==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 07-AUG-10 3ALU . COMPND 2 MOLECULE: LECTIN CEL-IV, C-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: CUCUMARIA ECHINATA; . AUTHOR T.HATAKEYAMA,T.HOZAWA,K.ISHII,T.KAMIYA,S.GODA,M.KUSUNOKI,H.U . 628 4 14 8 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 46 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 12.6 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 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 5 13 7 9 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 4 0 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 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 1 A a 0 0 79 0, 0.0 2,-0.4 0, 0.0 476,-0.2 0.000 360.0 360.0 360.0 138.2 -17.9 18.5 -23.1 2 2 A L - 0 0 56 474,-0.5 2,-0.2 162,-0.1 474,-0.2 -0.909 360.0-100.2-108.9 150.5 -19.2 15.5 -24.9 3 3 A T - 0 0 13 -2,-0.4 160,-1.2 160,-0.3 2,-0.5 -0.557 34.5-136.4 -65.7 133.4 -19.8 16.1 -28.6 4 4 A S E +A 162 0A 21 -2,-0.2 158,-0.2 158,-0.2 6,-0.1 -0.850 32.6 165.8 -94.5 127.8 -23.5 16.8 -29.4 5 5 A b E -A 161 0A 8 156,-1.6 156,-0.7 -2,-0.5 164,-0.2 -0.935 36.4 -97.9-137.0 160.3 -24.9 15.0 -32.5 6 6 A P > - 0 0 3 0, 0.0 3,-2.2 0, 0.0 163,-0.3 -0.285 61.8 -67.2 -75.3 166.7 -28.2 14.3 -34.1 7 7 A P T 3 S+ 0 0 51 0, 0.0 163,-0.1 0, 0.0 3,-0.1 -0.244 123.5 16.9 -54.5 134.9 -30.0 10.9 -33.6 8 8 A L T 3 S+ 0 0 23 1,-0.3 2,-0.2 161,-0.2 162,-0.1 0.159 107.4 100.5 83.4 -11.7 -28.2 8.0 -35.3 9 9 A W < - 0 0 4 -3,-2.2 160,-0.4 160,-0.2 2,-0.3 -0.588 60.3-150.4 -96.0 161.6 -25.0 10.1 -35.6 10 10 A T E -B 17 0B 11 7,-2.3 7,-3.1 -2,-0.2 2,-0.3 -0.996 8.7-133.0-140.1 144.1 -22.1 9.7 -33.1 11 11 A G E +B 16 0B 4 156,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.697 23.0 168.7-105.8 144.3 -19.5 12.2 -31.9 12 12 A F E > S-B 15 0B 39 3,-2.3 3,-2.0 -2,-0.3 -2,-0.0 -0.917 74.2 -17.9-151.4 126.1 -15.7 12.3 -31.5 13 13 A N T 3 S- 0 0 118 -2,-0.3 3,-0.1 1,-0.3 46,-0.0 0.827 129.0 -45.4 49.6 41.9 -13.6 15.3 -30.8 14 14 A G T 3 S+ 0 0 29 1,-0.2 2,-0.3 462,-0.1 138,-0.3 0.373 117.7 100.7 89.9 -3.5 -16.2 17.8 -31.9 15 15 A K E < -B 12 0B 27 -3,-2.0 -3,-2.3 136,-0.1 2,-0.4 -0.840 61.6-136.8-116.8 154.6 -17.3 16.1 -35.1 16 16 A b E -B 11 0B 2 -2,-0.3 133,-2.1 133,-0.3 2,-0.3 -0.925 24.3-175.5-116.6 131.2 -20.3 13.9 -35.9 17 17 A F E -BC 10 148B 4 -7,-3.1 -7,-2.3 -2,-0.4 2,-0.3 -0.888 12.1-174.9-125.9 155.4 -20.1 10.7 -37.9 18 18 A R E - C 0 147B 45 129,-2.1 129,-2.7 -2,-0.3 2,-0.5 -0.961 18.9-139.2-152.8 130.4 -22.3 8.1 -39.4 19 19 A L E - C 0 146B 14 -2,-0.3 2,-0.4 127,-0.2 127,-0.2 -0.792 19.9-153.4 -83.6 128.2 -21.6 4.8 -41.3 20 20 A F E - C 0 145B 24 125,-3.2 125,-1.5 -2,-0.5 208,-0.0 -0.850 7.4-156.3-109.0 141.8 -23.9 4.1 -44.2 21 21 A H E + 0 0 42 -2,-0.4 2,-0.2 123,-0.2 123,-0.1 0.541 62.1 96.7 -98.9 -9.4 -24.5 0.6 -45.4 22 22 A N E S- 0 0 80 