==== 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 2V73 . COMPND 2 MOLECULE: PUTATIVE EXO-ALPHA-SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR A.B.BORASTON,E.FICKO-BLEAN,M.HEALEY . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 67.9 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 . 143 39.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 36 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 4.7 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 2 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 1 1 1 2 6 5 3 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 0 4 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 5 A V 0 0 98 0, 0.0 2,-0.3 0, 0.0 165,-0.0 0.000 360.0 360.0 360.0 166.6 35.1 1.1 23.5 2 6 A D - 0 0 85 162,-0.0 2,-0.0 3,-0.0 162,-0.0 -0.840 360.0-150.4-146.0 110.6 35.3 -2.5 24.9 3 7 A E - 0 0 42 -2,-0.3 163,-0.3 163,-0.1 3,-0.1 -0.286 16.3-147.1 -74.0 155.0 33.5 -3.6 28.1 4 8 A I S S+ 0 0 49 161,-3.1 2,-0.3 1,-0.3 162,-0.2 0.581 93.8 22.0 -88.1 -17.2 34.5 -6.3 30.5 5 9 A A E -A 165 0A 7 160,-1.4 160,-2.7 2,-0.0 2,-0.4 -0.971 66.3-171.2-153.6 135.9 30.8 -7.0 31.1 6 10 A N E +A 164 0A 114 -2,-0.3 2,-0.4 158,-0.2 158,-0.2 -0.973 8.3 172.0-135.6 115.6 27.7 -6.3 29.1 7 11 A Y E +A 163 0A 31 156,-2.7 156,-2.4 -2,-0.4 2,-0.3 -0.943 15.8 159.3-120.9 145.1 24.1 -6.7 30.3 8 12 A G E +A 162 0A 36 -2,-0.4 154,-0.3 154,-0.3 153,-0.2 -0.999 37.3 37.0-165.4 163.5 21.0 -5.6 28.4 9 13 A N E + 0 0 149 152,-2.0 2,-0.4 -2,-0.3 152,-0.2 0.976 69.2 162.9 54.5 65.4 17.3 -5.7 27.6 10 14 A L E -A 160 0A 36 150,-2.8 150,-2.8 -3,-0.1 2,-0.5 -0.948 28.2-163.0-119.9 133.0 16.1 -6.2 31.2 11 15 A K E -A 159 0A 154 -2,-0.4 2,-0.6 148,-0.2 148,-0.2 -0.969 6.5-177.4-115.3 123.0 12.7 -5.7 32.7 12 16 A I E +A 158 0A 4 146,-3.0 146,-2.2 -2,-0.5 6,-0.1 -0.836 23.8 145.1-122.6 88.4 12.4 -5.5 36.4 13 17 A T + 0 0 73 -2,-0.6 2,-0.3 144,-0.2 -1,-0.1 0.596 67.9 23.4-100.6 -15.3 8.8 -5.2 37.4 14 18 A K S > S- 0 0 101 -3,-0.2 3,-2.0 3,-0.0 -1,-0.1 -0.958 90.5 -89.9-146.8 165.9 8.9 -7.2 40.7 15 19 A E G > S+ 0 0 79 -2,-0.3 3,-0.5 1,-0.3 141,-0.1 0.788 116.9 56.3 -41.6 -43.6 11.3 -8.3 43.4 16 20 A E G 3 S+ 0 0 112 1,-0.2 -1,-0.3 3,-0.0 -4,-0.0 0.301 92.3 67.9 -86.1 10.7 12.3 -11.5 41.7 17 21 A E G < + 0 0 67 -3,-2.0 -1,-0.2 2,-0.1 2,-0.2 -0.001 67.6 129.9-146.5 49.3 13.5 -10.2 38.3 18 22 A R < - 0 0 91 -3,-0.5 2,-0.7 -6,-0.1 125,-0.2 -0.315 64.7-116.0 75.6 84.0 16.1 -8.8 39.8 19 23 A V E -F 142 0B 36 123,-1.9 123,-2.6 -2,-0.2 2,-0.7 -0.804 18.5-154.0-104.5 108.6 19.3 -9.7 38.0 20 24 A N E +F 141 0B 99 -2,-0.7 121,-0.2 121,-0.2 3,-0.2 -0.691 24.3 163.1 -80.2 109.4 21.9 -11.7 39.9 21 25 A I > + 0 0 6 119,-1.3 3,-2.5 -2,-0.7 4,-0.3 0.147 37.6 118.6-111.3 16.7 25.4 -11.0 38.6 22 26 A T G > + 0 0 40 118,-1.0 3,-1.6 1,-0.3 4,-0.2 0.837 68.3 63.3 -48.1 -40.1 27.2 -12.4 41.7 23 27 A G G 3 S+ 0 0 62 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.498 100.9 53.8 -67.7 -3.1 28.9 -15.0 39.4 24 28 A D G X S+ 0 0 43 -3,-2.5 3,-2.1 1,-0.1 4,-0.4 0.435 73.5 104.4-108.9 -4.0 30.6 -12.2 37.6 25 29 A L G X> + 0 0 15 -3,-1.6 4,-3.0 -4,-0.3 3,-2.2 0.786 67.9 68.6 -52.7 -38.9 32.3 -10.4 40.6 26 30 A E G 34 S+ 0 0 122 1,-0.3 4,-0.3 -4,-0.2 -1,-0.3 0.786 96.6 57.9 -51.4 -28.2 35.8 -11.7 39.9 27 31 A K G <4 S+ 0 0 96 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.730 121.5 24.1 -71.0 -25.0 35.6 -9.5 36.8 28 32 A F T X4 S+ 0 0 1 -3,-2.2 3,-1.9 -4,-0.4 -2,-0.2 0.576 95.5 92.5-116.3 -18.4 35.0 -6.4 39.0 29 33 A S T 3< S+ 0 0 44 -4,-3.0 106,-0.2 1,-0.3 -3,-0.1 0.710 92.4 41.9 -60.1 -24.0 36.5 -7.3 42.5 30 34 A S T 3 S+ 0 0 83 -4,-0.3 2,-0.4 104,-0.1 -1,-0.3 0.310 80.4 130.1-107.2 7.6 39.9 -5.8 41.8 31 35 A L < + 0 0 21 -3,-1.9 102,-2.7 1,-0.2 103,-0.3 -0.488 24.0 170.9 -71.3 120.5 38.9 -2.6 40.0 32 36 A E S S+ 0 0 93 -2,-0.4 2,-0.3 100,-0.2 -1,-0.2 0.593 78.3 11.8 -95.4 -21.4 40.6 0.5 41.4 33 37 A E S S+ 0 0 42 134,-0.2 2,-0.3 74,-0.1 74,-0.2 -0.897 78.3 115.9-143.5 173.0 39.2 2.6 38.5 34 38 A G E -B 106 0A 1 72,-2.5 72,-3.1 -2,-0.3 2,-0.3 -0.909 45.1 -96.8 151.9-178.7 36.7 2.1 35.7 35 39 A T E -BC 105 166A 1 131,-1.3 131,-2.8 -2,-0.3 2,-0.5 -0.996 12.8-159.3-139.7 145.1 33.4 3.2 34.2 36 40 A I E -BC 104 165A 4 68,-2.1 68,-2.3 -2,-0.3 2,-0.4 -0.994 11.7-176.2-121.2 124.4 29.7 2.1 34.3 37 41 A V E +BC 103 164A 1 127,-2.4 127,-3.3 -2,-0.5 2,-0.4 -0.996 10.7 171.6-122.6 127.5 27.4 3.2 31.5 38 42 A T E -BC 102 163A 0 64,-2.3 64,-2.6 -2,-0.4 2,-0.5 -0.999 24.3-155.2-143.2 135.0 23.7 2.3 31.7 39 43 A R E +BC 101 162A 29 123,-1.7 122,-2.1 -2,-0.4 123,-1.3 -0.956 35.7 154.8-109.3 129.1 20.6 3.2 29.7 40 44 A F E -BC 100 160A 1 60,-2.8 60,-3.0 -2,-0.5 2,-0.4 -0.930 42.3-140.6-151.4 164.3 17.4 2.8 31.8 41 45 A N E - C 0 159A 34 118,-2.7 118,-2.3 -2,-0.3 2,-0.2 -0.951 25.4-155.9-132.6 111.6 13.7 3.7 32.4 42 46 A M E - C 0 158A 28 -2,-0.4 116,-0.2 56,-0.4 3,-0.0 -0.575 13.3-171.8 -86.4 152.2 12.7 4.1 36.1 43 47 A N + 0 0 96 114,-2.5 2,-0.2 -2,-0.2 115,-0.2 0.636 68.5 