==== 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 CARBOHYDRATE BINDING MODULE 27-JAN-02 1GUI . COMPND 2 MOLECULE: LAMINARINASE 16A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR D.NURIZZO,V.NOTENBOOM,G.J.DAVIES . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 62.6 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 . 63 40.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 12 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 0 0 0 2 1 0 2 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 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 3 A S 0 0 109 0, 0.0 2,-0.3 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0-170.9 31.3 17.9 8.7 2 4 A I - 0 0 25 150,-0.3 2,-0.4 65,-0.1 3,-0.4 -0.535 360.0-148.9 -74.9 130.3 32.9 17.1 5.3 3 5 A N S S+ 0 0 59 17,-0.3 19,-0.3 -2,-0.3 -1,-0.0 -0.863 79.6 2.4 -96.6 132.4 32.1 19.5 2.3 4 6 A N S > S+ 0 0 33 -2,-0.4 3,-0.6 1,-0.1 -1,-0.2 0.884 75.9 153.3 58.6 41.9 32.1 17.9 -1.2 5 7 A G T 3 S+ 0 0 10 -3,-0.4 145,-2.1 1,-0.2 144,-0.2 0.643 72.2 52.5 -70.0 -16.5 32.7 14.4 0.1 6 8 A T T 3 S- 0 0 63 143,-0.2 -1,-0.2 142,-0.2 -2,-0.1 0.519 103.6-131.4 -93.1 -13.9 30.9 13.0 -3.0 7 9 A F < + 0 0 2 -3,-0.6 38,-0.4 1,-0.1 39,-0.1 0.792 64.0 134.0 62.0 35.0 33.0 14.9 -5.5 8 10 A D S S+ 0 0 120 37,-0.1 -1,-0.1 36,-0.1 36,-0.1 0.594 70.2 50.0 -78.0 -16.6 30.1 16.3 -7.5 9 11 A E S S- 0 0 126 1,-0.1 3,-0.1 -5,-0.1 -2,-0.0 -0.848 100.9 -87.4-120.8 158.6 31.8 19.7 -7.4 10 12 A P - 0 0 88 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.121 45.2 -97.5 -63.1 156.7 35.4 20.7 -8.3 11 13 A I - 0 0 15 1,-0.2 12,-0.1 -4,-0.1 31,-0.1 -0.699 31.8-153.9 -72.9 122.6 38.3 20.6 -5.8 12 14 A V - 0 0 70 -2,-0.5 11,-0.2 10,-0.2 -1,-0.2 0.920 11.6-169.6 -67.7 -47.8 38.6 24.2 -4.5 13 15 A N + 0 0 55 9,-2.5 10,-0.2 1,-0.1 2,-0.2 0.912 38.1 128.9 51.6 58.1 42.3 24.0 -3.5 14 16 A D > + 0 0 50 8,-0.4 4,-2.7 4,-0.4 3,-0.2 -0.663 20.7 165.0-137.7 71.8 42.5 27.4 -1.6 15 17 A Q T 4 S+ 0 0 76 9,-0.2 -1,-0.1 1,-0.2 8,-0.1 0.866 73.4 57.4 -57.3 -38.7 44.1 26.5 1.8 16 18 A A T 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.889 125.0 14.2 -66.5 -41.5 44.9 30.2 2.5 17 19 A N T 4 S+ 0 0 125 -3,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.605 137.8 28.4-112.1 -14.7 41.3 31.6 