==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 22-MAY-06 2H3K . COMPND 2 MOLECULE: HAPTOGLOBIN-BINDING SURFACE ANCHORED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR R.M.PILPA,E.A.FADEEV,V.A.VILLAREAL,M.A.WONG,M.PHILLIPS,R.T.C . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 62.5 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 . 40 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 2 1.4 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-2), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 28 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 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 . 1 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 1 A A 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.8 0.5 -3.2 17.3 2 2 A D - 0 0 87 1,-0.1 2,-0.1 72,-0.0 84,-0.1 -0.102 360.0-161.2 -67.6 174.7 -0.7 -3.9 13.7 3 3 A E - 0 0 129 71,-0.0 2,-0.5 70,-0.0 71,-0.2 -0.436 34.8 -51.6-135.2-149.5 -2.6 -7.2 12.9 4 4 A S >> - 0 0 22 -2,-0.1 4,-0.6 1,-0.1 3,-0.6 -0.824 35.1-138.6-100.0 132.2 -3.5 -9.3 9.9 5 5 A L H 3> S+ 0 0 9 67,-0.9 4,-1.5 -2,-0.5 3,-0.4 0.828 107.5 54.4 -56.3 -27.8 -5.2 -7.6 6.9 6 6 A K H 34 S+ 0 0 107 66,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.869 113.2 39.6 -75.5 -34.9 -7.4 -10.7 6.7 7 7 A D H <4 S+ 0 0 115 -3,-0.6 -1,-0.2 65,-0.2 -2,-0.2 0.295 117.9 50.7 -96.5 11.9 -8.5 -10.4 10.4 8 8 A A H < S+ 0 0 12 -4,-0.6 -2,-0.2 -3,-0.4 -3,-0.2 0.666 92.3 68.0-116.9 -30.4 -8.8 -6.6 10.2 9 9 A I S < S+ 0 0 8 -4,-1.5 2,-2.0 -5,-0.3 -2,-0.1 0.683 79.6 89.3 -65.9 -13.0 -10.9 -6.0 7.1 10 10 A K + 0 0 167 -4,-0.2 -1,-0.2 -5,-0.1 5,-0.1 -0.414 64.2 118.7 -83.5 67.8 -13.8 -7.6 9.0 11 11 A D - 0 0 74 -2,-2.0 79,-0.1 79,-0.1 -3,-0.0 -0.984 61.7-143.8-135.1 146.4 -15.1 -4.3 10.6 12 12 A P S > S+ 0 0 110 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.811 104.6 50.0 -75.8 -31.6 -18.3 -2.4 10.3 13 13 A A T 3 S+ 0 0 67 1,-0.2 3,-0.3 2,-0.1 -2,-0.0 0.812 116.5 41.0 -78.0 -28.3 -16.6 1.0 10.4 14 14 A L T 3 S+ 0 0 40 1,-0.2 76,-1.8 -6,-0.1 -1,-0.2 0.061 