A0A087YR34_POEFO Loading...

CCAAT/enhancer-binding protein

Transcription activator that recognizes two different DNA motifs: the CCAAT homology common to many promoters and the enhanced core homology common to many enhancers. Important transcription factor regulating the expression of genes involved in immune and inflammatory responses. Transcriptional activator that enhances IL6 transcription alone and as heterodimer with CEBPB.

AlphaFold DB , UniProt , Accession A0A087YR34, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 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
1M43.3Very low47Very low242 Ų242149.3 Ų149.3100%1.19281%0.812SS**  01230-107.877.7179.800107.5
2C40.9Very low47Very low103 Ų103147.6 Ų147.670%0.69681%0.81SS**  trans-71140.5173.8-50.20000109.8I4C2-I4 HydrophobicContact CB-CD1 4.26Å; C2-I4 HydrophobicContact CB-CG1 4.41Å
3D50.5Low47.1Very low174 Ų174144.2 Ų144.293%0.9380%0.803SS**  trans-119.5103.4148.9-79.1-43.1000108
4I53.1Low47.7Very low125 Ų125142.6 Ų142.664%0.64180%0.802SS**  trans-90.4164.5169.6-77.4163.9000107.1C2C2-I4 HydrophobicContact CB-CD1 4.26Å; C2-I4 HydrophobicContact CB-CG1 4.41Å
5Y50.7Low47.8Very low211 Ų211145.8 Ų145.883%0.82781%0.808SS**  trans10487.1176.1-60-72.1000113.5
6S49.5Very low47.8Very low105 Ų105143.6 Ų143.673%0.73480%0.804SS**  55117.779.9-75.20000114.2
7L43.4Very low48.1Very low161 Ų161142.9 Ų142.984%0.84380%0.799SS**  -169121.7112.5-118.487.4000111.5
8D43Very low48Very low121 Ų121142.8 Ų142.865%0.64779%0.793SS**  trans54.598132.9-135.74.5000119.1
9S44.9Very low48.1Very low125 Ų125140 Ų14087%0.87478%0.784SS**  trans-113.7101.7156-92.80000109
10H47.3Very low48Very low146 Ų146145 Ų14568%0.67679%0.79SS**  trans-27.3131.6171.9-63.5-71.5000115.5V12H10-V12 PolarHBondContact O-N 2.82Å
11C49.9Very low48Very low129 Ų129142.3 Ų142.387%0.87279%0.787SS**  trans-48.6100.1161.4-22.20000110.2
12V47.8Very low48.3Very low129 Ų129139.7 Ų139.778%0.78277%0.774SS**  trans-100.194164.7-178.70000107.4H10H10-V12 PolarHBondContact O-N 2.82Å
13S48.4Very low48.7Very low103 Ų103142 Ų14272%0.7278%0.775SS**PPolyproline II helixtrans-56.7130.6164.7-69.80000109.4Q15S13-Q15 PolarHBondContact O-N 3.2Å
14P54.8Low48.9Very low123 Ų123138.6 Ų138.680%0.79976%0.762SS**PPolyproline II helixtrans-64134.6171.2-1629.1000109.5C16P14-C16 PolarHBondContact O-N 3.48Å
15Q49.9Very low48.4Very low190 Ų190136.9 Ų136.989%0.88877%0.767SS**PPolyproline II helixtrans-54.3122.2174.7-76.3176.8-24.100110.5S13 N17S13-Q15 PolarHBondContact O-N 3.2Å; Q15-N17 VanDerWaalsContact C-N 3.3Å; Q15-N17 PolarHBondContact O-N 2.98Å
16C47.9Very low48.3Very low110 Ų110133.8 Ų133.874%0.74376%0.764SS**  trans-66.885.3168.148.10000110P14 M18P14-C16 PolarHBondContact O-N 3.48Å; C16-M18 PolarHBondContact O-N 3.49Å; C16-M18 VanDerWaalsContact O-N 3.07Å
17N51.8Low48.4Very low133 Ų133137.3 Ų137.371%0.71177%0.767SS**  trans-77.190.8167.4-164.8-2000108.8Q15 S19Q15-N17 VanDerWaalsContact C-N 3.3Å; Q15-N17 PolarHBondContact O-N 2.98Å; N17-S19 PolarHBondContact O-N 3.43Å
18M46Very low48.7Very low141 Ų141139.2 Ų139.270%0.69576%0.764SS**  trans-78.471.1167.7-68.3-66.312100109.1C16 W20C16-M18 PolarHBondContact O-N 3.49Å; C16-M18 VanDerWaalsContact O-N 3.07Å; M18-W20 PolarHBondContact O-N 3.13Å
19S49.8Very low48.4Very low89 Ų89142.2 Ų142.262%0.62278%0.775SS**  trans-72.395.5164.858.30000108.1N17 A21N17-S19 PolarHBondContact O-N 3.43Å; S19-A21 PolarHBondContact O-N 3.33Å
20W46.5Very low48.1Very low240 Ų240140.4 Ų140.491%0.90976%0.762SS**  trans-69.575.9162.2-72.482000108.4M18 M22M18-W20 PolarHBondContact O-N 3.13Å; W20-M22 PolarHBondContact O-N 3.32Å
21A48.1Very low47.8Very low88 Ų88140.8 Ų140.873%0.72777%0.769SS**  trans-69.8109.3162.400000106.9S19 E23S19-A21 PolarHBondContact O-N 3.33Å; A21-E23 PolarHBondContact O-N 2.7Å
22M49.6Very low47.5Very low188 Ų188144.1 Ų144.193%0.92677%0.768SS**  trans-59.6104.1163.4-96.5170.568.700107.3W20 P24W20-M22 PolarHBondContact O-N 3.32Å; M22-P24 WeakPolarHBondContact O-CD 3.47Å
23E50.3Low47.2Very low151 Ų151145.9 Ų145.971%0.70677%0.773SS**  trans-67.8123.7167.3-159.7-144.615400108.1A21 A25A21-E23 PolarHBondContact O-N 2.7Å; E23-A25 PolarHBondContact O-N 2.85Å
24P53.6Low46.6Very low103 Ų103144.8 Ų144.867%0.66978%0.778SS**  trans-68.3120.7169.226.4-29.5000108.4M22 N26M22-P24 WeakPolarHBondContact O-CD 3.47Å; P24-N26 PolarHBondContact O-N 2.92Å
25A43.6Very low45.7Very low89 Ų89142.6 Ų142.674%0.73678%0.777SS**  trans-54.4109.9175.300000110.3E23 F27E23-A25 PolarHBondContact O-N 2.85Å; A25-F27 PolarHBondContact O-N 3.31Å
26N49Very low45.7Very low145 Ų145139.2 Ų139.278%0.77577%0.772SS**  trans-70.377.1170.1-73-54.8000109.5P24P24-N26 PolarHBondContact O-N 2.92Å
27F50.5Low45.2Very low180 Ų180142 Ų14279%0.78977%0.774SS**  trans-102.565.1172.2-159.8-89.5000108.3A25A25-F27 PolarHBondContact O-N 3.31Å
28Y50.8Low44.4Very low200 Ų200144.8 Ų144.878%0.78478%0.783SS**  trans171.894.6152.7-102-74.8000108.5
29E36.7Very low43.9Very low185 Ų185141.9 Ų141.986%0.86479%0.789SS**  trans-131.590.2153.6-152.6167.3-152.400107.8N31E29-N31 PolarHBondContact O-N 3.49Å
30S38.6Very low43.5Very low86 Ų86144.3 Ų144.360%0.60180%0.8SS**  trans-75.8114.6167.2-57.50000107.4K32S30-K32 PolarHBondContact O-N 3.44Å
31N39.4Very low42.7Very low154 Ų154138.7 Ų138.782%0.82480%0.797SS**  trans-49.6102.8168.8-9315.5000110.3E29E29-N31 PolarHBondContact O-N 3.49Å
32K43.9Very low42.3Very low199 Ų199143.9 Ų143.987%0.86580%0.803SS**  trans-98.297.5158.6-75.5-163.6179.1-172.40107.9S30S30-K32 PolarHBondContact O-N 3.44Å
33L42.9Very low42.1Very low166 Ų166140.9 Ų140.987%0.86980%0.798SS**  trans-126.8116.4157.6-80.6169000108.5
34G35Very low41.3Very low80 Ų80136.8 Ų136.883%0.82580%0.795SS**  trans57.3114.2147.700000120.2
35G36.4Very low40.5Very low77 Ų77138 Ų13879%0.79481%0.806SS**  trans-77.7-167.5157.400000112.9
36P48.7Very low40.6Very low119 Ų119145.4 Ų145.477%0.77382%0.815SS**  cis-137.5163.710.640.8-22.1000117.7
37Q39.1Very low40.1Very low170 Ų170143.5 Ų143.579%0.79482%0.82SS**  trans65.2112.1141.2-66.1-93.99.200121.6
38Q34.8Very low39.5Very low191 Ų191143.1 Ų143.189%0.89383%0.826SS**  150137.5113.6-81.9-166.44.500112.1
39G33.7Very low38.8Very low79 Ų79136.7 Ų136.781%0.81482%0.821SS**  trans14077.2160.100000116.2
40V41.7Very low38.7Very low141 Ų141135 Ų13586%0.85582%0.822SS**  trans-55.6136.6165.6163.10000111.4
41S29.6Very low38.7Very low121 Ų121134 Ų13485%0.84683%0.827SS**  trans-173.1111.1138-77.70000112.2
42K39.6Very low38.6Very low198 Ų198136.2 Ų136.286%0.86183%0.832SS**  trans-93.9153.4154.8-131.9171.7-177.2169.70106.3
43P45.6Very low38.5Very low125 Ų125134.9 Ų134.981%0.81283%0.829SS**  -140.6173.775.927.7-5.2000111
44G34.8Very low38.6Very low64 Ų64131.3 Ų131.366%0.6682%0.818SS**  cis101.3114.824.800000111.1
45S35.6Very low38.9Very low129 Ų129133.4 Ų133.490%0.90282%0.815SS**  trans90.3107.2159.1-69.80000121.8
46R47.1Very low39.5Very low245 Ų245139.1 Ų139.193%0.92582%0.823SS**  trans-9141.4135.4-62.5173.4155.9174.5-8.5118.2
47A37Very low39.9Very low105 Ų105139.3 Ų139.387%0.86882%0.822SS**  trans-156.1133.8137.800000111
48D37.9Very low40.3Very low171 Ų171139.4 Ų139.491%0.91482%0.822SS**  trans-68.3153.4173.6-90.6-66.9000113.7
49G36Very low40.7Very low66 Ų66137.9 Ų137.968%0.6882%0.819SS**  113.8132.1123.600000120.1
50V34.5Very low41.3Very low148 Ų148139.4 Ų139.490%0.89782%0.818SS**  trans84.7108.2155.3-169.40000115
51G38.7Very low41.7Very low67 Ų67138.6 Ų138.669%0.69181%0.813SS**  81.3121.59200000108.6
52E37.9Very low42.6Very low199 Ų199138.9 Ų138.993%0.9381%0.81SS**  -165.6174.151.3-72.2-179156.600110.1
53E42.1Very low42.9Very low171 Ų171135.1 Ų135.180%0.79980%0.804SS**  trans-58.8159.4-174.3-168.3-147.6132.800116.8
54S45.6Very low43Very low91 Ų91134.3 Ų134.364%0.63680%0.799SS**  trans74.5109.9159.8-77.20000116
55T41.2Very low44.1Very low125 Ų125135.9 Ų135.977%0.76781%0.805SS**  -172.4114.379.5-58.40000109.1V57T55-V57 PolarHBondContact O-N 2.89Å
56M47.4Very low44.9Very low197 Ų197138.3 Ų138.397%0.9780%0.804SS**THydrogen-bonded Turntrans-91.957.2-172.4-166-165.4-71.400112.3
57V57.3Low45.1Very low122 Ų122136.1 Ų136.174%0.73980%0.797SS**THydrogen-bonded Turntrans-134.2-9.7-179.6-173.50000114.8T55T55-V57 PolarHBondContact O-N 2.89Å
58E48.5Very low46Very low173 Ų173137.7 Ų137.781%0.80879%0.791SS**SBendtrans-118.133.2-166.6-139.4176.2-173.500115.6
59L42.1Very low46.9Very low158 Ų158133.4 Ų133.483%0.82777%0.768SS**SBendtrans-116.5-0.9173.8-73.3167000113.9
60S47.5Very low48.3Very low112 Ų112138.6 Ų138.678%0.78378%0.775SS**SBendtrans-86.7-7.1-174.7-61.80000115
61T50.1Low49.7Very low123 Ų123135.2 Ų135.276%0.75576%0.758SS**SBendtrans-116.49.2-169.750.90000115.4
62T48.4Very low51.3Low127 Ų127136.3 Ų136.378%0.77976%0.76SS**  trans-139.244.1-179.3-6.10000113.7
63T45.8Very low53Low120 Ų120132.9 Ų132.974%0.73675%0.747SS**SBendtrans-107.5120.5162.5-39.70000108.3A65T63-A65 PolarHBondContact O-N 2.9Å
64P48.5Very low54.8Low108 Ų108129.5 Ų129.570%0.70173%0.734SS**  trans-59.9131.8177.9-16.228.9000109.6M66P64-M66 PolarHBondContact O-N 3.37Å
65A56.2Low56.4Low97 Ų97131.2 Ų131.280%0.80273%0.731SS**  trans-45.7103173.900000111.1T63T63-A65 PolarHBondContact O-N 2.9Å
66M53.1Low58.2Low179 Ų179128.2 Ų128.288%0.88272%0.715SS**  trans-109109.7166.3-72.9-81.3-69.900104.8P64P64-M66 PolarHBondContact O-N 3.37Å
67Y50.9Low59.7Low199 Ų199126.1 Ų126.178%0.7870%0.703SS**  trans91.769.5179.2-112.6-97.3000116.7D69Y67-D69 HydrophobicContact CD1-CB 3.44Å; Y67-D69 VanDerWaalsContact CD1-CB 3.44Å; Y67-D69 HydrophobicContact CE1-CB 3.21Å; Y67-D69 WeakPolarHBondContact CE1-OD2 3.35Å; Y67-D69 HydrophobicContact CG-CB 4.39Å; Y67-D69 PolarHBondContact OH-OD2 3.26Å
68D56.7Low60.9Low138 Ų138127 Ų12774%0.73869%0.694SS**  trans-96.872.9152.7-146.613.4000106.8
