixtrans-76.8-19.4175.751.70000113.7Y379Y379-T383 HydrophobicContact CD2-CG2 3.82Å; Y379-T383 HydrophobicContact CE2-CG2 3.47Å; Y379-T383 VanDerWaalsContact CE2-CG2 3.47Å; Y379-T383 WeakPolarHBondContact O-CB 3.22Å; Y379-T383 WeakPolarHBondContact O-CG2 3.36Å; Y379-T383 PolarHBondContact O-N 3.04Å; Y379-T383 PolarHBondContact O-OG1 3.03Å
384A97.9Very high97.3Very high83 Ų8372 Ų7269%0.68645%0.445SS*.Hα-helixtrans-83.1-23.8173.200000113.4G380 L381 L382 A386G380-A384 VanDerWaalsContact O-CB 3.28Å; G380-A384 WeakPolarHBondContact O-CB 3.32Å; G380-A384 PolarHBondContact O-N 2.96Å; L381-A384 PolarHBondContact O-N 3.05Å; L382-A384 VanDerWaalsContact C-N 3.35Å; A384-A386 PolarHBondContact O-N 3.4Å
385E97.7Very high97.1Very high97 Ų9771.2 Ų71.245%0.45344%0.443SS..  trans-94.296.8-175.4-179.248.1-105.700111.6L381 S387 A388L381-E385 WeakPolarHBondContact O-CB 3.24Å; L381-E385 PolarHBondContact O-N 3.25Å; E385-S387 VanDerWaalsContact CD-OG 3.31Å; E385-S387 PolarHBondContact O-N 2.91Å; E385-S387 VanDerWaalsContact O-N 3.1Å; E385-S387 WeakPolarHBondContact OE1-CB 3.46Å; E385-S387 PolarHBondContact OE1-N 3.01Å; E385-S387 PolarHBondContact OE1-OG 3.12Å; E385-A388 HydrophobicContact CB-CB 4Å; E385-A388 HydrophobicContact CG-CB 3.63Å; E385-A388 PolarHBondContact O-N 2.8Å
386A94.6Very high96.9Very high109 Ų10972.6 Ų72.690%0.90144%0.444SS*.THydrogen-bonded Turntrans-64.7-13.4-176.400000114.9A384A384-A386 PolarHBondContact O-N 3.4Å
387S95.9Very high96.6Very high100 Ų10069.6 Ų69.670%0.69944%0.442SS*.THydrogen-bonded Turntrans-93.5-9.7173.968.80000114.2E385E385-S387 VanDerWaalsContact CD-OG 3.31Å; E385-S387 PolarHBondContact O-N 2.91Å; E385-S387 VanDerWaalsContact O-N 3.1Å; E385-S387 WeakPolarHBondContact OE1-CB 3.46Å; E385-S387 PolarHBondContact OE1-N 3.01Å; E385-S387 PolarHBondContact OE1-OG 3.12Å
388A95.3Very high95.8Very high40 Ų4069.4 Ų69.433%0.33144%0.437SS..  trans-94.4147.1179.400000111.3L382 E385L382-A388 HydrophobicContact CD1-CB 3.53Å; E385-A388 HydrophobicContact CB-CB 4Å; E385-A388 HydrophobicContact CG-CB 3.63Å; E385-A388 PolarHBondContact O-N 2.8Å
389V96Very high94.1Very high79 Ų7976.8 Ų76.848%0.47946%0.462SS..  trans-132.8145.3-174.9-53.80000109.2E360E360-V389 WeakPolarHBondContact OE2-CB 2.98Å; E360-V389 WeakPolarHBondContact OE2-CG1 3.49Å
390W97.6Very high92.2Very high39 Ų3981.5 Ų81.515%0.14849%0.49CS..  trans-105.9141.2179.3-173.776.2000112.4I357 C359 E360 A361 F367 T372 L382 C392I357-W390 HydrophobicContact CB-CE3 4.38Å; I357-W390 HydrophobicContact CD1-CB 3.46Å; I357-W390 VanDerWaalsContact CD1-CB 3.46Å; I357-W390 HydrophobicContact CD1-CD2 4.1Å; I357-W390 HydrophobicContact CD1-CG 3.58Å; I357-W390 HydrophobicContact CG1-CB 3.84Å; I357-W390 HydrophobicContact CG1-CD2 4.07Å; I357-W390 HydrophobicContact CG1-CE3 4.03Å; I357-W390 HydrophobicContact CG1-CG 3.98Å; I357-W390 HydrophobicContact CG2-CD2 3.8Å; I357-W390 HydrophobicContact CG2-CE3 3.68Å; I357-W390 HydrophobicContact CG2-CG 4.43Å; I357-W390 HydrophobicContact