==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 23-NOV-12 4I30 . COMPND 2 MOLECULE: CONCANAVALIN-A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA LINEATA; . AUTHOR P.DELATORRE,J.C.SILVA-FILHO,R.B.NOBREGA,C.A.A.GADELHA,B.S.CA . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 68.1 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 . 98 42.2 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 . 27 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 3 1.3 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 . 1 3 0 1 3 1 3 1 0 1 1 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 0 140 0, 0.0 214,-0.1 0, 0.0 228,-0.0 0.000 360.0 360.0 360.0 114.5 -5.1 -20.5 -2.4 2 2 A D - 0 0 40 214,-0.1 2,-0.5 226,-0.1 211,-0.0 -0.308 360.0-118.8 -52.9 144.5 -8.0 -18.0 -2.2 3 3 A T - 0 0 35 226,-0.0 209,-0.7 2,-0.0 2,-0.5 -0.789 38.5-170.7 -85.0 126.9 -11.3 -19.2 -0.9 4 4 A I E +A 211 0A 0 -2,-0.5 26,-3.3 207,-0.2 2,-0.4 -0.966 23.6 177.2-125.2 133.1 -13.9 -18.9 -3.7 5 5 A V E +AB 210 29A 3 205,-2.7 205,-2.4 -2,-0.5 2,-0.3 -0.999 29.2 165.4-121.4 131.8 -17.6 -19.3 -3.8 6 6 A A E -AB 209 28A 1 22,-3.1 22,-3.9 -2,-0.4 2,-0.5 -0.982 42.6-143.0-147.8 151.0 -19.0 -18.5 -7.2 7 7 A V E -AB 208 27A 1 201,-2.7 201,-2.4 -2,-0.3 2,-0.4 -0.983 34.9-159.5-105.0 130.3 -21.9 -18.7 -9.5 8 8 A E E -AB 207 26A 0 18,-2.5 18,-2.4 -2,-0.5 2,-0.7 -0.869 22.5-155.3-114.8 141.3 -20.5 -19.3 -12.9 9 9 A L E -AB 206 25A 0 197,-2.9 197,-1.5 -2,-0.4 2,-0.8 -0.957 27.7-166.4-108.9 100.5 -22.2 -18.7 -16.2 10 10 A D E +AB 205 24A 1 14,-3.5 14,-2.5 -2,-0.7 195,-0.2 -0.838 17.6 178.3-106.7 106.2 -20.1 -21.2 -18.1 11 11 A T + 0 0 0 193,-1.2 194,-0.2 -2,-0.8 -1,-0.2 0.714 65.2 57.5 -84.0 -19.0 -20.5 -20.8 -21.8 12 12 A Y S S- 0 0 62 192,-0.9 2,-0.7 10,-0.1 -1,-0.1 -0.955 78.5-129.8-119.7 126.5 -18.1 -23.6 -22.8 13 13 A P + 0 0 25 0, 0.0 2,-0.9 0, 0.0 3,-0.2 -0.581 20.7 179.0 -77.2 104.9 -18.3 -27.3 -21.8 14 14 A N > > + 0 0 19 -2,-0.7 5,-2.0 1,-0.2 3,-1.9 -0.787 9.5 170.6 -93.7 76.5 -15.0 -28.6 -20.5 15 15 A T G > 5 + 0 0 76 -2,-0.9 3,-1.4 1,-0.3 -1,-0.2 0.717 68.9 77.3 -64.3 -20.7 -16.5 -32.0 -20.0 16 16 A D G 3 5S+ 0 0 135 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.0 0.884 100.7 34.2 -44.6 -49.0 -12.9 -32.8 -19.3 17 17 A I G < 5S- 0 0 8 -3,-1.9 -1,-0.2 3,-0.1 -2,-0.2 -0.148 132.5 -82.3-112.7 36.3 -13.1 -31.3 -15.9 18 18 A G T < 5S+ 0 0 50 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.462 