69D57.2Low62.4Low81 Ų81123.4 Ų123.443%0.43368%0.679SS.*  trans-101.281.1176.8-158.48.5000106.8Y67 S71Y67-D69 HydrophobicContact CD1-CB 3.44Å; Y67-D69 VanDerWaalsContact CD1-CB 3.44Å; Y67-D69 HydrophobicContact CE1-CB 3.21Å; Y67-D69 WeakPolarHBondContact CE1-OD2 3.35Å; Y67-D69 HydrophobicContact CG-CB 4.39Å; Y67-D69 PolarHBondContact OH-OD2 3.26Å; D69-S71 PolarHBondContact O-N 2.95Å
70E64Low64.1Low175 Ų175120.8 Ų120.882%0.81867%0.666SS**  trans-69.334.9175.6-57.9-111.9122.700111.6
71S63.9Low65.5Low77 Ų77118.8 Ų118.854%0.53865%0.652SS.*  trans-101.421174.690.70000111.9D69 I73D69-S71 PolarHBondContact O-N 2.95Å; S71-I73 PolarHBondContact O-N 3.43Å
72A72.2Confident66.3Low90 Ų90116.3 Ų116.374%0.74463%0.633SS**  trans-57.3118.6170.300000107.5D74A72-D74 PolarHBondContact O-N 3.41Å
73I73.8Confident67Low128 Ų128114.5 Ų114.566%0.65662%0.622SS**  trans-61.7111.6179.1-65.8167.9000107S71 F75S71-I73 PolarHBondContact O-N 3.43Å; I73-F75 HydrophobicContact CB-CE2 3.94Å; I73-F75 HydrophobicContact CB-CZ 3.98Å; I73-F75 HydrophobicContact CG2-CD1 4.15Å; I73-F75 HydrophobicContact CG2-CD2 4.25Å; I73-F75 HydrophobicContact CG2-CE1 3.72Å; I73-F75 HydrophobicContact CG2-CE2 3.83Å; I73-F75 HydrophobicContact CG2-CG 4.4Å; I73-F75 HydrophobicContact CG2-CZ 3.54Å; I73-F75 WeakPolarHBondContact O-CD2 3.49Å; I73-F75 WeakPolarHBondContact O-CE2 3.36Å; I73-F75 PolarHBondContact O-N 2.97Å; I73-F75 VanDerWaalsContact O-N 3.14Å
74D80.6Confident67.8Low99 Ų99112.8 Ų112.853%0.52961%0.614SS.*  trans-75.799.7177.1-179.215.9000109.5A72 S76A72-D74 PolarHBondContact O-N 3.41Å; D74-S76 PolarHBondContact O-N 3.46Å; D74-S76 WeakPolarHBondContact OD1-CB 3.47Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-S76 PolarHBondContact OD1-OG 2.95Å
75F78.5Confident68.2Low128 Ų128111 Ų11156%0.56160%0.601SS**  trans-76.8-5.8177.3-65.7-78.4000113I73 Q77 Y78 I79I73-F75 HydrophobicContact CB-CE2 3.94Å; I73-F75 HydrophobicContact CB-CZ 3.98Å; I73-F75 HydrophobicContact CG2-CD1 4.15Å; I73-F75 HydrophobicContact CG2-CD2 4.25Å; I73-F75 HydrophobicContact CG2-CE1 3.72Å; I73-F75 HydrophobicContact CG2-CE2 3.83Å; I73-F75 HydrophobicContact CG2-CG 4.4Å; I73-F75 HydrophobicContact CG2-CZ 3.54Å; I73-F75 WeakPolarHBondContact O-CD2 3.49Å; I73-F75 WeakPolarHBondContact O-CE2 3.36Å; I73-F75 PolarHBondContact O-N 2.97Å; I73-F75 VanDerWaalsContact O-N 3.14Å; F75-Q77 VanDerWaalsContact C-N 3.29Å; F75-Q77 PolarHBondContact O-N 2.73Å; F75-Y78 PolarHBondContact O-N 3.16Å; F75-I79 HydrophobicContact CB-CD1 4.42Å; F75-I79 WeakPolarHBondContact O-CG1 3.41Å; F75-I79 PolarHBondContact O-N 3.29Å
76S80.7Confident68.1Low62 Ų62111.7 Ų111.743%0.43460%0.598SS.*Hα-helixtrans-59.7-41.4-177.9-460000111.1D74 Y78 I79 D80D74-S76 PolarHBondContact O-N 3.46Å; D74-S76 WeakPolarHBondContact OD1-CB 3.47Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-S76 PolarHBondContact OD1-OG 2.95Å; S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact O-N 2.9Å; S76-I79 PolarHBondContact O-N 3.42Å; S76-D80 WeakPolarHBondContact O-CB 3.27Å; S76-D80 PolarHBondContact O-N 3.26Å
77Q78.4Confident68.2Low152 Ų152111.2 Ų111.271%0.7160%0.599SS**Hα-helixtrans-62.8-34.4176.3-72.4-177.210.700113.5F75 S81F75-Q77 VanDerWaalsContact C-N 3.29Å; F75-Q77 PolarHBondContact O-N 2.73Å; Q77-S81 WeakPolarHBondContact O-CB 3.47Å; Q77-S81 PolarHBondContact O-N 2.88Å
78Y81.1Confident68.3Low142 Ų142105.9 Ų105.956%0.55758%0.583SS**Hα-helixtrans-74.7-39.4177.1176-97.3000111.6F75 S76 S81 M82F75-Y78 PolarHBondContact O-N 3.16Å; S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact O-N 2.9Å; Y78-S81 PolarHBondContact O-N 2.88Å; Y78-M82 HydrophobicContact CE1-CE 4.43Å; Y78-M82 HydrophobicContact CE1-CG 4.27Å; Y78-M82 HydrophobicContact CE1-SD 3.98Å; Y78-M82 HydrophobicContact CE2-CE 4.42Å; Y78-M82 PolarHBondContact O-N 3.41Å; Y78-M82 WeakPolarHBondContact OH-CE 3.45Å
79I80.3Confident68.3Low96 Ų96106.5 Ų106.549%0.49258%0.582SS.*Hα-helixtrans-62.9-49.8176.3-66.3167.2000109.6F75 S76 S81 M82 T83F75-I79 HydrophobicContact CB-CD1 4.42Å; F75-I79 WeakPolarHBondContact O-CG1 3.41Å; F75-I79 PolarHBondContact O-N 3.29Å; S76-I79 PolarHBondContact O-N 3.42Å; I79-S81 VanDerWaalsContact C-N 3.31Å; I79-S81 PolarHBondContact O-N 3.43Å; I79-M82 PolarHBondContact O-N 2.93Å; I79-M82 VanDerWaalsContact O-N 3.1Å; I79-T83 WeakPolarHBondContact O-CG2 3.38Å; I79-T83 PolarHBondContact O-N 3.31Å; I79-T83 PolarHBondContact O-OG1 3.48Å
80D78Confident68.3Low103 Ų103107.1 Ų107.155%0.55159%0.585SS**Hα-helixtrans-64.5-35.4177.9-69.1-18.7000112.2S76 M82 T83 S84S76-D80 WeakPolarHBondContact O-CB 3.27Å; S76-D80 PolarHBondContact O-N 3.26Å; D80-M82 VanDerWaalsContact C-N 3.33Å; D80-M82 PolarHBondContact O-N 3.1Å; D80-T83 WeakPolarHBondContact CA-OG1 3.36Å; D80-T83 PolarHBondContact O-N 3.03Å; D80-T83 PolarHBondContact O-OG1 3.32Å; D80-T83 VanDerWaalsContact O-OG1 3.08Å; D80-S84 VanDerWaalsContact O-CB 3.24Å; D80-S84 WeakPolarHBondContact O-CB 3.33Å; D80-S84 PolarHBondContact O-N 3.32Å; D80-S84 PolarHBondContact O-OG 3.48Å
81S76.8Confident67.5Low71 Ų71102.8 Ų102.850%0.49757%0.572SS.*Hα-helixtrans-66.9-32.7173.7-175.20000112.6Q77 Y78 I79 S84 V85Q77-S81 WeakPolarHBondContact O-CB 3.47Å; Q77-S81 PolarHBondContact O-N 2.88Å; Y78-S81 PolarHBondContact O-N 2.88Å; I79-S81 VanDerWaalsContact C-N 3.31Å; I79-S81 PolarHBondContact O-N 3.43Å; S81-S84 PolarHBondContact O-OG 2.93Å; S81-S84 VanDerWaalsContact O-OG 3.14Å; S81-V85 WeakPolarHBondContact O-CG2 3.41Å
82M66.9Low66.8Low71 Ų71103.1 Ų103.135%0.3557%0.568SS.*Hα-helixtrans-77.5-34.3175.8-87.5-150.6156.400113Y78 I79 D80 L90Y78-M82 HydrophobicContact CE1-CE 4.43Å; Y78-M82 HydrophobicContact CE1-CG 4.27Å; Y78-M82 HydrophobicContact CE1-SD 3.98Å; Y78-M82 HydrophobicContact CE2-CE 4.42Å; Y78-M82 PolarHBondContact O-N 3.41Å; Y78-M82 WeakPolarHBondContact OH-CE 3.45Å; I79-M82 PolarHBondContact O-N 2.93Å; I79-M82 VanDerWaalsContact O-N 3.1Å; D80-M82 VanDerWaalsContact C-N 3.33Å; D80-M82 PolarHBondContact O-N 3.1Å; M82-L90 HydrophobicContact CB-CD1 4.18Å
83T64.4Low66.1Low89 Ų89104.4 Ų104.455%0.54656%0.563SS.*Hα-helixtrans-76.5-24.6177.559.90000112.7I79 D80 V85 L90I79-T83 WeakPolarHBondContact O-CG2 3.38Å; I79-T83 PolarHBondContact O-N 3.31Å; I79-T83 PolarHBondContact O-OG1 3.48Å; D80-T83 WeakPolarHBondContact CA-OG1 3.36Å; D80-T83 PolarHBondContact O-N 3.03Å; D80-T83 PolarHBondContact O-OG1 3.32Å; D80-T83 VanDerWaalsContact O-OG1 3.08Å; T83-V85 VanDerWaalsContact C-N 3.32Å; T83-V85 PolarHBondContact O-N 2.96Å; T83-L90 HydrophobicContact CG2-CD1 4.31Å
84S61.7Low65.4Low83 Ų83105 Ų10558%0.5856%0.563SS**THydrogen-bonded Turntrans-80.8-3.5178.766.30000115D80 S81 P86D80-S84 VanDerWaalsContact O-CB 3.24Å; D80-S84 WeakPolarHBondContact O-CB 3.33Å; D80-S84 PolarHBondContact O-N 3.32Å; D80-S84 PolarHBondContact O-OG 3.48Å; S81-S84 PolarHBondContact O-OG 2.93Å; S81-S84 VanDerWaalsContact O-OG 3.14Å; S84-P86 VanDerWaalsContact O-CD 3.23Å; S84-P86 WeakPolarHBondContact O-CD 3.39Å
85V56.3Low64.4Low71 Ų71106.8 Ų106.843%0.4357%0.572SS.*SBendtrans-73.5112178.1-176.20000109.7S81 T83 N87 L88S81-V85 WeakPolarHBondContact O-CG2 3.41Å; T83-V85 VanDerWaalsContact C-N 3.32Å; T83-V85 PolarHBondContact O-N 2.96Å; V85-N87 PolarHBondContact O-N 3.41Å; V85-N87 VanDerWaalsContact O-N 3.12Å; V85-L88 HydrophobicContact CB-CB 3.98Å; V85-L88 HydrophobicContact CG1-CB 4.12Å; V85-L88 PolarHBondContact O-N 3.49Å; V85-L88 VanDerWaalsContact O-N 3.15Å
86P54.6Low63.6Low112 Ų112105.6 Ų105.673%0.72757%0.566SS**THydrogen-bonded Turntrans-71.8114.5179.329.8-31000108.9S84S84-P86 VanDerWaalsContact O-CD 3.23Å; S84-P86 WeakPolarHBondContact O-CD 3.39Å
87N54.5Low62.8Low169 Ų169106.7 Ų106.790%0.90457%0.567SS**THydrogen-bonded Turntrans101.11.9-172.8-69.1-77.9000117.4V85 E89V85-N87 PolarHBondContact O-N 3.41Å; V85-N87 VanDerWaalsContact O-N 3.12Å; N87-E89 PolarHBondContact O-N 2.68Å
88L54Low62.1Low86 Ų86104.8 Ų104.845%0.4556%0.561SS.*  trans-90.783.6164.6-154.668.1000108.2V85 L90V85-L88 HydrophobicContact CB-CB 3.98Å; V85-L88 HydrophobicContact CG1-CB 4.12Å; V85-L88 PolarHBondContact O-N 3.49Å; V85-L88 VanDerWaalsContact O-N 3.15Å; L88-L90 HydrophobicContact CD2-CD1 4.46Å; L88-L90 HydrophobicContact CD2-CD2 4.44Å; L88-L90 HydrophobicContact CD2-CG 4.22Å; L88-L90 HydrophobicContact CG-CG 4.27Å; L88-L90 PolarHBondContact O-N 2.88Å
89E57.2Low61.7Low152 Ų152102.7 Ų102.771%0.7156%0.56SS**  trans-59.885.1160.5-89.6-166.2179.300107.6N87 C91 N92N87-E89 PolarHBondContact O-N 2.68Å; E89-C91 PolarHBondContact O-N 3.37Å; E89-N92 PolarHBondContact OE2-ND2 2.86Å
90L55.9Low60.7Low94 Ų94105 Ų10549%0.49257%0.566SS.*  trans-66.890.1161.6-78.8162.7000105.9M82 T83 L88M82-L90 HydrophobicContact CB-CD1 4.18Å; T83-L90 HydrophobicContact CG2-CD1 4.31Å; L88-L90 HydrophobicContact CD2-CD1 4.46Å; L88-L90 HydrophobicContact CD2-CD2 4.44Å; L88-L90 HydrophobicContact CD2-CG 4.22Å; L88-L90 HydrophobicContact CG-CG 4.27Å; L88-L90 PolarHBondContact O-N 2.88Å
91C46.9Very low60Low83 Ų83104.7 Ų104.756%0.56157%0.565SS**  trans40.696.7165.4-62.30000114.7E89 D93 F96E89-C91 PolarHBondContact O-N 3.37Å; C91-D93 PolarHBondContact O-N 2.93Å; C91-F96 HydrophobicContact CB-CE2 4.25Å
92N51Low59.1Low85 Ų85104.9 Ų104.946%0.45556%0.563SS.*  trans-24.3101.7157.4-70-84.7000112.7E89 E94 L95E89-N92 PolarHBondContact OE2-ND2 2.86Å; N92-E94 PolarHBondContact O-N 3.43Å; N92-L95 PolarHBondContact O-N 2.95Å
93D56.5Low58.6Low116 Ų116106.7 Ų106.762%0.6258%0.577SS**THydrogen-bonded Turntrans-57.6-22.6178.4-74-37.3000111.7C91 L95 F96 L97C91-D93 PolarHBondContact O-N 2.93Å; D93-L95 PolarHBondContact O-N 3.37Å; D93-F96 PolarHBondContact O-N 3.1Å; D93-L97 HydrophobicContact CB-CD1 3.99Å; D93-L97 WeakPolarHBondContact O-CD1 3.41Å; D93-L97 PolarHBondContact O-N 2.83Å
