==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-OCT-04 1XQ4 . COMPND 2 MOLECULE: PROTEIN APAG; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA PERTUSSIS; . AUTHOR F.FOROUHAR,W.YONG,S.M.VOROBIEV,R.XIAO,T.B.ACTON, . 488 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 245 50.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 55 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 4 2 0 0 1 4 0 3 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 7 A P 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.7 61.5 118.1 108.0 2 8 A V - 0 0 109 36,-0.1 37,-0.1 1,-0.1 38,-0.0 0.930 360.0-145.5 40.0 87.7 58.3 117.6 105.9 3 9 A K - 0 0 129 35,-0.3 37,-2.5 1,-0.1 3,-0.2 -0.224 15.5-120.1 -71.6 164.5 59.3 115.4 103.0 4 10 A P S S+ 0 0 70 0, 0.0 37,-2.1 0, 0.0 2,-0.5 0.937 102.4 23.0 -73.0 -47.7 57.8 115.7 99.5 5 11 A Y S S+ 0 0 44 34,-0.2 2,-0.3 35,-0.2 98,-0.1 -0.952 81.4 143.5-125.9 111.8 56.4 112.2 99.4 6 12 A D + 0 0 40 -2,-0.5 32,-1.3 35,-0.3 33,-0.8 -0.968 20.4 179.5-152.7 131.2 55.7 110.5 102.7 7 13 A L E -A 37 0A 9 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -1.000 13.3-157.4-131.6 130.7 53.0 108.2 104.0 8 14 A T E -A 36 0A 65 28,-2.6 28,-2.3 -2,-0.4 2,-0.4 -0.912 6.6-156.9-112.1 139.2 53.0 106.8 107.5 9 15 A V E -A 35 0A 38 -2,-0.4 2,-0.4 103,-0.3 105,-0.2 -0.948 9.5-175.7-119.4 131.4 51.1 103.7 108.5 10 16 A S E -A 34 0A 57 24,-1.8 24,-1.8 -2,-0.4 2,-0.4 -0.986 6.3-168.0-124.6 132.8 49.9 102.6 111.9 11 17 A V E -A 33 0A 27 -2,-0.4 22,-0.2 22,-0.2 72,-0.1 -0.979 6.9-168.7-124.2 130.3 48.3 99.2 112.6 12 18 A T E -A 32 0A 95 20,-1.9 20,-1.0 -2,-0.4 2,-0.1 -0.881 13.6-162.5-119.2 99.7 46.4 98.2 115.7 13 19 A P E -A 31 0A 39 0, 0.0 2,-0.3 0, 0.0 18,-0.2 -0.352 8.4-177.4 -77.2 160.2 45.7 94.5 116.0 14 20 A R E -A 30 0A 105 16,-1.0 16,-2.2 -2,-0.1 106,-0.1 -0.859 27.3-120.1-163.2 123.5 43.1 92.9 118.2 15 21 A Y E -A 29 0A 35 104,-0.4 14,-0.2 -2,-0.3 5,-0.0 -0.339 23.6-145.7 -61.3 141.1 42.1 89.3 118.9 16 22 A V > + 0 0 8 12,-2.7 3,-1.0 1,-0.2 12,-0.3 -0.864 20.1 176.9-117.0 96.9 38.4 88.6 118.2 17 23 A P G > S+ 0 0 61 0, 0.0 3,-2.8 0, 0.0 -1,-0.2 0.916 73.3 71.1 -62.2 -47.3 36.9 86.1 120.6 18 24 A E G 3 S+ 0 0 165 1,-0.3 -2,-0.0 3,-0.0 3,-0.0 0.659 115.0 26.1 -47.0 -20.0 33.4 86.2 119.2 19 25 A Q G < S+ 0 0 124 -3,-1.0 2,-0.3 9,-0.2 -1,-0.3 0.001 106.6 91.8-136.6 31.1 34.6 84.4 116.1 20 26 A S < - 0 0 18 -3,-2.8 7,-0.2 7,-0.1 5,-0.0 -0.962 46.2-169.6-128.7 144.6 37.6 82.5 117.5 21 27 