123,-0.1 2,-0.7 1,-0.1 123,-0.2 -0.506 77.4-120.3 -80.3 149.9 -25.5 1.1 -49.0 23 23 A H E + 0 0 91 -2,-0.2 2,-0.3 121,-0.1 121,-0.2 -0.849 41.7 165.1-100.1 122.6 -22.7 0.6 -51.4 24 24 A L E - C 0 143B 35 119,-2.5 119,-2.4 -2,-0.7 60,-0.1 -0.929 37.4-108.9-131.6 155.8 -21.9 3.6 -53.6 25 25 A N > - 0 0 43 -2,-0.3 4,-2.7 117,-0.3 5,-0.2 -0.215 48.1 -93.6 -75.1 173.7 -19.0 4.6 -55.8 26 26 A F H > S+ 0 0 2 113,-2.2 4,-2.7 115,-0.3 5,-0.2 0.930 123.1 44.0 -61.4 -47.9 -16.8 7.4 -54.5 27 27 A D H > S+ 0 0 99 112,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.901 116.3 47.7 -66.1 -38.9 -18.5 10.3 -56.2 28 28 A N H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.841 111.0 51.8 -70.3 -32.1 -22.0 9.1 -55.3 29 29 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.948 110.7 47.8 -66.5 -48.6 -20.9 8.5 -51.6 30 30 A E H X S+ 0 0 7 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.943 112.5 49.0 -55.8 -46.0 -19.5 12.0 -51.4 31 31 A N H < S+ 0 0 84 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.878 107.0 56.1 -64.4 -33.1 -22.8 13.3 -52.9 32 32 A A H >< S+ 0 0 21 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.935 108.3 47.7 -61.9 -45.6 -24.8 11.2 -50.4 33 33 A c H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 16,-0.6 0.818 102.9 63.1 -65.3 -30.7 -22.9 12.9 -47.6 34 34 A R T 3< S+ 0 0 106 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.542 85.1 76.2 -70.9 -8.4 -23.6 16.4 -49.2 35 35 A Q T < S+ 0 0 67 -3,-1.4 438,-0.7 -4,-0.4 2,-0.4 0.678 82.4 78.1 -74.4 -22.0 -27.3 15.8 -48.7 36 36 A F E < S-J 472 0C 23 -3,-1.3 13,-2.9 -4,-0.3 2,-0.3 -0.740 73.3-177.8 -84.8 135.1 -26.7 16.6 -45.0 37 37 A G E -JK 471 48C 0 434,-2.4 434,-2.3 -2,-0.4 2,-0.4 -0.814 33.8-135.3-131.0 171.3 -26.4 20.3 -44.5 38 38 A L E -JK 470 47C 3 9,-2.2 8,-3.1 -2,-0.3 9,-1.6 -0.999 32.9-178.2-124.8 124.0 -25.8 23.2 -42.0 39 39 A A E -JK 469 45C 8 430,-3.1 430,-2.4 -2,-0.4 6,-0.2 -0.909 29.4-114.4-123.3 150.4 -28.2 26.1 -42.5 40 40 A S E > -J 468 0C 17 4,-3.0 3,-1.8 -2,-0.4 428,-0.3 -0.446 35.3-114.2 -70.4 156.3 -28.5 29.4 -40.8 41 41 A d T 3 S+ 0 0 61 426,-2.4 427,-0.1 1,-0.3 -1,-0.1 0.809 118.1 62.0 -66.4 -26.0 -31.7 29.8 -38.8 42 42 A S T 3 S- 0 0 44 425,-0.3 -1,-0.3 374,-0.2 426,-0.1 0.421 128.0 -98.5 -78.0 1.0 -32.9 32.5 -41.2 43 43 A G S < S+ 0 0 58 -3,-1.8 2,-0.5 1,-0.3 -2,-0.1 0.591 76.3 134.9 102.1 15.4 -32.7 29.7 -43.9 44 44 A D - 0 0 98 2,-0.0 -4,-3.0 1,-0.0 2,-0.4 -0.831 53.8-125.9 -97.5 127.6 -29.4 30.1 -45.8 45 45 A E E +K 39 0C 121 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.600 32.4 173.0 -70.4 127.3 -27.3 26.9 -46.5 46 46 A L E - 0 0 45 -8,-3.1 2,-0.3 -2,-0.4 -7,-0.2 0.738 57.9 -7.7-105.0 -36.4 -23.8 27.5 -45.1 47 47 A A E -K 38 0C 23 -9,-1.6 -9,-2.2 103,-0.0 -1,-0.3 -0.973 57.1-135.2-156.4 162.0 -22.1 24.1 -45.5 48 48 A T E -K 37 0C 28 -2,-0.3 -11,-0.3 -11,-0.2 -14,-0.2 -0.868 29.0-103.2-117.9 163.0 -22.7 20.4 -46.5 49 49 A G - 0 0 0 -13,-2.9 2,-0.3 -16,-0.6 100,-0.2 -0.212 39.5-168.6 -67.0 171.8 -21.6 17.1 -45.0 50 50 A H E -D 148 0B 34 98,-1.8 98,-3.0 -17,-0.1 3,-0.1 -0.951 36.7 -73.0-154.4 161.8 -18.7 15.2 -46.7 51 51 A L E S-D 147 0B 0 -2,-0.3 96,-0.3 96,-0.2 49,-0.2 -0.425 76.5 -81.4 -56.7 150.5 -17.1 11.9 -46.6 52 52 A A - 0 0 0 94,-2.5 34,-3.0 32,-0.3 2,-0.3 -0.270 41.1-154.9 -64.4 139.9 -15.1 11.8 -43.3 53 53 A S - 0 0 2 32,-0.2 2,-0.4 -3,-0.1 51,-0.1 -0.754 9.5-146.9-105.3 163.0 -11.7 13.3 -43.1 54 54 A I + 0 0 1 -2,-0.3 52,-0.3 52,-0.1 51,-0.2 -0.999 21.8 171.0-139.9 128.8 -9.2 12.0 -40.5 55 55 A H + 0 0 50 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.323 59.6 26.2-128.4 6.8 -6.6 14.2 -38.7 56 56 A S S > S- 0 0 40 50,-0.1 4,-2.5 1,-0.1 -1,-0.2 -0.988 74.6-106.8-163.6 161.7 -5.0 12.1 -35.9 57 57 A A H > S+ 0 0 66 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.842 120.4 52.9 -59.8 -38.9 -4.1 8.6 -34.7 58 58 A E H > S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 109.0 48.0 -64.7 -42.9 -6.9 8.9 -32.2 59 59 A S H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.916 111.8 51.2 -64.5 -39.0 -9.5 9.8 -34.8 60 60 A Q H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.910 110.4 48.8 -62.3 -42.1 -8.2 7.0 -37.0 61 61 A A H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.897 111.1 50.7 -64.5 -40.5 -8.6 4.6 -34.0 62 62 A F H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 111.8 45.8 -63.5 -49.3 -12.2 5.9 -33.3 63 63 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.880 111.5 52.3 -65.1 -34.9 -13.3 5.5 -36.9 64 64 A T H X S+ 0 0 16 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.930 110.9 47.4 -61.7 -42.9 -11.8 2.0 -37.1 65 65 A E H X S+ 0 0 100 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.878 109.5 55.1 -69.1 -37.5 -13.7 1.0 -33.9 66 66 A L H X S+ 0 0 15 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.950 113.9 40.4 -56.9 -48.2 -16.8 2.5 -35.4 67 67 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.943 117.5 46.1 -67.7 -46.3 -16.5 0.3 -38.5 68 68 A K H < S+ 0 0 59 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 115.0 45.6 -72.6 -36.1 -15.4 -2.9 -36.7 69 69 A T H < S+ 0 0 43 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.789 117.1 46.7 -73.2 -25.8 -18.0 -2.7 -34.0 70 70 A S H < S+ 0 0 30 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.783 123.3 31.9 -81.7 -29.3 -20.7 -1.9 -36.6 71 71 A L >X + 0 0 8 -4,-2.3 3,-1.9 -5,-0.1 4,-0.7 -0.245 69.9 145.2-121.2 45.2 -19.7 -4.6 -39.1 72 72 A P G >4 S+ 0 0 54 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.824 74.0 49.8 -63.5 -30.9 -18.3 -7.5 -37.0 73 73 A D G 34 S+ 0 0 137 1,-0.2 -2,-0.1 -3,-0.1 -5,-0.0 0.547 107.6 56.4 -80.3 -8.6 -19.6 -10.3 -39.2 74 74 A L G <4 S+ 0 0 62 -3,-1.9 2,-0.3 -6,-0.1 -1,-0.2 0.551 