==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 15-FEB-07 2OW4 . COMPND 2 MOLECULE: CANAVALIA MARITIMA LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA MARITIMA; . AUTHOR F.B.M.B.MORENO,G.A.BEZERRA,T.M.DE OLIVEIRA,E.M.DE SOUZA,B.A. . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 66.2 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 . 100 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 . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.2 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 . 2 0.8 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 2 2 1 0 0 1 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 0 133 0, 0.0 218,-0.1 0, 0.0 232,-0.0 0.000 360.0 360.0 360.0-158.8 35.4 87.5 22.7 2 2 A D - 0 0 44 218,-0.1 2,-0.5 1,-0.1 213,-0.0 -0.050 360.0-129.3 -80.3 167.1 38.8 87.0 25.0 3 3 A T - 0 0 41 2,-0.0 213,-0.9 230,-0.0 2,-0.4 -0.989 32.6-169.9-112.6 123.6 42.1 88.2 23.7 4 4 A I E +A 215 0A 2 -2,-0.5 26,-3.3 211,-0.2 2,-0.4 -0.954 24.7 177.2-126.4 129.6 44.7 85.5 24.0 5 5 A V E +AB 214 29A 2 209,-2.3 209,-3.1 -2,-0.4 2,-0.3 -0.996 30.0 164.9-119.4 131.0 48.4 85.3 23.7 6 6 A A E -AB 213 28A 1 22,-2.7 22,-3.5 -2,-0.4 2,-0.6 -0.993 42.5-141.4-147.7 153.5 49.7 81.9 24.5 7 7 A V E -AB 212 27A 2 205,-2.9 205,-2.3 -2,-0.3 2,-0.4 -0.986 34.5-157.3-109.6 117.8 52.6 79.5 24.2 8 8 A E E -AB 211 26A 0 18,-2.5 18,-2.4 -2,-0.6 2,-0.8 -0.830 22.1-159.1-102.0 138.4 51.1 76.0 23.5 9 9 A L E -AB 210 25A 0 201,-3.5 201,-1.8 -2,-0.4 2,-0.8 -0.928 28.1-165.5-104.6 95.1 52.7 72.7 24.2 10 10 A D E +AB 209 24A 1 14,-2.8 14,-2.3 -2,-0.8 199,-0.3 -0.780 19.6 176.5 -98.8 110.9 50.5 70.9 21.8 11 11 A T + 0 0 5 197,-1.2 198,-0.2 -2,-0.8 -1,-0.1 0.654 66.1 57.1 -86.3 -16.1 50.6 67.1 22.2 12 12 A Y S S- 0 0 62 196,-0.9 2,-0.4 10,-0.1 -1,-0.2 -0.953 79.2-132.3-127.7 110.6 48.1 66.2 19.5 13 13 A P - 0 0 29 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.513 19.2-176.1 -64.7 117.5 48.4 67.2 15.9 14 14 A N > > + 0 0 17 -2,-0.4 3,-1.9 1,-0.1 5,-1.8 -0.787 9.3 173.2-107.1 78.5 45.1 68.6 14.6 15 15 A T G > 5 + 0 0 91 -2,-0.7 3,-1.6 1,-0.3 -1,-0.1 0.762 68.8 70.0 -66.8 -22.5 46.3 69.0 11.0 16 16 A D G 3 5S+ 0 0 113 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.694 105.1 42.5 -67.4 -17.2 42.8 70.0 9.9 17 17 A I G < 5S- 0 0 5 -3,-1.9 -1,-0.3 15,-0.1 -2,-0.2 -0.012 131.7 -86.8-118.5 30.6 43.3 73.3 11.8 18 18 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.419 77.2 144.4 92.5 -0.5 46.8 74.0 10.8 19 19 A