A D B > > -F 26 0B 60 5,-2.7 5,-2.7 -2,-0.3 3,-1.9 -0.771 5.4-179.7-136.2 90.1 37.9 78.9 118.9 22 28 A P G > 5S+ 0 0 49 0, 0.0 3,-1.1 0, 0.0 5,-0.1 0.732 82.8 67.3 -60.0 -22.7 41.3 78.2 120.5 23 29 A S G 3 5S+ 0 0 84 1,-0.3 -2,-0.0 3,-0.1 0, 0.0 0.691 108.9 37.7 -71.5 -18.5 40.1 74.7 121.3 24 30 A Q G < 5S- 0 0 121 -3,-1.9 -1,-0.3 2,-0.1 3,-0.1 0.168 120.6-108.1-114.1 12.8 40.1 74.1 117.5 25 31 A Q T < 5S+ 0 0 107 -3,-1.1 2,-0.7 1,-0.2 -2,-0.1 0.857 74.0 144.1 60.7 35.6 43.3 76.1 117.0 26 32 A Q B < +F 21 0B 103 -5,-2.7 -5,-2.7 61,-0.1 2,-0.6 -0.811 20.5 171.2-109.9 90.6 41.1 78.7 115.3 27 33 A Y E - B 0 88A 22 61,-2.8 61,-2.9 -2,-0.7 2,-0.5 -0.889 9.5-171.3-106.1 122.8 42.5 82.2 116.2 28 34 A V E - B 0 87A 29 -2,-0.6 -12,-2.7 -12,-0.3 2,-0.3 -0.947 4.7-177.7-116.2 121.5 41.0 85.2 114.4 29 35 A F E -AB 15 86A 1 57,-1.9 57,-2.2 -2,-0.5 2,-0.4 -0.788 15.2-149.6-114.2 159.5 42.5 88.7 114.7 30 36 A A E -AB 14 85A 11 -16,-2.2 -16,-1.0 -2,-0.3 2,-0.4 -0.990 11.2-166.9-129.3 121.2 41.4 92.0 113.3 31 37 A Y E -AB 13 84A 9 53,-2.1 53,-1.5 -2,-0.4 2,-0.6 -0.869 9.4-149.5-107.1 143.2 44.0 94.6 112.5 32 38 A T E -AB 12 83A 20 -20,-1.0 -20,-1.9 -2,-0.4 2,-0.3 -0.956 12.3-154.6-115.3 116.7 43.0 98.2 111.8 33 39 A V E -AB 11 82A 0 49,-2.8 49,-1.2 -2,-0.6 2,-0.4 -0.665 7.6-167.9 -91.8 144.3 45.2 100.1 109.3 34 40 A R E -AB 10 81A 95 -24,-1.8 -24,-1.8 -2,-0.3 2,-0.5 -0.918 3.7-169.8-134.6 105.6 45.6 103.8 109.4 35 41 A I E -AB 9 80A 0 45,-3.1 45,-2.4 -2,-0.4 2,-0.4 -0.829 7.3-178.0 -99.1 132.2 47.3 105.5 106.4 36 42 A T E -AB 8 79A 29 -28,-2.3 -28,-2.6 -2,-0.5 2,-1.0 -0.994 28.1-129.6-133.9 131.8 48.2 109.2 106.7 37 43 A N E +A 7 0A 2 41,-2.3 40,-2.8 -2,-0.4 -30,-0.2 -0.683 31.5 169.3 -80.9 106.0 49.8 111.4 104.2 38 44 A T + 0 0 55 -32,-1.3 -35,-0.3 -2,-1.0 -31,-0.2 0.088 47.7 91.0-103.0 19.9 52.6 113.1 106.1 39 45 A G S S- 0 0 6 -33,-0.8 -34,-0.2 2,-0.2 38,-0.1 -0.600 83.9-111.1-111.4 174.8 54.2 114.6 103.0 40 46 A S S S+ 0 0 57 -37,-2.5 -35,-0.2 -2,-0.2 -1,-0.0 0.677 96.8 46.9 -79.2 -18.9 54.0 117.9 101.1 41 47 A H S S- 0 0 65 -37,-2.1 -35,-0.3 -38,-0.2 -2,-0.2 -0.857 92.8 -94.9-122.4 159.0 52.4 116.4 98.0 42 48 A P - 0 0 28 0, 0.0 62,-1.4 0, 0.0 2,-0.3 -0.222 42.5-175.2 -65.4 161.8 49.5 114.1 97.3 43 49 A A E -GH 74 103C 0 31,-1.5 31,-2.4 60,-0.2 2,-0.4 -0.975 15.4-133.1-156.5 153.1 50.3 110.4 96.8 44 50 A Q E -GH 73 102C 16 58,-2.8 58,-1.6 -2,-0.3 2,-0.5 -0.919 12.2-130.8-120.1 138.8 48.3 107.3 96.0 45 51 A V E + H 0 101C 0 