==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 29-JUN-11 3SNM . COMPND 2 MOLECULE: CONCANAVALIN-A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA LINEATA; . AUTHOR P.DELATORRE,J.C.SILVA-FILHO,R.B.NOBREGA,B.C.ROCHA,B.S.CAVADA . 231 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 65.4 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 . 94 40.7 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 . 3 1.3 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 . 1 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 . 24 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 . 0 3 0 1 3 1 3 1 1 1 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 2 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 0 134 0, 0.0 2,-0.1 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0 162.1 -28.5 -14.8 -2.2 2 2 A D - 0 0 43 213,-0.1 2,-0.7 225,-0.1 208,-0.0 -0.360 360.0-129.7 -62.6 134.4 -25.5 -17.2 -2.5 3 3 A T - 0 0 34 -2,-0.1 208,-0.8 2,-0.0 2,-0.4 -0.780 39.5-176.0 -81.3 122.4 -22.4 -16.0 -0.9 4 4 A I E +A 210 0A 0 -2,-0.7 26,-2.8 206,-0.2 2,-0.3 -0.927 26.1 178.5-124.4 143.1 -19.8 -16.4 -3.6 5 5 A V E +AB 209 29A 3 204,-2.6 204,-2.4 -2,-0.4 2,-0.3 -0.988 26.7 163.9-129.4 142.5 -16.0 -16.0 -3.9 6 6 A A E -AB 208 28A 1 22,-2.7 22,-3.8 -2,-0.3 2,-0.5 -0.994 42.3-138.5-157.1 154.1 -14.5 -16.8 -7.2 7 7 A V E -AB 207 27A 2 200,-2.7 200,-3.0 -2,-0.3 2,-0.5 -0.980 36.0-155.8-112.4 127.5 -11.6 -16.6 -9.6 8 8 A E E -AB 206 26A 0 18,-3.8 18,-2.3 -2,-0.5 2,-0.8 -0.878 21.3-155.8-112.8 134.9 -12.9 -15.9 -13.0 9 9 A L E -AB 205 25A 0 196,-3.6 196,-1.5 -2,-0.5 2,-0.8 -0.937 28.5-164.8-104.1 108.4 -11.4 -16.7 -16.2 10 10 A D E +AB 204 24A 2 14,-4.1 14,-2.9 -2,-0.8 194,-0.2 -0.841 23.5 170.6-113.5 100.2 -13.3 -14.0 -18.2 11 11 A T + 0 0 6 192,-1.4 193,-0.2 -2,-0.8 -1,-0.2 0.685 65.0 62.5 -83.6 -21.7 -13.1 -14.4 -21.9 12 12 A Y S S- 0 0 70 191,-1.3 2,-0.8 12,-0.1 -1,-0.2 -0.897 75.2-137.7-116.7 116.0 -15.7 -11.8 -22.7 13 13 A P + 0 0 35 0, 0.0 2,-0.9 0, 0.0 8,-0.1 -0.512 21.5 177.9 -64.9 102.0 -15.3 -8.0 -21.8 14 14 A N > > + 0 0 24 -2,-0.8 3,-1.8 6,-0.1 5,-1.6 -0.776 6.5 172.9-102.1 81.1 -18.6 -6.8 -20.6 15 15 A T T 3 5 + 0 0 81 -2,-0.9 3,-0.4 1,-0.3 -1,-0.1 0.451 65.2 71.4 -80.7 5.3 -17.4 -3.4 -19.9 16 16 