52.9-113.0 -28.9 9.1 3.7 37.2 44 48 A D - 0 0 47 113,-0.7 4,-0.1 2,-0.1 113,-0.1 -0.584 68.3-138.8-107.7 172.2 9.4 4.8 40.9 45 49 A T + 0 0 115 -2,-0.2 24,-1.9 2,-0.1 25,-0.3 0.412 69.5 100.6-112.0 -3.7 10.8 7.9 42.5 46 50 A S S S- 0 0 65 22,-0.2 2,-0.4 1,-0.1 21,-0.1 -0.290 92.6 -74.1 -75.5 165.9 12.6 6.4 45.5 47 51 A I - 0 0 70 21,-0.1 2,-0.4 19,-0.1 21,-0.2 -0.507 60.0-175.8 -62.9 119.0 16.4 5.7 45.7 48 52 A Q E -G 67 0B 0 19,-3.0 19,-2.4 -2,-0.4 2,-0.6 -0.981 24.0-132.7-127.4 123.3 17.0 2.7 43.4 49 53 A S E -G 66 0B 0 105,-2.7 94,-0.4 -2,-0.4 107,-0.3 -0.649 14.2-173.0 -74.9 117.4 20.3 0.9 42.8 50 54 A L E S+ 0 0 0 15,-2.4 93,-0.4 -2,-0.6 2,-0.3 0.828 86.5 7.1 -71.5 -35.2 20.9 0.4 39.1 51 55 A I E S-G 65 0B 1 14,-1.4 14,-2.5 91,-0.3 2,-0.4 -0.957 70.2-177.3-149.1 129.0 23.8 -1.8 40.2 52 56 A G E -GH 64 141B 0 89,-3.1 89,-1.8 92,-0.6 2,-0.5 -0.973 3.7-175.3-130.0 117.3 24.7 -2.9 43.7 53 57 A L E +GH 63 140B 3 10,-1.9 10,-3.0 -2,-0.4 2,-0.3 -0.964 27.1 164.0-111.7 117.7 27.9 -4.9 44.5 54 58 A S E -GH 62 139B 1 85,-2.6 84,-1.7 -2,-0.5 85,-1.6 -0.889 38.4-121.0-139.2 155.0 27.9 -5.8 48.2 55 59 A D > - 0 0 16 6,-2.7 3,-0.6 -2,-0.3 6,-0.3 -0.681 54.3 -69.7 -88.4 151.3 29.4 -8.0 50.9 56 60 A G T 3 S- 0 0 3 1,-0.3 82,-0.1 -2,-0.3 -2,-0.1 0.129 89.4 -23.9 55.1-160.5 27.2 -10.2 53.0 57 61 A N T 3 S+ 0 0 129 90,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.880 99.8 128.0 54.6 36.4 25.1 -10.3 55.1 58 62 A K < - 0 0 67 -3,-0.6 90,-1.7 88,-0.2 3,-0.0 -0.932 51.1-145.2-144.6 159.8 26.5 -6.9 56.0 59 63 A A S S+ 0 0 13 -2,-0.3 -1,-0.1 88,-0.2 90,-0.0 0.888 92.6 20.1 -91.2 -46.8 24.6 -3.6 56.5 60 64 A N S S+ 0 0 33 1,-0.1 2,-0.5 87,-0.1 -1,-0.1 -0.257 91.8 104.4-124.2 40.8 27.0 -0.9 55.2 61 65 A N + 0 0 1 -6,-0.3 -6,-2.7 17,-0.2 2,-0.3 -0.771 58.3 99.1-123.4 86.6 29.5 -2.8 53.0 62 66 A Y E -G 54 0B 1 -2,-0.5 15,-3.1 15,-0.3 2,-0.4 -0.999 61.7-128.3-162.1 156.1 28.6 -2.0 49.4 63 67 A F E +GI 53 76B 0 -10,-3.0 -10,-1.9 -2,-0.3 2,-0.4 -0.961 33.9 179.9-105.2 135.7 29.0 -0.2 46.2 64 68 A S E -GI 52 75B 0 11,-2.5 11,-2.3 -2,-0.4 2,-0.7 -0.950 21.1-166.5-142.4 114.7 25.7 1.3 44.9 65 69 A L E -GI 51 74B 0 -14,-2.5 -15,-2.4 -2,-0.4 -14,-1.4 -0.929 35.1-179.7 -94.3 114.9 25.2 3.3 41.7 66 70 A Y E -GI 49 73B 7 7,-3.0 7,-2.0 -2,-0.7 2,-0.3 -0.801 27.9-156.1-122.3 158.7 21.7 4.8 42.3 67 71 A V E -GI 48 72B 0 -19,-2.4 -19,-3.0 -2,-0.3 5,-0.2 -0.925 14.0-176.7-125.2 157.6 19.0 6.9 40.8 68 72 A S - 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