94E58.2Low57.9Low141 Ų141110.6 Ų110.666%0.65959%0.587SS**Hα-helixtrans-54.6-33177.4-62-60.8135.500113.7N92N92-E94 PolarHBondContact O-N 3.43Å
95L60.8Low57.3Low137 Ų137114.6 Ų114.672%0.71760%0.596SS**Hα-helixtrans-75.9-26.1177.3-72.9170000112.7N92 D93N92-L95 PolarHBondContact O-N 2.95Å; D93-L95 PolarHBondContact O-N 3.37Å
96F61.2Low56.8Low102 Ų102119.8 Ų119.845%0.44762%0.616SS.*Hα-helixtrans-89.4-26178.3-69.8-77.1000112.6C91 D93 D98 L99 F100C91-F96 HydrophobicContact CB-CE2 4.25Å; D93-F96 PolarHBondContact O-N 3.1Å; F96-D98 VanDerWaalsContact C-N 3.3Å; F96-D98 PolarHBondContact O-N 3.31Å; F96-L99 HydrophobicContact CD1-CD2 4.38Å; F96-L99 PolarHBondContact O-N 3.16Å; F96-F100 PolarHBondContact O-N 3.33Å
97L63.5Low56.6Low86 Ų86122 Ų12245%0.4561%0.614SS.*Hα-helixtrans-57.2-44.5173.2-95.777.3000111D93 F100 N101D93-L97 HydrophobicContact CB-CD1 3.99Å; D93-L97 WeakPolarHBondContact O-CD1 3.41Å; D93-L97 PolarHBondContact O-N 2.83Å; L97-F100 PolarHBondContact O-N 2.96Å; L97-N101 VanDerWaalsContact O-CB 3.26Å; L97-N101 WeakPolarHBondContact O-CB 3.4Å; L97-N101 PolarHBondContact O-N 2.93Å; L97-N101 PolarHBondContact O-ND2 3.18Å
98D65.1Low56.2Low111 Ų111117.5 Ų117.559%0.59459%0.594SS**Hα-helixtrans-70.5-35180-147.629.2000112.2F96 N101 T102F96-D98 VanDerWaalsContact C-N 3.3Å; F96-D98 PolarHBondContact O-N 3.31Å; D98-N101 PolarHBondContact O-N 3.17Å; D98-T102 WeakPolarHBondContact O-CB 3.23Å; D98-T102 VanDerWaalsContact O-CG2 3.24Å; D98-T102 WeakPolarHBondContact O-CG2 3.31Å; D98-T102 PolarHBondContact O-N 3.35Å; D98-T102 PolarHBondContact O-OG1 3.5Å
99L71.2Confident55.7Low99 Ų99120.1 Ų120.152%0.51861%0.609SS.*Hα-helixtrans-67.6-37.2175.9-172.661.7000113F96 T102F96-L99 HydrophobicContact CD1-CD2 4.38Å; F96-L99 PolarHBondContact O-N 3.16Å; L99-T102 PolarHBondContact O-OG1 2.95Å
100F60.8Low54.9Low144 Ų144122.4 Ų122.463%0.63262%0.617SS**Hα-helixtrans-81.1-27.1176.4-91.6-87.3000113.2F96 L97 K104F96-F100 PolarHBondContact O-N 3.33Å; L97-F100 PolarHBondContact O-N 2.96Å; F100-K104 VanDerWaalsContact O-CG 3.31Å; F100-K104 WeakPolarHBondContact O-CG 3.4Å; F100-K104 PolarHBondContact O-N 3.2Å
101N63.2Low54.1Low97 Ų97125.7 Ų125.752%0.51962%0.624SS.*Hα-helixtrans-72.5-37.6174.3-73.1-27.8000112.4L97 D98 V103 K104 Q105L97-N101 VanDerWaalsContact O-CB 3.26Å; L97-N101 WeakPolarHBondContact O-CB 3.4Å; L97-N101 PolarHBondContact O-N 2.93Å; L97-N101 PolarHBondContact O-ND2 3.18Å; D98-N101 PolarHBondContact O-N 3.17Å; N101-V103 PolarHBondContact O-N 2.87Å; N101-K104 PolarHBondContact O-N 2.99Å; N101-Q105 PolarHBondContact O-N 2.88Å
102T57.1Low54Low74 Ų74128 Ų12845%0.45463%0.63SS.*Hα-helixtrans-65.4-36.4176.748.20000112.7D98 L99 K104 Q105D98-T102 WeakPolarHBondContact O-CB 3.23Å; D98-T102 VanDerWaalsContact O-CG2 3.24Å; D98-T102 WeakPolarHBondContact O-CG2 3.31Å; D98-T102 PolarHBondContact O-N 3.35Å; D98-T102 PolarHBondContact O-OG1 3.5Å; L99-T102 PolarHBondContact O-OG1 2.95Å; T102-K104 VanDerWaalsContact C-N 3.31Å; T102-K104 PolarHBondContact O-N 3.5Å; T102-Q105 PolarHBondContact O-N 3.46Å
103V55.8Low53.6Low109 Ų109132.3 Ų132.366%0.66165%0.652SS**Hα-helixtrans-70.1-25.5174.1170.30000112.8N101N101-V103 PolarHBondContact O-N 2.87Å
104K50.7Low52.7Low172 Ų172135.9 Ų135.975%0.74867%0.666SS**Hα-helixtrans-80.2-22.1176.9-72.6-89.4-178.5171.70113.2F100 N101 T102F100-K104 VanDerWaalsContact O-CG 3.31Å; F100-K104 WeakPolarHBondContact O-CG 3.4Å; F100-K104 PolarHBondContact O-N 3.2Å; N101-K104 PolarHBondContact O-N 2.99Å; T102-K104 VanDerWaalsContact C-N 3.31Å; T102-K104 PolarHBondContact O-N 3.5Å
105Q49.5Very low51.7Low166 Ų166134.2 Ų134.278%0.77667%0.669SS**Hα-helixtrans-86.3-21.8-180-102.7-15931.900114.9N101 T102 K107 P108N101-Q105 PolarHBondContact O-N 2.88Å; T102-Q105 PolarHBondContact O-N 3.46Å; Q105-K107 PolarHBondContact O-N 3.23Å; Q105-P108 WeakPolarHBondContact O-CD 3.28Å
106E44.8Very low50.4Low181 Ų181132.6 Ų132.685%0.84668%0.676SS**SBendtrans-7511.2180-86.5-122.4135.300114.7
107K50.3Low49.2Very low158 Ų158134 Ų13469%0.68769%0.693SS**SBendtrans-140.753.7-175.8-131.4178.5-175.2168.60116.9Q105 Y111Q105-K107 PolarHBondContact O-N 3.23Å; K107-Y111 PolarHBondContact O-OH 3.22Å; K107-Y111 VanDerWaalsContact O-OH 3.14Å
108P46.5Very low48.1Very low74 Ų74137.7 Ų137.748%0.48171%0.712SS.*SBendtrans-122.8-4.3148.935.9-27.8000115.9Q105Q105-P108 WeakPolarHBondContact O-CD 3.28Å
109D43.8Very low46.6Very low142 Ų142138.7 Ų138.776%0.75973%0.728SS**SBendtrans-102.3-0.9-169.7-64.4-33.8000116Y111D109-Y111 PolarHBondContact O-N 3.21Å
110F39.8Very low44.7Very low199 Ų199137.8 Ų137.887%0.87374%0.742SS**THydrogen-bonded Turntrans-85.7-0.2-176.4-146.6-96.2000115.1
111Y39.8Very low43.3Very low163 Ų163135 Ų13564%0.63975%0.754SS**THydrogen-bonded Turntrans-111.42.7-179.5-9.8-83.1000114.9K107 D109K107-Y111 PolarHBondContact O-OH 3.22Å; K107-Y111 VanDerWaalsContact O-OH 3.14Å; D109-Y111 PolarHBondContact O-N 3.21Å
112N43.6Very low42.1Very low131 Ų131139.6 Ų139.670%0.70177%0.774SS**  trans-123.550.3-171.5-153.7-8.4000113.6
113L42.5Very low41.1Very low176 Ų176143.7 Ų143.792%0.92179%0.791SS**  trans-124.226.9170.3-15666.8000113
114Q38.6Very low40Very low192 Ų192145.2 Ų145.290%0.89779%0.79SS**SBendtrans-122.933.2175.6-162.8106.67000111.9
115S37.1Very low39.3Very low105 Ų105144.2 Ų144.273%0.73479%0.788SS**SBendtrans-161.362.7172.5-159.80000113.5
116A33.4Very low38.6Very low103 Ų103144 Ų14485%0.85179%0.787SS**  trans-158.462.9161.800000110.8
117V36.5Very low38Very low133 Ų133142.7 Ų142.781%0.80679%0.785SS**  trans-86.7134.9150.21660000106.1
118L40.3Very low37.1Very low162 Ų162140 Ų14085%0.84879%0.786SS**  trans111.9127.3169.8-55.5-177000115.6
119S32.9Very low36.5Very low133 Ų133139.6 Ų139.693%0.9379%0.79SS**  trans86.8109.8176.7-137.80000113.5
120G31.7Very low35.8Very low80 Ų80139.6 Ų139.683%0.82579%0.794SS**  cis118.5121.330.900000108.2
121G31.5Very low35.3Very low85 Ų85139.8 Ų139.888%0.87679%0.791SS**  trans129.7141.516600000116.3
122M38.7Very low34.9Very low193 Ų193137.1 Ų137.195%0.95180%0.802SS**  trans-106.6168.5-165.6-56.1177.1137.400111.8
123M34.5Very low34.3Very low161 Ų161138.7 Ų138.779%0.79380%0.803SS**  trans103.9106.6142.9-154.4162.7178.300120.4
124Q33.5Very low33.8Very low140 Ų140139.8 Ų139.865%0.65480%0.803SS**  92.3138.7119.4-163.4173.34000124.7
125Q35.1Very low33.4Very low151 Ų151136.9 Ų136.971%0.70679%0.794SS**  trans82.1106.9153.3-104.2157.5-3.300118.5
126Q34.8Very low33Very low161 Ų161136 Ų13675%0.75280%0.801SS**  78.3126.165-170.717619.800114.2
127L32.9Very low33Very low154 Ų154135.7 Ų135.781%0.80680%0.799SS**  trans161.394.7138.5-83.3159.4000108.5
128S32.3Very low33.4Very low101 Ų101135.7 Ų135.771%0.70680%0.801SS**  81.4111.887.469.10000115.5
129A32.2Very low33.2Very low67 Ų67136.7 Ų136.755%0.55480%0.802SS**  trans-80.7148.1171.900000112.3Y131A129-Y131 HydrophobicContact CB-CE1 3.88Å
130V29.5Very low33.3Very low141 Ų141140.6 Ų140.686%0.85580%0.802SS**  trans-129.6124.9166.1174.50000109.1
131Y28.8Very low33.3Very low204 Ų204140.7 Ų140.780%0.880%0.803SS**  trans-100.9136.1175.2-10.6-91000107.7A129A129-Y131 HydrophobicContact CB-CE1 3.88Å
132A31.5Very low33.4Very low106 Ų106141.3 Ų141.388%0.87680%0.8SS**  trans-121.2119.1168.300000109.3
133K32.4Very low33.3Very low164 Ų164142.5 Ų142.571%0.71380%0.8SS**  trans-99.3142.7176.6-144.3-154.9179.4-137.20107.7D135K133-D135 IonicContact NZ-OD1 2.84Å; K133-D135 PolarHBondContact NZ-OD1 3.06Å; K133-D135 IonicContact NZ-OD2 3.18Å; K133-D135 PolarHBondContact NZ-OD2 2.97Å
134Q30.7Very low33.4Very low199 Ų199140.6 Ų140.693%0.9380%0.801SS**  trans-145.9125.3155.8-118.7-178.90.800110.8
135D30.7Very low33.6Very low132 Ų132137.8 Ų137.871%0.70680%0.802SS**  trans-88.7154.3178-71-58.5000110.8K133K133-D135 IonicContact NZ-OD1 2.84Å; K133-D135 PolarHBondContact NZ-OD1 3.06Å; K133-D135 IonicContact NZ-OD2 3.18Å; K133-D135 PolarHBondContact NZ-OD2 2.97Å
136G29.7Very low34Very low86 Ų86136.8 Ų136.889%0.88781%0.808SS**  trans171104.6163.300000115.3
137A33.5Very low34.8Very low97 Ų97136.9 Ų136.980%0.80281%0.812SS**  trans-112161.9162.500000108.8
138P44.6Very low35.2Very low132 Ų132137.9 Ų137.986%0.85781%0.81SS**  -149.4171.782.235.3-14.1000116.5
139E36.3Very low35.6Very low184 Ų184140 Ų14086%0.8681%0.809SS**  trans-69.2156.6-172.3-56.1-163.313000117.5
140K34.2Very low36Very low214 Ų214145.8 Ų145.893%0.9382%0.824SS**  trans-160.6126.1136.7-106.5174.8-171.7-177.40110.2
141G32.5Very low37.2Very low82 Ų82144 Ų14485%0.84582%0.818SS**  trans-78.7158.5-17000000116
142A33.8Very low37.9Very low98 Ų98141.5 Ų141.581%0.8182%0.819SS**  trans-167.4128.1141.800000107.3C144A142-C144 PolarHBondContact O-N 2.99Å
143F36.3Very low38.6Very low219 Ų219148.1 Ų148.196%0.96182%0.821SS**  trans-52.5123.6167.9-89.8-104.6000109.9
144C35.8Very low39.1Very low121 Ų121144.7 Ų144.782%0.81882%0.818SS**  trans-146.6106.5158-149.60000107.8A142A142-C144 PolarHBondContact O-N 2.99Å
145A38.8Very low39.6Very low80 Ų80142.4 Ų142.466%0.66181%0.812SS**  trans-58.2136.1171.100000108.9I147A145-I147 PolarHBondContact O-N 3.14Å
146P42.8Very low40.1Very low130 Ų130140.3 Ų140.384%0.84481%0.808SS**  trans-73.195.6176.8-0.415000109
147I52.3Low41.3Very low164 Ų164143.3 Ų143.384%0.84180%0.803SS**  trans-87.399.9153-59.2174.7000105.2A145A145-I147 PolarHBondContact O-N 3.14Å
148K40.2Very low42Very low175 Ų175146.7 Ų146.776%0.76181%0.805SS**  trans-161142.9167.1-94.2-166.4167.5176.90107.5
149Q42Very low42.5Very low146 Ų146146.8 Ų146.868%0.68281%0.808SS**  cis178.1113.9-4164.9170.93.20099.5S151Q149-S151 PolarHBondContact O-N 2.96Å
150E38.8Very low43.2Very low187 Ų187141.7 Ų141.787%0.87479%0.793SS**  trans-58.2129178.953.4-147.5113.800109.3D152E150-D152 PolarHBondContact O-N 3.4Å