79.3 144.5 73.6 6.4 -16.7 -32.2 -15.0 19 19 A D < - 0 0 9 -5,-2.0 -1,-0.3 1,-0.1 14,-0.1 -0.400 60.4-108.7 -47.4 146.6 -18.6 -29.5 -16.8 20 20 A P - 0 0 23 0, 0.0 -6,-0.1 0, 0.0 -3,-0.1 -0.247 37.7-100.0 -63.7 178.0 -21.7 -30.9 -18.1 21 21 A S S S+ 0 0 92 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.110 102.3 55.1-105.2 38.6 -21.5 -31.2 -21.9 22 22 A Y S S- 0 0 92 -10,-0.1 -8,-0.1 -12,-0.1 -10,-0.1 -0.930 103.0 -78.4-145.2 164.2 -23.4 -28.1 -22.5 23 23 A P + 0 0 32 0, 0.0 17,-3.1 0, 0.0 2,-0.3 -0.376 63.8 170.1 -59.0 151.4 -23.1 -24.5 -21.4 24 24 A H E -BC 10 39A 0 -14,-2.5 -14,-3.5 15,-0.3 2,-0.4 -0.966 40.1-120.1-155.7 160.8 -24.4 -24.2 -17.9 25 25 A I E -BC 9 38A 0 13,-1.9 13,-2.0 -2,-0.3 2,-0.3 -0.892 41.8-177.7-103.0 146.1 -24.7 -22.1 -14.9 26 26 A G E -BC 8 37A 0 -18,-2.4 -18,-2.5 -2,-0.4 2,-0.6 -0.982 31.0-127.1-143.2 158.5 -23.1 -23.6 -11.9 27 27 A I E -BC 7 36A 0 9,-2.8 8,-2.6 -2,-0.3 9,-1.1 -0.917 27.9-162.1-105.4 122.4 -22.5 -23.1 -8.2 28 28 A D E -B 6 0A 0 -22,-3.9 -22,-3.1 -2,-0.6 2,-0.6 -0.927 11.4-177.0-108.6 122.2 -18.8 -23.3 -7.3 29 29 A I E S-B 5 0A 16 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.960 79.2 -38.2-120.7 99.0 -17.8 -23.9 -3.7 30 30 A K S S+ 0 0 120 -26,-3.3 2,-0.3 -2,-0.6 -25,-0.1 0.610 127.9 71.4 64.5 20.4 -14.1 -23.8 -3.6 31 31 A S S S- 0 0 12 -27,-0.2 -2,-0.3 1,-0.1 -25,-0.1 -0.948 76.0-132.1-160.4 146.0 -13.8 -25.6 -6.8 32 32 A V S S+ 0 0 1 199,-0.4 2,-0.9 -2,-0.3 -1,-0.1 0.744 92.6 85.2 -74.4 -18.0 -14.3 -24.9 -10.4 33 33 A R S S- 0 0 102 -4,-0.1 -4,-0.3 -3,-0.1 -15,-0.1 -0.763 92.5-124.5 -82.5 115.6 -16.2 -28.2 -10.7 34 34 A S - 0 0 25 -2,-0.9 -6,-0.3 1,-0.2 3,-0.1 -0.183 7.8-143.7 -64.3 144.4 -19.6 -26.9 -9.7 35 35 A K S S+ 0 0 97 -8,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.750 94.1 15.9 -75.7 -22.7 -21.4 -28.7 -6.8 36 36 A K E S+C 27 0A 88 -9,-1.1 -9,-2.8 41,-0.1 2,-0.3 -0.995 71.0 179.2-151.0 144.3 -24.3 -28.0 -8.9 37 37 A T E -C 26 0A 46 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.922 10.3-160.9-140.8 163.7 -25.1 -27.0 -12.5 38 38 A A E -C 25 0A 17 -13,-2.0 -13,-1.9 -2,-0.3 37,-0.1 -0.993 38.4 -96.7-139.7 145.7 -28.1 -26.4 -14.7 39 39 A K E -C 24 0A 120 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.393 43.1-163.8 -60.4 139.1 -28.2 -26.3 -18.5 40 40 A W - 0 0 5 -17,-3.1 2,-1.3 -30,-0.2 33,-0.1 -0.967 18.2-151.6-135.0 121.1 -27.9 -22.8 -19.8 41 41 A N - 0 0 93 -2,-0.5 2,-0.3 -19,-0.1 -30,-0.1 -0.735 21.0-152.5 -85.0 87.7 -28.7 -21.6 -23.3 42 42 A M - 0 0 28 -2,-1.3 2,-0.9 -31,-0.1 25,-0.0 -0.570 7.2-142.5 -52.7 127.9 -26.3 -18.7 -23.7 43 43 A Q > - 0 0 32 -2,-0.3 3,-2.7 3,-0.1 152,-0.3 -0.835 20.3-131.2-102.9 97.5 -27.9 -16.2 -26.1 44 44 A N T 3 S+ 0 0 73 -2,-0.9 152,-0.3 1,-0.3 3,-0.1 -0.170 86.6 5.0 -51.1 133.5 -25.0 -14.8 -28.1 45 45 A G T 3 S+ 0 0 27 150,-2.7 -1,-0.3 1,-0.2 2,-0.3 0.552 105.4 117.9 72.5 1.9 -25.1 -11.0 -28.3 46 46 A K E < -H 195 0B 108 -3,-2.7 149,-0.9 149,-0.6 2,-0.7 -0.695 69.6-117.2-104.9 154.3 -28.0 -10.8 -26.0 47 47 A V E -H 194 0B 50 -2,-0.3 147,-0.2 147,-0.2 2,-0.2 -0.837 36.7-173.3 -98.6 117.3 -28.0 -9.1 -22.6 48 48 A G E -H 193 0B 0 145,-2.5 145,-2.2 -2,-0.7 2,-0.4 -0.532 13.8-143.2-100.4 170.6 -28.7 -11.7 -19.9 49 49 A T E -HI 192 66B 37 17,-3.0 17,-3.4 143,-0.2 2,-0.4 -0.992 9.1-162.5-136.9 136.0 -29.3 -11.0 -16.1 50 50 A A E -HI 191 65B 0 141,-2.5 141,-2.6 -2,-0.4 2,-0.4 -0.986 3.4-164.8-112.2 132.9 -28.0 -13.3 -13.4 51 51 A H E -HI 190 64B 67 13,-3.0 13,-1.9 -2,-0.4 2,-0.4 -0.933 2.0-168.4-112.8 144.1 -29.5 -13.1 -9.9 52 52 A I E +HI 189 63B 0 137,-2.6 137,-2.3 -2,-0.4 2,-0.4 -0.994 9.2 178.9-134.7 131.5 -27.7 -14.8 -7.0 53 53 A I E +HI 188 62B 79 9,-2.0 9,-2.5 -2,-0.4 2,-0.3 -0.995 7.3 160.5-142.1 123.9 -29.4 -15.1 -3.7 54 54 A Y E -H 187 0B 6 133,-2.9 133,-2.9 -2,-0.4 2,-0.4 -0.995 9.1-178.6-139.6 149.6 -28.3 -16.6 -0.4 55 55 A N E >> -H 186 0B 57 5,-0.4 4,-2.1 -2,-0.3 5,-0.7 -0.991 33.8-127.0-143.2 152.4 -29.4 -16.3 3.2 56 56 A S T 45S+ 0 0 12 129,-2.8 130,-0.1 -2,-0.4 26,-0.1 0.486 105.4 57.1 -71.5 -7.4 -28.0 -17.9 6.3 57 57 A V T 45S+ 0 0 97 128,-0.2 -1,-0.2 3,-0.1 129,-0.1 0.940 116.5 27.6 -86.7 -63.7 -31.5 -19.2 7.2 58 58 A G T 45S- 0 0 52 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.760 92.9-151.9 -64.7 -25.4 -32.5 -21.3 4.2 59 59 A K T <5 + 0 0 71 -4,-2.1 20,-1.1 1,-0.2 2,-0.4 0.958 49.3 130.5 47.7 57.5 -28.7 -21.9 3.5 60 60 A R E < - J 0 78B 119 -5,-0.7 2,-0.5 18,-0.2 -5,-0.4 -0.935 49.6-152.7-141.1 117.6 -29.4 -22.3 -0.1 61 61 A L E - J 0 77B 2 16,-3.0 16,-2.4 -2,-0.4 2,-0.3 -0.820 25.1-176.8 -92.0 126.7 -27.3 -20.4 -2.6 62 62 A S E -IJ 53 76B 26 -9,-2.5 -9,-2.0 -2,-0.5 2,-0.4 -0.893 11.4-175.6-124.9 152.7 -29.5 -19.9 -5.7 63 63 A A E -IJ 52 75B 1 12,-2.8 12,-2.8 -2,-0.3 2,-0.4 -0.986 4.4-173.6-146.2 137.4 -28.8 -18.4 -9.1 64 64 A V E -IJ 51 74B 38 -13,-1.9 -13,-3.0 -2,-0.4 