91.3 90.2-106.3 26.7 -14.1 0.0 7.7 15 15 A E S < S- 0 0 84 -3,-0.7 -1,-0.2 74,-0.2 -2,-0.1 0.783 112.0 -4.7 -91.0 -28.7 -16.7 -1.8 5.5 16 16 A N S S+ 0 0 112 -4,-0.4 2,-0.3 -3,-0.3 -1,-0.1 -0.188 83.9 152.9-160.3 57.2 -17.7 1.3 3.4 17 17 A K - 0 0 91 1,-0.1 2,-2.0 73,-0.1 71,-0.0 -0.671 55.0-107.6 -92.6 147.6 -16.1 4.5 4.7 18 18 A E - 0 0 124 -2,-0.3 2,-2.8 1,-0.1 -1,-0.1 -0.474 35.8-172.7 -73.1 84.5 -15.4 7.4 2.3 19 19 A H + 0 0 43 -2,-2.0 -1,-0.1 1,-0.2 70,-0.1 -0.272 62.0 81.0 -75.6 59.9 -11.6 7.1 2.1 20 20 A D + 0 0 62 -2,-2.8 2,-0.4 4,-0.0 -1,-0.2 -0.323 51.5 134.6-162.2 70.4 -11.3 10.3 0.2 21 21 A I + 0 0 117 2,-0.1 -2,-0.0 32,-0.0 0, 0.0 -0.971 58.4 2.0-126.3 137.8 -11.4 13.5 2.3 22 22 A G S S- 0 0 54 -2,-0.4 33,-0.1 2,-0.0 32,-0.0 -0.553 109.5 -15.4 90.8-159.6 -9.0 16.6 2.0 23 23 A P + 0 0 72 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.145 66.2 171.1 -72.5 172.3 -6.3 16.9 -0.6 24 24 A R - 0 0 145 29,-0.2 2,-0.2 -4,-0.1 29,-0.2 -0.906 11.9-172.0-178.6 149.8 -5.0 14.0 -2.7 25 25 A E - 0 0 110 27,-0.3 27,-1.0 -2,-0.3 2,-0.5 -0.727 27.8-104.2-138.2-171.1 -2.7 13.1 -5.6 26 26 A Q E +A 51 0A 102 25,-0.2 2,-0.5 -2,-0.2 25,-0.2 -0.965 31.6 174.7-127.0 122.3 -1.7 10.2 -7.8 27 27 A V E -A 50 0A 8 23,-4.2 23,-0.8 -2,-0.5 -2,-0.0 -0.957 16.1-151.3-129.2 119.5 1.6 8.3 -7.5 28 28 A N - 0 0 65 -2,-0.5 107,-2.1 21,-0.3 108,-0.4 -0.078 14.2-140.2 -74.2-176.7 2.5 5.2 -9.5 29 29 A F E -E 134 0B 10 105,-0.3 2,-0.7 106,-0.1 105,-0.3 -0.992 7.0-131.6-150.2 140.8 4.9 2.5 -8.2 30 30 A Q E -E 133 0B 61 103,-2.2 103,-1.8 -2,-0.3 2,-0.6 -0.805 21.2-151.9 -95.7 113.8 7.6 0.3 -9.7 31 31 A L E +E 132 0B 59 -2,-0.7 8,-0.4 101,-0.2 2,-0.3 -0.717 25.2 165.6 -86.4 121.9 7.3 -3.3 -8.7 32 32 A L E -E 131 0B 22 99,-1.0 99,-1.5 -2,-0.6 2,-0.5 -0.987 32.3-149.0-136.7 146.4 10.6 -5.2 -8.7 33 33 A D - 0 0 69 -2,-0.3 97,-0.1 4,-0.3 -2,-0.0 -0.556 68.1 -74.4-113.8 70.4 11.7 -8.5 -7.3 34 34 A K S S+ 0 0 160 -2,-0.5 96,-0.1 1,-0.1 -1,-0.0 0.800 131.7 71.9 49.8 25.0 15.4 -8.0 -6.3 35 35 A N S S- 0 0 105 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.159 