151S56.5Low44.4Very low104 Ų104135 Ų13573%0.72777%0.773SS**  trans-68.4103.1-177.1-60.60000108.8Q149 W153Q149-S151 PolarHBondContact O-N 2.96Å; S151-W153 PolarHBondContact O-N 2.58Å
152D42.9Very low45.7Very low152 Ų152137.1 Ų137.181%0.81377%0.765SS**  trans-62.6115.2165.4-159.317.6000107.6E150 S154E150-D152 PolarHBondContact O-N 3.4Å; D152-S154 PolarHBondContact O-N 3.07Å
153W45.3Very low47.1Very low244 Ų244136.7 Ų136.792%0.92475%0.754SS**  trans-75.782177.7-71.887.5000108.3S151 D155S151-W153 PolarHBondContact O-N 2.58Å; W153-D155 PolarHBondContact O-N 3.34Å
154S42.6Very low48.4Very low92 Ų92129.7 Ų129.764%0.64373%0.732SS**  trans-79.5112.3170.3-168.60000109.3D152 S156D152-S154 PolarHBondContact O-N 3.07Å; S154-S156 PolarHBondContact O-N 3.01Å; S154-S156 VanDerWaalsContact O-N 3.08Å; S154-S156 PolarHBondContact OG-OG 3.34Å
155D42.7Very low50.1Low151 Ų151128.7 Ų128.781%0.80772%0.715SS**  trans-71.688.2169.3-174.630.3000109.2W153W153-D155 PolarHBondContact O-N 3.34Å
156S41.4Very low51.7Low88 Ų88130 Ų13062%0.61571%0.71SS**  trans-138.2103.7173.8-57.90000108.9S154 M158S154-S156 PolarHBondContact O-N 3.01Å; S154-S156 VanDerWaalsContact O-N 3.08Å; S154-S156 PolarHBondContact OG-OG 3.34Å; S156-M158 PolarHBondContact O-N 3.14Å
157D53.5Low52.7Low149 Ų149129.7 Ų129.780%0.79770%0.697SS**  trans-43.998.5168.2-73.2-60.7000111
158M49Very low53.3Low169 Ų169126.2 Ų126.283%0.83368%0.684SS**  trans-139109.5160.9-79-70.1104.500106.9S156 S160S156-M158 PolarHBondContact O-N 3.14Å; M158-S160 PolarHBondContact O-N 3.4Å
159S54.4Low54.6Low133 Ų133122.5 Ų122.593%0.9368%0.679SS**  trans-31.597.1-179.4-66.10000113.7S161S159-S161 PolarHBondContact O-N 3.4Å
160S50.6Low55.6Low77 Ų77119.2 Ų119.254%0.53868%0.677SS.*  trans-88.3104.9162.452.90000106.8M158 L162 Q165M158-S160 PolarHBondContact O-N 3.4Å; S160-L162 PolarHBondContact O-N 2.88Å; S160-L162 VanDerWaalsContact O-N 3.12Å; S160-Q165 PolarHBondContact OG-NE2 3.01Å
161S59.8Low56.6Low74 Ų74117.6 Ų117.652%0.51767%0.669SS.*  trans-62119.6177.765.50000108.1S159 P163 S164S159-S161 PolarHBondContact O-N 3.4Å; S161-P163 WeakPolarHBondContact O-CD 3.3Å; S161-S164 PolarHBondContact O-N 3.48Å
162L59.9Low56.6Low127 Ų127117.4 Ų117.467%0.66566%0.664SS**Hα-helixtrans-40.1-37.9175.4-89.6154.1000114.1S160 S164 Q165 I166S160-L162 PolarHBondContact O-N 2.88Å; S160-L162 VanDerWaalsContact O-N 3.12Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-S164 PolarHBondContact O-N 3Å; L162-Q165 PolarHBondContact O-N 2.87Å; L162-I166 WeakPolarHBondContact O-CD1 3.34Å; L162-I166 WeakPolarHBondContact O-CG1 3.31Å; L162-I166 PolarHBondContact O-N 3.39Å; L162-I166 VanDerWaalsContact O-N 3.07Å
163P64.2Low56.7Low89 Ų89114.4 Ų114.458%0.57866%0.655SS**Hα-helixtrans-58.9-38.2175.9-2736.9000114.4S161 I166 E167S161-P163 WeakPolarHBondContact O-CD 3.3Å; P163-I166 PolarHBondContact O-N 3.28Å; P163-E167 WeakPolarHBondContact O-CB 3.44Å; P163-E167 PolarHBondContact O-N 3.08Å
164S62.8Low56.9Low71 Ų71108.3 Ų108.350%0.49764%0.644SS.*Hα-helixtrans-71.4-34.1-178.6-175.30000112.4S161 L162 T168S161-S164 PolarHBondContact O-N 3.48Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-S164 PolarHBondContact O-N 3Å; S164-T168 PolarHBondContact O-N 3.47Å; S164-T168 VanDerWaalsContact O-N 3.16Å; S164-T168 PolarHBondContact O-OG1 3.21Å
165Q72.2Confident57.1Low100 Ų100108.8 Ų108.847%0.46765%0.647SS.*Hα-helixtrans-71-37173.6-69.3-16923.200112.3S160 L162 E167 T168 C169S160-Q165 PolarHBondContact OG-NE2 3.01Å; L162-Q165 PolarHBondContact O-N 2.87Å; Q165-E167 VanDerWaalsContact C-N 3.33Å; Q165-T168 WeakPolarHBondContact CA-OG1 3.43Å; Q165-T168 PolarHBondContact O-N 3.47Å; Q165-T168 PolarHBondContact O-OG1 3.06Å; Q165-C169 WeakPolarHBondContact O-CB 3.42Å; Q165-C169 PolarHBondContact O-N 2.96Å; Q165-C169 PolarHBondContact O-SG 3.45Å
166I71.9Confident56.9Low108 Ų108108.7 Ų108.755%0.55465%0.646SS**Hα-helixtrans-66-39.6176.3-65.8161.8000110.2L162 P163 C169 A170L162-I166 WeakPolarHBondContact O-CD1 3.34Å; L162-I166 WeakPolarHBondContact O-CG1 3.31Å; L162-I166 PolarHBondContact O-N 3.39Å; L162-I166 VanDerWaalsContact O-N 3.07Å; P163-I166 PolarHBondContact O-N 3.28Å; I166-C169 PolarHBondContact O-N 2.95Å; I166-A170 VanDerWaalsContact O-CB 3.28Å; I166-A170 WeakPolarHBondContact O-CB 3.15Å; I166-A170 PolarHBondContact O-N 2.93Å
167E63.2Low57.1Low124 Ų124109.6 Ų109.658%0.57965%0.65SS**Hα-helixtrans-67.2-38.6177.8-162.6162.2-157.400112.2P163 Q165 A170 Q171P163-E167 WeakPolarHBondContact O-CB 3.44Å; P163-E167 PolarHBondContact O-N 3.08Å; Q165-E167 VanDerWaalsContact C-N 3.33Å; E167-A170 PolarHBondContact O-N 3.47Å; E167-Q171 WeakPolarHBondContact O-CG 3.47Å; E167-Q171 PolarHBondContact O-N 2.86Å
168T66Low56.9Low91 Ų91109.9 Ų109.956%0.55866%0.657SS**Hα-helixtrans-69.3-36.6173.418.80000112.9S164 Q165 T172S164-T168 PolarHBondContact O-N 3.47Å; S164-T168 VanDerWaalsContact O-N 3.16Å; S164-T168 PolarHBondContact O-OG1 3.21Å; Q165-T168 WeakPolarHBondContact CA-OG1 3.43Å; Q165-T168 PolarHBondContact O-N 3.47Å; Q165-T168 PolarHBondContact O-OG1 3.06Å; T168-T172 PolarHBondContact O-N 3.41Å; T168-T172 VanDerWaalsContact O-N 3.16Å; T168-T172 PolarHBondContact O-OG1 3.28Å
169C66.2Low56.5Low97 Ų97104.1 Ų104.166%0.65564%0.641SS**Hα-helixtrans-67.6-38.7172.7-770000112.3Q165 I166 T172Q165-C169 WeakPolarHBondContact O-CB 3.42Å; Q165-C169 PolarHBondContact O-N 2.96Å; Q165-C169 PolarHBondContact O-SG 3.45Å; I166-C169 PolarHBondContact O-N 2.95Å; C169-T172 WeakPolarHBondContact O-CB 3.14Å; C169-T172 PolarHBondContact O-N 3.35Å
170A64.3Low55.9Low77 Ų77105.7 Ų105.764%0.63663%0.634SS**Hα-helixtrans-69.2-33.5177.600000112.6I166 E167 T172I166-A170 VanDerWaalsContact O-CB 3.28Å; I166-A170 WeakPolarHBondContact O-CB 3.15Å; I166-A170 PolarHBondContact O-N 2.93Å; E167-A170 PolarHBondContact O-N 3.47Å; A170-T172 VanDerWaalsContact C-N 3.29Å
171Q58.9Low55.3Low152 Ų152107.9 Ų107.971%0.7165%0.646SS**Hα-helixtrans-77.3-13.7173.2-68.4-154.824.400113.8E167 S173E167-Q171 WeakPolarHBondContact O-CG 3.47Å; E167-Q171 PolarHBondContact O-N 2.86Å; Q171-S173 PolarHBondContact O-N 3.25Å
172T56.5Low54.9Low101 Ų101109.3 Ų109.362%0.6265%0.652SS**  trans-77.260.8167.5-50.70000109.6T168 C169 A170 V174T168-T172 PolarHBondContact O-N 3.41Å; T168-T172 VanDerWaalsContact O-N 3.16Å; T168-T172 PolarHBondContact O-OG1 3.28Å; C169-T172 WeakPolarHBondContact O-CB 3.14Å; C169-T172 PolarHBondContact O-N 3.35Å; A170-T172 VanDerWaalsContact C-N 3.29Å; T172-V174 PolarHBondContact O-N 3.15Å; T172-V174 VanDerWaalsContact O-N 3.11Å
173S45.3Very low54.8Low89 Ų89108.6 Ų108.662%0.62266%0.655SS**  trans-68.2106.3165.664.40000108Q171 S175Q171-S173 PolarHBondContact O-N 3.25Å; S173-S175 PolarHBondContact O-N 2.97Å
174V50.1Low54Low116 Ų116110.3 Ų110.370%0.70367%0.666SS**  trans-67.980.3160.9-73.30000107.6T172 L176T172-V174 PolarHBondContact O-N 3.15Å; T172-V174 VanDerWaalsContact O-N 3.11Å; V174-L176 PolarHBondContact O-N 2.93Å
175S45.4Very low52.9Low102 Ų102113.4 Ų113.471%0.71368%0.682SS**  trans-56.896157.4-68.90000106S173 P177S173-S175 PolarHBondContact O-N 2.97Å; S175-P177 WeakPolarHBondContact O-CD 3.07Å
176L39.8Very low51.3Low148 Ų148114.7 Ų114.778%0.77570%0.697SS**  trans-65.9111.2167.5-79114.8000106.4V174 T178V174-L176 PolarHBondContact O-N 2.93Å; L176-T178 PolarHBondContact O-N 2.97Å
177P44.6Very low50.3Low108 Ų108115.1 Ų115.170%0.70171%0.707SS**  trans-62.3110.9160.526.5-31.2000107S175 G179S175-P177 WeakPolarHBondContact O-CD 3.07Å; P177-G179 PolarHBondContact O-N 3.25Å
178T50.3Low49.3Very low155 Ų155117.1 Ų117.195%0.95172%0.716SS**SBendtrans-5484.7146.429.40000107.6L176L176-T178 PolarHBondContact O-N 2.97Å
179G40.7Very low48.3Very low48 Ų48118.7 Ų118.750%0.49573%0.728SS.*SBendtrans16989.9-171.600000110.3P177P177-G179 PolarHBondContact O-N 3.25Å
180Q41.5Very low47.9Very low166 Ų166119.4 Ų119.478%0.77673%0.729SS**  trans-42.6122.2172.6179.1-175.7-23.300112.9T182Q180-T182 PolarHBondContact O-N 3.1Å
181P38Very low46.6Very low123 Ų123121.4 Ų121.480%0.79974%0.738SS**  trans-85107.2162.431.5-25.9000108.2
182T52.2Low46Very low104 Ų104118.9 Ų118.964%0.63874%0.743SS**PPolyproline II helixtrans-69.2134.3161.6410000109.6Q180Q180-T182 PolarHBondContact O-N 3.1Å
183P55.9Low45.4Very low112 Ų112123.7 Ų123.773%0.72776%0.755SS**PPolyproline II helixtrans-70.7152.2168.829.3-32.7000111.1
184P48.9Very low45.3Very low124 Ų124125.3 Ų125.381%0.80577%0.767SS**PPolyproline II helixtrans-68.2135.2-177.927.5-33.1000112.2
185T39.9Very low44.9Very low137 Ų137124.5 Ų124.584%0.8477%0.766SS**PPolyproline II helixtrans-56.9129.3173.2-630000112.3
186T38.8Very low45.1Very low127 Ų127125.9 Ų125.978%0.77977%0.773SS**  trans-114.9143.4158.9-68.70000106.9
187P50.3Low45.6Very low116 Ų116129.9 Ų129.975%0.75378%0.778SS**  trans-79.1158.6-147.131.6-33.7000114.8
188E42.7Very low46Very low166 Ų166134 Ų13478%0.77679%0.785SS**  trans-51.7165-176-63.5-176.4122.500115.9
189P45.1Very low45.9Very low124 Ų124135.7 Ų135.781%0.80578%0.784SS**  -129130.4100.635.5-27.2000114.5
190V56.2Low46Very low112 Ų112136.4 Ų136.468%0.67979%0.791SS**  trans3.4115.6153.6-63.50000119.2
191S37.2Very low46.5Very low120 Ų120141.2 Ų141.284%0.83980%0.802SS**  trans-168.5110.3130.2-94.60000111.5K193S191-K193 PolarHBondContact O-N 3.48Å
192A47.2Very low46.8Very low98 Ų98143.1 Ų143.181%0.8180%0.801SS**  trans-57.9128.5169.100000111.2
193K43.3Very low46.8Very low202 Ų202148.9 Ų148.988%0.87882%0.817SS**  trans-161.8118.7140.7-99.6154.5-164.9-175.60109.1S191S191-K193 PolarHBondContact O-N 3.48Å
194S44Very low46.4Very low123 Ų123145.6 Ų145.686%0.8680%0.803SS**  trans-41125.7-176.951.10000115.8
195S40.9Very low46.6Very low99 Ų99149.9 Ų149.969%0.69281%0.809SS**  trans-121.7117165.3-1570000108.3R197S195-R197 VanDerWaalsContact C-N 3.33Å; S195-R197 PolarHBondContact O-N 3.36Å
