==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 18-SEP-12 4H55 . COMPND 2 MOLECULE: CONCANAVALIN-BR; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA BRASILIENSIS; . AUTHOR E.SALVIANO,B.A.M.ROCHA,B.S.CAVADA,P.DELATORRE,T.SANTI-GADELH . 234 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 67.9 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 . 99 42.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 26 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 4 0 1 2 2 3 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 141 0, 0.0 215,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -56.5 4.8 15.2 1.2 2 2 A D - 0 0 43 215,-0.1 2,-0.6 227,-0.1 210,-0.0 -0.338 360.0-138.9 -61.2 139.1 8.0 17.2 2.1 3 3 A T - 0 0 41 2,-0.0 210,-0.8 -2,-0.0 2,-0.4 -0.906 28.4-168.6 -95.9 124.3 11.3 15.9 0.8 4 4 A I E +A 212 0A 1 -2,-0.6 26,-3.2 208,-0.2 2,-0.4 -0.941 23.4 179.1-118.9 133.4 13.9 16.3 3.6 5 5 A V E +AB 211 29A 2 206,-2.5 206,-2.8 -2,-0.4 2,-0.4 -0.997 29.2 166.8-120.2 133.5 17.6 16.0 3.7 6 6 A A E -AB 210 28A 1 22,-3.3 22,-3.2 -2,-0.4 2,-0.6 -0.978 43.2-142.6-147.8 149.0 19.1 16.8 7.1 7 7 A V E -AB 209 27A 1 202,-3.3 202,-2.3 -2,-0.4 2,-0.4 -0.962 34.6-159.0-103.4 118.9 21.9 16.7 9.5 8 8 A E E -AB 208 26A 0 18,-3.0 18,-2.3 -2,-0.6 2,-0.9 -0.805 21.2-158.0-103.5 139.3 20.5 15.9 13.0 9 9 A L E -AB 207 25A 0 198,-4.1 198,-1.5 -2,-0.4 2,-0.8 -0.935 27.4-166.0-107.8 101.5 22.1 16.6 16.2 10 10 A D E + B 0 24A 1 14,-3.8 14,-3.0 -2,-0.9 196,-0.2 -0.836 20.7 174.9-108.4 105.8 20.2 14.0 18.1 11 11 A T + 0 0 2 -2,-0.8 195,-0.2 194,-0.5 -1,-0.2 0.657 65.7 58.1 -83.4 -16.6 20.4 14.3 21.8 12 12 A Y S S- 0 0 66 193,-0.8 2,-0.5 12,-0.1 -1,-0.2 -0.927 78.1-131.7-130.8 117.6 17.9 11.6 22.7 13 13 A P - 0 0 25 0, 0.0 2,-1.1 0, 0.0 3,-0.2 -0.433 18.7-175.7 -69.9 106.9 18.2 7.9 21.7 14 14 A N > > + 0 0 17 -2,-0.5 3,-2.0 1,-0.2 5,-1.5 -0.733 9.9 174.8 -99.7 79.7 14.9 6.7 20.3 15 15 A T G > 5 + 0 0 90 -2,-1.1 3,-1.4 1,-0.3 -1,-0.2 0.788 69.9 64.5 -63.4 -26.6 16.0 3.2 19.9 16 16 A D G 3 5S+ 0 0 118 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.0 0.589 108.3 43.1 -76.1 -9.1 12.6 1.9 18.8 17 17 A I G < 5S- 0 0 5 -3,-2.0 -1,-0.3 15,-0.1 -2,-0.2 0.012 131.3 -79.0-123.0 29.7 12.9 4.1 15.6 18 18 A G T < 5S+ 0 0 47 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.023 82.3 134.3 108.5 -32.8 16.4 3.5 14.6 19 19 A D < - 0 0 11 -5,-1.5 -1,-0.3 -7,-0.1 2,-0.1 -0.079 57.7-117.7 -53.9 152.7 18.5 5.7 16.8 20 20 A P - 0 0 24 0, 0.0 -6,-0.1 0, 0.0 4,-0.1 -0.392 37.6 -98.2 -72.9 178.2 21.5 4.2 18.3 21 21 A S S S+ 0 0 96 -2,-0.1 -2,-0.1 -8,-0.1 -6,-0.0 0.037 102.0 63.6 -91.7 25.9 21.4 4.0 22.1 22 22 A Y S S- 0 0 87 -10,-0.1 -8,-0.1 -12,-0.0 2,-0.1 -0.940 100.4 -83.9-135.8 163.5 23.5 7.2 22.4 23 23 A P + 0 0 36 0, 0.0 17,-3.5 0, 0.0 2,-0.3 -0.464 64.3 176.0 -59.9 143.1 23.2 10.8 21.5 24 24 A H E -BC 10 39A 0 -14,-3.0 -14,-3.8 15,-0.3 2,-0.4 -0.973 37.8-125.5-152.8 151.8 24.2 11.0 17.9 25 25 A I E -BC 9 38A 0 13,-2.1 13,-1.6 -2,-0.3 2,-0.4 -0.862 38.8-170.6 -99.1 149.6 24.6 13.1 14.9 26 26 A G E -BC 8 37A 0 -18,-2.3 -18,-3.0 -2,-0.4 2,-0.5 -0.994 29.3-138.1-143.7 144.4 22.9 11.7 11.8 27 27 A I E -BC 7 36A 0 9,-2.4 8,-1.9 -2,-0.4 9,-1.1 -0.932 29.7-164.4 -96.2 126.3 22.5 12.2 8.1 28 28 A D E -B 6 0A 0 -22,-3.2 -22,-3.3 -2,-0.5 2,-0.6 -0.968 11.7-172.3-119.9 124.2 18.9 11.9 7.2 29 29 A I E S-B 5 0A 12 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.926 76.2 -40.1-118.0 99.2 17.8 11.3 3.7 30 30 A K S S+ 0 0 123 -26,-3.2 2,-0.3 -2,-0.6 -25,-0.1 0.623 128.4 68.3 63.4 18.2 14.0 11.5 3.4 31 31 A S S S- 0 0 12 -27,-0.2 -2,-0.2 1,-0.0 4,-0.2 -0.950 77.8-131.4-163.6 142.8 13.6 9.6 6.7 32 32 A V S S+ 0 0 0 202,-0.6 2,-1.1 200,-0.4 201,-0.1 0.611 91.2 90.6 -73.2 -13.4 14.2 10.2 10.3 33 33 A R S S- 0 0 99 201,-0.7 -4,-0.3 -4,-0.1 -15,-0.1 -0.795 90.1-128.8 -83.3 107.0 16.0 6.9 10.5 34 34 A S - 0 0 28 -2,-1.1 -6,-0.3 1,-0.1 3,-0.1 -0.249 9.4-143.5 -59.9 143.7 19.4 8.2 9.7 35 35 A K S S+ 0 0 96 -8,-1.9 2,-0.3 1,-0.3 -7,-0.1 0.767 90.0 10.6 -71.2 -28.0 21.3 6.6 6.9 36 36 A K E S+C 27 0A 91 -9,-1.1 -9,-2.4 41,-0.1 2,-0.3 -0.983 70.8 175.8-154.3 140.2 24.4 7.2 8.9 37 37 A T E -C 26 0A 49 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.864 13.7-156.1-140.7 170.4 25.2 8.3 12.5 38 38 A A E -C 25 0A 21 -13,-1.6 -13,-2.1 -2,-0.3 2,-0.1 -0.977 37.4 -98.1-146.4 141.1 28.1 8.8 14.9 39 39 A K E -C 24 0A 149 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.414 44.0-164.5 -58.4 132.4 28.0 8.8 18.6 40 40 A W - 0 0 2 -17,-3.5 2,-1.5 -30,-0.2 -1,-0.0 -0.961 19.1-147.4-128.8 121.3 27.9 12.4 19.8 41 41 A N - 0 0 86 -2,-0.5 2,-0.1 -19,-0.1 -30,-0.1 -0.635 20.8-153.2 -81.3 84.3 28.7 13.6 23.3 42 42 A M - 0 0 20 -2,-1.5 2,-0.8 -32,-0.1 25,-0.0 -0.439 10.3-141.1 -52.3 126.8 26.3 16.6 23.6 43 43 A Q > - 0 0 26 3,-0.1 3,-2.3 -2,-0.1 153,-0.3 -0.852 20.0-125.1-104.5 108.9 27.9 