==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 25-JUL-07 2V72 . COMPND 2 MOLECULE: EXO-ALPHA-SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR A.B.BORASTON,E.FICKO-BLEAN,M.HEALEY . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 62.8 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 . 55 40.1 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 1.5 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 . 11 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 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+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 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 . 2 1 0 1 1 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 2 A I 0 0 137 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.2 29.6 -16.2 2.9 2 3 A E - 0 0 108 2,-0.0 2,-0.4 58,-0.0 134,-0.0 -0.970 360.0-148.7-150.8 149.8 28.2 -12.8 3.8 3 4 A T - 0 0 97 -2,-0.3 134,-3.4 0, 0.0 2,-0.5 -0.969 11.0-130.9-130.7 136.9 30.2 -9.6 4.7 4 5 A A B -A 136 0A 52 -2,-0.4 132,-0.2 132,-0.2 3,-0.0 -0.737 21.6-130.3 -88.3 125.4 29.3 -6.7 7.0 5 6 A I - 0 0 5 130,-2.8 130,-0.4 -2,-0.5 2,-0.1 -0.613 35.5-107.4 -69.4 125.9 29.8 -3.2 5.6 6 7 A P > - 0 0 58 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.384 19.2-145.1 -57.5 129.3 31.8 -1.2 8.2 7 8 A Q G > S+ 0 0 29 1,-0.2 3,-1.5 2,-0.2 20,-0.0 0.719 97.7 69.3 -67.7 -24.6 29.5 1.3 9.9 8 9 A S G 3 S+ 0 0 113 1,-0.3 -1,-0.2 3,-0.0 20,-0.0 0.716 95.3 55.5 -66.1 -21.7 32.5 3.7 10.1 9 10 A E G < S+ 0 0 93 -3,-1.1 -1,-0.3 44,-0.1 2,-0.2 0.444 100.4 82.6 -86.4 -3.2 32.2 3.9 6.3 10 11 A M < - 0 0 9 -3,-1.5 2,-0.3 17,-0.2 43,-0.2 -0.631 59.5-163.6 -99.3 158.3 28.6 5.0 6.7 11 12 A T E -B 52 0A 91 41,-1.4 41,-2.4 -2,-0.2 2,-0.3 -0.973 15.8-146.4-135.9 145.5 27.0 8.4 7.5 12 13 A A E +B 51 0A 29 -2,-0.3 2,-0.3 39,-0.2 12,-0.2 -0.838 17.2 176.5-122.3 154.8 23.5 8.8 8.7 13 14 A S E -B 50 0A 72 37,-2.4 37,-3.1 -2,-0.3 2,-0.3 -0.986 5.8-169.1-150.7 145.6 20.7 11.3 8.4 14 15 A A E -B 49 0A 14 -2,-0.3 35,-0.2 35,-0.2 3,-0.1 -0.991 29.1-137.7-141.8 154.4 17.1 11.5 9.5 15 16 A T S S+ 0 0 84 33,-1.8 2,-0.3 -2,-0.3 34,-0.1 0.661 100.4 24.5 -80.9 -19.1 14.0 13.7 8.9 16 17 A S S S+ 0 0 4 32,-0.5 2,-0.3 2,-0.0 -1,-0.3 -0.970 72.2 163.6-146.5 131.1 13.3 13.7 12.6 17 