A D T 3 5S+ 0 0 141 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.416 107.1 39.2 -89.7 4.6 -20.9 -2.0 -19.0 17 17 A I T < 5S- 0 0 5 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.044 133.4 -75.9-135.4 26.6 -20.7 -4.0 -15.8 18 18 A G T 5S+ 0 0 46 -3,-0.4 -3,-0.2 1,-0.3 3,-0.0 0.077 81.0 135.8 108.5 -30.5 -17.1 -3.6 -14.8 19 19 A D < - 0 0 12 -5,-1.6 -1,-0.3 -7,-0.1 2,-0.1 -0.183 59.8-117.9 -45.9 148.1 -15.0 -5.8 -16.9 20 20 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.371 39.7-100.0 -67.9 175.5 -12.0 -4.2 -18.2 21 21 A S S S+ 0 0 91 -2,-0.1 -2,-0.1 -8,-0.1 18,-0.0 -0.283 99.4 65.0-100.7 43.8 -12.3 -4.1 -21.9 22 22 A Y S S- 0 0 87 -2,-0.2 -8,-0.1 -12,-0.1 2,-0.1 -0.918 101.1 -78.2-140.2 167.3 -10.0 -7.2 -22.5 23 23 A P + 0 0 45 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.430 67.9 173.9 -51.4 142.0 -10.2 -10.9 -21.7 24 24 A H E -BC 10 39A 0 -14,-2.9 -14,-4.1 15,-0.3 2,-0.4 -0.992 39.1-128.7-155.5 153.6 -9.2 -11.1 -18.1 25 25 A I E -BC 9 38A 0 13,-1.7 13,-1.5 -2,-0.3 2,-0.4 -0.887 37.7-174.3 -97.4 147.7 -8.9 -13.1 -14.9 26 26 A G E -BC 8 37A 0 -18,-2.3 -18,-3.8 -2,-0.4 2,-0.6 -0.998 31.2-133.9-146.0 145.4 -10.5 -11.8 -11.9 27 27 A I E -BC 7 36A 0 9,-2.6 9,-1.3 -2,-0.4 8,-1.1 -0.922 29.4-163.8 -90.7 122.6 -11.0 -12.3 -8.2 28 28 A D E -B 6 0A 0 -22,-3.8 -22,-2.7 -2,-0.6 2,-0.6 -0.921 9.5-174.7-111.9 125.2 -14.7 -11.9 -7.4 29 29 A I E S-B 5 0A 15 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.908 74.7 -38.0-122.6 101.7 -15.8 -11.4 -3.8 30 30 A K S S+ 0 0 109 -26,-2.8 2,-0.3 -2,-0.6 -25,-0.1 0.574 129.0 66.2 63.8 8.5 -19.5 -11.4 -3.3 31 31 A S S S- 0 0 11 -27,-0.2 4,-0.2 201,-0.1 -2,-0.1 -0.997 78.3-129.3-153.3 162.6 -19.9 -9.6 -6.6 32 32 A V S S+ 0 0 1 -2,-0.3 2,-0.9 198,-0.3 199,-0.1 0.462 90.6 89.0 -89.7 5.3 -19.4 -10.2 -10.3 33 33 A R S S- 0 0 101 -4,-0.1 -4,-0.3 -15,-0.0 -15,-0.1 -0.866 92.1-120.7-104.4 108.1 -17.5 -7.0 -10.6 34 34 A S - 0 0 25 -2,-0.9 -6,-0.2 1,-0.2 3,-0.1 -0.228 9.9-147.5 -66.8 126.6 -14.1 -8.2 -9.8 35 35 A K S S+ 0 0 97 -8,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.837 91.9 6.4 -51.9 -28.1 -12.3 -6.6 -6.8 36 36 A K E S+C 27 0A 82 -9,-1.3 -9,-2.6 41,-0.1 2,-0.2 -0.983 72.3 173.7-158.7 143.5 -9.3 -7.2 -9.0 37 37 A T E -C 26 0A 45 