CG2-CH2 4.2Å; I357-W390 HydrophobicContact CG2-CZ2 4.32Å; I357-W390 HydrophobicContact CG2-CZ3 3.88Å; C359-W390 HydrophobicContact CB-CE3 4.08Å; C359-W390 HydrophobicContact CB-CZ3 3.74Å; E360-W390 PolarHBondContact N-O 3.27Å; A361-W390 PolarHBondContact N-O 3.3Å; F367-W390 HydrophobicContact CB-CH2 4.11Å; F367-W390 HydrophobicContact CB-CZ3 4.33Å; F367-W390 HydrophobicContact CD1-CH2 4.3Å; F367-W390 AromaticContact CD2-CH2 3.66Å; F367-W390 HydrophobicContact CD2-CH2 3.66Å; F367-W390 AromaticContact CD2-CZ3 3.4Å; F367-W390 HydrophobicContact CD2-CZ3 3.4Å; F367-W390 VanDerWaalsContact CD2-CZ3 3.4Å; F367-W390 HydrophobicContact CE2-CH2 4.09Å; F367-W390 AromaticContact CE2-CZ3 3.83Å; F367-W390 HydrophobicContact CE2-CZ3 3.83Å; F367-W390 AromaticContact CG-CH2 3.78Å; F367-W390 HydrophobicContact CG-CH2 3.78Å; F367-W390 AromaticContact CG-CZ3 3.98Å; F367-W390 HydrophobicContact CG-CZ3 3.98Å; T372-W390 HydrophobicContact CG2-CH2 3.51Å; T372-W390 HydrophobicContact CG2-CZ2 3.46Å; T372-W390 VanDerWaalsContact CG2-CZ2 3.46Å; L382-W390 HydrophobicContact CD2-CB 3.97Å; L382-W390 HydrophobicContact CD2-CG 4.18Å; W390-C392 HydrophobicContact CH2-CB 3.49Å; W390-C392 VanDerWaalsContact CH2-CB 3.49Å; W390-C392 HydrophobicContact CZ2-CB 4.14Å; W390-C392 HydrophobicContact CZ3-CB 3.95Å
391G96.9Very high90.3Very high16 Ų1681.1 Ų81.117%0.16548%0.48CS..  trans-127.4136.1173.900000110.6
392C97.4Very high88.3Confident6 Ų682.5 Ų82.54%0.04148%0.484CS..  trans-76.5155.4173.670.90000111.7C359 C363 F367 W390 T394 C395 M396C359-C392 HydrophobicContact CB-CB 4.19Å; C359-C392 PolarHBondContact SG-N 2.84Å; C363-C392 VanDerWaalsContact SG-SG 3.69Å; F367-C392 HydrophobicContact CE1-CB 4.05Å; F367-C392 HydrophobicContact CE2-CB 3.93Å; F367-C392 HydrophobicContact CZ-CB 3.59Å; W390-C392 HydrophobicContact CH2-CB 3.49Å; W390-C392 VanDerWaalsContact CH2-CB 3.49Å; W390-C392 HydrophobicContact CZ2-CB 4.14Å; W390-C392 HydrophobicContact CZ3-CB 3.95Å; C392-T394 PolarHBondContact O-N 3.49Å; C392-T394 VanDerWaalsContact O-N 3.11Å; C392-C395 PolarHBondContact O-N 3.13Å; C392-C395 VanDerWaalsContact SG-SG 3.62Å; C392-M396 WeakPolarHBondContact O-CG 3.45Å; C392-M396 PolarHBondContact O-N 3.07Å
393D96.5Very high86.1Confident130 Ų13086.8 Ų86.870%0.69551%0.506SS*.Hα-helixtrans-51.6-39-175.8-57.5-16.4000113.7M396 A397D393-M396 PolarHBondContact O-N 3.19Å; D393-A397 VanDerWaalsContact O-CB 3.3Å; D393-A397 WeakPolarHBondContact O-CB 3.4Å; D393-A397 PolarHBondContact O-N 3.43Å
394T96.1Very high84Confident99 Ų9990.6 Ų90.661%0.60752%0.52SS*.Hα-helixtrans-61.7-51.2177.2-46.20000111.4C392 M396 A397 D398C392-T394 PolarHBondContact O-N 3.49Å; C392-T394 VanDerWaalsContact O-N 3.11Å; T394-M396 PolarHBondContact O-N 3.17Å; T394-A397 PolarHBondContact O-N 3.12Å; T394-D398 PolarHBondContact O-N 3.29Å; T394-D398 VanDerWaalsContact O-N 3.11Å