18 A E - 0 0 74 -2,-0.3 20,-0.3 -3,-0.1 2,-0.2 -0.960 34.4-128.5-152.4 131.3 15.7 13.2 15.5 18 19 A E B > -G 21 0B 50 18,-2.6 3,-0.8 3,-0.6 18,-0.2 -0.564 34.1-119.4 -66.8 140.0 15.7 13.9 19.2 19 20 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.1 -2,-0.2 19,-0.0 0.862 117.2 45.5 -50.9 -42.4 18.8 15.8 20.2 20 21 A Q T 3 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.0 14,-0.1 0.737 116.6 48.1 -70.0 -28.0 19.8 12.9 22.5 21 22 A D B < S+G 18 0B 12 -3,-0.8 15,-1.7 15,-0.2 -3,-0.6 -0.627 78.0 173.7-118.7 69.6 19.0 10.3 19.7 22 23 A P > - 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.311 47.1-105.4 -76.0 162.5 20.6 11.5 16.5 23 24 A A G > S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.812 117.7 64.5 -49.0 -36.9 20.6 9.5 13.2 24 25 A S G > S+ 0 0 69 1,-0.3 3,-1.2 -12,-0.2 -1,-0.3 0.701 88.2 67.9 -65.0 -23.3 24.4 8.7 13.8 25 26 A S G < S+ 0 0 18 -3,-1.7 3,-0.5 1,-0.2 -1,-0.3 0.579 88.4 66.7 -75.1 -9.7 23.5 6.7 16.9 26 27 A A G < S+ 0 0 0 -3,-1.7 107,-1.9 -4,-0.3 -1,-0.2 0.646 108.9 37.2 -78.6 -16.4 21.8 4.2 14.6 27 28 A I S < S+ 0 0 17 -3,-1.2 -1,-0.2 -4,-0.2 -17,-0.2 -0.113 84.7 99.2-130.1 35.9 25.3 3.3 13.2 28 29 A D S S- 0 0 75 -3,-0.5 -1,-0.1 103,-0.4 -3,-0.1 0.297 89.6-114.9-109.5 7.0 27.7 3.5 16.1 29 30 A G S S+ 0 0 54 1,-0.2 2,-0.5 -3,-0.1 103,-0.1 0.610 81.4 115.3 72.4 13.6 27.9 -0.3 16.9 30 31 A N > - 0 0 68 101,-0.3 3,-1.1 -5,-0.2 -2,-0.2 -0.968 52.2-161.8-121.8 118.4 26.3 0.3 20.3 31 32 A I T 3 S+ 0 0 89 -2,-0.5 37,-0.8 1,-0.2 101,-0.1 0.544 89.4 65.9 -77.2 -6.5 22.9 -1.2 21.1 32 33 A N T 3 S+ 0 0 119 35,-0.1 2,-0.4 36,-0.1 -1,-0.2 0.606 94.6 65.7 -87.2 -15.2 22.5 1.2 24.1 33 34 A T < - 0 0 42 -3,-1.1 2,-0.3 98,-0.2 -5,-0.2 -0.919 69.0-178.2-109.0 137.8 22.3 4.3 21.8 34 35 A M - 0 0 25 -2,-0.4 2,-0.4 -14,-0.1 97,-0.3 -0.889 32.9-120.2-129.6 158.0 19.4 4.7 19.3 35 36 A W E +H 130 0C 0 95,-3.4 95,-2.1 -2,-0.3 2,-0.3 -0.822 44.2 170.9 -83.8 138.3 18.1 7.0 16.6 36 37 A H E -H 129 0C 6 -15,-1.7 -18,-2.6 -2,-0.4 93,-0.2 -0.983 34.4-115.1-152.4 138.5 14.7 8.2 17.7 37 38 A T - 0 0 2 91,-2.0 -19,-0.2 -2,-0.3 2,-0.1 -0.199 64.4 -61.0 -66.4 168.3 12.3 10.8 16.3 38 39 A K > - 0 0 74 1,-0.1 3,-2.0 -21,-0.1 5,-0.3 -0.348 44.3-136.4 -68.2 128.8 11.6 13.8 18.6 39 40 A W T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.702 