108.2-111.1-153.5 21.6 16.1 -8.2 -10.1 36 36 A N + 0 0 122 1,-0.2 2,-0.8 95,-0.0 -4,-0.1 0.809 68.0 151.2 49.6 26.2 14.7 -4.9 -11.5 37 37 A E - 0 0 108 2,-0.0 2,-0.9 1,-0.0 -4,-0.3 -0.774 33.5-159.3 -92.8 110.2 12.1 -7.1 -13.2 38 38 A T - 0 0 72 -2,-0.8 2,-1.2 -6,-0.1 -6,-0.1 -0.754 3.1-156.6 -91.1 107.8 8.8 -5.1 -13.6 39 39 A Q > + 0 0 94 -2,-0.9 3,-0.8 -8,-0.4 -8,-0.0 -0.657 18.4 172.9 -84.8 96.2 5.9 -7.6 -14.0 40 40 A Y T 3 S+ 0 0 152 -2,-1.2 3,-0.2 1,-0.2 -1,-0.2 0.345 73.8 61.4 -85.2 10.5 3.3 -5.5 -15.9 41 41 A Y T 3 S+ 0 0 207 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.1 0.049 83.2 77.7-122.4 26.5 1.1 -8.6 -16.3 42 42 A H X + 0 0 107 -3,-0.8 2,-2.8 1,-0.0 3,-0.6 -0.052 46.3 143.3-124.2 33.5 0.4 -9.4 -12.6 43 43 A F T 3 + 0 0 96 1,-0.2 -3,-0.0 -3,-0.2 -1,-0.0 -0.369 29.2 119.7 -73.0 71.3 -2.2 -6.8 -11.8 44 44 A F T 3 S+ 0 0 146 -2,-2.8 23,-0.3 23,-0.0 -1,-0.2 0.738 79.5 21.8-105.6 -31.5 -4.1 -9.1 -9.4 45 45 A S S < S+ 0 0 25 -3,-0.6 21,-2.6 21,-0.2 23,-0.1 0.818 120.0 39.9-100.2 -78.9 -3.9 -7.2 -6.1 46 46 A I + 0 0 31 19,-0.2 19,-0.1 1,-0.1 -1,-0.1 -0.232 57.7 172.8 -67.5 162.7 -3.3 -3.4 -6.6 47 47 A K + 0 0 107 17,-0.5 -1,-0.1 1,-0.4 3,-0.1 0.501 54.4 37.3-136.1 -63.9 -5.0 -1.6 -9.5 48 48 A D S S- 0 0 84 1,-0.1 -1,-0.4 16,-0.1 16,-0.2 -0.383 95.3 -78.8 -91.3 174.9 -4.6 2.2 -9.7 49 49 A P - 0 0 26 0, 0.0 -21,-0.3 0, 0.0 -22,-0.2 -0.445 59.8 -89.3 -72.8 142.7 -1.6 4.2 -8.8 50 50 A A E -A 27 0A 0 -23,-0.8 -23,-4.2 -24,-0.2 13,-0.2 -0.160 46.2-133.5 -49.9 142.4 -0.9 4.8 -5.1 51 51 A D E -AB 26 62A 23 11,-2.7 11,-2.2 -25,-0.2 2,-0.4 -0.484 7.0-141.9 -95.2 170.1 -2.6 8.0 -3.9 52 52 A V E - B 0 61A 0 -27,-1.0 2,-1.6 9,-0.3 -27,-0.3 -0.799 10.1-170.4-137.5 98.4 -1.1 10.7 -1.7 53 53 A Y - 0 0 7 7,-3.9 2,-0.5 -2,-0.4 -29,-0.2 -0.608 16.9-160.1 -87.1 84.6 -3.2 12.4 1.0 54 54 A Y - 0 0 32 -2,-1.6 5,-0.2 5,-0.2 2,-0.1 -0.499 15.8-179.1 -67.9 117.0 -0.9 15.3 2.0 55 55 A T - 0 0 45 3,-1.2 86,-0.4 -2,-0.5 -1,-0.0 -0.239 43.1 -93.7-102.4-164.9 -1.9 16.4 5.5 56 56 A K S S+ 0 0 170 -2,-0.1 3,-0.1 84,-0.1 -2,-0.0 0.771 120.1 38.0 -84.6 -25.1 -0.6 19.2 7.7 57 57 A K S S- 0 0 173 1,-0.3 2,-0.3 84,-0.0 83,-0.1 0.930 128.5 -20.7 -88.6 -70.7 1.8 16.9 9.6 58 58 A K S S- 0 0 68 47,-0.0 -3,-1.2 83,-0.0 -1,-0.3 -0.921 74.2 -87.7-137.4 164.2 3.2 14.4 7.1 59 59 A A - 0 0 0 -2,-0.3 45,-0.7 45,-0.3 2,-0.4 -0.321 34.9-150.8 -68.8 155.1 2.3 13.1 3.6 60 60 A E E - C 0 103A 39 43,-0.2 -7,-3.9 -7,-0.1 -1,-0.1 -0.828 7.9-162.7-132.9 98.9 -0.0 10.0 3.5 61 61 A V E -BC 52 102A 0 41,-1.9 41,-1.0 -2,-0.4 2,-0.3 -0.316 9.2-160.0 -73.7 162.0 0.3 7.6 0.6 62 62 A E E -BC 51 101A 6 -11,-2.2 -11,-2.7 39,-0.2 2,-0.4 -1.000 11.8-172.6-145.7 144.7 -2.6 5.1 -0.2 63 63 A L E - C 0 100A 14 37,-1.8 37,-1.5 -2,-0.3 2,-0.3 -0.974 17.7-139.6-140.8 125.8 -2.9 1.9 -2.1 64 64 A D E - C 0 99A 13 -2,-0.4 2,-0.7 35,-0.2 -17,-0.5 -0.649 11.9-154.1 -85.1 137.2 -6.0 -0.1 -2.9 65 65 A I E > - C 0 98A 1 33,-2.5 33,-2.0 -2,-0.3 3,-0.9 -0.882 9.1-171.8-114.0 105.4 -5.9 -3.9 -2.6 66 66 A N T 3 S+ 0 0 56 -21,-2.6 2,-1.3 -2,-0.7 3,-0.3 0.966 88.5 45.8 -59.5 -52.4 -8.4 -5.7 -4.9 67 67 A T T >> + 0 0 31 -23,-0.3 3,-2.7 1,-0.2 4,-0.7 -0.267 68.4 150.2 -87.1 53.4 -7.7 -9.2 -3.4 68 68 A A G X4 + 0 0 0 -2,-1.3 3,-0.7 -3,-0.9 -1,-0.2 0.824 67.4 66.3 -55.3 -27.4 -7.7 -7.9 0.2 69 69 A S G 34 S+ 0 0 62 -3,-0.3 -1,-0.3 1,-0.2 49,-0.1 0.641 99.4 51.8 -70.7 -9.9 -9.0 -11.4 1.2 70 70 A T G <4 S+ 0 0 14 -3,-2.7 48,-1.2 47,-0.1 -1,-0.2 0.629 87.7 95.7-100.1 -15.2 -5.5 -12.8 0.1 71 71 A W << + 0 0 19 -4,-0.7 46,-0.2 -3,-0.7 -65,-0.2 -0.537 39.1 165.5 -76.8 139.7 -3.4 -10.4 2.2 72 72 A K + 0 0 105 44,-0.5 -67,-0.9 1,-0.4 -66,-0.4 0.696 62.1 2.1-119.8 -48.4 -2.2 -11.7 5.6 73 73 A K - 0 0 98 43,-0.4 -1,-0.4 -69,-0.2 43,-0.2 -0.751 55.3-169.2-132.3-179.0 0.5 -9.4 6.8 74 74 A F + 0 0 31 -2,-0.2 41,-0.2 -71,-0.2 2,-0.2 -0.695 12.6 166.6-176.0 119.0 2.3 -6.3 5.7 75 75 A E - 0 0 72 39,-2.5 2,-0.1 -2,-0.2 40,-0.1 -0.623 15.9-167.9-140.6 81.5 5.5 -4.4 6.9 76 76 A V E -F 83 0B 1 7,-0.5 7,-1.5 -2,-0.2 2,-0.3 -0.415 11.8-179.6 -68.5 142.3 6.8 -1.8 4.5 77 77 A Y E -FG 82 