196P50.7Low47.5Very low131 Ų131151.2 Ų151.285%0.85180%0.804SS**  trans-80.884.8178.131.5-29.6000109.2K198P196-K198 PolarHBondContact O-N 2.98Å
197R50.1Low48.8Very low233 Ų233150.7 Ų150.788%0.87981%0.805SS**  trans-81.490.6159.6-83.3-165.9-84.4-167.5-5.8109S195S195-R197 VanDerWaalsContact C-N 3.33Å; S195-R197 PolarHBondContact O-N 3.36Å
198K53Low49.9Very low194 Ų194149.2 Ų149.284%0.84379%0.793SS**  trans-175.9105.8152.4-114.6-176178.5-177.30110.4P196P196-K198 PolarHBondContact O-N 2.98Å
199M46.3Very low51.9Low191 Ų191146 Ų14694%0.94178%0.781SS**  trans-156.793.9143.2-72.9-51-101.600103.9
200G44Very low54Low63 Ų63148.5 Ų148.565%0.64978%0.775SS**  90.594.78400000107.8E202G200-E202 PolarHBondContact O-N 3.15Å
201R50.8Low55.6Low266 Ų266150.8 Ų150.8100%1.00478%0.776SS**  trans-60.587.3157.5-84.9-174.4173.4-156.20.2106.4
202E45.3Very low58.3Low164 Ų164147 Ų14777%0.76675%0.75SS**  trans-118116.3164.2-147.6-174177.200107.5G200 G204G200-E202 PolarHBondContact O-N 3.15Å; E202-G204 PolarHBondContact O-N 3.12Å
203K52.3Low60.6Low224 Ų224146.5 Ų146.597%0.97474%0.736SS**  trans-6865.6172.6-171.5167.6177.4176.40108.1
204G47.7Very low63Low43 Ų43141.9 Ų141.944%0.44372%0.718SS.*  trans-107.8125.7175.300000108.7E202 K206E202-G204 PolarHBondContact O-N 3.12Å; G204-K206 PolarHBondContact O-N 3.48Å
205K53.7Low65.5Low215 Ų215139.3 Ų139.394%0.93569%0.69SS**  trans-60.280.1168.2-66.7168.9177.3176.90108.5S207K205-S207 VanDerWaalsContact C-N 3.32Å; K205-S207 PolarHBondContact O-N 3.24Å
206K59Low68.2Low165 Ų165141.9 Ų141.972%0.71768%0.684SS**  trans-72.396.9168-60.7177.6-173.9-177.50104.7G204 V208G204-K206 PolarHBondContact O-N 3.48Å; K206-V208 VanDerWaalsContact C-N 3.27Å; K206-V208 PolarHBondContact O-N 2.85Å
207S64.8Low70.4Confident116 Ų116141.1 Ų141.181%0.81167%0.669SS**  trans-54.4100.7165.844.10000106.5K205 D209K205-S207 VanDerWaalsContact C-N 3.32Å; K205-S207 PolarHBondContact O-N 3.24Å; S207-D209 PolarHBondContact O-N 3.49Å; S207-D209 VanDerWaalsContact O-N 3.15Å
208V73.4Confident72.6Confident84 Ų84136 Ų13651%0.50965%0.65SS.*  trans-66.8118.9176.7177.40000105.9K206 R210 Y215K206-V208 VanDerWaalsContact C-N 3.27Å; K206-V208 PolarHBondContact O-N 2.85Å; V208-R210 PolarHBondContact O-N 3.43Å; V208-Y215 HydrophobicContact CB-CD2 4.43Å; V208-Y215 HydrophobicContact CG1-CD2 3.58Å; V208-Y215 HydrophobicContact CG1-CG 4.11Å
209D85.6Confident74.8Confident98 Ų98132.2 Ų132.252%0.52463%0.63SS.*  trans-56.8115.8174171.419.7000109.1S207 F211 S212 Y215S207-D209 PolarHBondContact O-N 3.49Å; S207-D209 VanDerWaalsContact O-N 3.15Å; D209-F211 PolarHBondContact O-N 2.87Å; D209-F211 PolarHBondContact OD1-N 2.86Å; D209-S212 VanDerWaalsContact O-CB 3.27Å; D209-S212 WeakPolarHBondContact O-CB 3.37Å; D209-S212 PolarHBondContact O-N 3.39Å; D209-S212 VanDerWaalsContact O-N 3.15Å; D209-S212 PolarHBondContact OD2-N 3.3Å; D209-Y215 WeakPolarHBondContact O-CB 3.24Å
210R87.7Confident77.2Confident177 Ų177127.4 Ų127.467%0.66861%0.606SS**THydrogen-bonded Turntrans-62.8-22.8-175.3-172.1173.9-179.5174.8-0.8112.3V208 Y215V208-R210 PolarHBondContact O-N 3.43Å; R210-Y215 HydrophobicContact CG-CD1 4.39Å; R210-Y215 HydrophobicContact CG-CE1 3.85Å; R210-Y215 WeakPolarHBondContact O-CD1 3.2Å
211F89.8Confident79.8Confident161 Ų161131.6 Ų131.671%0.70660%0.602SS**THydrogen-bonded Turntrans-98.2-7-178.7-57.8-74.3000113.4D209 V213 R216D209-F211 PolarHBondContact O-N 2.87Å; D209-F211 PolarHBondContact OD1-N 2.86Å; F211-V213 PolarHBondContact O-N 3.23Å; F211-R216 PolarHBondContact O-NE 2.98Å; F211-R216 PolarHBondContact O-NH2 2.88Å; F211-R216 VanDerWaalsContact O-NH2 3.08Å
212S95.4Very high82.1Confident40 Ų40122.6 Ų122.628%0.2857%0.574SS.*  trans-54.4137.5174.3175.50000111.2D209 E214 Y215 R216D209-S212 VanDerWaalsContact O-CB 3.27Å; D209-S212 WeakPolarHBondContact O-CB 3.37Å; D209-S212 PolarHBondContact O-N 3.39Å; D209-S212 VanDerWaalsContact O-N 3.15Å; D209-S212 PolarHBondContact OD2-N 3.3Å; S212-E214 PolarHBondContact O-N 3.05Å; S212-E214 PolarHBondContact OG-N 3.41Å; S212-Y215 PolarHBondContact O-N 2.97Å; S212-Y215 VanDerWaalsContact O-N 3.15Å; S212-R216 PolarHBondContact O-N 2.95Å; S212-R216 VanDerWaalsContact O-N 3.09Å
213V94.2Very high84.6Confident88 Ų88117.8 Ų117.853%0.53355%0.553SS.*Hα-helixtrans-57.2-37.4177.1176.60000110.6F211 R216 Q217F211-V213 PolarHBondContact O-N 3.23Å; V213-R216 PolarHBondContact O-N 3.44Å; V213-Q217 WeakPolarHBondContact O-CG 3.44Å; V213-Q217 PolarHBondContact O-N 3.04Å
214E95Very high86.8Confident104 Ų104111.4 Ų111.449%0.48653%0.529SS..Hα-helixtrans-64.9-43.6178-167.1-167177.500112S212 R216 Q217 R218S212-E214 PolarHBondContact O-N 3.05Å; S212-E214 PolarHBondContact OG-N 3.41Å; E214-R216 PolarHBondContact O-N 3.28Å; E214-Q217 PolarHBondContact O-N 3.4Å; E214-R218 WeakPolarHBondContact O-CG 3.23Å; E214-R218 PolarHBondContact O-N 3.16Å; E214-R218 IonicContact OE1-CZ 3.28Å; E214-R218 IonicContact OE1-NE 2.6Å; E214-R218 PolarHBondContact OE1-NE 3.24Å; E214-R218 IonicContact OE1-NH2 3.18Å; E214-R218 PolarHBondContact OE1-NH2 3.24Å
215Y96.1Very high89.3Confident69 Ų69111.9 Ų111.927%0.27153%0.528SS..Hα-helixtrans-60.8-46.3176.7176.4-95.7000111V208 D209 R210 S212 Q217 R218 R219V208-Y215 HydrophobicContact CB-CD2 4.43Å; V208-Y215 HydrophobicContact CG1-CD2 3.58Å; V208-Y215 HydrophobicContact CG1-CG 4.11Å; D209-Y215 WeakPolarHBondContact O-CB 3.24Å; R210-Y215 HydrophobicContact CG-CD1 4.39Å; R210-Y215 HydrophobicContact CG-CE1 3.85Å; R210-Y215 WeakPolarHBondContact O-CD1 3.2Å; S212-Y215 PolarHBondContact O-N 2.97Å; S212-Y215 VanDerWaalsContact O-N 3.15Å; Y215-Q217 PolarHBondContact O-N 3.48Å; Y215-R218 PolarHBondContact O-N 2.91Å; Y215-R219 HydrophobicContact CD1-CG 4.02Å; Y215-R219 HydrophobicContact CD2-CG 4.43Å; Y215-R219 HydrophobicContact CE1-CG 3.56Å; Y215-R219 HydrophobicContact CE2-CG 4.03Å; Y215-R219 HydrophobicContact CG-CG 4.45Å; Y215-R219 WeakPolarHBondContact O-CG 3.48Å; Y215-R219 PolarHBondContact O-N 3.02Å
216R96.4Very high91.4Very high154 Ų154104.8 Ų104.858%0.58150%0.503SS*.Hα-helixtrans-57.8-46.9176.6-80.6-173.9-83175-7.6112.3F211 S212 V213 E214 R218 R219 E220F211-R216 PolarHBondContact O-NE 2.98Å; F211-R216 PolarHBondContact O-NH2 2.88Å; F211-R216 VanDerWaalsContact O-NH2 3.08Å; S212-R216 PolarHBondContact O-N 2.95Å; S212-R216 VanDerWaalsContact O-N 3.09Å; V213-R216 PolarHBondContact O-N 3.44Å; E214-R216 PolarHBondContact O-N 3.28Å; R216-R218 PolarHBondContact O-N 2.75Å; R216-R219 PolarHBondContact O-N 3.32Å; R216-E220 PolarHBondContact O-N 2.88Å
217Q97.2Very high93.3Very high114 Ų114103.5 Ų103.553%0.53349%0.494SS..Hα-helixtrans-62.7-40.2177.2-71.4179.51900112.7V213 E214 Y215 E220 R221V213-Q217 WeakPolarHBondContact O-CG 3.44Å; V213-Q217 PolarHBondContact O-N 3.04Å; E214-Q217 PolarHBondContact O-N 3.4Å; Y215-Q217 PolarHBondContact O-N 3.48Å; Q217-E220 PolarHBondContact O-N 3.42Å; Q217-R221 WeakPolarHBondContact O-CG 3.4Å; Q217-R221 PolarHBondContact O-N 3.33Å
218R97.4Very high94.9Very high125 Ų125105.7 Ų105.747%0.47249%0.489SS..Hα-helixtrans-63.2-42.9175.6-73.6175.9-175.7-165.20.6111.5E214 Y215 R216 N222E214-R218 WeakPolarHBondContact O-CG 3.23Å; E214-R218 PolarHBondContact O-N 3.16Å; E214-R218 IonicContact OE1-CZ 3.28Å; E214-R218 IonicContact OE1-NE 2.6Å; E214-R218 PolarHBondContact OE1-NE 3.24Å; E214-R218 IonicContact OE1-NH2 3.18Å; E214-R218 PolarHBondContact OE1-NH2 3.24Å; Y215-R218 PolarHBondContact O-N 2.91Å; R216-R218 PolarHBondContact O-N 2.75Å; R218-N222 WeakPolarHBondContact O-CB 3.5Å; R218-N222 PolarHBondContact O-N 3.23Å
219R98.1Very high96.2Very high115 Ų115105.6 Ų105.643%0.43449%0.492SS..Hα-helixtrans-65-42.2176.6-69.9-60.3-62.5170.2-0.8111.8Y215 R216 N222 N223Y215-R219 HydrophobicContact CD1-CG 4.02Å; Y215-R219 HydrophobicContact CD2-CG 4.43Å; Y215-R219 HydrophobicContact CE1-CG 3.56Å; Y215-R219 HydrophobicContact CE2-CG 4.03Å; Y215-R219 HydrophobicContact CG-CG 4.45Å; Y215-R219 WeakPolarHBondContact O-CG 3.48Å; Y215-R219 PolarHBondContact O-N 3.02Å; R216-R219 PolarHBondContact O-N 3.32Å; R219-N222 PolarHBondContact O-N 2.94Å; R219-N223 WeakPolarHBondContact O-CB 3.44Å; R219-N223 PolarHBondContact O-N 2.92Å; R219-N223 PolarHBondContact O-ND2 3.43Å
220E97.9Very high96.8Very high91 Ų91108.7 Ų108.743%0.42550%0.496SS..Hα-helixtrans-62.6-46.8177.7-171.952.5-138.800111.5R216 Q217 N222 N223 I224 R227R216-E220 PolarHBondContact O-N 2.88Å; Q217-E220 PolarHBondContact O-N 3.42Å; E220-N222 VanDerWaalsContact C-N 3.3Å; E220-N222 PolarHBondContact O-N 2.98Å; E220-N223 PolarHBondContact O-N 2.9Å; E220-I224 HydrophobicContact CG-CD1 4.21Å; E220-I224 WeakPolarHBondContact O-CG1 3.42Å; E220-I224 PolarHBondContact O-N 3Å; E220-R227 IonicContact OE1-NH2 3.91Å; E220-R227 PolarHBondContact OE1-NH2 3.45Å
221R98.7Very high97.3Very high151 Ų151104.2 Ų104.257%0.5749%0.485SS*.Hα-helixtrans-58.2-42.3174-75.7-174.1-78.2116.7-11.6112.4Q217 I224 A225Q217-R221 WeakPolarHBondContact O-CG 3.4Å; Q217-R221 PolarHBondContact O-N 3.33Å; R221-I224 PolarHBondContact O-N 3.01Å; R221-A225 WeakPolarHBondContact O-CB 3.42Å; R221-A225 PolarHBondContact O-N 3.29Å
222N98.6Very high97.7Very high76 Ų76103.8 Ų103.841%0.40648%0.483SS..Hα-helixtrans-66-42.7177.1-177.6-109000111.9R218 R219 E220 I224 A225 V226R218-N222 WeakPolarHBondContact O-CB 3.5Å; R218-N222 PolarHBondContact O-N 3.23Å; R219-N222 PolarHBondContact O-N 2.94Å; E220-N222 VanDerWaalsContact C-N 3.3Å; E220-N222 PolarHBondContact O-N 2.98Å; N222-I224 VanDerWaalsContact C-N 3.3Å; N222-I224 PolarHBondContact O-N 2.87Å; N222-A225 PolarHBondContact O-N 3.28Å; N222-A225 VanDerWaalsContact O-N 3.15Å; N222-V226 VanDerWaalsContact O-CG2 3.3Å; N222-V226 WeakPolarHBondContact O-CG2 3.4Å; N222-V226 PolarHBondContact O-N 3.07Å