97.0 69.3 -55.4 -28.6 10.1 12.8 21.9 40 41 A N T 3 S- 0 0 125 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.435 103.9-125.2 -75.5 1.6 7.5 15.7 21.9 41 42 A G S < S+ 0 0 44 -3,-2.0 -2,-0.1 2,-0.1 3,-0.1 0.661 70.2 130.8 69.4 21.1 5.7 14.0 19.1 42 43 A S + 0 0 70 1,-0.2 2,-1.1 -4,-0.2 -1,-0.1 0.766 59.7 65.6 -79.4 -26.6 5.8 17.0 16.8 43 44 A D S S- 0 0 48 -5,-0.3 -1,-0.2 4,-0.0 -2,-0.1 -0.734 80.7-159.1 -99.4 83.8 7.1 15.1 13.8 44 45 A A - 0 0 71 -2,-1.1 83,-0.1 1,-0.1 -2,-0.1 -0.258 33.4 -58.6 -60.1 146.9 4.2 12.8 13.0 45 46 A L S S+ 0 0 39 81,-0.3 76,-0.2 78,-0.1 2,-0.1 -0.294 100.6 70.9 -67.5 154.8 5.0 9.6 10.9 46 47 A P + 0 0 85 0, 0.0 2,-0.3 0, 0.0 75,-0.2 0.419 66.6 150.5 -68.7 140.6 6.1 8.8 8.2 47 48 A Q E - C 0 120A 28 73,-1.2 73,-3.1 -2,-0.1 2,-0.3 -0.920 25.2-154.9-131.0 161.3 9.6 9.8 9.2 48 49 A S E - C 0 119A 6 -2,-0.3 -33,-1.8 71,-0.2 -32,-0.5 -0.904 17.4-142.7-140.3 160.6 12.8 8.2 7.8 49 50 A L E -BC 14 118A 0 69,-2.5 69,-2.9 -2,-0.3 2,-0.5 -0.997 18.8-160.5-124.1 122.7 16.4 7.4 8.4 50 51 A S E -BC 13 117A 21 -37,-3.1 -37,-2.4 -2,-0.4 2,-0.5 -0.900 3.8-167.7-105.0 134.2 18.8 7.5 5.4 51 52 A V E -BC 12 116A 1 65,-3.2 65,-2.6 -2,-0.5 2,-0.3 -0.973 10.2-149.9-123.7 114.2 22.1 5.8 5.6 52 53 A N E -BC 11 115A 51 -41,-2.4 -41,-1.4 -2,-0.5 63,-0.3 -0.682 5.9-151.6 -81.2 137.5 24.8 6.5 3.0 53 54 A L E - 0 0 0 61,-3.5 62,-0.2 -2,-0.3 2,-0.1 0.542 29.6-120.6 -94.7 -9.0 27.0 3.4 2.4 54 55 A G E S+ 0 0 50 60,-0.6 2,-0.2 -43,-0.1 -44,-0.1 -0.211 83.1 11.0 98.7 -42.4 30.2 5.2 1.4 55 56 A K E S- 0 0 116 58,-0.2 2,-0.5 -2,-0.1 -2,-0.2 -0.861 103.0 -58.2-148.6-177.5 30.5 3.6 -2.1 56 57 A A E - 0 0 66 -2,-0.2 2,-0.3 56,-0.1 58,-0.2 -0.621 62.6-178.3 -71.0 121.7 28.5 1.5 -4.5 57 58 A R E - C 0 113A 15 56,-1.9 56,-2.3 -2,-0.5 2,-0.6 -0.817 33.3-135.8-121.3 160.1 27.6 -1.8 -2.7 58 59 A K E - C 0 112A 123 -2,-0.3 2,-0.4 54,-0.2 54,-0.3 -0.859 33.1-160.0-113.5 92.7 25.7 -5.0 -3.6 59 60 A V E + C 0 111A 0 52,-3.0 52,-2.5 -2,-0.6 78,-0.3 -0.604 25.4 173.1 -90.5 126.5 23.5 -5.5 -0.5 60 61 A S E + 0 0 21 76,-2.1 47,-3.6 -2,-0.4 2,-0.3 0.666 68.6 4.2 -98.1 -22.7 22.1 -9.0 0.3 61 62 A S E -DC 136 106A 10 75,-1.4 75,-2.9 45,-0.3 2,-0.4 -0.996 51.1-150.6-160.2 162.6 20.6 -8.1 3.7 62 63 A I E -DC 135 