==== 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 2OVU . COMPND 2 MOLECULE: CANAVALIA GLADIATA LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA GLADIATA; . AUTHOR F.B.M.B.MORENO,G.A.BEZERRA,T.M.DE OLIVEIRA,E.P.DE SOUZA,B.A. . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 67.5 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 . 29 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.8 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 0 130 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 165.1 28.6 22.7 42.2 2 2 A D - 0 0 43 218,-0.2 2,-0.5 230,-0.1 213,-0.0 -0.223 360.0-123.6 -60.4 160.9 25.5 25.0 42.2 3 3 A T - 0 0 41 2,-0.0 213,-0.9 230,-0.0 2,-0.4 -0.977 36.0-170.7-107.9 126.0 22.2 23.7 43.5 4 4 A I E +A 215 0A 2 -2,-0.5 26,-3.1 211,-0.2 2,-0.4 -0.978 24.3 178.0-127.8 130.2 19.6 24.1 40.7 5 5 A V E +AB 214 29A 3 209,-2.2 209,-3.0 -2,-0.4 2,-0.3 -0.996 30.1 165.4-118.2 129.7 15.8 23.8 40.6 6 6 A A E -AB 213 28A 1 22,-2.8 22,-3.3 -2,-0.4 2,-0.5 -0.989 42.4-141.8-146.3 153.0 14.5 24.6 37.2 7 7 A V E -AB 212 27A 2 205,-2.7 205,-2.3 -2,-0.3 2,-0.4 -0.989 34.6-157.4-109.1 118.7 11.7 24.4 34.8 8 8 A E E -AB 211 26A 0 18,-2.4 18,-2.4 -2,-0.5 2,-0.7 -0.831 22.7-159.5-102.2 138.5 13.1 23.7 31.4 9 9 A L E -AB 210 25A 0 201,-3.4 201,-1.9 -2,-0.4 2,-0.8 -0.926 28.5-167.0-106.5 94.5 11.5 24.4 28.1 10 10 A D E +AB 209 24A 1 14,-2.8 14,-2.5 -2,-0.7 199,-0.3 -0.791 18.6 179.0-100.5 109.6 13.6 21.9 26.3 11 11 A T + 0 0 4 197,-1.2 198,-0.2 -2,-0.8 -1,-0.1 0.622 65.1 58.3 -85.0 -13.4 13.4 22.3 22.6 12 12 A Y S S- 0 0 58 196,-0.9 2,-0.5 10,-0.1 -1,-0.1 -0.963 77.8-131.4-130.1 114.6 15.9 19.6 21.6 13 13 A P - 0 0 30 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.535 19.0-177.3 -68.5 115.0 15.6 15.9 22.6 14 14 A N > > + 0 0 16 -2,-0.5 5,-2.0 1,-0.1 3,-1.5 -0.827 9.4 173.9-104.8 82.9 18.9 14.6 24.0 15 15 A T G > 5 + 0 0 80 -2,-0.8 3,-1.5 1,-0.3 -1,-0.1 0.752 69.6 69.1 -70.6 -21.6 17.6 11.0 24.3 16 16 A D G 3 5S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.679 105.2 42.5 -68.3 -18.4 21.0 9.8 25.4 17 17 A I G < 5S- 0 0 5 -3,-1.5 -1,-0.3 15,-0.1 -2,-0.2 -0.059 131.8 -86.9-118.7 32.1 20.6 11.7 28.6 18 18 A G T < 5S+ 0 0 54 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.447 76.6 144.7 88.6 1.2 17.0 10.8 29.3 19 19 A D < - 0 0 10 -5,-2.0 -1,-0.3 1,-0.1 2,-0.1 -0.463 55.7-112.9 -62.0 147.1 15.1 13.4 27.4 20 20 A P - 0 0 21 0, 0.0 2,-1.9 0, 0.0 -6,-0.1 -0.360 40.2 -94.6 -70.3 164.1 11.9 12.1 25.9 21 21 A D S S+ 0 0 127 -8,-0.1 -2,-0.0 -6,-0.1 18,-0.0 -0.225 101.6 48.9 -85.0 53.7 12.1 12.0 22.1 22 22 A Y S S- 0 0 81 -2,-1.9 -8,-0.1 -12,-0.1 -10,-0.1 -0.946 101.6 -70.9-171.5 159.3 10.3 15.3 21.6 23 23 A P + 0 0 42 0, 0.0 17,-2.9 0, 0.0 2,-0.3 -0.328 65.9 171.1 -55.7 145.0 10.5 18.9 22.8 24 24 A H E -BC 10 39A 0 -14,-2.5 -14,-2.8 15,-0.3 2,-0.4 -0.985 38.9-121.3-155.5 