2.3 18 20 A N >< + 0 0 69 -4,-2.7 3,-1.8 3,-0.1 -4,-0.4 -0.362 59.0 153.9-143.6 57.9 39.0 28.4 2.3 19 21 A P T 3 + 0 0 20 0, 0.0 47,-2.6 0, 0.0 4,-0.1 0.610 68.6 73.8 -68.2 -10.8 40.7 25.6 4.3 20 22 A D T 3 S+ 0 0 75 45,-0.2 -17,-0.3 2,-0.1 2,-0.3 0.349 92.7 65.9 -82.6 3.2 37.3 24.1 5.2 21 23 A E S < S- 0 0 54 -3,-1.8 45,-0.2 -7,-0.2 -7,-0.2 -0.877 109.8 -72.6-115.5 155.5 37.1 23.0 1.5 22 24 A W + 0 0 2 -19,-0.3 -9,-2.5 -2,-0.3 -8,-0.4 -0.165 60.1 168.9 -50.4 133.8 39.4 20.3 -0.0 23 25 A F E -A 64 0A 0 41,-2.1 41,-2.4 -10,-0.2 2,-0.4 -0.955 27.6-134.9-141.4 160.2 43.0 21.5 -0.6 24 26 A I E -A 63 0A 21 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.971 13.8-167.1-116.5 135.0 46.4 19.9 -1.5 25 27 A W E -A 62 0A 39 37,-2.1 37,-2.3 -2,-0.4 2,-0.4 -0.981 7.5-171.0-117.5 132.1 49.7 20.8 0.2 26 28 A Q E > -A 61 0A 28 -2,-0.4 3,-1.9 35,-0.2 35,-0.2 -0.990 25.7-140.3-130.5 134.4 53.1 19.7 -1.3 27 29 A A G > >S+ 0 0 0 33,-2.8 3,-1.8 -2,-0.4 5,-1.6 0.738 96.9 71.9 -63.7 -24.3 56.5 20.0 0.2 28 30 A G G > 5S+ 0 0 25 7,-1.5 3,-0.5 32,-0.3 -1,-0.3 0.729 90.3 60.6 -60.8 -25.0 58.1 21.0 -3.1 29 31 A D G < 5S+ 0 0 105 -3,-1.9 -1,-0.3 6,-0.2 -2,-0.2 0.482 108.0 45.3 -79.2 -3.0 56.4 24.4 -2.7 30 32 A Y G < 5S- 0 0 134 -3,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.240 112.3-104.7-130.5 10.6 58.4 25.0 0.6 31 33 A G T < 5S+ 0 0 81 -3,-0.5 -3,-0.2 2,-0.3 3,-0.1 0.646 91.1 111.6 72.3 18.2 62.0 24.0 -0.1 32 34 A I S -E 46 0B 121 3,-2.3 3,-1.6 -2,-0.4 -2,-0.0 -0.966 64.4 -1.1-151.7 143.5 35.3 13.4 -13.1 44 46 A D T 3 S- 0 0 146 -2,-0.3 -36,-0.1 1,-0.3 3,-0.1 0.806 129.8 -50.5 50.1 36.7 32.3 11.0 -13.1 45 47 A G T 3 S+ 0 0 23 -38,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.558 118.5 88.8 85.1 9.6 31.7 11.5 -9.4 46 48 A Y E < -E 43 0B 50 -3,-1.6 -3,-2.3 -39,-0.1 2,-0.3 -0.939 68.6-119.9-136.3 155.9 35.2 10.8 -8.0 47 49 A A E -EF 42 147B 0 100,-2.3 100,-1.8 -2,-0.3 2,-0.3 -0.728 22.9-166.4 -88.5 142.6 38.5 12.7 -7.2 48 50 A Y E -EF 41 146B 28 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.997 5.8-172.3-128.8 140.6 41.9 12.0 -8.9 49 51 A I E -EF 40 145B 0 96,-2.4 96,-2.2 -2,-0.3 2,-0.6 -0.974 11.0-154.8-132.5 116.4 45.4 13.2 -7.8 50 52 A T E -EF 39 144B 33 -11,-3.2 -12,-1.7 -2,-0.4 -11,-1.1 -0.842 8.9-152.0 -98.2 