112B 69 35,-0.9 35,-3.2 5,-0.3 2,-0.4 -0.976 12.2-170.5-147.8 132.4 10.3 -0.5 5.4 78 78 A E E > S-F 81 0B 43 3,-1.4 2,-3.2 -2,-0.3 3,-1.0 -0.966 70.9 -20.0-124.7 138.5 12.5 2.1 3.8 79 79 A N T 3 S- 0 0 118 -2,-0.4 3,-0.1 1,-0.2 32,-0.0 -0.312 133.9 -34.1 66.7 -71.1 16.2 2.8 4.6 80 80 A N T 3 S+ 0 0 149 -2,-3.2 2,-0.3 1,-0.1 -1,-0.2 0.113 116.6 88.0-172.6 37.5 15.9 1.2 8.0 81 81 A Q E < -F 78 0B 125 -3,-1.0 -3,-1.4 2,-0.0 2,-0.8 -0.866 60.8-143.1-148.7 111.7 12.5 1.7 9.5 82 82 A K E -F 77 0B 107 -2,-0.3 -5,-0.3 -5,-0.3 -6,-0.1 -0.608 22.7-142.9 -76.4 109.3 9.4 -0.5 8.9 83 83 A L E -F 76 0B 23 -7,-1.5 2,-1.7 -2,-0.8 -7,-0.5 -0.567 16.1-122.1 -74.8 131.9 6.4 1.9 8.8 84 84 A P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.528 28.9-153.3 -74.3 87.2 3.3 0.4 10.4 85 85 A V - 0 0 13 -2,-1.7 17,-0.2 -11,-0.2 2,-0.2 -0.415 17.1-168.3 -63.1 128.2 0.9 0.5 7.4 86 86 A R E -D 101 0A 96 15,-1.6 15,-1.3 -2,-0.2 2,-0.4 -0.483 19.4-106.6-109.8-176.1 -2.7 0.8 8.7 87 87 A L E +D 100 0A 42 13,-0.2 13,-0.3 -2,-0.2 3,-0.1 -0.909 26.2 175.6-115.2 140.8 -6.1 0.4 7.1 88 88 A V E S- 0 0 12 11,-2.9 2,-0.3 1,-0.4 12,-0.1 0.684 71.0 -8.7-112.5 -29.1 -8.5 3.3 6.4 89 89 A S E -D 99 0A 4 10,-1.0 10,-3.1 -70,-0.1 -1,-0.4 -0.973 54.9-167.6-165.5 150.9 -11.4 1.5 4.6 90 90 A Y E -D 98 0A 11 -76,-1.8 8,-0.3 -2,-0.3 -79,-0.1 -0.941 19.0-133.2-149.6 126.2 -12.2 -1.9 3.1 91 91 A S E -D 97 0A 8 6,-3.1 6,-1.0 -2,-0.3 -75,-0.1 -0.439 38.4 -98.6 -75.9 152.7 -15.0 -3.1 0.8 92 92 A P >> - 0 0 28 0, 0.0 4,-3.8 0, 0.0 3,-1.8 -0.132 47.1 -81.7 -67.8 164.8 -16.9 -6.3 1.7 93 93 A V T 34 S+ 0 0 103 1,-0.3 -24,-0.1 2,-0.2 -2,-0.1 0.813 130.7 52.7 -32.6 -54.7 -16.2 -9.7 0.2 94 94 A P T 34 S+ 0 0 114 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.874 120.6 34.0 -58.6 -34.7 -18.3 -9.0 -2.9 95 95 A E T <4 S- 0 0 106 -3,-1.8 -2,-0.2 2,-0.1 -4,-0.1 0.843 90.6-166.4 -87.8 -34.3 -16.3 -5.8 -3.5 96 96 A D < + 0 0 37 -4,-3.8 2,-0.3 1,-0.1 -3,-0.1 0.946 32.2 135.3 46.6 84.9 -13.0 -7.2 -2.1 97 97 A H E - 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