==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 13-FEB-12 4DPN . COMPND 2 MOLECULE: CONCANAVALIN-A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA LINEATA; . AUTHOR V.N.FREIRE,C.GOTTFRIED,B.A.M.ROCHA,B.S.CAVADA,P.DELATORRE,T. . 462 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 64.7 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 . 194 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.7 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 48 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 . 2 6 0 2 4 4 7 1 1 3 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 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 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 0 127 0, 0.0 213,-0.1 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 139.9 -49.2 14.2 -10.9 2 2 A D - 0 0 45 213,-0.2 2,-0.5 225,-0.1 210,-0.0 -0.140 360.0-122.4 -46.7 148.2 -47.9 11.2 -12.7 3 3 A T - 0 0 35 2,-0.0 208,-0.8 28,-0.0 2,-0.4 -0.891 37.5-163.9 -89.8 132.6 -49.8 7.9 -12.5 4 4 A I E +A 210 0A 1 -2,-0.5 26,-4.3 206,-0.2 2,-0.4 -0.970 29.6 174.9-128.0 130.6 -47.6 5.2 -11.1 5 5 A V E +AB 209 29A 3 204,-2.3 204,-2.2 -2,-0.4 2,-0.4 -0.973 30.4 170.3-116.7 117.3 -47.5 1.4 -10.9 6 6 A A E -AB 208 28A 0 22,-2.7 22,-3.5 -2,-0.4 2,-0.6 -0.935 37.8-149.4-124.5 143.3 -44.2 0.3 -9.3 7 7 A V E -AB 207 27A 3 200,-2.0 200,-2.6 -2,-0.4 2,-0.4 -0.971 33.3-153.7 -96.2 132.0 -42.5 -2.7 -8.0 8 8 A E E -AB 206 26A 0 18,-3.1 18,-2.2 -2,-0.6 2,-0.8 -0.884 22.5-161.4-107.5 133.4 -40.2 -1.4 -5.2 9 9 A L E -AB 205 25A 0 196,-3.6 196,-2.0 -2,-0.4 2,-0.8 -0.903 29.3-166.1-103.8 96.3 -37.0 -3.0 -4.0 10 10 A D E +AB 204 24A 0 14,-3.1 14,-2.6 -2,-0.8 194,-0.3 -0.796 23.5 174.0-106.5 106.2 -37.0 -1.1 -0.8 11 11 A T + 0 0 0 192,-0.8 193,-0.2 -2,-0.8 -1,-0.2 0.726 67.6 58.4 -81.0 -23.0 -33.8 -1.1 1.2 12 12 A Y S S- 0 0 63 191,-1.1 -1,-0.2 12,-0.1 2,-0.1 -0.893 76.1-138.1-126.0 102.1 -34.7 1.4 3.9 13 13 A P - 0 0 25 0, 0.0 2,-0.5 0, 0.0 8,-0.1 -0.362 17.8-177.5 -51.4 114.3 -37.8 0.9 6.2 14 14 A N > > + 0 0 18 8,-0.1 3,-1.9 -2,-0.1 5,-1.1 -0.799 7.0 177.2-112.5 81.2 -39.6 4.3 6.5 15 15 A T T 3 5S+ 0 0 91 -2,-0.5 3,-0.4 1,-0.3 6,-0.1 0.394 70.5 68.3 -65.3 -1.0 -42.1 2.9 9.0 16 16 A D T 3 5S+ 0 0 113 1,-0.2 -1,-0.3 -3,-0.0 0, 0.0 0.246 103.8 42.9-106.9 11.4 -43.7 6.3 9.4 17 17 A I T < 5S- 0 0 6 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.1 -0.109 133.7 -76.6-137.8 37.0 -44.9 6.2 5.8 18 18 A G T 5S+ 0 0 50 -3,-0.4 -3,-0.2 1,-0.3 15,-0.1 -0.171 84.5 137.1 98.8 -43.5 -46.2 2.7 5.5 19 19 A D < - 0 0 8 -5,-1.1 -1,-0.3 -2,-0.1 -2,-0.1 0.022 57.2-116.2 -40.2 138.6 -43.0 0.6 5.2 20 20 