27,-2.2 56,-0.2 -2,-0.4 22,-0.2 -0.730 33.2 168.0 -83.9 124.3 48.3 103.8 97.5 46 52 A I E - 0 0 3 54,-2.4 20,-3.6 -2,-0.5 2,-0.2 0.872 51.3 -1.8-102.3 -68.1 48.7 101.3 94.7 47 53 A S E -IH 65 100C 0 53,-1.5 53,-2.6 18,-0.3 2,-0.4 -0.786 55.0-142.2-126.5 170.2 49.4 97.7 95.9 48 54 A R E -IH 64 99C 57 16,-1.9 16,-1.5 -2,-0.2 2,-0.4 -0.996 4.8-165.8-137.4 138.0 50.0 95.8 99.2 49 55 A H E -IH 63 98C 19 49,-3.2 49,-2.7 -2,-0.4 2,-0.4 -0.989 13.4-170.9-123.9 124.4 52.2 92.9 100.2 50 56 A W E -IH 62 97C 5 12,-3.1 12,-2.2 -2,-0.4 2,-0.6 -0.948 13.2-170.0-120.9 135.0 51.6 91.1 103.5 51 57 A I E -IH 61 96C 27 45,-2.5 45,-2.1 -2,-0.4 2,-0.5 -0.951 11.5-172.4-120.5 107.8 53.7 88.5 105.3 52 58 A I E -IH 60 95C 17 8,-2.4 8,-1.6 -2,-0.6 2,-0.4 -0.896 8.0-156.4-104.5 130.9 51.9 86.8 108.2 53 59 A T E -IH 59 94C 8 41,-3.2 41,-1.5 -2,-0.5 6,-0.2 -0.896 8.6-129.7-112.6 138.1 53.9 84.5 110.4 54 60 A D > - 0 0 9 4,-1.6 3,-1.8 -2,-0.4 39,-0.1 -0.188 26.3-111.0 -76.9 165.0 52.6 81.7 112.6 55 61 A G T 3 S+ 0 0 29 1,-0.3 38,-0.1 37,-0.2 -1,-0.1 0.624 125.7 47.0 -69.5 -11.5 53.3 80.9 116.3 56 62 A E T 3 S- 0 0 132 2,-0.1 -1,-0.3 36,-0.1 3,-0.1 0.067 129.0 -97.6-115.4 21.3 55.3 78.0 114.8 57 63 A E S < S+ 0 0 144 -3,-1.8 2,-0.7 1,-0.2 -2,-0.1 0.695 72.0 152.6 71.1 22.2 57.1 80.0 112.2 58 64 A R - 0 0 139 1,-0.0 -4,-1.6 2,-0.0 -1,-0.2 -0.762 31.3-151.4 -87.7 112.7 54.7 79.1 109.4 59 65 A V E +I 53 0C 83 -2,-0.7 2,-0.3 -6,-0.2 -6,-0.2 -0.495 17.9 179.3 -87.1 152.8 54.7 81.9 106.8 60 66 A Q E -I 52 0C 79 -8,-1.6 -8,-2.4 -2,-0.2 2,-0.4 -0.977 12.6-152.9-146.3 141.9 51.8 82.9 104.5 61 67 A E E -I 51 0C 117 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.946 7.5-168.8-124.4 145.1 51.9 85.7 101.9 62 68 A V E +I 50 0C 71 -12,-2.2 -12,-3.1 -2,-0.4 2,-0.3 -0.999 9.9 175.0-130.9 132.8 49.1 87.8 100.5 63 69 A R E +I 49 0C 100 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.995 16.7 126.1-137.5 141.6 49.6 90.1 97.5 64 70 A G E -I 48 0C 9 -16,-1.5 -16,-1.9 -2,-0.3 2,-0.4 -0.966 51.7 -75.0-172.9-174.9 47.0 92.2 95.6 65 71 A L E S-I 47 0C 41 -2,-0.3 4,-0.3 -18,-0.2 -18,-0.3 -0.821 80.8 -13.2-106.9 141.4 46.0 95.6 94.4 66 72 A G S S- 0 0 1 -20,-3.6 2,-0.5 -2,-0.4 5,-0.2 0.124 77.8 -84.7 64.7 176.3 44.7 98.5 96.4 67 73 A V S S- 0 0 0 3,-3.0 3,-0.3 -22,-0.2 252,-0.1 -0.986 108.5 -6.8-124.4 116.3 43.4 98.6 100.0 68 74 A V S S- 0 0 7 -2,-0.5 251,-3.2 1,-0.2 -1,-0.2 0.925 131.8 -57.1 63.8 43.8 39.7 97.6 100.3 69 75 A G S S+ 0 0 39 -4,-0.3 2,-0.3 