2,-0.5 -0.998 4.1-166.7-123.0 147.7 -30.9 -17.7 -12.0 65 65 A V E +IJ 50 73B 0 8,-2.5 8,-2.6 -2,-0.4 2,-0.3 -0.992 19.2 167.1-124.0 129.8 -29.8 -16.4 -15.4 66 66 A S E -IJ 49 72B 31 -17,-3.4 -17,-3.0 -2,-0.5 6,-0.2 -0.917 23.2-149.6-135.2 171.0 -32.3 -15.2 -17.8 67 67 A Y > - 0 0 6 4,-1.3 3,-2.3 -2,-0.3 -19,-0.2 -0.868 41.5 -94.8-132.2 166.8 -32.6 -13.2 -21.1 68 68 A P T 3 S+ 0 0 115 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 0.745 118.9 64.7 -63.9 -19.8 -35.3 -11.0 -22.3 69 69 A N T 3 S- 0 0 115 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.565 118.6-111.4 -79.3 -4.7 -37.1 -13.7 -24.4 70 70 A G < + 0 0 55 -3,-2.3 2,-0.3 1,-0.3 -1,-0.1 0.430 67.5 147.0 101.8 -0.9 -37.7 -15.2 -21.0 71 71 A D - 0 0 70 -4,-0.1 -4,-1.3 -30,-0.0 2,-0.4 -0.552 26.7-177.7 -78.6 137.7 -35.5 -18.2 -21.3 72 72 A S E -J 66 0B 63 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.968 25.1-162.8-140.8 140.3 -34.0 -19.0 -17.9 73 73 A A E -J 65 0B 6 -8,-2.6 -8,-2.5 -2,-0.4 2,-0.4 -0.966 16.0-169.5-118.0 150.4 -31.7 -21.4 -16.1 74 74 A T E +J 64 0B 74 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.988 9.5 177.8-135.0 146.1 -31.6 -21.9 -12.4 75 75 A V E +J 63 0B 5 -12,-2.8 -12,-2.8 -2,-0.4 2,-0.3 -0.997 2.8 179.4-143.0 142.4 -29.3 -23.6 -10.1 76 76 A S E -J 62 0B 25 -2,-0.4 2,-0.4 -14,-0.3 -14,-0.3 -0.979 4.2-171.0-139.4 150.9 -29.5 -23.8 -6.3 77 77 A Y E -J 61 0B 75 -16,-2.4 -16,-3.0 -2,-0.3 2,-0.6 -0.977 23.7-127.4-148.2 132.4 -27.2 -25.6 -3.9 78 78 A D E +J 60 0B 91 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.692 49.5 142.4 -86.7 120.9 -27.6 -26.1 -0.2 79 79 A V - 0 0 19 -20,-1.1 2,-1.0 -2,-0.6 -2,-0.1 -0.986 51.8-132.2-159.2 139.1 -24.6 -25.0 1.6 80 80 A D > - 0 0 46 -2,-0.3 3,-2.6 1,-0.1 4,-0.1 -0.808 21.1-168.7 -98.2 94.1 -23.8 -23.2 4.8 81 81 A L G >> S+ 0 0 3 -2,-1.0 4,-3.4 1,-0.3 3,-2.1 0.666 79.5 75.6 -61.3 -18.3 -21.5 -20.5 3.5 82 82 A D G 34 S+ 0 0 49 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.830 99.3 47.7 -57.9 -32.8 -20.5 -19.7 7.2 83 83 A N G <4 S+ 0 0 137 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.318 120.1 36.4 -88.1 5.7 -18.6 -22.9 6.9 84 84 A V T <4 S+ 0 0 22 -3,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.677 108.1 57.1-121.7 -48.1 -17.0 -21.9 3.5 85 85 A L S < S- 0 0 8 -4,-3.4 -1,-0.2 1,-0.1 2,-0.1 -0.572 79.3-112.9 -87.9 151.0 -16.3 -18.2 3.5 86 86 A P - 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