==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JAN-02 1KTW . COMPND 2 MOLECULE: IOTA-CARRAGEENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALTEROMONAS SP. ATCC 43554; . AUTHOR G.MICHEL,R.KAHN,O.DIDEBERG . 914 4 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 305 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 4.2 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 53 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 2 2 0 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 12 8 6 2 3 4 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 0 0 0 0 0 2 0 0 0 0 2 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 28 A V 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.5 38.2 -11.2 7.0 2 29 A S - 0 0 93 346,-0.0 2,-0.1 0, 0.0 346,-0.0 -0.919 360.0 -98.6-131.7 157.6 35.1 -13.3 7.4 3 30 A P - 0 0 53 0, 0.0 2,-0.2 0, 0.0 344,-0.0 -0.446 37.5-109.6 -78.3 156.2 32.1 -12.8 9.7 4 31 A K - 0 0 119 -2,-0.1 2,-0.2 1,-0.1 258,-0.0 -0.562 32.3-132.3 -79.9 145.0 31.7 -14.6 13.1 5 32 A T + 0 0 138 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.567 26.7 177.3 -96.4 164.0 29.1 -17.3 13.3 6 33 A Y - 0 0 63 -2,-0.2 2,-0.3 3,-0.0 3,-0.0 -0.936 20.6-131.6-154.5 171.1 26.5 -17.7 16.1 7 34 A K > - 0 0 128 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.904 31.3-110.3-128.2 156.5 23.5 -19.9 17.1 8 35 A D G >> S+ 0 0 70 -2,-0.3 3,-2.1 1,-0.3 4,-2.1 0.880 114.4 63.3 -54.3 -39.3 20.1 -18.9 18.3 9 36 A A G 34 S+ 0 0 51 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.602 85.8 72.8 -64.5 -11.2 20.8 -20.1 21.9 10 37 A D G <4 S+ 0 0 78 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.706 115.8 21.9 -74.5 -16.1 23.6 -17.6 22.2 11 38 A F T <4 S+ 0 0 6 -3,-2.1 2,-0.4 1,-0.3 131,-0.2 0.764 128.4 25.6-115.3 -46.9 20.8 -15.0 22.5 12 39 A Y < - 0 0 21 -4,-2.1 2,-0.5 130,-0.1 -1,-0.3 -0.986 52.1-165.0-131.9 136.6 17.5 -16.6 23.6 13 40 A V - 0 0 91 -2,-0.4 3,-0.1 163,-0.1 -4,-0.0 -0.964 20.6-142.1-123.5 111.7 16.7 -19.8 25.6 14 41 A A - 0 0 57 -2,-0.5 2,-0.1 1,-0.1 129,-0.0 -0.241 30.8 -90.6 -68.5 157.8 13.1 -21.0 25.4 15 42 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.424 25.5-157.7 -70.1 143.2 11.3 -22.5 28.4 16 43 A T S S+ 0 0 141 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.479 77.4 23.6-100.3 -3.8 11.5 -26.3 28.9 17 44 A Q - 0 0 121 37,-0.1 2,-0.3 39,-0.0 -1,-0.2 -0.971 65.7-170.8-156.9 146.0 8.4 -26.7 31.0 18 45 A Q - 0 0 