==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 08-MAR-07 2P34 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA MARITIMA; . AUTHOR F.B.M.B.MORENO,G.A.BEZERRA,T.M.OLIVEIRA,E.P.SOUZA, . 936 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 645 68.9 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 . 407 43.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 107 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 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 . 3 13 0 4 12 4 13 6 3 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 3 0 0 0 0 0 0 0 2 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 0 134 0, 0.0 230,-0.1 0, 0.0 216,-0.0 0.000 360.0 360.0 360.0 143.4 -12.8 43.6 -17.8 2 2 A D - 0 0 46 216,-0.1 2,-0.5 228,-0.1 211,-0.0 -0.276 360.0-119.4 -61.3 160.7 -12.5 40.3 -15.8 3 3 A T - 0 0 40 228,-0.0 211,-0.7 2,-0.0 2,-0.4 -0.949 34.9-164.4-106.0 131.1 -9.4 38.3 -16.1 4 4 A I E +A 213 0A 2 -2,-0.5 26,-3.5 209,-0.2 2,-0.4 -0.976 25.5 174.4-128.0 123.8 -10.0 34.9 -17.5 5 5 A V E +AB 212 29A 4 207,-2.0 207,-2.9 -2,-0.4 2,-0.3 -0.989 31.6 165.4-108.4 130.9 -8.0 31.7 -17.7 6 6 A A E -AB 211 28A 2 22,-2.8 22,-3.3 -2,-0.4 2,-0.6 -0.999 42.4-142.6-148.9 150.8 -10.2 28.9 -19.1 7 7 A V E -AB 210 27A 2 203,-2.5 203,-2.2 -2,-0.3 2,-0.4 -0.983 34.2-157.6-107.3 118.9 -10.2 25.6 -20.6 8 8 A E E -AB 209 26A 0 18,-2.6 18,-2.2 -2,-0.6 2,-0.7 -0.793 23.2-161.1-102.9 137.7 -12.9 25.5 -23.4 9 9 A L E -AB 208 25A 0 199,-3.3 199,-1.9 -2,-0.4 2,-0.7 -0.945 29.2-167.1-108.6 94.1 -14.7 22.6 -24.8 10 10 A D E +AB 207 24A 0 14,-3.1 14,-2.3 -2,-0.7 197,-0.2 -0.816 20.1 176.7-101.2 114.1 -15.7 24.5 -27.9 11 11 A T + 0 0 0 195,-1.2 196,-0.2 -2,-0.7 -1,-0.2 0.685 65.4 60.3 -88.3 -21.0 -18.4 22.8 -29.9 12 12 A Y S S- 0 0 61 194,-1.1 2,-0.6 12,-0.1 -1,-0.2 -0.938 77.0-136.5-122.8 111.1 -18.9 25.4 -32.5 13 13 A P - 0 0 25 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.570 15.9-173.8 -68.9 113.6 -16.1 26.6 -34.8 14 14 A N > > + 0 0 21 -2,-0.6 3,-2.2 1,-0.1 5,-1.7 -0.754 9.4 174.0-104.4 73.9 -16.2 30.3 -35.1 15 15 A T G > 5S+ 0 0 78 -2,-0.8 3,-1.1 1,-0.3 -1,-0.1 0.679 71.4 68.4 -58.9 -19.2 -13.4 30.5 -37.8 16 16 A D G 3 5S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.640 105.7 41.3 -79.5 -9.0 -14.0 34.3 -38.2 17 17 A I G < 5S- 0 0 7 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 -0.188 131.5 -85.9-123.2 35.0 -12.6 34.7 -34.7 18 18 A G T < 5S+ 0 0 52 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.431 78.1 141.7 84.8 -1.8 -9.6 32.2 -34.9 19 19 A D < - 0 0 11 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.503 57.9-110.8 -61.3 147.0 -11.3 29.0 -33.9 20 20 A P - 0 0 25 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.262 36.6 -99.5 -67.3 172.5 -10.0 26.1 -36.0 21 21 A S S S+ 0 0 93 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 0.184 101.1 59.2 -88.7 21.1 -12.5 24.7 -38.3 22 22 A Y S S- 0 0 78 -10,-0.1 -8,-0.1 -8,-0.0 -10,-0.1 -0.947 99.7 -82.4-137.3 