==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-FEB-10 3LMW . COMPND 2 MOLECULE: IOTA-CARRAGEENASE, CGIA; . SOURCE 2 ORGANISM_SCIENTIFIC: ALTEROMONAS; . AUTHOR E.REBUFFET,T.BARBEYRON,A.JEUDY,M.CZJZEK,G.MICHEL . 921 5 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 634 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 303 32.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 3.4 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 . 3 0.3 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 . 79 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 2 3 2 0 1 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 12 10 7 1 1 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 3 0 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 0 126 0, 0.0 423,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.7 25.8 9.1 41.4 2 29 A S - 0 0 99 1,-0.1 2,-0.1 352,-0.0 352,-0.0 -0.763 360.0-109.8-116.6 150.4 24.8 10.7 38.1 3 30 A P - 0 0 57 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.417 36.2-103.4 -74.6 154.0 22.4 9.8 35.3 4 31 A K - 0 0 118 -2,-0.1 2,-0.2 1,-0.0 258,-0.0 -0.578 36.9-141.3 -77.1 142.2 23.4 8.7 31.8 5 32 A T + 0 0 137 -2,-0.2 2,-0.3 2,-0.0 -1,-0.0 -0.570 24.8 164.1-105.9 168.4 23.1 11.3 29.1 6 33 A Y - 0 0 62 -2,-0.2 2,-0.3 5,-0.0 3,-0.0 -0.960 26.7-124.0-168.7 171.1 22.0 10.9 25.5 7 34 A K > - 0 0 125 -2,-0.3 3,-1.9 1,-0.0 4,-0.4 -0.926 31.2-110.3-131.8 155.7 20.8 12.9 22.4 8 35 A D G >> S+ 0 0 73 -2,-0.3 4,-3.0 1,-0.3 3,-1.4 0.785 116.3 61.1 -55.6 -33.5 17.7 12.5 20.3 9 36 A A G 34 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.2 4,-0.0 0.744 87.7 71.9 -69.2 -21.1 19.7 11.2 17.3 10 37 A D G <4 S+ 0 0 75 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.805 117.8 20.1 -59.3 -25.0 20.8 8.3 19.5 11 38 A F T <4 S+ 0 0 4 -3,-1.4 2,-0.4 -4,-0.4 132,-0.3 0.763 130.2 24.8-111.4 -41.2 17.1 7.2 19.0 12 39 A Y < - 0 0 21 -4,-3.0 2,-0.5 130,-0.1 -1,-0.3 -0.998 52.8-165.4-142.9 132.7 15.6 8.8 16.0 13 40 A V - 0 0 88 -2,-0.4 -4,-0.0 -3,-0.1 131,-0.0 -0.983 21.3-140.1-122.3 116.1 17.1 10.3 12.8 14 41 A A - 0 0 55 -2,-0.5 129,-0.0 1,-0.1 97,-0.0 -0.320 33.5 -81.7 -78.5 159.2 14.8 12.5 10.6 15 42 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.212 28.5-172.4 -65.4 152.6 14.8 12.4 6.8 16 43 A T S S+ 0 0 134 1,-0.0 2,-0.3 871,-0.0 -2,-0.0 0.362 75.7 46.3-118.8 -11.2 17.3 14.2 4.7 17 44 A Q - 0 0 134 37,-0.1 2,-0.3 39,-0.0 -1,-0.0 -0.891 58.9-180.0-133.7 162.0 15.5 13.5 1.4 18 45 A Q - 0 0 99 -2,-0.3 38,-0.2 -3,-0.1 37,-0.2 -0.899 12.8-175.6-166.7 129.3 11.8 13.6 0.3 19 46 A D S S+ 0 0 71 36,-2.3 2,-0.3 -2,-0.3 37,-0.2 0.705 72.2 17.9 -99.9 -29.6 10.1 12.8 -3.1 20 47 A V E -a 56 0A 19 35,-1.6 37,-1.3 29,-0.1 2,-0.3 -0.983 50.5-166.7-146.7 147.6 6.6 13.8 -2.5 21 48 A N E +a 57 0A 109 -2,-0.3 2,-0.2 35,-0.2 37,-0.2 -0.915 20.6 176.7-143.1 124.0 4.4 15.9 -0.2 22 49 A Y E -a 58 0A 60 35,-2.1 37,-2.5 -2,-0.3 2,-0.4 -0.702 26.8-130.1-120.8 167.2 0.6 15.6 -0.1 23 50 A D E >> -a 59 0A 17 -2,-0.2 4,-2.2 35,-0.2 5,-0.6 -0.972 19.8-135.1-119.0 129.6 -2.4 16.9 1.7 24 51 A L H >5S+ 0 0 0 35,-2.8 6,-1.6 -2,-0.4 4,-0.5 0.863 102.5 30.9 -51.7 -43.8 -5.0 14.5 3.1 25 52 A V H >5S+ 0 0 53 34,-0.3 4,-2.0 4,-0.2 3,-0.2 0.963 123.5 42.9 -80.4 -58.4 -8.1 16.4 1.8 26 53 A D H 45S+ 0 0 130 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.871 127.0 29.4 -55.9 -43.5 -6.7 18.1 -1.4 27 54 A D H <5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.1 -3,-0.2 0.624 133.5 25.0 -95.8 -16.2 -4.8 15.1 -2.8 28 55 A F H < + 0 0 5 28,-2.6 4,-2.6 -2,-0.3 5,-0.2 0.224 54.7 106.2-113.2 13.7 -11.6 8.5 6.0 39 66 A S H > S+ 0 0 13 27,-0.2 4,-3.1 2,-0.2 5,-0.3 0.939 77.9 49.7 -61.1 -52.1 -9.6 5.3 6.3 40 67 A N H > S+ 0 0 135 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.962 112.0 49.0 -52.1 -61.4 -9.4 4.6 2.6 41 68 A A H > S+ 0 0 8 2,-0.2 4,-2.8 -4,-0.2 5,-0.2 0.905 113.2 47.6 -35.9 -59.5 -8.1 8.2 1.9 42 69 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.925 115.9 43.5 -56.1 -48.2 -5.5 7.9 4.7 43 70 A Q H X S+ 0 0 35 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.850 112.0 53.0 -68.3 -34.3 -4.3 4.5 3.5 44 71 A R H X S+ 0 0 134 -4,-3.5 4,-2.7 -5,-0.3 -1,-0.2 0.936 112.6 46.0 -67.0 -39.7 -4.4 5.5 -0.2 45 72 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.904 113.6 48.0 -65.2 -44.2 -2.2 8.5 0.8 46 73 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.950 113.5 48.4 -62.5 -45.5 0.1 6.3 2.9 47 74 A N H X S+ 0 0 61 -4,-3.1 4,-1.3 1,-0.2 -2,-0.2 0.924 110.5 48.8 -61.0 -50.2 0.4 3.8 0.1 48 75 A A H X S+ 0 0 32 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.864 112.0 52.8 -56.6 -36.3 1.1 6.3 -2.6 49 76 A I H >< S+ 0 0 0 -4,-1.9 3,-1.1 1,-0.2 6,-0.3 0.919 106.3 48.3 -71.6 -42.5 3.8 7.8 -0.3 50 77 A S H 3< S+ 0 0 36 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.685 97.2 75.0 -72.2 -18.1 5.7 4.6 0.5 51 78 A R H 3< S+ 0 0 208 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.833 80.2 83.7 -54.8 -38.1 5.8 3.9 -3.3 52 79 A K S X< S- 0 0 97 -3,-1.1 3,-1.2 -4,-0.6 -33,-0.1 -0.537 88.4-125.8 -76.9 130.4 8.4 6.6 -3.7 53 80 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.775 112.4 26.6 -43.9 -33.0 12.0 5.4 -3.0 54 81 A N T 3 S- 0 0 61 1,-0.2 -37,-0.1 -5,-0.1 -4,-0.1 0.404 97.6-157.4-114.8 0.4 12.4 8.3 -0.5 55 82 A G < - 0 