66 -2,-0.3 37,-0.2 1,-0.1 38,-0.2 -0.953 21.5-144.7-138.9 158.6 5.2 -24.6 31.5 19 46 A D S S+ 0 0 68 36,-1.8 2,-0.3 35,-0.3 37,-0.2 0.822 76.5 13.9 -93.0 -36.6 2.2 -24.6 33.9 20 47 A V E -a 56 0A 26 35,-1.4 37,-1.9 34,-0.1 2,-0.3 -0.912 45.6-154.5-140.5 165.9 -0.7 -23.5 31.6 21 48 A N E +a 57 0A 123 -2,-0.3 2,-0.3 35,-0.2 37,-0.2 -0.914 29.1 179.5-138.3 108.1 -2.0 -23.0 27.9 22 49 A Y E -a 58 0A 58 35,-2.6 37,-2.6 -2,-0.3 2,-0.4 -0.755 23.2-138.6-112.6 159.1 -4.8 -20.4 27.6 23 50 A D E >> -a 59 0A 22 -2,-0.3 4,-2.6 35,-0.2 5,-1.0 -0.970 13.7-141.1-117.5 127.0 -6.9 -18.9 24.7 24 51 A L H >5S+ 0 0 0 35,-2.5 6,-1.6 -2,-0.4 4,-0.5 0.865 100.9 33.6 -55.4 -41.8 -7.6 -15.1 24.7 25 52 A V H >5S+ 0 0 47 34,-0.3 4,-1.5 4,-0.2 -1,-0.2 0.955 123.4 41.5 -80.6 -53.9 -11.2 -15.5 23.4 26 53 A D H 45S+ 0 0 126 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.868 128.1 27.1 -65.0 -40.5 -12.2 -18.9 25.0 27 54 A D H <5S+ 0 0 92 -4,-2.6 -3,-0.2 1,-0.1 -1,-0.2 0.785 133.4 28.8 -95.3 -29.1 -10.7 -18.4 28.4 28 55 A F H < + 0 0 70 5,-0.2 3,-0.6 1,-0.1 5,-0.1 -0.948 22.7 179.5-124.7 112.2 -14.1 -10.5 20.9 32 59 A G T 3 S+ 0 0 7 -2,-0.5 32,-2.5 1,-0.2 -1,-0.1 0.226 76.4 65.9 -93.5 14.4 -12.3 -10.7 17.5 33 60 A N T 3 S+ 0 0 154 30,-0.2 -1,-0.2 3,-0.0 2,-0.2 0.265 95.9 57.2-116.7 9.4 -15.5 -10.0 15.5 34 61 A D S < S- 0 0 52 -3,-0.6 30,-0.1 30,-0.4 -3,-0.0 -0.597 81.8-112.7-127.2-171.1 -16.2 -6.4 16.6 35 62 A T S S+ 0 0 122 -2,-0.2 2,-0.2 2,-0.1 30,-0.1 0.212 75.3 112.8-110.9 15.8 -14.6 -3.0 16.7 36 63 A S S S- 0 0 69 -5,-0.1 30,-0.5 1,-0.1 -5,-0.2 -0.523 74.1 -83.7 -94.5 158.3 -14.3 -2.7 20.5 37 64 A D B -b 66 0A 84 -2,-0.2 30,-0.2 1,-0.1 -1,-0.1 -0.233 31.8-178.7 -59.4 134.8 -11.3 -2.7 23.0 38 65 A D > + 0 0 6 28,-2.8 4,-1.8 1,-0.1 5,-0.2 0.187 50.0 110.3-118.1 11.1 -9.8 -6.0 24.1 39 66 A S H > S+ 0 0 16 27,-0.3 4,-2.5 1,-0.2 5,-0.2 0.852 74.1 53.4 -59.4 -40.2 -7.1 -4.6 26.4 40 67 A N H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.936 108.8 49.3 -63.0 -44.2 -8.7 -5.8 29.7 41 68 A A H > S+ 0 0 8 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 113.8 45.8 -61.5 -42.5 -8.9 -9.4 28.5 42 69 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.919 112.3 50.5 -68.4 -42.7 -5.3 -9.5 27.3 43 70 A Q H X S+ 0 0 37 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.885 111.5 47.3 -65.1 -37.1 -3.9 -7.9 30.5 44 71 A R H X S+ 0 0 109 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.885 