395C95.1Very high82Confident8 Ų893.5 Ų93.55%0.05451%0.513CS..Hα-helixtrans-67.6-25.2178.6-66.10000112.8A361 C363 C392 V401A361-C395 HydrophobicContact CB-CB 4.38Å; C363-C395 VanDerWaalsContact CB-SG 3.59Å; C392-C395 PolarHBondContact O-N 3.13Å; C392-C395 VanDerWaalsContact SG-SG 3.62Å; C395-V401 HydrophobicContact CB-CG1 4.38Å; C395-V401 HydrophobicContact CB-CG2 4.41Å; C395-V401 VanDerWaalsContact O-CB 3.25Å; C395-V401 WeakPolarHBondContact O-CB 3.35Å; C395-V401 VanDerWaalsContact O-CG2 3.25Å; C395-V401 WeakPolarHBondContact O-CG2 3.28Å
396M93Very high79.6Confident114 Ų11494.7 Ų94.756%0.56253%0.527SS*.Hα-helixtrans-82.7-25.9175.7-65.5-60.3-6600113C392 D393 T394C392-M396 WeakPolarHBondContact O-CG 3.45Å; C392-M396 PolarHBondContact O-N 3.07Å; D393-M396 PolarHBondContact O-N 3.19Å; T394-M396 PolarHBondContact O-N 3.17Å
397A91.5Very high77.3Confident70 Ų7098.9 Ų98.958%0.57952%0.52SS*.Hα-helixtrans-74.9-34.9173.200000112.2D393 T394 K399D393-A397 VanDerWaalsContact O-CB 3.3Å; D393-A397 WeakPolarHBondContact O-CB 3.4Å; D393-A397 PolarHBondContact O-N 3.43Å; T394-A397 PolarHBondContact O-N 3.12Å; A397-K399 PolarHBondContact O-N 3.1Å; A397-K399 VanDerWaalsContact O-N 3.16Å
398D83.2Confident74.7Confident100 Ų100102.7 Ų102.754%0.53553%0.527SS..SBendtrans-75.198.6175.5-68.9-28.8000110.6T394 D400 V401T394-D398 PolarHBondContact O-N 3.29Å; T394-D398 VanDerWaalsContact O-N 3.11Å; D398-D400 PolarHBondContact O-N 3.49Å; D398-V401 HydrophobicContact CB-CG2 4.35Å; D398-V401 WeakPolarHBondContact O-CG2 3.31Å; D398-V401 PolarHBondContact O-N 3.05Å; D398-V401 VanDerWaalsContact O-N 3.16Å
399K61.3Low72.1Confident193 Ų193107 Ų10784%0.83955%0.549SS*.THydrogen-bonded Turntrans-60.8-11.6-166.4-61.9-173.7178.4-1740116.6A397A397-K399 PolarHBondContact O-N 3.1Å; A397-K399 VanDerWaalsContact O-N 3.16Å
400D58.7Low69.5Low142 Ų142110.8 Ų110.876%0.75956%0.559SS**THydrogen-bonded Turntrans-81.4-11.5178-81.4-57.5000114.1D398 Q402D398-D400 PolarHBondContact O-N 3.49Å; D400-Q402 VanDerWaalsContact C-N 3.32Å; D400-Q402 PolarHBondContact O-N 3.34Å
401V58Low66.8Low30 Ų30111.7 Ų111.718%0.18258%0.581CS.*G310 helixtrans-72.7-20.1-172.1174.60000113.9A361 C395 D398 L403A361-V401 HydrophobicContact CB-CG1 3.86Å; A361-V401 WeakPolarHBondContact O-CG1 3.37Å; C395-V401 HydrophobicContact CB-CG1 4.38Å; C395-V401 HydrophobicContact CB-CG2 4.41Å; C395-V401 VanDerWaalsContact O-CB 3.25Å; C395-V401 WeakPolarHBondContact O-CB 3.35Å; C395-V401 VanDerWaalsContact O-CG2 3.25Å; C395-V401 WeakPolarHBondContact O-CG2 3.28Å; D398-V401 HydrophobicContact CB-CG2 4.35Å; D398-V401 WeakPolarHBondContact O-CG2 3.31Å; D398-V401 PolarHBondContact O-N 3.05Å; D398-V401 VanDerWaalsContact O-N 3.16Å; V401-L403 PolarHBondContact O-N 2.91Å; V401-L403 VanDerWaalsContact O-N 3.13Å
402Q56Low64.1Low153 Ų153117.3 Ų117.372%0.71561%0.614SS**G310 helixtrans-68.4-11.8-175.5-67.7-1611.600115.6D400D400-Q402 VanDerWaalsContact C-N 3.32Å; D400-Q402 PolarHBondContact O-N 3.34Å
403L53.1Low61.3Low132 Ų132122.1 Ų122.169%0.69165%0.648SS**G310 helixtrans-103.4-7.3-164-69.7171.6000116.2V401V401-L403 PolarHBondContact O-N 2.91Å; V401-L403 VanDerWaalsContact O-N 3.13Å