249,-0.2 -1,-0.2 0.784 121.2 95.0 58.1 33.1 39.4 97.5 96.5 70 76 A Q - 0 0 31 -3,-0.3 -3,-3.0 -5,-0.1 -1,-0.2 -0.969 61.3-151.1-148.9 157.7 40.5 101.1 96.2 71 77 A Q - 0 0 31 -2,-0.3 -25,-0.1 -5,-0.2 2,-0.1 -0.750 30.6-153.9-133.6 81.4 43.8 103.0 95.5 72 78 A P - 0 0 3 0, 0.0 -27,-2.2 0, 0.0 2,-1.0 -0.308 12.5-145.5 -64.6 136.2 43.3 106.3 97.3 73 79 A L E -G 44 0C 77 -29,-0.3 2,-0.4 -2,-0.1 -29,-0.3 -0.877 28.5-154.4-101.7 96.5 45.1 109.4 96.2 74 80 A L E -G 43 0C 0 -31,-2.4 -31,-1.5 -2,-1.0 3,-0.1 -0.658 6.2-136.5 -84.6 126.5 45.6 111.0 99.6 75 81 A A > - 0 0 36 -2,-0.4 3,-1.6 -33,-0.2 -38,-0.3 -0.322 47.0 -79.5 -70.6 156.1 46.0 114.7 99.9 76 82 A P T 3 S+ 0 0 63 0, 0.0 -38,-0.2 0, 0.0 -1,-0.2 -0.428 121.8 17.7 -60.0 126.3 48.8 115.9 102.3 77 83 A G T 3 S+ 0 0 53 -40,-2.8 -39,-0.1 1,-0.3 2,-0.0 -0.030 97.9 111.5 104.1 -33.0 47.2 115.5 105.7 78 84 A E < - 0 0 69 -3,-1.6 -41,-2.3 -42,-0.1 -1,-0.3 -0.325 51.0-147.1 -78.1 162.5 44.3 113.2 105.0 79 85 A T E -B 36 0A 57 -43,-0.2 2,-0.4 -3,-0.1 -43,-0.2 -0.862 10.3-157.8-127.9 161.7 44.0 109.6 106.2 80 86 A F E +B 35 0A 3 -45,-2.4 -45,-3.1 -2,-0.3 2,-0.4 -0.981 19.3 178.7-140.7 121.4 42.5 106.3 105.0 81 87 A E E +BC 34 327A 29 246,-0.6 246,-2.0 -2,-0.4 2,-0.3 -0.988 10.6 150.9-137.5 140.7 41.6 103.6 107.5 82 88 A Y E -BC 33 326A 5 -49,-1.2 -49,-2.8 -2,-0.4 2,-0.4 -0.910 30.8-130.7-148.2 169.3 40.1 100.1 107.3 83 89 A T E -BC 32 325A 3 242,-2.5 242,-2.4 -2,-0.3 2,-0.3 -0.999 21.7-178.9-134.2 131.7 40.3 96.8 109.2 84 90 A S E -B 31 0A 15 -53,-1.5 -53,-2.1 -2,-0.4 2,-0.2 -0.781 26.3-108.1-120.5 165.5 40.9 93.4 107.7 85 91 A G E -B 30 0A 39 -2,-0.3 -55,-0.2 -55,-0.2 239,-0.0 -0.517 18.8-163.4 -97.4 164.7 41.1 90.0 109.3 86 92 A C E -B 29 0A 5 -57,-2.2 -57,-1.9 -2,-0.2 2,-0.2 -0.800 9.3-156.8-149.4 102.2 44.0 87.6 110.0 87 93 A P E +B 28 0A 85 0, 0.0 -59,-0.2 0, 0.0 -61,-0.1 -0.530 16.4 173.9 -82.0 146.9 43.4 83.9 110.8 88 94 A L E -B 27 0A 9 -61,-2.9 -61,-2.8 -2,-0.2 5,-0.1 -0.994 36.3-145.6-151.7 144.8 46.0 81.8 112.7 89 95 A P S S+ 0 0 54 0, 0.0 -61,-0.1 0, 0.0 -1,-0.1 0.646 89.7 64.9 -83.1 -15.6 46.2 78.3 114.2 90 96 A T S S- 0 0 12 2,-0.2 -63,-0.1 -63,-0.1 -34,-0.0 -0.803 86.5-125.1-109.2 149.9 48.4 79.7 117.0 91 97 A P S S+ 0 0 48 0, 0.0 29,-0.7 0, 0.0 2,-0.3 0.603 95.0 41.1 -67.9 -13.0 47.5 82.2 119.7 92 98 A I E + J 0 119C 87 27,-0.2 2,-0.3 25,-0.0 27,-0.2 -0.948 64.8 135.7-135.2 159.6 50.4 84.5 118.7 93 99 A G E - 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