110.9 53.0 -69.4 -37.6 -5.8 -10.3 32.8 45 72 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.937 111.0 46.5 -60.1 -48.3 -4.6 -13.2 30.6 46 73 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 114.2 47.0 -60.9 -47.7 -1.0 -12.0 31.0 47 74 A N H X S+ 0 0 28 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.891 110.4 51.5 -63.1 -41.8 -1.2 -11.5 34.8 48 75 A A H < S+ 0 0 29 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.902 112.5 47.1 -63.5 -40.3 -2.9 -14.9 35.4 49 76 A I H >< S+ 0 0 0 -4,-1.9 3,-1.7 -5,-0.2 6,-0.3 0.931 108.5 53.1 -67.5 -45.4 -0.1 -16.6 33.5 50 77 A S H 3< S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.730 99.1 65.7 -64.6 -20.9 2.8 -14.8 35.2 51 78 A R T 3< S+ 0 0 192 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.601 82.9 90.5 -77.8 -9.5 1.4 -15.8 38.7 52 79 A K S X S- 0 0 86 -3,-1.7 3,-1.7 -4,-0.3 -33,-0.1 -0.705 86.7-123.3 -85.9 139.6 2.1 -19.4 38.0 53 80 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.868 110.5 28.3 -47.2 -46.6 5.5 -20.6 39.1 54 81 A N T 3 S- 0 0 60 1,-0.3 -35,-0.3 -3,-0.0 -37,-0.1 0.145 100.9-146.1-105.6 19.2 6.5 -21.9 35.6 55 82 A G < - 0 0 0 -3,-1.7 -36,-1.8 -6,-0.3 -35,-1.4 -0.076 17.5-147.3 55.2-147.1 4.3 -19.5 33.5 56 83 A G E -ac 20 76A 0 19,-2.1 21,-2.0 -37,-0.2 2,-0.3 -0.998 13.7 -65.5 169.7-172.2 2.7 -20.5 30.2 57 84 A T E -ac 21 77A 28 -37,-1.9 -35,-2.6 -2,-0.3 2,-0.4 -0.842 27.0-161.0-113.0 144.8 1.5 -19.8 26.7 58 85 A L E -ac 22 78A 0 19,-2.3 21,-2.5 -2,-0.3 2,-0.4 -0.991 9.3-152.1-125.7 123.9 -1.4 -17.6 25.4 59 86 A L E -ac 23 79A 47 -37,-2.6 -35,-2.5 -2,-0.4 -34,-0.3 -0.820 3.0-159.6 -97.6 131.6 -3.0 -18.1 21.9 60 87 A I E - c 0 80A 0 19,-2.7 21,-2.2 -2,-0.4 24,-0.1 -0.923 25.9-149.1-106.7 105.0 -4.5 -15.1 20.1 61 88 A P - 0 0 20 0, 0.0 19,-0.0 0, 0.0 -38,-0.0 -0.235 32.2 -63.9 -75.3 162.8 -6.9 -16.8 17.5 62 89 A N S S+ 0 0 76 22,-0.1 2,-0.3 18,-0.0 22,-0.2 -0.109 90.6 81.0 -48.4 135.0 -7.9 -15.5 14.1 63 90 A G S S- 0 0 16 20,-0.3 22,-2.2 18,-0.1 2,-0.5 -0.914 81.1 -72.4 154.7-175.9 -9.9 -12.3 14.2 64 91 A T E - d 0 85A 43 -32,-2.5 -30,-0.4 -2,-0.3 2,-0.3 -0.963 48.2-176.1-114.4 126.2 -9.5 -8.5 14.5 65 92 A Y E - d 0 86A 2 20,-2.5 22,-3.0 -2,-0.5 2,-0.4 -0.892 19.4-145.4-124.8 154.7 -8.5 -7.0 17.9 66 93 A H E +bd 37 87A 26 -30,-0.5 -28,-2.8 -2,-0.3 -27,-0.3 -0.979 28.3 164.8-119.4 122.0 -7.9 -3.6 19.5 67 94 A F E + d 0 88A 0 20,-2.1 22,-1.6 -2,-0.4 2,-0.3 -0.954 10.6 168.4-136.1 