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.806 13.9-151.5-144.5 179.9 -8.4 -8.4 -12.5 38 38 A A E -C 25 0A 20 -13,-1.5 -13,-1.7 -2,-0.2 2,-0.2 -0.985 36.9 -96.2-154.5 145.1 -5.6 -8.8 -14.9 39 39 A K E -C 24 0A 143 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.465 45.5-167.9 -65.1 131.1 -5.4 -8.8 -18.6 40 40 A W - 0 0 5 -17,-2.4 2,-1.2 -2,-0.2 26,-0.1 -0.978 19.7-145.8-125.7 125.3 -5.6 -12.5 -19.8 41 41 A N - 0 0 98 -2,-0.4 2,-0.9 -19,-0.1 -30,-0.1 -0.668 17.7-152.7 -78.0 86.1 -4.9 -13.8 -23.3 42 42 A M - 0 0 19 -2,-1.2 2,-0.9 -32,-0.1 -2,-0.0 -0.483 11.5-145.1 -60.8 101.0 -7.4 -16.7 -23.7 43 43 A Q > - 0 0 22 -2,-0.9 3,-2.6 1,-0.1 151,-0.3 -0.583 21.4-124.3 -76.0 108.3 -5.5 -18.9 -26.2 44 44 A N T 3 S+ 0 0 79 -2,-0.9 151,-0.2 1,-0.3 3,-0.1 -0.106 85.6 2.2 -56.9 130.0 -8.2 -20.5 -28.3 45 45 A G T 3 S+ 0 0 24 149,-2.7 -1,-0.3 1,-0.2 2,-0.2 0.362 102.3 121.0 80.2 -6.6 -8.3 -24.1 -28.5 46 46 A K < - 0 0 106 -3,-2.6 148,-0.7 148,-0.3 2,-0.4 -0.565 67.5-111.8 -94.1 152.3 -5.3 -24.6 -26.1 47 47 A V E -H 193 0B 53 -2,-0.2 2,-0.3 146,-0.2 146,-0.2 -0.627 40.6-168.2 -81.5 134.9 -5.3 -26.4 -22.9 48 48 A G E -H 192 0B 0 144,-3.7 144,-2.4 -2,-0.4 2,-0.4 -0.876 14.3-145.2-122.8 161.7 -4.9 -24.1 -20.0 49 49 A T E -HI 191 66B 42 17,-2.5 17,-2.6 -2,-0.3 2,-0.4 -0.994 8.5-165.4-131.0 132.9 -4.2 -24.4 -16.3 50 50 A A E -HI 190 65B 1 140,-3.4 140,-2.0 -2,-0.4 2,-0.5 -0.938 2.4-168.6-113.3 130.2 -5.5 -22.3 -13.4 51 51 A H E -HI 189 64B 71 13,-2.6 13,-2.1 -2,-0.4 2,-0.4 -0.994 0.4-170.0-118.2 128.6 -4.0 -22.3 -10.0 52 52 A I E -HI 188 63B 1 136,-3.0 136,-2.6 -2,-0.5 2,-0.4 -0.958 8.7-178.8-117.3 129.7 -5.8 -20.6 -7.1 53 53 A I E +HI 187 62B 95 9,-2.4 9,-2.8 -2,-0.4 2,-0.3 -0.996 8.4 159.8-129.0 128.0 -3.9 -20.2 -3.8 54 54 A Y E -H 186 0B 6 132,-2.6 132,-3.0 -2,-0.4 2,-0.4 -0.970 9.7-178.4-146.2 141.2 -5.1 -18.7 -0.5 55 55 A N E > -H 185 0B 55 5,-0.4 4,-1.6 -2,-0.3 5,-0.5 -0.994 31.9-130.7-130.3 152.2 -4.0 -18.9 3.0 56 56 A S T 4 S+ 0 0 10 128,-1.1 129,-0.1 -2,-0.4 26,-0.1 0.653 102.5 60.3 -65.7 -21.6 -5.4 -17.4 6.2 57 57 A V T 4 S+ 0 0 95 1,-0.1 -1,-0.1 3,-0.1 126,-0.0 0.988 118.5 22.3 -75.2 -65.5 -2.0 -16.2 7.2 58 58 A G T 4 S- 0 0 52 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.735 94.7-151.3 -67.6 -23.0 -0.9 -13.9 4.4 59 59 A K < + 0 0 74 -4,-1.6 20,-1.9 1,-0.2 2,-0.5 0.873 46.6 133.7 52.5 48.1 -4.7 -13.5 3.6 60 60 A R E - J 0 78B 115 -5,-0.5 2,-0.5 18,-0.2 -5,-0.4 -0.988 47.6-147.7-131.2 116.2 -4.1 -13.0 -0.2 61 61 A L E - J 0 77B 2 16,-3.0 16,-2.5 -2,-0.5 2,-0.3 -0.765 26.1-179.3 -87.8 130.5 -6.1 -14.8 -2.7 62 62 A S E -IJ 53 76B 23 -9,-2.8 -9,-2.4 -2,-0.5 2,-0.3 -0.907 15.0-178.1-132.5 156.0 -4.1 -15.4 -5.8 63 63 A A E -IJ 52 75B 2 12,-2.2 12,-2.9 -2,-0.3 2,-0.4 -0.967 5.5-168.8-152.7 132.3 -4.7 -17.0 -9.2 64 64 A V E -IJ 51 74B 40 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.5 -0.993 5.2-169.8-119.1 135.9 -2.4 -17.7 -12.1 65 65 A V E +IJ 50 73B 0 8,-3.0 8,-3.8 -2,-0.4 2,-0.3 -0.994 20.8 157.7-118.5 134.1 -3.8 -18.8 -15.4 66 66 A S E -IJ 49 72B 30 -17,-2.6 -17,-2.5 -2,-0.5 6,-0.2 -0.922 30.0-136.1-149.3 175.6 -1.4 -19.9 -18.0 67 67 A Y > - 0 0 9 4,-2.1 3,-2.2 -2,-0.3 -19,-0.1 -0.865 38.4 -98.2-132.8 167.0 -0.8 -21.9 -21.1 68 68 A P T 3 S+ 0 0 114 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 0.524 117.4 63.6 -63.1 -19.8 1.9 -24.3 -22.3 69 69 A N T 3 S- 0 0 101 2,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.450 118.1-106.7 -85.7 -5.4 3.6 -21.6 -24.3 70 70 A G S < S+ 0 0 56 -3,-2.2 -1,-0.0 1,-0.4 0, 0.0 0.079 74.8 132.8 106.5 -24.4 4.4 -19.6 -21.2 71 71 A D + 0 0 70 -5,-0.1 -4,-2.1 -30,-0.0 -1,-0.4 -0.372 33.5 169.2 -54.3 156.1 2.0 -16.8 -21.4 72 72 A S E -J 66 0B 67 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.3 -0.965 27.8-147.9-170.7 141.0 0.5 -16.4 -18.1 73 73 A A E -J 65 0B 9 -8,-3.8 -8,-3.0 -2,-0.3 2,-0.4 -0.989 13.9-166.3-129.7 139.3 -1.7 -14.1 -16.1 74 74 A T E +J 64 0B 84 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.864 7.5 179.2-120.6 142.5 -1.7 -13.4 -12.4 75 75 A V E -J 63 0B 4 -12,-2.9 -12,-2.2 -2,-0.4 2,-0.4 -0.998 2.5-177.4-142.1 143.3 -4.0 -11.8 -10.1 76 76 A S E -J 62 0B 22 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.990 2.5-173.9-134.3 150.0 -3.9 -11.3 -6.4 77 77 A Y E -J 61 0B 69 -16,-2.5 -16,-3.0 -2,-0.4 2,-0.7 -0.958 22.8-133.6-151.1 126.4 -6.2 -9.7 -3.9 78 78 A D E +J 60 0B 94 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.712 50.7 135.5 -81.9 119.5 -5.8 -9.0 -0.2 79 79 A V - 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