0 0 -3,-1.2 -36,-2.3 -6,-0.3 -35,-1.6 -0.246 11.0-153.5 62.2-137.9 8.7 8.8 0.5 56 83 A G E -ab 20 76A 3 19,-2.2 21,-2.0 -38,-0.2 2,-0.3 -0.995 19.6 -50.7 159.0-163.8 7.6 12.1 2.0 57 84 A T E -ab 21 77A 27 -37,-1.3 -35,-2.1 -2,-0.3 2,-0.4 -0.764 28.8-162.3-113.2 152.3 5.2 14.0 4.2 58 85 A L E -ab 22 78A 0 19,-1.6 21,-2.5 -2,-0.3 2,-0.5 -0.992 15.0-145.7-134.3 127.0 1.4 14.0 4.3 59 86 A L E -ab 23 79A 38 -37,-2.5 -35,-2.8 -2,-0.4 -34,-0.3 -0.819 1.6-154.9 -95.9 127.0 -0.3 16.8 6.1 60 87 A I E - b 0 80A 0 19,-3.3 21,-2.6 -2,-0.5 2,-0.2 -0.908 25.4-152.2-100.3 107.9 -3.5 16.1 8.0 61 88 A P - 0 0 6 0, 0.0 19,-0.0 0, 0.0 -38,-0.0 -0.462 31.4 -65.9 -87.0 150.4 -5.3 19.5 7.9 62 89 A N S S+ 0 0 37 -2,-0.2 2,-0.3 22,-0.1 22,-0.2 0.100 89.1 83.3 -31.1 133.7 -7.8 20.9 10.5 63 90 A G S S- 0 0 15 20,-0.5 22,-2.4 18,-0.1 2,-0.5 -0.888 80.8 -74.8 148.7-178.8 -11.0 19.0 10.6 64 91 A T E -c 85 0A 39 -32,-2.2 2,-0.3 -2,-0.3 22,-0.2 -0.960 48.3-173.0-117.8 122.3 -12.5 15.9 12.2 65 92 A Y E -c 86 0A 1 20,-3.2 22,-2.1 -2,-0.5 2,-0.5 -0.782 20.0-144.8-118.6 156.9 -11.5 12.5 10.8 66 93 A H E +c 87 0A 30 -30,-0.3 -28,-2.6 -2,-0.3 2,-0.3 -0.991 28.3 166.3-118.6 121.2 -12.5 8.9 11.4 67 94 A F E +c 88 0A 0 20,-2.1 22,-1.6 -2,-0.5 2,-0.3 -0.967 6.8 168.1-132.7 150.2 -9.8 6.3 11.1 68 95 A L - 0 0 27 -2,-0.3 31,-0.2 20,-0.2 32,-0.1 -0.920 64.9 -0.2-161.4 137.8 -9.5 2.6 12.0 69 96 A G S S+ 0 0 36 29,-2.6 2,-0.2 -2,-0.3 31,-0.2 0.806 75.4 172.9 53.1 34.4 -7.1 -0.2 11.3 70 97 A I E -o 100 0B 2 29,-2.1 31,-2.7 28,-0.2 2,-0.7 -0.511 25.8-138.4 -70.1 139.5 -4.8 1.9 9.2 71 98 A Q E -o 101 0B 42 -2,-0.2 31,-0.2 29,-0.2 -1,-0.1 -0.846 15.7-145.5-105.4 103.3 -1.6 0.2 8.1 72 99 A M - 0 0 0 29,-2.3 2,-0.3 -2,-0.7 32,-0.1 -0.155 14.6-159.1 -66.4 162.5 1.6 2.4 8.3 73 100 A K > - 0 0 70 37,-0.1 3,-0.9 35,-0.1 35,-0.1 -0.933 25.9 -79.7-144.0 158.5 4.5 2.1 5.8 74 101 A S T 3 S+ 0 0 24 33,-0.4 37,-0.1 -2,-0.3 3,-0.1 -0.247 106.6 15.9 -66.0 146.9 8.2 3.0 5.6 75 102 A N T 3 S+ 0 0 41 35,-0.8 -19,-2.2 1,-0.2 2,-0.4 0.739 89.3 130.6 57.7 30.3 9.3 6.6 4.7 76 103 A V E < -b 56 0A 0 -3,-0.9 36,-1.9 34,-0.4 2,-0.5 -0.936 36.2-170.6-104.5 132.3 5.9 8.2 5.5 77 104 A H E -bd 57 112A 13 -21,-2.0 -19,-1.6 -2,-0.4 2,-0.4 -0.875 6.9-158.8-128.5 101.4 5.9 11.2 7.8 78 105 A I E -bd 58 113A 0 34,-2.7 36,-2.6 -2,-0.5 2,-0.4 -0.656 5.4-168.8 -81.9 127.1 2.6 12.4 8.9 79 106 A R E -bd 59 114A 125 -21,-2.5 -19,-3.3 -2,-0.4 2,-0.5 -0.966 7.6-162.1-110.7 133.7 2.2 16.0 10.1 80 107 A V E -bd 60 115A 0 34,-2.4 36,-3.2 -2,-0.4 39,-0.2 -0.973 16.6-125.7-123.4 120.6 -1.1 16.8 11.9 81 108 A E > - 0 0 9 -21,-2.6 3,-1.6 -2,-0.5 -18,-0.1 -0.289 28.0-111.0 -64.4 