116.8 48.4 12.5 -10.0 51 53 A I E +E 37 0B 8 92,-2.6 -14,-0.2 -2,-0.6 -16,-0.0 -0.756 21.1 172.9 -91.2 123.3 51.8 12.3 -8.3 52 54 A A E S+ 0 0 56 -16,-2.1 -15,-0.2 -2,-0.5 -1,-0.2 0.789 80.1 15.0 -90.3 -38.8 54.9 13.3 -10.2 53 55 A D E -E 36 0B 60 -17,-2.1 -17,-2.2 88,-0.1 -1,-0.3 -0.977 64.7-159.7-141.4 118.7 57.4 13.2 -7.3 54 56 A P - 0 0 31 0, 0.0 85,-2.5 0, 0.0 3,-0.4 0.536 29.1-141.0 -82.2 -5.2 56.5 11.6 -4.0 55 57 A G - 0 0 13 83,-0.2 3,-0.1 1,-0.2 -22,-0.0 -0.294 32.3 -76.7 72.3-165.7 59.0 13.3 -1.7 56 58 A T S S+ 0 0 107 1,-0.1 2,-0.3 82,-0.1 -1,-0.2 0.235 107.0 44.5-124.9 8.2 60.8 11.5 1.2 57 59 A D S > S- 0 0 62 -3,-0.4 3,-1.6 1,-0.1 82,-0.3 -0.980 82.4-114.2-147.7 157.2 58.1 11.3 3.9 58 60 A T G > S+ 0 0 25 -2,-0.3 80,-2.5 1,-0.3 3,-0.9 0.849 113.7 54.4 -59.9 -37.4 54.4 10.4 3.9 59 61 A W G 3 S+ 0 0 95 1,-0.2 -1,-0.3 77,-0.2 -4,-0.1 0.458 78.8 95.5 -77.7 0.3 53.2 14.0 4.8 60 62 A H G < S+ 0 0 9 -3,-1.6 -33,-2.8 -6,-0.2 2,-0.4 0.669 93.7 35.7 -67.3 -16.5 55.1 15.5 1.9 61 63 A I E < S+A 26 0A 0 -3,-0.9 76,-2.6 -35,-0.2 77,-0.8 -0.985 79.1 179.8-134.8 126.0 51.8 15.4 -0.1 62 64 A Q E -AB 25 136A 25 -37,-2.3 -37,-2.1 -2,-0.4 2,-0.5 -0.991 22.6-165.1-130.9 137.0 48.6 16.0 1.7 63 65 A F E +AB 24 135A 0 72,-2.2 72,-2.5 -2,-0.4 2,-0.3 -0.978 40.9 159.3-120.9 105.4 44.9 16.1 0.6 64 66 A N E -AB 23 134A 1 -41,-2.4 -41,-2.1 -2,-0.5 2,-0.3 -0.832 34.6-168.2-133.3 163.6 43.1 17.7 3.5 65 67 A Q E - B 0 133A 0 68,-1.9 68,-2.3 -2,-0.3 -45,-0.2 -0.935 28.6-120.7-153.3 135.1 40.0 19.7 4.8 66 68 A W E + B 0 132A 88 -47,-2.6 2,-0.3 -2,-0.3 66,-0.3 -0.503 36.7 178.5 -69.3 146.7 39.4 21.5 8.2 67 69 A I E - B 0 131A 7 64,-2.2 64,-2.6 -2,-0.2 2,-0.4 -0.991 26.8-126.6-148.8 146.3 36.5 20.2 10.3 68 70 A G E + B 0 130A 48 -2,-0.3 2,-0.3 62,-0.2 62,-0.2 -0.844 30.6 179.0 -94.8 133.0 34.8 20.9 13.6 69 71 A L - 0 0 8 60,-1.7 2,-0.4 -2,-0.4 -2,-0.0 -0.960 27.5-115.7-133.3 148.8 34.4 18.0 16.1 70 72 A Y > - 0 0 156 -2,-0.3 3,-1.6 1,-0.1 53,-0.3 -0.741 32.8-113.1 -87.7 130.6 32.9 17.8 19.7 71 73 A R T 3 S+ 0 0 125 -2,-0.4 54,-0.2 1,-0.2 3,-0.1 -0.375 100.5 15.0 -55.2 128.2 35.2 16.8 22.6 72 74 A G T 3 S+ 0 0 39 51,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.366 98.6 124.1 90.8 -3.2 34.2 13.4 24.0 73 75 A K < - 0 0 86 -3,-1.6 50,-2.4 