223N98.7Very high97.9Very high63 Ų63104.4 Ų104.434%0.33749%0.49SS..Hα-helixtrans-59.9-41.3176.1-70.2-19.8000111.6R219 E220 V226 R227R219-N223 WeakPolarHBondContact O-CB 3.44Å; R219-N223 PolarHBondContact O-N 2.92Å; R219-N223 PolarHBondContact O-ND2 3.43Å; E220-N223 PolarHBondContact O-N 2.9Å; N223-V226 PolarHBondContact O-N 3.2Å; N223-R227 WeakPolarHBondContact O-CG 3.41Å; N223-R227 PolarHBondContact O-N 2.91Å
224I98.6Very high98.1Very high90 Ų90105.8 Ų105.846%0.46249%0.489SS..Hα-helixtrans-62.9-47173.8-65.2165.4000110.6E220 R221 N222 V226 R227 K228E220-I224 HydrophobicContact CG-CD1 4.21Å; E220-I224 WeakPolarHBondContact O-CG1 3.42Å; E220-I224 PolarHBondContact O-N 3Å; R221-I224 PolarHBondContact O-N 3.01Å; N222-I224 VanDerWaalsContact C-N 3.3Å; N222-I224 PolarHBondContact O-N 2.87Å; I224-V226 VanDerWaalsContact C-N 3.33Å; I224-V226 PolarHBondContact O-N 3.03Å; I224-R227 PolarHBondContact O-N 2.81Å; I224-K228 WeakPolarHBondContact O-CB 3.07Å; I224-K228 PolarHBondContact O-N 3.48Å
225A98.7Very high98.3Very high53 Ų53108 Ų10844%0.43849%0.493SS..Hα-helixtrans-61.5-40.2178.900000112.4R221 N222 K228 S229R221-A225 WeakPolarHBondContact O-CB 3.42Å; R221-A225 PolarHBondContact O-N 3.29Å; N222-A225 PolarHBondContact O-N 3.28Å; N222-A225 VanDerWaalsContact O-N 3.15Å; A225-K228 PolarHBondContact O-N 2.96Å; A225-S229 VanDerWaalsContact O-CB 3.32Å; A225-S229 WeakPolarHBondContact O-CB 3.26Å; A225-S229 PolarHBondContact O-N 3.49Å
226V98.9Very high98.4Very high67 Ų67113.6 Ų113.641%0.40651%0.514SS..Hα-helixtrans-64.4-47176.2170.30000110.6N222 N223 I224 K228 S229 R230N222-V226 VanDerWaalsContact O-CG2 3.3Å; N222-V226 WeakPolarHBondContact O-CG2 3.4Å; N222-V226 PolarHBondContact O-N 3.07Å; N223-V226 PolarHBondContact O-N 3.2Å; I224-V226 VanDerWaalsContact C-N 3.33Å; I224-V226 PolarHBondContact O-N 3.03Å; V226-K228 PolarHBondContact O-N 3.33Å; V226-S229 PolarHBondContact O-N 2.92Å; V226-R230 HydrophobicContact CG1-CG 4.5Å; V226-R230 WeakPolarHBondContact O-CG 3.34Å; V226-R230 PolarHBondContact O-N 2.93Å
227R98.8Very high98.5Very high138 Ų138110.5 Ų110.552%0.52151%0.509SS..Hα-helixtrans-56.1-51.3174.8-76.9-175.6-81.8-159.2-0.6111E220 N223 I224 S229 R230 D231E220-R227 IonicContact OE1-NH2 3.91Å; E220-R227 PolarHBondContact OE1-NH2 3.45Å; N223-R227 WeakPolarHBondContact O-CG 3.41Å; N223-R227 PolarHBondContact O-N 2.91Å; I224-R227 PolarHBondContact O-N 2.81Å; R227-S229 VanDerWaalsContact C-N 3.33Å; R227-S229 PolarHBondContact O-N 3.17Å; R227-R230 PolarHBondContact O-N 3.33Å; R227-R230 VanDerWaalsContact O-N 3.17Å; R227-D231 PolarHBondContact O-N 2.85Å
228K98.8Very high98.6Very high162 Ų162110.4 Ų110.470%0.70451%0.512SS*.Hα-helixtrans-58.4-41.6177.5-172.6175.7-177176.60112.8I224 A225 V226 K232I224-K228 WeakPolarHBondContact O-CB 3.07Å; I224-K228 PolarHBondContact O-N 3.48Å; A225-K228 PolarHBondContact O-N 2.96Å; V226-K228 PolarHBondContact O-N 3.33Å; K228-K232 WeakPolarHBondContact O-CB 3.43Å; K228-K232 PolarHBondContact O-N 2.96Å
229S98.8Very high98.7Very high81 Ų81109.9 Ų109.957%0.56651%0.514SS*.Hα-helixtrans-64.1-45177.3-174.20000111.5A225 V226 R227 K232 A233A225-S229 VanDerWaalsContact O-CB 3.32Å; A225-S229 WeakPolarHBondContact O-CB 3.26Å; A225-S229 PolarHBondContact O-N 3.49Å; V226-S229 PolarHBondContact O-N 2.92Å; R227-S229 VanDerWaalsContact C-N 3.33Å; R227-S229 PolarHBondContact O-N 3.17Å; S229-K232 PolarHBondContact O-N 2.96Å; S229-A233 PolarHBondContact O-N 2.94Å
230R98.9Very high98.7Very high164 Ų164110 Ų11062%0.61952%0.521SS*.Hα-helixtrans-61.9-44.7176.4-70.9178.673.4-179.63.3111.8V226 R227 K232 A233 K234V226-R230 HydrophobicContact CG1-CG 4.5Å; V226-R230 WeakPolarHBondContact O-CG 3.34Å; V226-R230 PolarHBondContact O-N 2.93Å; R227-R230 PolarHBondContact O-N 3.33Å; R227-R230 VanDerWaalsContact O-N 3.17Å; R230-K232 VanDerWaalsContact C-N 3.33Å; R230-K232 PolarHBondContact O-N 3.18Å; R230-A233 PolarHBondContact O-N 3.25Å; R230-K234 WeakPolarHBondContact O-CG 3.48Å; R230-K234 PolarHBondContact O-N 2.96Å
231D98.8Very high98.7Very high83 Ų83111.1 Ų111.144%0.44453%0.527SS..Hα-helixtrans-67.5-36.4179.5-65.1-23.9000111.7R227 K234 R235R227-D231 PolarHBondContact O-N 2.85Å; D231-K234 PolarHBondContact O-N 3.01Å; D231-R235 WeakPolarHBondContact O-CB 3.38Å; D231-R235 PolarHBondContact O-N 3.46Å
232K98.8Very high98.7Very high152 Ų152108.6 Ų108.666%0.66152%0.521SS*.Hα-helixtrans-62.1-43.6172.2-172.8178.4-179-177.20111.5K228 S229 R230 R235 R236K228-K232 WeakPolarHBondContact O-CB 3.43Å; K228-K232 PolarHBondContact O-N 2.96Å; S229-K232 PolarHBondContact O-N 2.96Å; R230-K232 VanDerWaalsContact C-N 3.33Å; R230-K232 PolarHBondContact O-N 3.18Å; K232-R235 PolarHBondContact O-N 2.98Å; K232-R236 WeakPolarHBondContact O-CB 3.29Å; K232-R236 PolarHBondContact O-N 3.21Å
233A98.8Very high98.8Very high52 Ų52109.8 Ų109.843%0.4352%0.523SS..Hα-helixtrans-64.3-44.117700000111.8S229 R230 R235 R236 N237S229-A233 PolarHBondContact O-N 2.94Å; R230-A233 PolarHBondContact O-N 3.25Å; A233-R235 PolarHBondContact O-N 2.96Å; A233-R236 PolarHBondContact O-N 3.05Å; A233-N237 PolarHBondContact O-N 3.07Å
234K98.8Very high98.8Very high118 Ų118113 Ų11351%0.51354%0.537SS..Hα-helixtrans-59-46.2174.1-73177.5179.4179.90111.8R230 D231 N237 L238R230-K234 WeakPolarHBondContact O-CG 3.48Å; R230-K234 PolarHBondContact O-N 2.96Å; D231-K234 PolarHBondContact O-N 3.01Å; K234-N237 PolarHBondContact O-N 2.96Å; K234-L238 WeakPolarHBondContact O-CG 3.42Å; K234-L238 PolarHBondContact O-N 3.44Å
235R98.7Very high98.8Very high149 Ų149113.1 Ų113.156%0.56254%0.538SS*.Hα-helixtrans-60.4-46.5177.3-172.4-178.3-62.5127.84.8111.5D231 K232 A233 N237 L238 E239D231-R235 WeakPolarHBondContact O-CB 3.38Å; D231-R235 PolarHBondContact O-N 3.46Å; K232-R235 PolarHBondContact O-N 2.98Å; A233-R235 PolarHBondContact O-N 2.96Å; R235-N237 VanDerWaalsContact C-N 3.28Å; R235-N237 PolarHBondContact O-N 3.28Å; R235-L238 PolarHBondContact O-N 3.43Å; R235-L238 VanDerWaalsContact O-N 3.16Å; R235-E239 WeakPolarHBondContact CD-OE1 3.34Å; R235-E239 HydrophobicContact CG-CG 4.27Å; R235-E239 VanDerWaalsContact CG-OE1 3.28Å; R235-E239 WeakPolarHBondContact CG-OE1 3.38Å; R235-E239 WeakPolarHBondContact O-CB 3.39Å; R235-E239 WeakPolarHBondContact O-CG 3.37Å; R235-E239 PolarHBondContact O-N 3.19Å
236R98.7Very high98.8Very high188 Ų188114.5 Ų114.571%0.70954%0.535SS*.Hα-helixtrans-57.5-41.3176.5-174-174.8-179.3-167.30.3112K232 A233 E239 M240K232-R236 WeakPolarHBondContact O-CB 3.29Å; K232-R236 PolarHBondContact O-N 3.21Å; A233-R236 PolarHBondContact O-N 3.05Å; R236-E239 PolarHBondContact O-N 3.41Å; R236-M240 WeakPolarHBondContact O-CB 3.28Å; R236-M240 PolarHBondContact O-N 3.39Å
237N98.7Very high98.8Very high89 Ų89115.5 Ų115.548%0.47654%0.538SS..Hα-helixtrans-65.9-41.2177.8-72.3-14.8000112.1A233 K234 R235 M240 Q241A233-N237 PolarHBondContact O-N 3.07Å; K234-N237 PolarHBondContact O-N 2.96Å; R235-N237 VanDerWaalsContact C-N 3.28Å; R235-N237 PolarHBondContact O-N 3.28Å; N237-M240 PolarHBondContact O-N 3.15Å; N237-Q241 WeakPolarHBondContact O-CG 3.48Å; N237-Q241 PolarHBondContact O-N 2.96Å
238L98.8Very high98.8Very high112 Ų112111.8 Ų111.859%0.58653%0.533SS*.Hα-helixtrans-65.7-44.5175.2-69.5171000111.9K234 R235 M240 Q241 Q242K234-L238 WeakPolarHBondContact O-CG 3.42Å; K234-L238 PolarHBondContact O-N 3.44Å; R235-L238 PolarHBondContact O-N 3.43Å; R235-L238 VanDerWaalsContact O-N 3.16Å; L238-M240 VanDerWaalsContact C-N 3.28Å; L238-M240 PolarHBondContact O-N 3.39Å; L238-Q241 PolarHBondContact O-N 3.34Å; L238-Q242 WeakPolarHBondContact O-CB 3.41Å; L238-Q242 PolarHBondContact O-N 3.41Å
239E98.6Very high98.8Very high114 Ų114107.7 Ų107.753%0.53352%0.519SS..Hα-helixtrans-59-40.3175.3-73.8168.2-178.900111.4R235 R236 Q242 K243R235-E239 WeakPolarHBondContact CD-OE1 3.34Å; R235-E239 HydrophobicContact CG-CG 4.27Å; R235-E239 VanDerWaalsContact CG-OE1 3.28Å; R235-E239 WeakPolarHBondContact CG-OE1 3.38Å; R235-E239 WeakPolarHBondContact O-CB 3.39Å; R235-E239 WeakPolarHBondContact O-CG 3.37Å; R235-E239 PolarHBondContact O-N 3.19Å; R236-E239 PolarHBondContact O-N 3.41Å; E239-Q242 PolarHBondContact O-N 3.44Å; E239-K243 WeakPolarHBondContact O-CB 3.36Å; E239-K243 PolarHBondContact O-N 3.29Å
240M98.8Very high98.7Very high117 Ų117108.9 Ų108.958%0.57652%0.516SS*.Hα-helixtrans-64-45.4175.6179.7179.968.400112.2R236 N237 L238 K243 M244R236-M240 WeakPolarHBondContact O-CB 3.28Å; R236-M240 PolarHBondContact O-N 3.39Å; N237-M240 PolarHBondContact O-N 3.15Å; L238-M240 VanDerWaalsContact C-N 3.28Å; L238-M240 PolarHBondContact O-N 3.39Å; M240-K243 PolarHBondContact O-N 2.93Å; M240-M244 PolarHBondContact O-N 3.49Å
241Q98.8Very high98.7Very high115 Ų115105.2 Ų105.254%0.53751%0.508SS..Hα-helixtrans-62-44175.6-73.2176.7-11.200111.5N237 L238 K243 M244 I245N237-Q241 WeakPolarHBondContact O-CG 3.48Å; N237-Q241 PolarHBondContact O-N 2.96Å; L238-Q241 PolarHBondContact O-N 3.34Å; Q241-K243 VanDerWaalsContact C-N 3.33Å; Q241-K243 PolarHBondContact O-N 3.02Å; Q241-M244 WeakPolarHBondContact O-CB 3.35Å; Q241-M244 PolarHBondContact O-N 2.82Å; Q241-I245 WeakPolarHBondContact O-CG1 3.36Å; Q241-I245 PolarHBondContact O-N 2.83Å; Q241-I245 VanDerWaalsContact O-N 3.15Å
242Q98.8Very high98.7Very high98 Ų98106 Ų10646%0.45851%0.509SS..Hα-helixtrans-59.5-44.6175.4179.958.732.300111.3L238 E239 M244 I245 E246L238-Q242 WeakPolarHBondContact O-CB 3.41Å; L238-Q242 PolarHBondContact O-N 3.41Å; E239-Q242 PolarHBondContact O-N 3.44Å; Q242-M244 VanDerWaalsContact C-N 3.32Å; Q242-M244 PolarHBondContact O-N 3.19Å; Q242-I245 PolarHBondContact O-N 3.49Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.36Å; Q242-E246 PolarHBondContact NE2-OE1 2.98Å; Q242-E246 WeakPolarHBondContact O-CG 3.41Å; Q242-E246 PolarHBondContact O-N 3.02Å