404M51.2Low58.7Low163 Ų163120.7 Ų120.780%0.80365%0.654SS**SBendtrans-84.1-25-172.2-74.3-65.2-68.100115.3
405R56.6Low56.2Low143 Ų143122 Ų12254%0.5466%0.662SS.*SBendtrans-98.5-17.2-173-137.2173.3-170.2169.8-0.6115.1E360E360-R405 VanDerWaalsContact CB-NH1 3.27Å; E360-R405 VanDerWaalsContact CD-NH1 3.26Å; E360-R405 IonicContact OE1-CZ 2.78Å; E360-R405 IonicContact OE1-NH1 3.54Å; E360-R405 PolarHBondContact OE1-NH1 2.85Å; E360-R405 IonicContact OE1-NH2 3.39Å; E360-R405 PolarHBondContact OE1-NH2 3.25Å; E360-R405 IonicContact OE2-CZ 3.55Å; E360-R405 IonicContact OE2-NH1 3.38Å; E360-R405 PolarHBondContact OE2-NH1 3.23Å; E360-R405 IonicContact OE2-NH2 2.76Å
406T48.2Very low53.6Low122 Ų122125.4 Ų125.475%0.74870%0.698SS**THydrogen-bonded Turntrans-90.9-0.1-178.1-340000113.4
407R45.5Very low51.2Low198 Ų198124.9 Ų124.975%0.74771%0.705SS**THydrogen-bonded Turntrans-101.818.9-176.3-153.5-172145.9149.2-5.1114.5F410R407-F410 HydrophobicContact CG-CD2 3.97Å; R407-F410 HydrophobicContact CG-CE2 3.94Å
408E40.6Very low48.8Very low180 Ų180129.7 Ų129.784%0.84172%0.721SS**SBendtrans-112.343.9172.4-63.1-159.9145.100113.3
409T41.2Very low46.7Very low131 Ų131133 Ų13380%0.80476%0.763SS**  trans-141.666.9154.4-66.30000109.1
410F41.1Very low46Very low158 Ų158130 Ų13069%0.69376%0.759SS**  trans-123.895.9162.3-69.6-77000107.5R407R407-F410 HydrophobicContact CG-CD2 3.97Å; R407-F410 HydrophobicContact CG-CE2 3.94Å
411G41.6Very low45.3Very low58 Ų58129.4 Ų129.460%0.59876%0.759SS**  trans-56.5155.4162.600000109.7S413G411-S413 PolarHBondContact O-N 3.11Å
412P41Very low44.6Very low133 Ų133134.9 Ų134.986%0.86479%0.791SS**  trans-60.3116-173.624.5-33.9000110.7A414P412-A414 PolarHBondContact O-N 3Å
413S38.8Very low44Very low108 Ų108133.8 Ų133.876%0.75580%0.796SS**  trans-58.5112.9167.8-70.80000108.6G411 V415G411-S413 PolarHBondContact O-N 3.11Å; S413-V415 PolarHBondContact O-N 2.73Å; S413-V415 VanDerWaalsContact O-N 3.12Å
414A40.2Very low43.4Very low99 Ų99133.9 Ų133.982%0.81880%0.802SS**  trans-60116.5173.600000109.1P412 G416P412-A414 PolarHBondContact O-N 3Å; A414-G416 PolarHBondContact O-N 3.48Å
415V44.9Very low42.9Very low128 Ų128132 Ų13278%0.77680%0.802SS**  trans-72.498.2170.8-179.20000107.2S413 S417S413-V415 PolarHBondContact O-N 2.73Å; S413-V415 VanDerWaalsContact O-N 3.12Å; V415-S417 PolarHBondContact O-N 3.27Å; V415-S417 VanDerWaalsContact O-N 3.1Å
416G39.3Very low41.9Very low79 Ų79131.2 Ų131.281%0.81482%0.821SS**  trans-70.696.3166.600000109.2A414A414-G416 PolarHBondContact O-N 3.48Å
417S43.7Very low41.4Very low102 Ų102131.9 Ų131.971%0.71383%0.826SS**  trans-85116.4168-64.70000109.4V415V415-S417 PolarHBondContact O-N 3.27Å; V415-S417 VanDerWaalsContact O-N 3.1Å
418D40.4Very low41Very low171 Ų171126.4 Ų126.491%0.91483%0.833SS**  trans-67.1128171.2-145.6-95.9000110
419A39.9Very low41.1Very low170 Ų170121.5 Ų121.5100%1.40583%0.832SS**  trans-164.20170.800000111.5

Retrieved 419 of 419 residues in 539.2 ms (Link to these results)