157.9 -5.2 -3.0 22.1 68 95 A L + 0 0 23 -2,-0.3 31,-0.2 20,-0.2 32,-0.1 -0.915 64.2 8.0-166.9 140.6 -3.2 -0.2 23.9 69 96 A G S S+ 0 0 37 29,-2.8 31,-0.2 -2,-0.3 2,-0.2 0.725 72.3 174.0 61.7 29.1 -0.9 0.2 26.9 70 97 A I E -o 100 0B 2 29,-2.1 31,-2.7 28,-0.2 2,-0.7 -0.451 23.5-144.4 -71.1 134.2 -0.5 -3.5 27.6 71 98 A Q E -o 101 0B 40 -2,-0.2 31,-0.2 29,-0.2 2,-0.1 -0.875 14.4-148.6-101.4 111.2 2.1 -4.4 30.4 72 99 A M - 0 0 0 29,-2.7 31,-0.4 -2,-0.7 2,-0.3 -0.376 15.0-157.5 -75.9 158.3 3.9 -7.6 29.6 73 100 A K > - 0 0 48 29,-0.1 3,-0.9 -2,-0.1 35,-0.1 -0.903 25.1 -73.0-136.3 164.0 5.1 -9.9 32.5 74 101 A S T 3 S+ 0 0 28 33,-0.4 36,-0.2 -2,-0.3 37,-0.1 -0.181 108.2 11.9 -59.4 142.8 7.7 -12.6 33.3 75 102 A N T 3 S+ 0 0 47 34,-1.9 -19,-2.1 35,-1.1 2,-0.5 0.752 89.3 135.4 62.4 30.7 7.3 -16.2 31.9 76 103 A V E < -c 56 0A 0 -3,-0.9 36,-1.7 34,-0.5 2,-0.5 -0.931 33.3-170.2-111.2 128.4 4.5 -15.3 29.4 77 104 A H E -ce 57 112A 3 -21,-2.0 -19,-2.3 -2,-0.5 2,-0.4 -0.911 5.4-163.3-125.2 106.3 4.7 -16.6 25.8 78 105 A I E -ce 58 113A 0 34,-2.6 36,-2.5 -2,-0.5 2,-0.4 -0.724 5.2-172.0 -95.1 131.5 2.2 -15.3 23.2 79 106 A R E -ce 59 114A 59 -21,-2.5 -19,-2.7 -2,-0.4 2,-0.4 -0.967 7.6-157.3-121.7 139.6 1.4 -17.0 19.9 80 107 A V E -ce 60 115A 0 34,-1.9 36,-3.0 -2,-0.4 39,-0.1 -0.967 16.8-121.8-124.8 126.5 -0.7 -15.4 17.1 81 108 A E > - 0 0 66 -21,-2.2 3,-1.6 -2,-0.4 -18,-0.1 -0.208 30.5-108.1 -66.0 154.5 -2.6 -17.1 14.3 82 109 A S T 3 S+ 0 0 38 1,-0.3 -1,-0.1 38,-0.1 33,-0.0 0.567 112.0 46.6 -60.2 -19.0 -1.9 -16.3 10.6 83 110 A D T 3 S+ 0 0 123 37,-0.1 -20,-0.3 2,-0.0 -1,-0.3 0.151 82.8 128.0-110.7 19.0 -5.0 -14.3 9.7 84 111 A V < - 0 0 2 -3,-1.6 37,-2.2 -22,-0.2 2,-0.4 -0.463 41.2-161.4 -76.6 145.3 -5.1 -12.1 12.8 85 112 A I E -df 64 121A 52 -22,-2.2 -20,-2.5 35,-0.2 2,-0.5 -0.999 5.1-165.2-127.2 125.9 -5.3 -8.3 12.5 86 113 A I E +df 65 122A 0 35,-2.8 37,-2.4 -2,-0.4 -20,-0.2 -0.966 9.6 178.3-117.2 128.7 -4.2 -6.1 15.4 87 114 A K E -d 66 0A 44 -22,-3.0 -20,-2.1 -2,-0.5 2,-0.2 -0.904 32.5-102.0-127.1 154.4 -5.2 -2.4 15.6 88 115 A P E -d 67 0A 13 0, 0.0 2,-0.3 0, 0.0 -20,-0.2 -0.565 33.4-121.7 -78.2 139.4 -4.5 0.3 18.3 89 116 A T - 0 0 26 -22,-1.6 2,-0.1 -2,-0.2 -53,-0.1 -0.599 37.7-103.7 -76.8 136.0 -7.4 1.3 20.6 90 117 A W + 0 0 130 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.396 44.1 171.0 -66.1 133.3 -8.2 5.0 20.3 91 118 A N - 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