243K98.8Very high98.7Very high100 Ų100105.4 Ų105.444%0.43551%0.506SS..Hα-helixtrans-64.6-36.2178.4-172.357.4177.2172.40112.6E239 M240 Q241 I245 E246 L247E239-K243 WeakPolarHBondContact O-CB 3.36Å; E239-K243 PolarHBondContact O-N 3.29Å; M240-K243 PolarHBondContact O-N 2.93Å; Q241-K243 VanDerWaalsContact C-N 3.33Å; Q241-K243 PolarHBondContact O-N 3.02Å; K243-I245 VanDerWaalsContact C-N 3.34Å; K243-E246 IonicContact NZ-OE2 3.05Å; K243-E246 PolarHBondContact O-N 3.37Å; K243-L247 HydrophobicContact CD-CD1 4.44Å; K243-L247 HydrophobicContact CD-CG 4.26Å; K243-L247 HydrophobicContact CG-CD1 4.08Å; K243-L247 HydrophobicContact CG-CG 4.36Å; K243-L247 WeakPolarHBondContact O-CB 3.47Å; K243-L247 VanDerWaalsContact O-CG 3.29Å; K243-L247 WeakPolarHBondContact O-CG 3.41Å; K243-L247 PolarHBondContact O-N 2.88Å
244M98.8Very high98.7Very high132 Ų132107.4 Ų107.465%0.6551%0.51SS*.Hα-helixtrans-60.5-44.8174.2-177.2-173.3-73.800111.2M240 Q241 Q242 L247 S248M240-M244 PolarHBondContact O-N 3.49Å; Q241-M244 WeakPolarHBondContact O-CB 3.35Å; Q241-M244 PolarHBondContact O-N 2.82Å; Q242-M244 VanDerWaalsContact C-N 3.32Å; Q242-M244 PolarHBondContact O-N 3.19Å; M244-L247 PolarHBondContact O-N 3.22Å; M244-S248 WeakPolarHBondContact O-CB 3.26Å; M244-S248 PolarHBondContact O-N 3.46Å
245I98.8Very high98.7Very high91 Ų91107.3 Ų107.347%0.46751%0.511SS..Hα-helixtrans-64.2-45.4177.2-64.7166.2000110.7Q241 Q242 K243 L247 S248 N249Q241-I245 WeakPolarHBondContact O-CG1 3.36Å; Q241-I245 PolarHBondContact O-N 2.83Å; Q241-I245 VanDerWaalsContact O-N 3.15Å; Q242-I245 PolarHBondContact O-N 3.49Å; K243-I245 VanDerWaalsContact C-N 3.34Å; I245-L247 PolarHBondContact O-N 3.26Å; I245-S248 PolarHBondContact O-N 3.44Å; I245-N249 VanDerWaalsContact O-CG 3.26Å; I245-N249 PolarHBondContact O-N 3.26Å; I245-N249 PolarHBondContact O-ND2 2.99Å
246E98.7Very high98.7Very high83 Ų83106.5 Ų106.539%0.38851%0.511SS..Hα-helixtrans-58.3-47.8177.5-74.4170.7-167.300112.3Q242 K243 N249 E250Q242-E246 WeakPolarHBondContact CG-OE1 3.36Å; Q242-E246 PolarHBondContact NE2-OE1 2.98Å; Q242-E246 WeakPolarHBondContact O-CG 3.41Å; Q242-E246 PolarHBondContact O-N 3.02Å; K243-E246 IonicContact NZ-OE2 3.05Å; K243-E246 PolarHBondContact O-N 3.37Å; E246-N249 PolarHBondContact O-N 2.92Å; E246-E250 WeakPolarHBondContact O-CB 3.33Å; E246-E250 PolarHBondContact O-N 3.43Å
247L98.8Very high98.7Very high88 Ų88100.9 Ų100.946%0.46150%0.498SS..Hα-helixtrans-65.4-38.6178.1-71173000111.8K243 M244 I245 E250 N251K243-L247 HydrophobicContact CD-CD1 4.44Å; K243-L247 HydrophobicContact CD-CG 4.26Å; K243-L247 HydrophobicContact CG-CD1 4.08Å; K243-L247 HydrophobicContact CG-CG 4.36Å; K243-L247 WeakPolarHBondContact O-CB 3.47Å; K243-L247 VanDerWaalsContact O-CG 3.29Å; K243-L247 WeakPolarHBondContact O-CG 3.41Å; K243-L247 PolarHBondContact O-N 2.88Å; M244-L247 PolarHBondContact O-N 3.22Å; I245-L247 PolarHBondContact O-N 3.26Å; L247-E250 PolarHBondContact O-N 3.43Å; L247-N251 VanDerWaalsContact O-CB 3.26Å; L247-N251 WeakPolarHBondContact O-CB 3.04Å; L247-N251 PolarHBondContact O-N 2.92Å
248S98.7Very high98.7Very high60 Ų60101.3 Ų101.342%0.4250%0.499SS..Hα-helixtrans-59.6-47.5174.4-168.30000111.2M244 I245 E250 N251 E252M244-S248 WeakPolarHBondContact O-CB 3.26Å; M244-S248 PolarHBondContact O-N 3.46Å; I245-S248 PolarHBondContact O-N 3.44Å; S248-E250 PolarHBondContact O-N 3.08Å; S248-N251 PolarHBondContact O-N 2.91Å; S248-E252 WeakPolarHBondContact O-CG 3.46Å; S248-E252 PolarHBondContact O-N 3.12Å
249N98.8Very high98.7Very high76 Ų76100.8 Ų100.841%0.40649%0.494SS..Hα-helixtrans-63.8-39.3178.2-69.6-25.7000112.4I245 E246 K253I245-N249 VanDerWaalsContact O-CG 3.26Å; I245-N249 PolarHBondContact O-N 3.26Å; I245-N249 PolarHBondContact O-ND2 2.99Å; E246-N249 PolarHBondContact O-N 2.92Å; N249-K253 VanDerWaalsContact O-CG 3.3Å; N249-K253 WeakPolarHBondContact O-CG 3.32Å; N249-K253 PolarHBondContact O-N 3.44Å; N249-K253 VanDerWaalsContact O-N 3.16Å
250E98.7Very high98.7Very high106 Ų106100 Ų10050%0.49549%0.49SS..Hα-helixtrans-66.5-42.4175.7-173.8169.8-166.100111.4E246 L247 S248 E252 K253 L254E246-E250 WeakPolarHBondContact O-CB 3.33Å; E246-E250 PolarHBondContact O-N 3.43Å; L247-E250 PolarHBondContact O-N 3.43Å; S248-E250 PolarHBondContact O-N 3.08Å; E250-E252 PolarHBondContact O-N 2.89Å; E250-K253 WeakPolarHBondContact O-CB 3.3Å; E250-K253 PolarHBondContact O-N 3.14Å; E250-L254 HydrophobicContact CG-CD1 4.46Å; E250-L254 WeakPolarHBondContact O-CG 3.44Å; E250-L254 PolarHBondContact O-N 3.08Å
251N98.6Very high98.7Very high86 Ų8698.7 Ų98.746%0.4649%0.485SS..Hα-helixtrans-62.6-44.6177.5-161.1-3.8000111.6L247 S248 K253 L254 H255L247-N251 VanDerWaalsContact O-CB 3.26Å; L247-N251 WeakPolarHBondContact O-CB 3.04Å; L247-N251 PolarHBondContact O-N 2.92Å; S248-N251 PolarHBondContact O-N 2.91Å; N251-K253 VanDerWaalsContact C-N 3.3Å; N251-K253 PolarHBondContact O-N 3.04Å; N251-L254 PolarHBondContact O-N 3.4Å; N251-H255 PolarHBondContact O-CD2 3.45Å; N251-H255 VanDerWaalsContact O-CD2 3.22Å; N251-H255 PolarHBondContact O-N 3.03Å; N251-H255 PolarHBondContact OD1-CD2 3.09Å; N251-H255 PolarHBondContact OD1-NE2 3.5Å
252E98.7Very high98.7Very high99 Ų9996.7 Ų96.746%0.46348%0.481SS..Hα-helixtrans-58.5-40.1173.3-75.4179.6-15600112.8S248 E250 H255 K256S248-E252 WeakPolarHBondContact O-CG 3.46Å; S248-E252 PolarHBondContact O-N 3.12Å; E250-E252 PolarHBondContact O-N 2.89Å; E252-H255 PolarHBondContact O-N 3.39Å; E252-K256 WeakPolarHBondContact O-CG 3.46Å; E252-K256 PolarHBondContact O-N 3.15Å
253K98.8Very high98.7Very high140 Ų14098.9 Ų98.961%0.60949%0.485SS*.Hα-helixtrans-64.3-44.6175.7-72.7170.2-175.5176.80111.2N249 E250 N251 H255 K256 T257N249-K253 VanDerWaalsContact O-CG 3.3Å; N249-K253 WeakPolarHBondContact O-CG 3.32Å; N249-K253 PolarHBondContact O-N 3.44Å; N249-K253 VanDerWaalsContact O-N 3.16Å; E250-K253 WeakPolarHBondContact O-CB 3.3Å; E250-K253 PolarHBondContact O-N 3.14Å; N251-K253 VanDerWaalsContact C-N 3.3Å; N251-K253 PolarHBondContact O-N 3.04Å; K253-H255 VanDerWaalsContact C-N 3.34Å; K253-H255 PolarHBondContact O-N 3.45Å; K253-K256 PolarHBondContact O-N 3.28Å; K253-T257 PolarHBondContact O-N 2.91Å; K253-T257 PolarHBondContact O-OG1 3.05Å; K253-T257 VanDerWaalsContact O-OG1 3.1Å
254L98.8Very high98.7Very high95 Ų9598.7 Ų98.750%0.49749%0.486SS..Hα-helixtrans-61.2-44176.8-69.9173.2000111.2E250 N251 K256 T257 I258E250-L254 HydrophobicContact CG-CD1 4.46Å; E250-L254 WeakPolarHBondContact O-CG 3.44Å; E250-L254 PolarHBondContact O-N 3.08Å; N251-L254 PolarHBondContact O-N 3.4Å; L254-K256 VanDerWaalsContact C-N 3.35Å; L254-K256 PolarHBondContact O-N 3.37Å; L254-T257 PolarHBondContact O-N 3.3Å; L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.31Å; L254-I258 PolarHBondContact O-N 3.19Å
255H98.7Very high98.6Very high116 Ų11697 Ų9754%0.53748%0.479SS..Hα-helixtrans-58.4-43.7174.7-81.3-62.4000112.5N251 E252 K253 T257 I258 E259N251-H255 PolarHBondContact O-CD2 3.45Å; N251-H255 VanDerWaalsContact O-CD2 3.22Å; N251-H255 PolarHBondContact O-N 3.03Å; N251-H255 PolarHBondContact OD1-CD2 3.09Å; N251-H255 PolarHBondContact OD1-NE2 3.5Å; E252-H255 PolarHBondContact O-N 3.39Å; K253-H255 VanDerWaalsContact C-N 3.34Å; K253-H255 PolarHBondContact O-N 3.45Å; H255-T257 PolarHBondContact O-N 3.36Å; H255-I258 PolarHBondContact O-N 3.44Å; H255-E259 WeakPolarHBondContact O-CB 3.24Å; H255-E259 PolarHBondContact O-N 3.15Å
256K98.8Very high98.6Very high131 Ų13196.6 Ų96.657%0.5748%0.48SS*.Hα-helixtrans-62.3-41.6175.4-73.3171.9-177.7167.70112.4E252 K253 L254 E259 Q260E252-K256 WeakPolarHBondContact O-CG 3.46Å; E252-K256 PolarHBondContact O-N 3.15Å; K253-K256 PolarHBondContact O-N 3.28Å; L254-K256 VanDerWaalsContact C-N 3.35Å; L254-K256 PolarHBondContact O-N 3.37Å; K256-E259 PolarHBondContact O-N 3.22Å; K256-Q260 WeakPolarHBondContact O-CB 3.48Å; K256-Q260 PolarHBondContact O-N 2.98Å
257T98.6Very high98.5Very high71 Ų7194.7 Ų94.744%0.43648%0.483SS..Hα-helixtrans-63.5-44.8175.9-57.60000111.2K253 L254 H255 E259 Q260 L261K253-T257 PolarHBondContact O-N 2.91Å; K253-T257 PolarHBondContact O-OG1 3.05Å; K253-T257 VanDerWaalsContact O-OG1 3.1Å; L254-T257 PolarHBondContact O-N 3.3Å; H255-T257 PolarHBondContact O-N 3.36Å; T257-E259 PolarHBondContact O-N 2.97Å; T257-Q260 PolarHBondContact O-N 3.49Å; T257-L261 HydrophobicContact CG2-CD1 4.01Å; T257-L261 HydrophobicContact CG2-CG 4.44Å; T257-L261 WeakPolarHBondContact O-CG 3.43Å; T257-L261 PolarHBondContact O-N 2.89Å
258I98.8Very high98.4Very high98 Ų9895.1 Ų95.150%0.50349%0.485SS..Hα-helixtrans-60.6-46.6176.4-70.3166.7000110.4L254 H255 Q260 L261 T262L254-I258 VanDerWaalsContact O-CG1 3.31Å; L254-I258 WeakPolarHBondContact O-CG1 3.31Å; L254-I258 PolarHBondContact O-N 3.19Å; H255-I258 PolarHBondContact O-N 3.44Å; I258-Q260 PolarHBondContact O-N 3.38Å; I258-L261 PolarHBondContact O-N 3.02Å; I258-T262 VanDerWaalsContact O-CB 3.23Å; I258-T262 WeakPolarHBondContact O-CB 3.46Å; I258-T262 PolarHBondContact O-N 3.07Å; I258-T262 PolarHBondContact O-OG1 3.48Å
259E98.7Very high98.2Very high101 Ų101101 Ų10147%0.47250%0.498SS..Hα-helixtrans-61.6-43.2178.2-166.5-168158.100111.6H255 K256 T257 T262 R263H255-E259 WeakPolarHBondContact O-CB 3.24Å; H255-E259 PolarHBondContact O-N 3.15Å; K256-E259 PolarHBondContact O-N 3.22Å; T257-E259 PolarHBondContact O-N 2.97Å; E259-T262 PolarHBondContact O-N 3.24Å; E259-R263 WeakPolarHBondContact O-CG 3.36Å; E259-R263 PolarHBondContact O-N 3.45Å; E259-R263 IonicContact OE1-CZ 3.5Å; E259-R263 IonicContact OE1-NH1 2.7Å; E259-R263 PolarHBondContact OE1-NH1 3.18Å; E259-R263 IonicContact OE1-NH2 3.81Å