D < - 0 0 10 -5,-1.8 -1,-0.3 1,-0.1 14,-0.1 -0.425 57.3-108.8 -61.4 144.8 48.8 72.1 13.4 20 20 A P - 0 0 22 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.299 36.8-100.4 -65.1 166.3 51.9 70.5 12.0 21 21 A S S S+ 0 0 96 -8,-0.1 -6,-0.1 -6,-0.1 -2,-0.1 0.437 102.9 54.0 -75.4 5.4 51.7 66.8 11.7 22 22 A Y S S- 0 0 78 -10,-0.1 -8,-0.1 1,-0.1 -10,-0.1 -0.868 101.8 -79.8-134.3 158.6 53.7 66.2 14.9 23 23 A P + 0 0 43 0, 0.0 17,-2.6 0, 0.0 2,-0.3 -0.326 64.3 167.5 -55.8 149.0 53.5 67.4 18.5 24 24 A H E -BC 10 39A 0 -14,-2.3 -14,-2.8 15,-0.3 2,-0.3 -0.981 39.6-118.0-160.2 157.8 54.8 70.9 18.7 25 25 A I E -BC 9 38A 0 13,-2.5 13,-2.2 -2,-0.3 2,-0.3 -0.829 40.1-179.0-101.1 155.5 55.2 74.0 20.7 26 26 A G E -BC 8 37A 0 -18,-2.4 -18,-2.5 -2,-0.3 2,-0.5 -0.994 32.2-127.6-152.1 156.6 53.7 77.1 19.3 27 27 A I E -BC 7 36A 0 9,-2.5 8,-2.8 -2,-0.3 9,-1.0 -0.942 28.6-162.7-107.2 123.2 53.2 80.8 19.8 28 28 A D E -B 6 0A 0 -22,-3.5 -22,-2.7 -2,-0.5 2,-0.6 -0.940 10.2-174.8-112.7 120.0 49.5 81.7 19.5 29 29 A I E S-B 5 0A 14 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.929 78.2 -37.9-117.4 100.5 48.5 85.3 19.0 30 30 A K S S+ 0 0 125 -26,-3.3 2,-0.3 -2,-0.6 -25,-0.1 0.634 129.3 69.8 61.0 19.7 44.7 85.6 19.1 31 31 A S S S- 0 0 9 -27,-0.2 4,-0.2 206,-0.1 -2,-0.2 -0.962 77.3-132.8-160.5 144.7 44.3 82.3 17.3 32 32 A V S S+ 0 0 1 203,-0.4 2,-1.3 -2,-0.3 204,-0.1 0.637 91.2 91.7 -68.9 -15.0 44.9 78.6 18.1 33 33 A R S S- 0 0 97 -4,-0.1 -4,-0.3 -14,-0.1 -1,-0.1 -0.704 89.8-127.0 -87.3 95.9 46.6 78.5 14.7 34 34 A S - 0 0 27 -2,-1.3 -6,-0.3 1,-0.1 3,-0.1 -0.070 10.0-145.9 -52.3 140.8 50.1 79.2 15.9 35 35 A K S S+ 0 0 95 -8,-2.8 2,-0.3 1,-0.3 -1,-0.1 0.739 91.2 12.1 -73.2 -26.6 52.0 82.0 14.3 36 36 A K E S-C 27 0A 106 -9,-1.0 -9,-2.5 41,-0.1 2,-0.3 -0.981 72.5-178.6-151.2 139.9 55.1 79.9 14.8 37 37 A T E -C 26 0A 46 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.925 10.0-160.9-134.3 162.6 55.7 76.3 15.8 38 38 A A E -C 25 0A 20 -13,-2.2 -13,-2.5 -2,-0.3 37,-0.1 -0.992 36.7 -98.6-141.2 141.8 58.6 74.0 16.4 39 39 A K E -C 24 0A 147 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.358 44.4-163.0 -58.2 133.9 58.6 70.2 16.5 40 40 A W - 0 0 5 -17,-2.6 2,-0.9 -30,-0.2 33,-0.1 -0.983 18.8-149.5-129.3 124.8 58.3 69.0 20.0 41 41 A N - 0 0 86 -2,-0.4 2,-0.4 -19,-0.1 -30,-0.1 -0.801 17.1-157.1 -86.9 98.4 59.1 65.6 21.5 42 42 A M - 0 0 25 -2,-0.9 2,-1.0 -32,-0.1 25,-0.0 -0.643 11.7-142.4 -74.0 125.1 56.8 65.2 24.5 43 43 A Q > - 0 0 25 -2,-0.4 3,-2.6 