51,-0.2 2,-0.4 -0.670 56.6-128.5-103.4 145.9 32.0 12.4 21.1 74 76 A T E +G 122 0B 41 -2,-0.3 81,-2.5 48,-0.2 2,-0.3 -0.768 29.1 179.0-100.0 135.7 32.3 9.3 19.0 75 77 A Y E -GH 121 154B 11 46,-3.3 46,-2.4 -2,-0.4 2,-0.5 -0.834 26.0-128.9-125.8 162.2 32.4 9.4 15.1 76 78 A T E -GH 120 153B 40 77,-2.7 77,-2.1 -2,-0.3 2,-0.5 -0.984 18.3-159.5-112.0 128.9 32.7 7.1 12.1 77 79 A I E +GH 119 152B 0 42,-2.8 42,-2.6 -2,-0.5 2,-0.3 -0.933 20.7 169.7-105.6 125.3 35.3 7.9 9.5 78 80 A S E +GH 118 151B 21 73,-2.4 73,-2.5 -2,-0.5 2,-0.3 -0.988 6.4 155.8-139.7 147.4 34.7 6.4 6.1 79 81 A F E -G 117 0B 0 38,-2.0 38,-2.5 -2,-0.3 2,-0.4 -0.981 30.7-131.5-161.2 157.0 36.1 6.6 2.5 80 82 A K E +GH 116 148B 74 68,-2.5 68,-1.8 -2,-0.3 2,-0.3 -0.903 36.0 164.5-107.2 142.1 36.5 4.8 -0.8 81 83 A A E +GH 115 147B 1 34,-2.1 34,-1.3 -2,-0.4 30,-0.3 -0.994 14.3 162.4-159.4 152.6 39.9 4.7 -2.5 82 84 A K E - H 0 146B 42 64,-1.5 64,-2.7 -2,-0.3 2,-0.3 -0.928 16.6-148.2-154.7 177.3 42.1 3.1 -5.2 83 85 A A E - H 0 145B 0 28,-2.1 62,-0.2 -2,-0.3 4,-0.0 -0.990 29.2-118.0-152.8 150.7 45.3 3.7 -7.2 84 86 A D S S+ 0 0 81 60,-2.2 28,-0.2 -2,-0.3 61,-0.1 0.795 108.1 27.0 -61.1 -31.8 46.6 2.8 -10.7 85 87 A T S S- 0 0 69 59,-0.3 -1,-0.1 26,-0.1 25,-0.1 -0.994 103.0 -94.8-129.5 140.5 49.4 0.8 -9.0 86 88 A P + 0 0 86 0, 0.0 25,-0.2 0, 0.0 55,-0.2 -0.282 64.0 129.6 -59.3 134.6 49.3 -0.9 -5.6 87 89 A R E -C 110 0A 12 23,-1.2 23,-2.7 53,-0.1 2,-0.2 -0.956 49.9 -95.7-171.4 161.8 50.7 1.2 -2.7 88 90 A P E -C 109 0A 55 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.553 27.8-177.1 -88.3 155.4 49.8 2.6 0.8 89 91 A I E -C 108 0A 3 19,-1.9 19,-2.7 -2,-0.2 2,-0.3 -0.928 20.9-127.0-133.0 163.8 48.4 5.9 2.0 90 92 A N E -CD 107 136A 22 46,-1.7 46,-1.9 -2,-0.3 2,-0.4 -0.835 11.6-158.0-106.1 153.1 47.7 7.3 5.5 91 93 A V E +CD 106 135A 0 15,-2.7 15,-2.0 -2,-0.3 2,-0.3 -0.999 23.6 171.0-127.3 131.9 44.5 8.7 6.9 92 94 A K E -CD 105 134A 27 42,-2.2 42,-2.2 -2,-0.4 2,-0.4 -0.960 37.4-149.2-139.7 153.2 44.6 11.0 9.9 93 95 A I E +CD 104 133A 0 11,-1.9 10,-2.4 -2,-0.3 11,-1.9 -0.999 46.5 151.4-112.5 122.3 42.7 13.4 12.2 94 96 A L E -CD 102 132A 9 38,-2.2 38,-2.1 -2,-0.4 8,-0.2 -0.951 48.7 -75.4-147.9 161.7 45.3 16.0 13.4 95 97 A Q - 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