74.7 116.7 -98.9 -8.9 -18.1 -8.7 -42.3 75 75 A I << - 0 0 41 -3,-0.7 2,-0.1 -4,-0.7 52,-0.1 -0.450 46.6-174.2 -65.4 120.3 -14.5 -8.5 -41.0 76 76 A T - 0 0 57 4,-2.3 52,-3.3 -2,-0.3 53,-0.2 -0.454 41.6-108.7-104.7-180.0 -12.3 -10.7 -43.2 77 77 A G S S+ 0 0 62 50,-0.2 -2,-0.1 51,-0.2 -1,-0.0 0.508 105.9 57.7 -79.8 -9.5 -8.7 -11.9 -43.2 78 78 A G S S- 0 0 29 2,-0.2 51,-2.4 50,-0.1 52,-0.6 0.153 117.0 -71.1 -95.0-148.4 -8.2 -9.5 -46.2 79 79 A W S S+ 0 0 75 50,-0.2 48,-2.6 49,-0.2 53,-0.2 0.753 83.9 145.0 -75.5 -32.2 -8.8 -5.8 -46.6 80 80 A A + 0 0 41 46,-0.2 -4,-2.3 45,-0.1 48,-0.3 -0.331 42.7 49.9 -67.6 141.2 -12.6 -6.2 -46.5 81 81 A P S S- 0 0 14 0, 0.0 45,-2.7 0, 0.0 2,-0.4 0.304 73.7-175.8 -83.2 140.5 -14.7 -4.5 -45.4 82 82 A Q E -E 125 0B 46 43,-0.2 62,-0.6 44,-0.1 2,-0.4 -0.844 2.8-169.0-102.4 135.2 -13.5 -1.3 -47.1 83 83 A V E -Ef 124 144B 0 41,-2.5 41,-2.8 -2,-0.4 62,-0.3 -0.989 23.1-116.1-129.8 122.2 -15.4 1.9 -46.2 84 84 A Y E -Ef 123 145B 0 60,-2.6 62,-2.0 -2,-0.4 -32,-0.3 -0.250 29.9-178.2 -61.0 138.1 -14.9 5.1 -48.1 85 85 A I E - 0 0 0 37,-1.8 2,-0.2 60,-0.2 37,-0.2 -0.766 46.9 -89.1-121.3 178.1 -13.5 8.2 -46.5 86 86 A G E S+ 0 0 0 -34,-3.0 13,-1.9 -2,-0.3 2,-0.4 0.154 78.1 131.1 -81.3 25.8 -13.0 11.6 -48.1 87 87 A M E - G 0 98B 0 35,-0.3 35,-2.4 -2,-0.2 2,-0.5 -0.623 32.1-175.5 -88.8 126.0 -9.4 11.0 -49.5 88 88 A K E -EG 121 97B 68 9,-3.0 9,-2.1 -2,-0.4 2,-0.6 -0.976 11.5-158.7-118.7 127.4 -8.5 11.8 -53.1 89 89 A V E -EG 120 96B 0 31,-2.7 31,-1.2 -2,-0.5 30,-0.2 -0.954 22.5-166.1-102.4 120.2 -5.1 10.9 -54.5 90 90 A G - 0 0 15 5,-2.6 29,-1.9 -2,-0.6 30,-0.3 0.477 48.4 -40.1 -89.3-138.1 -4.5 13.1 -57.6 91 91 A S S S+ 0 0 91 27,-0.2 2,-0.3 26,-0.1 -2,-0.0 0.805 128.7 18.5 -72.1 -26.0 -2.0 13.1 -60.4 92 92 A T S > S- 0 0 72 26,-0.1 3,-1.8 25,-0.0 -2,-0.5 -0.884 89.5-103.0-133.3 170.8 0.9 12.1 -58.1 93 93 A N T 3 S+ 0 0 74 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.701 118.1 60.5 -72.5 -19.9 0.9 10.6 -54.6 94 94 A S T 3 S+ 0 0 102 1,-0.2 2,-1.7 -5,-0.1 -1,-0.3 0.616 83.8 87.0 -75.8 -10.9 1.8 14.0 -53.0 95 95 A D < + 0 0 74 -3,-1.8 -5,-2.6 2,-0.0 2,-0.4 -0.452 59.4 150.9 -88.7 65.1 -1.5 15.3 -54.4 96 96 A Q E +G 89 0B 45 -2,-1.7 2,-0.3 -7,-0.2 8,-0.2 -0.837 14.3 166.0-101.7 133.6 -3.7 14.2 -51.4 97 97 A T E -G 88 0B 71 -9,-2.1 -9,-3.0 -2,-0.4 2,-0.4 -0.974 30.4-130.9-141.3 155.9 -6.8 16.1 -50.5 98 98 A W E > -G 87 0B 6 4,-0.7 3,-2.3 -2,-0.3 -11,-0.2 -0.866 23.1-126.7-103.6 143.7 -9.9 15.7 -48.4 99 99 A T T 3 S+ 0 0 14 -13,-1.9 -1,-0.1 -2,-0.4 -12,-0.1 0.754 110.7 59.3 -60.8 -24.0 -13.3 16.4 -49.9 100 100 A D T 3 S- 0 0 21 -49,-0.2 -1,-0.3 -14,-0.1 258,-0.2 0.448 113.7-117.8 -83.5 -0.1 -14.0 18.7 -46.9 101 101 A G < + 0 0 57 -3,-2.3 -2,-0.1 1,-0.2 3,-0.1 0.504 66.6 141.4 79.2 6.0 -11.0 20.9 -47.9 102 102 A S - 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