3,-0.1 156,-0.3 -0.816 20.8-125.3 -98.2 103.1 58.4 62.6 26.8 44 44 A N T 3 S+ 0 0 80 -2,-1.0 156,-0.2 1,-0.3 3,-0.1 -0.197 88.6 1.3 -52.1 122.1 55.6 60.6 28.1 45 45 A G T 3 S+ 0 0 26 154,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.398 103.7 118.0 82.5 -3.7 55.7 60.6 31.9 46 46 A K S < S- 0 0 112 -3,-2.6 153,-0.7 153,-0.4 2,-0.6 -0.635 70.8-110.4 -93.1 154.9 58.7 62.8 32.2 47 47 A V E -H 198 0B 51 -2,-0.2 151,-0.2 151,-0.2 2,-0.2 -0.764 38.8-166.7 -86.6 121.3 58.8 66.2 33.9 48 48 A G E -H 197 0B 0 149,-2.6 149,-2.1 -2,-0.6 2,-0.4 -0.628 10.4-145.0-103.2 163.0 59.2 69.0 31.3 49 49 A T E -HI 196 66B 35 17,-2.7 17,-3.0 147,-0.2 2,-0.4 -0.998 9.7-165.0-131.0 130.1 60.0 72.7 31.8 50 50 A A E -HI 195 65B 1 145,-3.2 145,-2.4 -2,-0.4 2,-0.4 -0.942 2.4-168.2-114.9 134.9 58.7 75.4 29.7 51 51 A H E -HI 194 64B 75 13,-3.2 13,-2.2 -2,-0.4 2,-0.4 -0.975 1.5-171.5-120.5 136.2 60.2 78.9 29.7 52 52 A I E +HI 193 63B 2 141,-3.1 141,-2.6 -2,-0.4 2,-0.4 -0.993 10.0 176.6-126.3 135.7 58.4 81.9 28.1 53 53 A I E +HI 192 62B 94 9,-2.9 9,-3.0 -2,-0.4 2,-0.3 -0.999 7.3 158.8-144.9 141.2 60.2 85.2 27.7 54 54 A Y E -H 191 0B 9 137,-2.4 137,-2.8 -2,-0.4 2,-0.3 -0.965 12.2-172.6-155.3 144.1 59.4 88.5 26.2 55 55 A N E >> -H 190 0B 63 5,-0.5 4,-1.9 -2,-0.3 5,-0.7 -0.990 30.0-128.7-137.6 152.5 60.5 92.1 26.5 56 56 A S T 45S+ 0 0 11 133,-3.2 134,-0.1 -2,-0.3 26,-0.1 0.474 105.1 56.6 -73.9 -6.1 58.9 95.2 24.8 57 57 A V T 45S+ 0 0 98 132,-0.3 -1,-0.2 3,-0.1 133,-0.1 0.910 115.5 32.2 -86.9 -58.5 62.3 96.3 23.4 58 58 A G T 45S- 0 0 50 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.760 92.7-152.9 -67.4 -27.1 63.2 93.2 21.5 59 59 A K T <5 + 0 0 69 -4,-1.9 20,-1.5 1,-0.2 2,-0.4 0.904 48.9 130.5 52.2 47.7 59.5 92.6 20.8 60 60 A R E < - J 0 78B 111 -5,-0.7 2,-0.6 18,-0.3 -5,-0.5 -0.982 48.8-152.1-135.3 118.4 60.2 88.9 20.4 61 61 A L E - J 0 77B 2 16,-2.9 16,-2.6 -2,-0.4 2,-0.3 -0.829 25.3-177.8 -91.9 124.1 58.1 86.3 22.3 62 62 A S E -IJ 53 76B 23 -9,-3.0 -9,-2.9 -2,-0.6 2,-0.3 -0.916 13.3-179.1-127.7 150.5 60.2 83.2 22.9 63 63 A A E -IJ 52 75B 2 12,-2.6 12,-2.4 -2,-0.3 2,-0.4 -0.995 4.9-174.2-145.1 146.4 59.6 79.9 24.5 64 64 A V E -IJ 51 74B 52 -13,-2.2 -13,-3.2 -2,-0.3 2,-0.4 -0.992 6.0-164.3-135.7 141.2 61.7 76.8 25.1 65 65 A V E +IJ 50 73B 0 8,-2.8 8,-2.0 -2,-0.4 2,-0.3 -0.997 18.4 177.0-127.0 128.9 60.5 73.5 26.5 66 66 A S E -IJ 49 72B 35 -17,-3.0 -17,-2.7 -2,-0.4 6,-0.2 -0.880 21.2-151.2-131.6 158.5 63.0 71.1 27.8 67 67 A Y > - 0 0 7 4,-2.4 3,-2.5 -2,-0.3 -19,-0.1 -0.857 39.4-102.2-122.5 160.7 63.3 67.7 29.5 68 68 A P T 3 S+ 0 0 112 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 0.779 117.4 64.9 -54.5 -30.8 66.0 66.5 31.8 69 69 A N T 3 S- 0 0 112 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.467 120.5-106.2 -74.3 2.1 67.7 64.4 29.1 70 70 A G S < S+ 0 0 56 -3,-2.5 -1,-0.1 1,-0.4 2,-0.1 0.228 75.1 137.8 96.8 -14.1 68.5 67.7 27.3 71 71 A D + 0 0 64 -5,-0.1 -4,-2.4 -30,-0.0 -1,-0.4 -0.406 26.5 157.4 -64.0 142.5 65.9 67.4 24.5 72 72 A S E -J 66 0B 60 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.978 31.7-149.2-157.7 164.9 64.1 70.7 23.9 73 73 A A E -J 65 0B 8 -8,-2.0 -8,-2.8 -2,-0.3 2,-0.3 -0.985 16.0-166.7-138.9 149.5 62.2 72.7 21.4 74 74 A T E -J 64 0B 82 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.977 8.4-177.5-140.8 147.8 62.1 76.4 21.0 75 75 A V E -J 63 0B 5 -12,-2.4 -12,-2.6 -2,-0.3 2,-0.4 -0.995 2.6-175.6-143.2 142.1 60.0 78.9 19.2 76 76 A S E -J 62 0B 32 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.993 1.7-172.5-137.4 146.6 60.2 82.6 18.9 77 77 A Y E -J 61 0B 75 -16,-2.6 -16,-2.9 -2,-0.4 2,-0.6 -0.992 24.7-127.1-142.9 131.0 58.0 85.1 17.2 78 78 A D E +J 60 0B 89 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.3 -0.685 50.3 140.8 -78.6 121.1 58.4 88.7 16.6 79 79 A V - 0 0 18 -20,-1.5 2,-1.0 -2,-0.6 -2,-0.1 -0.969 51.5-132.5-160.4 136.7 55.3 90.6 17.9 80 80 A D > - 0 0 41 -2,-0.3 3,-1.9 1,-0.2 4,-0.1 -0.854 19.9-165.8 -93.9 103.1 54.8 93.8 19.7 81 81 A L G >> S+ 0 0 4 -2,-1.0 4,-2.8 1,-0.3 3,-1.7 0.729 80.2 74.6 -67.6 -18.9 52.5 92.6 22.5 82 82 A D G 34 S+ 0 0 38 1,-0.3 -1,-0.3 2,-0.2 100,-0.1 0.765 100.5 45.8 -56.9 -28.7 51.6 96.2 23.3 83 83 A N G <4 S+ 0 0 131 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.346 119.9 38.4 -99.3 5.2 49.5 96.1 20.1 84 84 A V T <4 S+ 0 0 26 -3,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.731 108.4 53.6-115.8 -53.2 47.9 92.7 20.9 85 85 A L S < S- 0 0 5 -4,-2.8 -1,-0.2 1,-0.1 4,-0.1 -0.567 83.3-109.6 -90.9 150.7 47.2 92.6 24.6 86 86 A P - 0 0 45 0, 0.0 95,-0.2 0, 0.0 -1,-0.1 -0.319 38.4-105.4 -65.2 162.2 45.2 95.0 26.7 87 87 A E S S+ 0 0 70 94,-0.1 94,-1.4 93,-0.1 95,-1.3 0.856 110.3 46.2 -58.6 -39.3 47.3 97.0 29.2 88 88 A W E S+D 180 0A 125 92,-0.2 129,-0.6 93,-0.2 2,-0.3 -0.916 76.2 162.0-111.4 134.6 46.0 94.9 32.0 89 89 A V E -DE 179 216A 0 90,-2.7 90,-3.6 -2,-0.5 2,-0.4 -0.860 34.3-127.3-136.5 168.3 46.0 91.1 31.7 90 90 A R E - 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