105A 1 43,-2.3 43,-2.0 -2,-0.3 2,-0.6 -0.997 11.0-154.4-137.2 129.5 19.8 -5.5 6.3 63 64 A A E -DC 134 104A 11 71,-1.9 71,-1.9 -2,-0.4 2,-0.7 -0.936 6.5-164.3-108.3 118.6 19.5 -6.0 10.1 64 65 A I E -DC 133 103A 5 39,-3.3 39,-2.5 -2,-0.6 69,-0.2 -0.883 6.8-160.9-105.2 104.3 17.3 -3.5 11.9 65 66 A T E -D 132 0A 26 67,-2.8 66,-2.2 -2,-0.7 67,-1.6 -0.771 9.7-146.9 -89.1 114.3 18.0 -3.7 15.7 66 67 A P - 0 0 10 0, 0.0 64,-0.1 0, 0.0 34,-0.1 -0.157 42.8 -62.1 -67.7 171.6 15.2 -2.2 17.8 67 68 A R - 0 0 46 5,-0.1 -35,-0.1 62,-0.1 -36,-0.1 -0.325 41.3-134.8 -57.2 134.4 15.8 -0.4 21.2 68 69 A T S S+ 0 0 72 -37,-0.8 2,-0.3 -3,-0.1 -1,-0.1 0.669 89.7 21.4 -67.9 -17.4 17.3 -2.7 23.8 69 70 A S S S+ 0 0 86 -37,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.984 108.7 26.4-152.6 149.9 14.8 -1.4 26.4 70 71 A G - 0 0 45 -2,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.001 66.8-120.3 77.8 167.4 11.4 0.4 26.2 71 72 A N > + 0 0 80 -5,-0.0 3,-2.1 3,-0.0 53,-0.3 0.571 63.2 125.2-119.0 -13.5 9.0 0.0 23.3 72 73 A N T 3 S+ 0 0 65 1,-0.3 53,-0.2 53,-0.1 -5,-0.1 -0.237 81.3 15.0 -53.7 122.8 8.5 3.6 21.9 73 74 A G T 3 S+ 0 0 0 51,-2.6 56,-2.4 1,-0.3 2,-0.4 0.510 73.5 158.7 88.8 5.2 9.2 3.7 18.2 74 75 A F < - 0 0 16 -3,-2.1 50,-2.0 54,-0.2 2,-0.4 -0.520 46.5-127.3 -52.5 114.8 9.2 -0.0 17.5 75 76 A I E +E 123 0A 9 54,-0.4 48,-0.3 -2,-0.4 3,-0.1 -0.634 36.5 173.3 -75.8 126.5 8.5 0.4 13.8 76 77 A T E + 0 0 25 46,-2.3 20,-2.6 -2,-0.4 2,-0.4 0.688 68.0 33.3-105.4 -28.8 5.5 -1.7 12.8 77 78 A K E S+EF 122 95A 92 45,-1.7 44,-2.4 18,-0.3 45,-1.5 -0.998 77.1 166.6-134.6 130.0 5.0 -0.7 9.1 78 79 A Y E -EF 120 94A 28 16,-1.9 16,-1.6 -2,-0.4 2,-0.3 -0.857 28.1-154.8-140.5 163.9 7.9 0.2 6.9 79 80 A E E -EF 119 93A 67 40,-1.5 40,-2.6 -2,-0.3 2,-0.4 -0.976 12.6-155.8-136.0 147.5 9.3 0.9 3.4 80 81 A I E -EF 118 92A 1 12,-3.4 11,-3.2 -2,-0.3 12,-1.6 -0.993 12.2-177.1-125.6 124.6 12.9 0.5 2.2 81 82 A H E -EF 117 90A 32 36,-1.9 36,-2.6 -2,-0.4 2,-0.4 -0.915 11.9-149.5-116.9 147.1 14.3 2.4 -0.8 82 83 A A E -EF 116 89A 2 7,-2.6 7,-2.4 -2,-0.4 2,-0.5 -0.904 5.1-146.5-114.3 146.3 17.8 2.2 -2.3 83 84 A I E +EF 115 88A 24 32,-2.6 31,-3.2 -2,-0.4 32,-1.1 -0.958 25.8 165.5-114.6 118.3 19.7 5.0 -4.0 84 85 A N E > - 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