160.4 -13.4 21.8 -36.1 23 23 A P + 0 0 36 0, 0.0 17,-2.6 0, 0.0 2,-0.3 -0.381 63.1 173.2 -59.4 150.2 -14.8 21.4 -32.6 24 24 A H E -BC 10 39A 0 -14,-2.3 -14,-3.1 15,-0.3 2,-0.4 -0.990 39.0-125.1-157.6 148.3 -11.8 21.7 -30.2 25 25 A I E -BC 9 38A 0 13,-2.0 13,-2.2 -2,-0.3 2,-0.3 -0.864 42.8-179.5 -91.9 141.9 -10.7 21.9 -26.6 26 26 A G E -BC 8 37A 0 -18,-2.2 -18,-2.6 -2,-0.4 2,-0.7 -0.990 33.5-123.1-142.1 160.6 -8.6 25.0 -26.0 27 27 A I E -BC 7 36A 0 9,-2.9 8,-2.9 -2,-0.3 9,-0.7 -0.887 28.6-163.8 -99.0 116.0 -6.6 26.9 -23.5 28 28 A D E +B 6 0A 0 -22,-3.3 -22,-2.8 -2,-0.7 2,-0.6 -0.855 11.4 179.3-103.6 122.7 -7.8 30.5 -23.1 29 29 A I E S-B 5 0A 13 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.934 78.8 -36.2-124.2 104.5 -5.6 33.0 -21.4 30 30 A K S S+ 0 0 131 -26,-3.5 2,-0.3 -2,-0.6 -25,-0.1 0.557 128.0 71.1 57.9 17.4 -7.3 36.4 -21.4 31 31 A S S S- 0 0 9 -27,-0.2 -2,-0.2 1,-0.1 4,-0.2 -0.964 76.3-133.2-155.1 144.8 -8.8 35.8 -24.8 32 32 A V S S+ 0 0 1 203,-0.6 2,-0.9 201,-0.4 202,-0.1 0.723 91.7 90.3 -61.7 -25.2 -11.5 33.7 -26.3 33 33 A R S S- 0 0 92 202,-0.6 -4,-0.3 201,-0.1 -15,-0.1 -0.684 90.2-125.2 -77.6 108.7 -9.0 32.9 -29.0 34 34 A S - 0 0 26 -2,-0.9 -6,-0.2 1,-0.1 3,-0.2 -0.220 9.0-146.3 -67.1 136.7 -7.3 29.9 -27.6 35 35 A K S S+ 0 0 102 -8,-2.9 2,-0.3 1,-0.3 -1,-0.1 0.815 91.6 8.8 -65.4 -35.6 -3.5 29.9 -27.1 36 36 A K E S-C 27 0A 89 -9,-0.7 -9,-2.9 41,-0.1 2,-0.3 -0.985 72.8-180.0-143.1 145.4 -3.6 26.2 -27.9 37 37 A T E -C 26 0A 41 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.915 12.2-155.7-133.7 159.4 -6.4 23.9 -29.1 38 38 A A E -C 25 0A 20 -13,-2.2 -13,-2.0 -2,-0.3 2,-0.2 -0.983 36.2 -99.9-126.5 147.8 -6.7 20.3 -30.0 39 39 A K E -C 24 0A 144 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.443 43.1-161.6 -60.1 131.5 -9.2 18.8 -32.3 40 40 A W - 0 0 2 -17,-2.6 2,-1.2 -2,-0.2 33,-0.1 -0.968 18.9-148.5-125.6 120.6 -12.1 17.3 -30.3 41 41 A N - 0 0 94 -2,-0.5 2,-0.3 -19,-0.1 30,-0.1 -0.708 21.6-154.9 -81.4 89.6 -14.7 14.7 -31.4 42 42 A M - 0 0 20 -2,-1.2 2,-0.9 -32,-0.1 25,-0.0 -0.549 8.7-142.3 -62.3 125.0 -17.7 15.8 -29.2 43 43 A Q > - 0 0 24 -2,-0.3 3,-2.2 3,-0.1 154,-0.3 -0.875 20.6-128.0 -99.7 100.2 -19.8 12.7 -28.9 44 44 A N T 3 S+ 0 0 77 -2,-0.9 154,-0.2 1,-0.3 3,-0.1 -0.250 86.6 2.8 -54.8 124.4 -23.3 14.0 -29.1 45 45 A G T 3 S+ 0 0 30 152,-3.2 2,-0.3 1,-0.3 -1,-0.3 0.507 102.4 117.6 75.7 3.9 -25.4 12.8 -26.1 46 46 A K S < S- 0 0 118 -3,-2.2 151,-0.7 151,-0.4 2,-0.5 -0.766 71.9-111.0 -94.9 152.4 -22.5 10.9 -24.4 47 47 A V E -H 196 0B 51 -2,-0.3 2,-0.2 149,-0.2 149,-0.2 -0.727 40.3-168.0 -82.1 118.6 -21.2 11.9 -20.9 48 48 A G E -H 195 0B 0 147,-2.2 147,-2.0 -2,-0.5 2,-0.4 -0.655 11.7-142.3-102.3 164.7 -17.8 13.3 -21.3 49 49 A T E -HI 194 66B 11 17,-3.0 17,-2.9 -2,-0.2 2,-0.4 -0.999 8.5-163.0-128.4 127.2 -15.2 14.0 -18.7 50 50 A A E -HI 193 65B 1 143,-3.2 143,-2.2 -2,-0.4 2,-0.4 -0.953 4.8-169.1-103.0 131.7 -12.9 17.0 -18.7 51 51 A H E -HI 192 64B 9 13,-2.8 13,-2.1 -2,-0.4 2,-0.4 -0.991 3.6-171.1-121.4 130.4 -9.7 16.9 -16.4 52 52 A I E -HI 191 63B 1 139,-3.2 139,-2.0 -2,-0.4 2,-0.4 -0.969 6.3-179.2-124.9 128.2 -7.8 20.2 -16.0 53 53 A I E +HI 190 62B 24 9,-2.8 9,-2.7 -2,-0.4 2,-0.3 -0.995 8.4 162.1-134.4 136.2 -4.4 20.3 -14.3 54 54 A Y E +H 189 0B 9 135,-2.7 135,-2.6 -2,-0.4 2,-0.3 -0.972 6.5 178.0-141.2 142.0 -2.0 22.9 -13.4 55 55 A N E > -H 188 0B 6 5,-0.4 4,-2.1 -2,-0.3 5,-0.4 -0.986 33.5-128.1-134.4 157.6 0.9 23.3 -11.1 56 56 A S T 4 S+ 0 0 17 131,-3.6 132,-0.1 -2,-0.3 26,-0.0 0.408 104.4 56.6 -77.1 2.5 3.3 26.2 -10.5 57 57 A V T 4 S+ 0 0 13 130,-0.3 -1,-0.2 3,-0.1 478,-0.1 0.868 121.7 24.3 -92.1 -57.8 6.5 24.0 -10.9 58 58 A G T 4 S- 0 0 5 2,-0.1 -2,-0.2 474,-0.1 3,-0.1 0.775 90.2-156.4 -76.5 -27.0 5.8 22.7 -14.3 59 59 A K < + 0 0 64 -4,-2.1 20,-2.5 1,-0.2 2,-0.6 0.855 42.7 139.0 50.0 41.6 3.5 25.6 -15.2 60 60 A R E - J 0 78B 45 -5,-0.4 2,-0.9 18,-0.2 -5,-0.4 -0.961 45.0-152.7-119.4 116.1 1.7 23.6 -17.8 61 61 A L E + J 0 77B 2 16,-2.7 16,-2.3 -2,-0.6 2,-0.3 -0.864 27.4 178.0 -90.0 111.2 -2.0 24.1 -18.0 62 62 A S E +IJ 53 76B 0 -9,-2.7 -9,-2.8 -2,-0.9 2,-0.3 -0.841 12.1 179.7-115.8 149.6 -3.2 20.8 -19.3 63 63 A A E -IJ 52 75B 0 12,-2.6 12,-2.6 -2,-0.3 2,-0.4 -0.986 6.7-167.5-148.1 146.7 -6.7 19.5 -20.0 64 64 A V E -IJ 51 74B 2 -13,-2.1 -13,-2.8 -2,-0.3 2,-0.4 -0.991 4.6-162.8-130.6 138.2 -8.1 16.3 -21.4 65 65 A V E +IJ 50 73B 1 8,-2.7 8,-2.4 -2,-0.4 2,-0.3 -0.980 21.5 169.4-116.8 129.2 -11.6 15.6 -22.6 66 66 A S E -IJ 49 72B 7 -17,-2.9 -17,-3.0 -2,-0.4 6,-0.2 -0.901 22.7-151.5-138.6 158.3 -12.6 11.9 -22.8 67 67 A Y > - 0 0 6 4,-1.6 3,-2.4 -2,-0.3 -19,-0.2 -0.845 40.7 -98.7-122.3 157.9 -15.7 9.8 -23.4 68 68 A P T 3 S+ 0 0 94 0, 0.0 -20,-0.1 0, 0.0 522,-0.1 0.744 119.4 65.1 -58.1 -22.2 -16.3 6.3 -22.1 69 69 A N T 3 S- 0 0 117 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.642 118.3-111.2 -72.2 -9.0 -15.4 4.7 -25.5 70 70 A G S < S+ 0 0 56 -3,-2.4 2,-0.2 1,-0.4 -1,-0.1 0.341 70.4 141.4 100.2 -6.4 -11.8 6.1 -24.8 71 71 A D + 0 0 59 -30,-0.1 -4,-1.6 -5,-0.0 -1,-0.4 -0.476 30.4 175.6 -56.1 125.2 -11.7 8.8 -27.6 72 72 A S E -J 66 0B 59 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.984 26.4-156.1-137.0 155.9 -9.8 11.7 -25.8 73 73 A A E -J 65 0B 7 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.4 -0.993 15.6-167.6-124.3 138.6 -8.5 15.1 -26.8 74 74 A T E +J 64 0B 56 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.966 9.2 177.5-128.1 142.4 -5.7 16.7 -24.9 75 75 A V E -J 63 0B 0 -12,-2.6 -12,-2.6 -2,-0.4 2,-0.3 -0.998 2.3-179.6-139.8 143.1 -4.3 20.2 -24.9 76 76 A S E -J 62 0B 7 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.3 -0.994 4.4-174.6-137.5 147.5 -1.5 21.8 -22.9 77 77 A Y E -J 61 0B 85 -16,-2.3 -16,-2.7 -2,-0.3 2,-0.4 -0.960 25.1-130.1-143.1 124.3 -0.1 25.2 -22.8 78 78 A D E +J 60 0B 69 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.588 46.1 152.3 -68.4 124.0 2.9 26.4 -20.8 79 79 A V - 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