260Q98.6Very high98Very high96 Ų96101.3 Ų101.345%0.44950%0.498SS..Hα-helixtrans-59.4-54.7175.2178.1-177.5-12.100111.6K256 T257 I258 T262 R263 E264K256-Q260 WeakPolarHBondContact O-CB 3.48Å; K256-Q260 PolarHBondContact O-N 2.98Å; T257-Q260 PolarHBondContact O-N 3.49Å; I258-Q260 PolarHBondContact O-N 3.38Å; Q260-T262 PolarHBondContact O-N 3.07Å; Q260-R263 WeakPolarHBondContact O-CB 3.07Å; Q260-R263 PolarHBondContact O-N 3.34Å; Q260-R263 VanDerWaalsContact O-N 3.1Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.44Å; Q260-E264 PolarHBondContact NE2-OE1 2.99Å; Q260-E264 PolarHBondContact O-N 3.36Å
261L98.6Very high97.8Very high90 Ų90102.1 Ų102.147%0.47150%0.5SS..Hα-helixtrans-61.9-35.4-179.3-67.9173.7000111.5T257 I258 E264 L265T257-L261 HydrophobicContact CG2-CD1 4.01Å; T257-L261 HydrophobicContact CG2-CG 4.44Å; T257-L261 WeakPolarHBondContact O-CG 3.43Å; T257-L261 PolarHBondContact O-N 2.89Å; I258-L261 PolarHBondContact O-N 3.02Å; L261-E264 PolarHBondContact O-N 3.28Å; L261-L265 WeakPolarHBondContact O-CB 3.39Å; L261-L265 VanDerWaalsContact O-CG 3.31Å; L261-L265 WeakPolarHBondContact O-CG 3.49Å; L261-L265 PolarHBondContact O-N 3.15Å
262T98.4Very high97.6Very high74 Ų74104.8 Ų104.845%0.45451%0.507SS..Hα-helixtrans-64.4-42.7175.7-59.40000111I258 E259 Q260 T266I258-T262 VanDerWaalsContact O-CB 3.23Å; I258-T262 WeakPolarHBondContact O-CB 3.46Å; I258-T262 PolarHBondContact O-N 3.07Å; I258-T262 PolarHBondContact O-OG1 3.48Å; E259-T262 PolarHBondContact O-N 3.24Å; Q260-T262 PolarHBondContact O-N 3.07Å; T262-T266 WeakPolarHBondContact O-CB 3.39Å; T262-T266 PolarHBondContact O-N 2.83Å; T262-T266 PolarHBondContact O-OG1 3.23Å
263R98.4Very high97.2Very high143 Ų143108 Ų10854%0.5452%0.52SS..Hα-helixtrans-63.1-45.2174-76.7-171-70.4-119.1-8111.8E259 Q260 T266 G267E259-R263 WeakPolarHBondContact O-CG 3.36Å; E259-R263 PolarHBondContact O-N 3.45Å; E259-R263 IonicContact OE1-CZ 3.5Å; E259-R263 IonicContact OE1-NH1 2.7Å; E259-R263 PolarHBondContact OE1-NH1 3.18Å; E259-R263 IonicContact OE1-NH2 3.81Å; Q260-R263 WeakPolarHBondContact O-CB 3.07Å; Q260-R263 PolarHBondContact O-N 3.34Å; Q260-R263 VanDerWaalsContact O-N 3.1Å; R263-T266 PolarHBondContact O-N 3.44Å; R263-G267 PolarHBondContact O-N 2.6Å
264E98.1Very high96.6Very high97 Ų97108 Ų10845%0.45352%0.522SS..Hα-helixtrans-61.3-47.6178.1-71.4176.5-164.500111.6Q260 L261 T266 G267 L268Q260-E264 WeakPolarHBondContact CG-OE1 3.44Å; Q260-E264 PolarHBondContact NE2-OE1 2.99Å; Q260-E264 PolarHBondContact O-N 3.36Å; L261-E264 PolarHBondContact O-N 3.28Å; E264-T266 VanDerWaalsContact C-N 3.34Å; E264-T266 PolarHBondContact O-N 3.02Å; E264-G267 PolarHBondContact O-N 2.86Å; E264-L268 WeakPolarHBondContact O-CG 3.41Å; E264-L268 PolarHBondContact O-N 2.73Å
265L98.3Very high95.7Very high97 Ų97108.2 Ų108.251%0.50852%0.522SS..Hα-helixtrans-62.2-40.1176.1-73.4177000112.5L261 L268 R269L261-L265 WeakPolarHBondContact O-CB 3.39Å; L261-L265 VanDerWaalsContact O-CG 3.31Å; L261-L265 WeakPolarHBondContact O-CG 3.49Å; L261-L265 PolarHBondContact O-N 3.15Å; L265-L268 PolarHBondContact O-N 2.97Å; L265-R269 WeakPolarHBondContact O-CB 3.13Å; L265-R269 VanDerWaalsContact O-CG 3.28Å; L265-R269 WeakPolarHBondContact O-CG 3.42Å; L265-R269 PolarHBondContact O-N 2.84Å
266T97.6Very high94.6Very high81 Ų81107.7 Ų107.750%0.49753%0.529SS..Hα-helixtrans-65.4-43.8176.8-56.80000110.6T262 R263 E264 L268 R269 E270T262-T266 WeakPolarHBondContact O-CB 3.39Å; T262-T266 PolarHBondContact O-N 2.83Å; T262-T266 PolarHBondContact O-OG1 3.23Å; R263-T266 PolarHBondContact O-N 3.44Å; E264-T266 VanDerWaalsContact C-N 3.34Å; E264-T266 PolarHBondContact O-N 3.02Å; T266-L268 PolarHBondContact O-N 3.41Å; T266-R269 PolarHBondContact O-N 3.16Å; T266-E270 WeakPolarHBondContact O-CB 3.49Å; T266-E270 PolarHBondContact O-N 2.72Å
267G97.1Very high92.8Very high44 Ų44107.1 Ų107.145%0.45454%0.541SS..Hα-helixtrans-60.1-44.1175.100000112.5R263 E264 E270 F271R263-G267 PolarHBondContact O-N 2.6Å; E264-G267 PolarHBondContact O-N 2.86Å; G267-E270 PolarHBondContact O-N 3.36Å; G267-F271 WeakPolarHBondContact O-CB 3.27Å; G267-F271 PolarHBondContact O-N 3.16Å
268L96.9Very high90.7Very high96 Ų96107.8 Ų107.850%0.50355%0.554SS.*Hα-helixtrans-63.7-43.4175.7-72.4172.8000112.2E264 L265 T266 E270 F271 F272E264-L268 WeakPolarHBondContact O-CG 3.41Å; E264-L268 PolarHBondContact O-N 2.73Å; L265-L268 PolarHBondContact O-N 2.97Å; T266-L268 PolarHBondContact O-N 3.41Å; L268-E270 VanDerWaalsContact C-N 3.32Å; L268-E270 PolarHBondContact O-N 2.79Å; L268-F271 WeakPolarHBondContact O-CB 3.48Å; L268-F271 PolarHBondContact O-N 2.84Å; L268-F272 VanDerWaalsContact O-CD2 3.27Å; L268-F272 WeakPolarHBondContact O-CD2 3.48Å; L268-F272 PolarHBondContact O-N 2.84Å
269R95.1Very high88.6Confident183 Ų183108.9 Ų108.969%0.69157%0.57SS**Hα-helixtrans-60.1-44176-77.2174.6179.2173.91111.5L265 T266 F272 K273L265-R269 WeakPolarHBondContact O-CB 3.13Å; L265-R269 VanDerWaalsContact O-CG 3.28Å; L265-R269 WeakPolarHBondContact O-CG 3.42Å; L265-R269 PolarHBondContact O-N 2.84Å; T266-R269 PolarHBondContact O-N 3.16Å; R269-F272 PolarHBondContact O-N 2.98Å; R269-K273 WeakPolarHBondContact O-CB 3.21Å; R269-K273 PolarHBondContact O-N 2.79Å
270E94.5Very high86.5Confident84 Ų84113.8 Ų113.839%0.39359%0.59SS.*Hα-helixtrans-66.5-40.1178-172.556.3-153.100111.4T266 G267 L268 F272 K273 Q274T266-E270 WeakPolarHBondContact O-CB 3.49Å; T266-E270 PolarHBondContact O-N 2.72Å; G267-E270 PolarHBondContact O-N 3.36Å; L268-E270 VanDerWaalsContact C-N 3.32Å; L268-E270 PolarHBondContact O-N 2.79Å; E270-F272 PolarHBondContact O-N 2.81Å; E270-K273 PolarHBondContact O-N 2.82Å; E270-Q274 WeakPolarHBondContact O-CG 3.36Å; E270-Q274 PolarHBondContact O-N 3.11Å; E270-Q274 PolarHBondContact OE1-NE2 3.44Å
271F94.7Very high84.2Confident122 Ų122114 Ų11454%0.53561%0.608SS.*Hα-helixtrans-58.5-47.5173.2179-96.6000112.4G267 L268 K273 Q274 M275G267-F271 WeakPolarHBondContact O-CB 3.27Å; G267-F271 PolarHBondContact O-N 3.16Å; L268-F271 WeakPolarHBondContact O-CB 3.48Å; L268-F271 PolarHBondContact O-N 2.84Å; F271-K273 VanDerWaalsContact C-N 3.3Å; F271-K273 PolarHBondContact O-N 2.98Å; F271-Q274 PolarHBondContact O-N 3.3Å; F271-M275 HydrophobicContact CD1-CG 4.49Å; F271-M275 HydrophobicContact CE1-CG 4.17Å; F271-M275 HydrophobicContact CE1-SD 4.28Å; F271-M275 HydrophobicContact CZ-CG 4.44Å; F271-M275 HydrophobicContact CZ-SD 4.33Å; F271-M275 WeakPolarHBondContact O-CG 2.98Å; F271-M275 PolarHBondContact O-N 2.92Å; F271-M275 VanDerWaalsContact O-N 3.13Å
272F92.8Very high82Confident142 Ų142113.2 Ų113.262%0.62362%0.622SS**Hα-helixtrans-66.3-31.1176.4-85-70.5000113.2L268 R269 E270 M275L268-F272 VanDerWaalsContact O-CD2 3.27Å; L268-F272 WeakPolarHBondContact O-CD2 3.48Å; L268-F272 PolarHBondContact O-N 2.84Å; R269-F272 PolarHBondContact O-N 2.98Å; E270-F272 PolarHBondContact O-N 2.81Å; F272-M275 PolarHBondContact O-N 3.45Å
273K91.3Very high79.6Confident167 Ų167115.3 Ų115.373%0.72664%0.64SS**Hα-helixtrans-72.3-31.8177.2-168.5-179177.6-170.10112.5R269 E270 F271R269-K273 WeakPolarHBondContact O-CB 3.21Å; R269-K273 PolarHBondContact O-N 2.79Å; E270-K273 PolarHBondContact O-N 2.82Å; F271-K273 VanDerWaalsContact C-N 3.3Å; F271-K273 PolarHBondContact O-N 2.98Å
274Q86.3Confident77.4Confident139 Ų139113.4 Ų113.465%0.6566%0.655SS**Hα-helixtrans-81.2-18.7176.1-68.6178.724.300113.1E270 F271 P276E270-Q274 WeakPolarHBondContact O-CG 3.36Å; E270-Q274 PolarHBondContact O-N 3.11Å; E270-Q274 PolarHBondContact OE1-NE2 3.44Å; F271-Q274 PolarHBondContact O-N 3.3Å; Q274-P276 WeakPolarHBondContact O-CD 3.28Å
275M80.2Confident75.1Confident101 Ų101114.4 Ų114.450%0.49867%0.672SS.*SBendtrans-66.4125172.8-75.8-109.9-71.500110.5F271 F272 S277F271-M275 HydrophobicContact CD1-CG 4.49Å; F271-M275 HydrophobicContact CE1-CG 4.17Å; F271-M275 HydrophobicContact CE1-SD 4.28Å; F271-M275 HydrophobicContact CZ-CG 4.44Å; F271-M275 HydrophobicContact CZ-SD 4.33Å; F271-M275 WeakPolarHBondContact O-CG 2.98Å; F271-M275 PolarHBondContact O-N 2.92Å; F271-M275 VanDerWaalsContact O-N 3.13Å; F272-M275 PolarHBondContact O-N 3.45Å; M275-S277 PolarHBondContact O-N 3.28Å
276P74.9Confident72.9Confident105 Ų105115 Ų11568%0.68268%0.684SS**  trans-57.9137.1174.3-20.130.6000110.4Q274 A278Q274-P276 WeakPolarHBondContact O-CD 3.28Å; P276-A278 PolarHBondContact O-N 3.05Å
277S60.9Low70.7Confident119 Ų119120.5 Ų120.583%0.83270%0.704SS**THydrogen-bonded Turntrans-61.35.6178.548.90000115.2M275M275-S277 PolarHBondContact O-N 3.28Å
278A54.4Low68.5Low84 Ų84122.5 Ų122.569%0.69473%0.725SS**THydrogen-bonded Turntrans-91.2-3.4-164.500000116P276P276-A278 PolarHBondContact O-N 3.05Å
279S55.3Low66.3Low122 Ų122133.2 Ų133.285%0.85376%0.759SS**SBendtrans-113.8-3.4-176.7-58.50000115.9
280F53.2Low64.8Low204 Ų204130.8 Ų130.890%0.89576%0.762SS**SBendtrans-106.5-12.7178.4-160.4-100.9000114.2G282F280-G282 PolarHBondContact O-N 2.84Å; F280-G282 VanDerWaalsContact O-N 3.16Å
281A51.9Low63.3Low100 Ų100133.2 Ų133.283%0.82678%0.782SS**SBendtrans-85.529.8-177.400000114.6
282G51.6Low61.5Low73 Ų73133.8 Ų133.875%0.75380%0.795SS**SBendtrans-134.942.9-170.600000115.1F280F280-G282 PolarHBondContact O-N 2.84Å; F280-G282 VanDerWaalsContact O-N 3.16Å
283S49.1Very low59.7Low119 Ų119133.4 Ų133.483%0.83281%0.806SS**SBendtrans-156.728.1166.2-169.30000114.5
284A50.8Low57.7Low103 Ų103131.3 Ų131.385%0.85181%0.811SS**  trans-130.958.4176.100000111.3
285S49.3Very low55.8Low118 Ų118130.7 Ų130.783%0.82582%0.821SS**  trans-155.173.9167.267.30000112.5
286S52.1Low54.1Low108 Ų108132.9 Ų132.976%0.75584%0.844SS**  trans-176.9116.4151.552.60000103.8
287E53.2Low52.5Low197 Ų197135 Ų13592%0.92186%0.857SS**  177.7139.967.8-153.8164.4150.800106.3
288G49Very low51.8Low86 Ų86136.3 Ų136.389%0.88786%0.859SS**  trans159.370.7177.500000112.2
289R51.1Low51.5Low322 Ų322141.1 Ų141.1100%1.21587%0.874SS**  trans-113.40165.4-161.1-175.1-166.1-1574.3108.6

Retrieved 289 of 289 residues in 35.4 ms (Link to these results)