153.4 -2.4 20.4 12.4 82 109 A S T 3 S+ 0 0 31 1,-0.3 -1,-0.1 38,-0.1 33,-0.0 0.502 111.3 54.2 -69.5 -9.5 -3.2 21.5 15.9 83 110 A D T 3 S+ 0 0 106 37,-0.1 -20,-0.5 2,-0.0 -1,-0.3 0.221 81.1 120.4-108.3 16.1 -7.1 21.8 15.4 84 111 A V < - 0 0 2 -3,-1.6 37,-2.0 -22,-0.2 2,-0.5 -0.517 46.6-159.4 -72.4 140.1 -7.5 18.2 14.1 85 112 A I E -ce 64 121A 54 -22,-2.4 -20,-3.2 -2,-0.2 2,-0.4 -0.995 5.5-163.7-119.9 122.9 -9.8 15.8 15.9 86 113 A I E -ce 65 122A 0 35,-2.9 37,-3.4 -2,-0.5 -20,-0.2 -0.913 10.7-179.5-105.7 133.3 -9.2 12.1 15.2 87 114 A K E -c 66 0A 43 -22,-2.1 -20,-2.1 -2,-0.4 2,-0.4 -0.971 34.9-103.4-131.4 144.7 -11.9 9.6 16.2 88 115 A P E -c 67 0A 9 0, 0.0 -20,-0.2 0, 0.0 41,-0.1 -0.555 39.1-121.2 -67.8 123.0 -12.1 5.8 15.8 89 116 A T - 0 0 19 -22,-1.6 2,-0.2 -2,-0.4 -53,-0.1 -0.431 40.2 -99.1 -55.0 135.1 -14.4 4.9 12.9 90 117 A W + 0 0 129 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.398 46.6 170.8 -68.4 133.5 -17.2 2.7 14.2 91 118 A N - 0 0 58 -2,-0.2 3,-0.5 4,-0.1 6,-0.1 -0.960 16.0-165.9-140.9 117.1 -16.9 -1.1 13.9 92 119 A G + 0 0 55 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.227 57.8 106.1 -95.0 19.6 -19.4 -3.4 15.6 93 120 A D S S- 0 0 69 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.435 82.5-126.5 -84.7 3.2 -17.8 -6.7 15.3 94 121 A G + 0 0 63 -3,-0.5 2,-0.1 1,-0.2 -1,-0.1 0.467 65.6 126.3 77.2 2.0 -16.8 -6.8 19.0 95 122 A K S S- 0 0 137 1,-0.1 2,-0.4 -4,-0.0 -1,-0.2 -0.364 71.5 -79.0 -90.2 170.2 -13.1 -7.4 18.4 96 123 A N - 0 0 83 -2,-0.1 2,-0.3 -3,-0.1 36,-0.2 -0.578 54.5-167.1 -70.1 116.3 -9.9 -5.5 19.5 97 124 A H E - p 0 132B 17 34,-3.3 36,-1.6 -2,-0.4 2,-0.3 -0.716 15.4-170.2-111.6 155.1 -9.4 -2.4 17.4 98 125 A R E - p 0 133B 51 -2,-0.3 -29,-2.6 34,-0.2 36,-0.2 -0.996 23.5-141.9-136.0 146.8 -6.6 0.1 16.9 99 126 A L E S+ 0 0 0 34,-2.0 -29,-2.1 -2,-0.3 2,-0.4 0.946 90.8 17.0 -66.3 -45.4 -6.5 3.4 15.0 100 127 A F E -op 70 135B 1 34,-2.5 36,-2.1 33,-0.2 2,-0.5 -0.981 60.2-165.8-137.9 132.9 -3.0 2.8 13.7 101 128 A E E -op 71 136B 20 -31,-2.7 -29,-2.3 -2,-0.4 36,-0.2 -0.946 9.2-176.8-115.8 129.6 -0.8 -0.2 13.3 102 129 A V S S- 0 0 0 34,-3.1 3,-0.4 -2,-0.5 35,-0.2 0.858 73.4 -5.1 -92.6 -87.0 2.8 0.3 12.6 103 130 A G S S+ 0 0 0 1,-0.2 36,-3.2 2,-0.1 -1,-0.1 -0.124 99.4 111.4 -97.3 40.6 5.0 -2.8 12.0 104 131 A V S S+ 0 0 12 34,-0.3 62,-0.2 32,-0.3 -1,-0.2 0.942 90.6 13.8 -82.4 -43.6 2.3 -5.2 12.8 105 132 A N S S+ 0 0 118 -3,-0.4 2,-0.2 -4,-0.1 -1,-0.1 0.227 134.7 15.4-117.2 9.3 1.6 -6.9 9.4 106 133 A N S S- 0 0 48 -4,-0.2 2,-0.4 33,-0.0 33,-0.4 -0.800 88.3 -81.5-153.7-158.6 4.6 -5.7 7.6 107 134 A I - 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