19.0 26.1 44 44 A N T 3 S- 0 0 78 -2,-0.8 153,-0.2 1,-0.3 3,-0.1 -0.195 85.8 -1.1 -59.9 126.5 25.2 20.4 28.2 45 45 A G T 3 S+ 0 0 22 151,-3.3 2,-0.3 1,-0.2 -1,-0.3 0.470 103.6 119.8 75.8 1.4 25.1 24.2 28.3 46 46 A K S < S- 0 0 120 -3,-2.3 150,-0.7 150,-0.4 2,-0.5 -0.731 70.4-109.2-101.4 152.2 28.1 24.6 26.0 47 47 A V E -H 195 0B 52 -2,-0.3 148,-0.2 148,-0.2 2,-0.2 -0.651 40.7-169.9 -79.3 120.8 28.2 26.3 22.7 48 48 A G E -H 194 0B 0 146,-3.5 146,-2.3 -2,-0.5 2,-0.4 -0.671 11.9-144.5-108.6 165.6 28.6 23.8 19.9 49 49 A T E -HI 193 66B 39 17,-2.4 17,-1.8 144,-0.3 2,-0.4 -0.995 7.6-163.1-130.2 131.2 29.3 24.2 16.2 50 50 A A E -HI 192 65B 0 142,-4.0 142,-2.3 -2,-0.4 2,-0.4 -0.927 2.6-169.3-109.6 139.3 28.0 22.2 13.4 51 51 A H E -HI 191 64B 58 13,-2.6 13,-2.1 -2,-0.4 2,-0.4 -0.999 1.0-170.2-121.6 129.3 29.5 22.2 9.9 52 52 A I E -HI 190 63B 1 138,-3.2 138,-2.3 -2,-0.4 2,-0.4 -0.968 9.5-178.6-116.7 133.1 27.6 20.5 7.0 53 53 A I E +HI 189 62B 85 9,-3.0 9,-3.0 -2,-0.4 2,-0.3 -1.000 8.0 162.0-138.8 128.7 29.6 20.1 3.7 54 54 A Y E +HI 188 61B 6 134,-2.8 134,-2.7 -2,-0.4 2,-0.3 -0.977 8.2 177.7-143.5 138.4 28.4 18.6 0.4 55 55 A N E >> -HI 187 60B 56 5,-0.6 4,-2.4 -2,-0.3 5,-0.6 -0.997 32.9-131.4-134.3 147.7 29.7 18.8 -3.1 56 56 A S T 45S+ 0 0 13 130,-1.9 131,-0.1 -2,-0.3 129,-0.1 0.495 103.0 61.4 -68.4 -8.6 28.3 17.1 -6.2 57 57 A V T 45S+ 0 0 100 129,-0.1 -1,-0.2 3,-0.1 128,-0.0 0.950 117.0 24.7 -76.1 -61.6 31.8 15.9 -7.2 58 58 A G T 45S- 0 0 52 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.815 92.9-151.9 -72.7 -30.2 32.7 13.8 -4.2 59 59 A K T <5 + 0 0 64 -4,-2.4 20,-1.8 1,-0.3 2,-0.5 0.879 49.2 131.7 56.8 44.2 28.9 13.3 -3.6 60 60 A R E < -IJ 55 78B 109 -5,-0.6 -5,-0.6 18,-0.3 2,-0.5 -0.997 47.0-152.7-127.3 122.6 29.6 12.8 0.1 61 61 A L E -IJ 54 77B 1 16,-3.3 16,-2.1 -2,-0.5 2,-0.3 -0.884 23.8-179.3 -98.7 126.8 27.5 14.7 2.6 62 62 A S E -IJ 53 76B 24 -9,-3.0 -9,-3.0 -2,-0.5 2,-0.3 -0.945 16.6-177.3-130.7 152.2 29.4 15.4 5.8 63 63 A A E -IJ 52 75B 2 12,-2.4 12,-3.0 -2,-0.3 2,-0.4 -0.974 3.1-171.5-138.7 147.8 28.8 17.0 9.1 64 64 A V E -IJ 51 74B 37 -13,-2.1 -13,-2.6 -2,-0.3 2,-0.5 -0.987 4.4-165.6-136.8 137.1 31.0 17.5 12.1 65 65 A V E +IJ 50 73B 1 8,-2.6 8,-3.1 -2,-0.4 2,-0.3 -0.997 18.8 167.7-121.0 126.1 29.8 18.8 15.4 66 66 A S E -IJ 49 72B 30 -17,-1.8 -17,-2.4 -2,-0.5 6,-0.2 -0.899 24.0-146.3-131.0 163.3 32.4 20.0 17.9 67 67 A Y > - 0 0 9 4,-2.3 3,-1.9 -2,-0.3 -19,-0.1 -0.830 40.4 -96.7-119.1 167.3 32.6 21.9 21.1 68 68 A P T 3 S+ 0 0 114 0, 0.0 -20,-0.1 0, 0.0 4,-0.1 0.621 121.3 63.0 -53.6 -28.2 35.4 24.2 22.3 69 69 A N T 3 S- 0 0 111 2,-0.1 3,-0.1 1,-0.0 -3,-0.0 0.588 118.8-116.2 -76.4 -12.2 37.2 21.5 24.4 70 70 A G < + 0 0 49 -3,-1.9 2,-0.1 1,-0.4 -1,-0.0 0.348 67.8 143.4 98.0 -6.6 37.6 20.0 21.0 71 71 A D + 0 0 71 -5,-0.1 -4,-2.3 -30,-0.0 -1,-0.4 -0.516 28.9 173.6 -59.4 135.0 35.6 16.9 21.4 72 72 A S E -J 66 0B 62 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.3 -0.989 25.1-151.1-145.9 147.9 33.9 16.5 18.0 73 73 A A E -J 65 0B 7 -8,-3.1 -8,-2.6 -2,-0.3 2,-0.4 -0.950 16.3-162.5-118.9 140.5 31.8 13.9 16.3 74 74 A T E -J 64 0B 90 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.947 10.3-179.2-132.6 145.5 31.7 13.4 12.5 75 75 A V E -J 63 0B 5 -12,-3.0 -12,-2.4 -2,-0.4 2,-0.3 -0.989 1.9-177.8-142.2 142.3 29.5 11.7 10.1 76 76 A S E -J 62 0B 18 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.991 2.7-176.6-139.1 148.9 29.6 11.2 6.3 77 77 A Y E -J 61 0B 67 -16,-2.1 -16,-3.3 -2,-0.3 2,-0.6 -0.956 24.2-132.7-150.6 132.7 27.3 9.6 3.8 78 78 A D E +J 60 0B 101 -2,-0.3 2,-0.3 -18,-0.3 -18,-0.3 -0.753 47.8 144.0 -88.0 117.5 27.8 9.0 0.0 79 79 A V - 0 0 19 -20,-1.8 2,-1.2 -2,-0.6 3,-0.1 -0.974 51.5-128.8-157.2 134.9 24.6 10.2 -1.6 80 80 A D > - 0 0 47 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 -0.740 21.1-169.4 -90.0 100.3 23.7 11.9 -4.8 81 81 A L G >> S+ 0 0 4 -2,-1.2 4,-3.1 1,-0.3 3,-0.9 0.694 79.8 71.1 -67.5 -19.2 21.6 14.7 -3.7 82 82 A D G 34 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.789 100.8 50.0 -58.4 -31.1 20.5 15.5 -7.3 83 83 A N G <4 S+ 0 0 136 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.607 118.8 37.1 -82.5 -13.8 18.5 12.3 -7.1 84 84 A V T <4 S+ 0 0 25 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 0.842 107.9 54.6-106.5 -48.0 17.0 13.3 -3.8 85 85 A L S < S- 0 0 5 -4,-3.1 -1,-0.1 1,-0.1 4,-0.1 -0.605 79.0-112.8 -99.1 148.6 16.2 17.0 -3.7 86 86 A P - 0 0 51 0, 0.0 92,-0.2 0, 0.0 -1,-0.1 -0.460 41.5-103.5 -73.6 160.1 14.2 19.1 -6.0 87 87 A E S S+ 0 0 65 91,-0.1 91,-1.5 90,-0.1 92,-1.2 0.778 109.0 46.2 -46.5 -40.1 16.3 21.6 -7.9 88 88 A W E S+D 177 0A 105 89,-0.2 126,-0.5 90,-0.1 2,-0.3 -0.940 73.7 161.2-116.6 137.7 15.1 24.4 -5.6 89 89 A V E -DE 176 213A 0 87,-2.6 87,-3.6 -2,-0.4 2,-0.4 -0.832 34.7-123.5-139.3 168.2 14.9 24.1 -2.0 90 90 A R E - 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