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 -0.409 40.0 -95.4 -64.1 161.9 -42.8 -2.5 7.2 21 21 A S S S+ 0 0 99 -8,-0.1 -2,-0.1 -6,-0.1 3,-0.0 0.172 104.2 57.1 -71.8 23.1 -40.0 -2.4 9.8 22 22 A Y S S- 0 0 82 -2,-0.4 -8,-0.1 -10,-0.1 -10,-0.1 -0.938 99.7 -81.1-140.4 163.7 -37.7 -4.2 7.3 23 23 A P + 0 0 33 0, 0.0 17,-1.8 0, 0.0 2,-0.3 -0.407 65.2 170.1 -55.6 152.4 -36.2 -3.9 3.9 24 24 A H E -BC 10 39A 0 -14,-2.6 -14,-3.1 15,-0.3 2,-0.4 -0.982 42.5-120.2-159.2 157.2 -39.0 -5.2 1.6 25 25 A I E -BC 9 38A 0 13,-1.7 13,-1.7 -2,-0.3 2,-0.4 -0.897 42.6-177.6 -97.7 145.0 -40.2 -5.6 -2.0 26 26 A G E -BC 8 37A 0 -18,-2.2 -18,-3.1 -2,-0.4 2,-0.5 -0.997 29.7-128.6-146.6 146.9 -43.5 -3.9 -2.4 27 27 A I E -BC 7 36A 0 9,-3.0 8,-2.0 -2,-0.4 9,-1.0 -0.847 27.3-158.1 -96.1 132.2 -46.2 -3.3 -5.0 28 28 A D E -B 6 0A 0 -22,-3.5 -22,-2.7 -2,-0.5 2,-0.6 -0.952 11.9-175.8-117.6 117.1 -47.0 0.3 -5.5 29 29 A I E S-B 5 0A 14 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.919 77.6 -43.4-116.0 104.3 -50.3 1.4 -7.0 30 30 A K S S+ 0 0 110 -26,-4.3 2,-0.3 -2,-0.6 -25,-0.1 0.586 128.5 76.9 55.3 11.1 -50.5 5.2 -7.5 31 31 A S S S- 0 0 15 -27,-0.2 4,-0.2 1,-0.1 -25,-0.2 -0.999 74.2-138.7-152.3 145.4 -48.9 5.4 -4.0 32 32 A V S S+ 0 0 1 198,-0.3 2,-1.2 -2,-0.3 -1,-0.1 0.805 91.0 84.5 -72.0 -31.2 -45.6 5.0 -2.2 33 33 A R S S- 0 0 102 -4,-0.1 -4,-0.3 1,-0.1 -15,-0.1 -0.662 96.8-121.5 -76.7 101.2 -47.3 3.2 0.7 34 34 A S - 0 0 26 -2,-1.2 -6,-0.3 1,-0.1 3,-0.2 -0.070 8.3-141.3 -49.9 134.4 -47.2 -0.2 -1.0 35 35 A K S S+ 0 0 96 -8,-2.0 2,-0.3 1,-0.3 -7,-0.1 0.870 93.3 5.6 -57.6 -35.4 -50.5 -2.0 -1.6 36 36 A K E S-C 27 0A 92 -9,-1.0 -9,-3.0 41,-0.1 -1,-0.3 -0.990 74.1-178.7-153.1 134.8 -48.6 -5.2 -0.6 37 37 A T E -C 26 0A 45 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.794 8.6-158.6-129.4 175.9 -45.1 -5.8 0.7 38 38 A A E -C 25 0A 20 -13,-1.7 -13,-1.7 -2,-0.2 37,-0.1 -0.960 34.8 -96.0-153.7 140.9 -42.8 -8.7 1.8 39 39 A K E -C 24 0A 153 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.3 -0.282 46.2-176.0 -51.7 138.0 -39.7 -9.1 3.9 40 40 A W - 0 0 2 -17,-1.8 2,-1.4 -30,-0.1 33,-0.1 -0.893 24.4-146.1-146.3 113.3 -36.7 -9.0 1.7 41 41 A N - 0 0 103 -2,-0.3 2,-0.3 -19,-0.1 -30,-0.1 -0.652 19.6-151.4 -79.2 91.7 -33.1 -9.4 2.8 42 42 A M - 0 0 16 -2,-1.4 2,-0.7 -32,-0.1 -2,-0.0 -0.515 14.8-138.5 -59.2 121.2 -31.2 -7.1 0.4 43 43 A Q > - 0 0 27 -2,-0.3 3,-1.7 3,-0.1 151,-0.3 -0.777 17.3-122.1 -95.3 115.7 -27.8 -8.7 0.1 44 44 A N T 3 S- 0 0 79 -2,-0.7 151,-0.2 1,-0.3 3,-0.1 -0.321 87.5 -7.1 -64.3 124.5 -25.1 -6.1 0.2 45 45 A G T 3 S+ 0 0 18 149,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.550 103.8 122.8 70.7 6.8 -22.8 -6.1 -2.9 46 46 A K < - 0 0 113 -3,-1.7 148,-0.7 148,-0.4 2,-0.7 -0.790 69.8-114.9 -96.9 145.7 -24.5 -9.2 -4.2 47 47 A V E -H 193 0B 49 -2,-0.3 146,-0.2 146,-0.2 2,-0.2 -0.743 39.0-164.0 -89.3 114.5 -26.1 -9.0 -7.7 48 48 A G E -H 192 0B 0 144,-2.7 144,-2.2 -2,-0.7 2,-0.4 -0.553 10.8-137.8-102.9 160.8 -29.8 -9.5 -7.4 49 49 A T E -HI 191 66B 37 17,-2.9 17,-1.7 142,-0.2 2,-0.5 -0.959 9.6-164.9-121.3 132.6 -32.6 -10.3 -9.9 50 50 A A E -HI 190 65B 1 140,-2.8 140,-1.8 -2,-0.4 2,-0.5 -0.966 5.1-177.1-112.7 124.6 -36.1 -8.8 -10.2 51 51 A H E -HI 189 64B 9 13,-2.7 13,-2.4 -2,-0.5 2,-0.4 -0.983 3.7-172.1-113.7 132.0 -38.9 -10.3 -12.2 52 52 A I E -HI 188 63B 1 136,-3.2 136,-2.1 -2,-0.5 2,-0.4 -0.990 8.1-175.5-117.0 129.1 -42.1 -8.5 -12.4 53 53 A I E +HI 187 62B 17 9,-2.2 9,-3.9 -2,-0.4 2,-0.3 -0.986 9.5 160.0-133.0 132.3 -45.1 -10.3 -14.0 54 54 A Y E +HI 186 61B 6 132,-2.9 132,-2.6 -2,-0.4 2,-0.3 -0.991 7.5 173.6-147.2 139.5 -48.6 -9.2 -14.9 55 55 A N E > -H 185 0B 12 5,-0.5 4,-2.3 -2,-0.3 5,-0.4 -0.981 35.2-127.2-141.7 156.2 -51.4 -10.2 -17.2 56 56 A S T 4 S+ 0 0 12 128,-1.4 129,-0.1 -2,-0.3 127,-0.1 0.505 105.0 56.9 -82.5 -6.2 -55.0 -9.0 -17.6 57 57 A V T 4 S+ 0 0 9 127,-0.1 -1,-0.2 3,-0.1 239,-0.1 0.938 118.9 27.1 -81.0 -69.3 -56.5 -12.5 -17.2 58 58 A G T 4 S- 0 0 8 235,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.748 89.1-157.3 -64.0 -28.8 -55.0 -13.4 -13.8 59 59 A K < + 0 0 75 -4,-2.3 20,-1.6 1,-0.2 2,-0.5 0.789 47.0 130.1 55.3 29.3 -54.9 -9.8 -12.8 60 60 A R E - J 0 78B 37 -5,-0.4 2,-0.7 18,-0.2 -5,-0.5 -0.987 49.8-151.3-108.5 119.7 -52.2 -10.5 -10.2 61 61 A L E -IJ 54 77B 2 16,-2.8 16,-1.8 -2,-0.5 2,-0.3 -0.871 26.5-169.8 -87.2 119.3 -49.2 -8.2 -10.5 62 62 A S E -IJ 53 76B 0 -9,-3.9 -9,-2.2 -2,-0.7 2,-0.3 -0.749 16.9-177.6-112.9 162.8 -46.3 -10.3 -9.3 63 63 A A E -IJ 52 75B 1 12,-1.4 12,-2.6 -2,-0.3 2,-0.4 -0.928 4.8-172.7-155.8 132.1 -42.6 -9.7 -8.4 64 64 A V E -IJ 51 74B 3 -13,-2.4 -13,-2.7 -2,-0.3 2,-0.4 -0.953 2.9-170.3-115.3 148.1 -39.7 -11.8 -7.2 65 65 A V E +IJ 50 73B 1 8,-1.8 8,-2.4 -2,-0.4 2,-0.3 -0.950 20.8 165.2-131.3 114.1 -36.3 -10.7 -6.1 66 66 A S E -IJ 49 72B 8 -17,-1.7 -17,-2.9 -2,-0.4 6,-0.2 -0.763 23.8-142.4-123.2 168.8 -33.8 -13.4 -5.6 67 67 A Y > - 0 0 7 4,-1.6 3,-3.5 -2,-0.3 -19,-0.2 -0.927 39.5 -93.0-129.4 159.0 -30.0 -13.6 -5.3 68 68 A P T 3 S+ 0 0 110 0, 0.0 -20,-0.1 0, 0.0 -2,-0.0 0.640 124.0 54.8 -44.1 -24.1 -27.5 -16.0 -6.6 69 69 A N T 3 S- 0 0 111 2,-0.1 3,-0.1 0, 0.0 -3,-0.0 0.603 119.4-106.3 -88.6 -14.5 -27.7 -18.1 -3.4 70 70 A G < + 0 0 48 -3,-3.5 0, 0.0 1,-0.4 0, 0.0 0.121 67.9 144.6 113.3 -19.3 -31.5 -18.5 -3.6 71 71 A D - 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