157.7 9.2 18.9 26.3 25 25 A I E -BC 9 38A 0 13,-2.5 13,-2.1 -2,-0.3 2,-0.3 -0.860 40.1-178.4-101.1 147.3 8.8 20.9 29.4 26 26 A G E -BC 8 37A 0 -18,-2.4 -18,-2.4 -2,-0.4 2,-0.6 -0.983 31.2-131.3-146.4 155.2 10.5 19.4 32.5 27 27 A I E -BC 7 36A 0 9,-2.3 8,-2.6 -2,-0.3 9,-0.9 -0.961 27.6-162.5-109.8 121.6 11.0 19.9 36.1 28 28 A D E -B 6 0A 0 -22,-3.3 -22,-2.8 -2,-0.6 2,-0.6 -0.938 11.3-175.8-112.3 120.5 14.7 19.6 37.0 29 29 A I E S-B 5 0A 13 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.921 78.7 -37.3-118.1 97.3 15.7 19.1 40.6 30 30 A K S S+ 0 0 126 -26,-3.1 2,-0.3 -2,-0.6 -25,-0.1 0.630 129.1 69.8 64.8 18.6 19.5 19.1 40.8 31 31 A S S S- 0 0 8 -27,-0.2 -2,-0.2 -25,-0.1 4,-0.2 -0.957 76.8-133.6-160.7 143.7 19.8 17.4 37.5 32 32 A V S S+ 0 0 2 203,-0.4 2,-1.4 -2,-0.3 204,-0.1 0.626 91.3 92.1 -68.9 -15.0 19.2 18.2 33.9 33 33 A R S S- 0 0 100 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.704 89.3-128.2 -85.1 95.0 17.5 14.8 33.7 34 34 A S - 0 0 26 -2,-1.4 -6,-0.3 1,-0.2 3,-0.2 -0.052 8.9-144.7 -49.4 139.0 14.0 16.0 34.5 35 35 A K S S+ 0 0 96 -8,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.716 91.0 11.4 -72.5 -23.2 12.2 14.3 37.3 36 36 A K E S-C 27 0A 108 -9,-0.9 -9,-2.3 41,-0.1 2,-0.3 -0.970 72.1-177.8-154.8 139.1 9.1 14.8 35.2 37 37 A T E -C 26 0A 46 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.907 10.0-160.1-132.4 164.2 8.4 15.9 31.7 38 38 A A E -C 25 0A 22 -13,-2.1 -13,-2.5 -2,-0.3 37,-0.1 -0.988 36.6 -98.9-141.7 142.3 5.5 16.6 29.4 39 39 A K E -C 24 0A 146 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.346 43.3-161.9 -59.9 135.2 5.5 16.7 25.6 40 40 A W - 0 0 3 -17,-2.9 2,-1.0 -30,-0.2 33,-0.1 -0.982 18.8-148.8-131.0 122.2 5.7 20.2 24.4 41 41 A N - 0 0 85 -2,-0.5 2,-0.5 -19,-0.1 -30,-0.1 -0.778 18.5-158.6 -81.9 96.1 4.8 21.7 21.0 42 42 A M - 0 0 21 -2,-1.0 2,-0.9 -31,-0.1 25,-0.0 -0.676 11.0-143.3 -73.6 125.1 7.2 24.6 20.6 43 43 A Q > - 0 0 25 -2,-0.5 3,-2.4 3,-0.1 156,-0.3 -0.833 19.5-124.4 -98.7 105.9 5.7 26.9 18.0 44 44 A N T 3 S+ 0 0 87 -2,-0.9 156,-0.3 1,-0.3 3,-0.1 -0.202 88.9 1.7 -53.5 122.5 8.5 28.3 15.9 45 45 A G T 3 S+ 0 0 26 154,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.380 103.1 118.6 84.5 -3.9 8.4 32.1 15.9 46 46 A K < - 0 0 117 -3,-2.4 153,-0.8 153,-0.4 2,-0.7 -0.610 69.6-111.0 -94.5 156.1 5.4 32.4 18.3 47 47 A V E -H 198 0B 52 -2,-0.2 2,-0.2 151,-0.2 151,-0.2 -0.765 38.8-168.3 -86.2 117.9 5.4 34.1 21.7 48 48 A G E -H 197 0B 0 149,-2.7 149,-2.2 -2,-0.7 2,-0.4 -0.659 11.3-144.3-101.4 164.5 5.0 31.6 24.4 49 49 A T E -HI 196 66B 35 17,-2.7 17,-3.0 147,-0.2 2,-0.5 -0.996 9.0-163.6-128.9 131.0 4.2 32.1 28.1 50 50 A A E -HI 195 65B 1 145,-3.1 145,-2.3 -2,-0.4 2,-0.4 -0.965 2.8-168.1-113.8 133.1 5.6 29.9 30.9 51 51 A H E -HI 194 64B 67 13,-3.1 13,-2.1 -2,-0.5 2,-0.4 -0.980 1.5-171.0-117.6 134.9 4.1 29.9 34.3 52 52 A I E -HI 193 63B 1 141,-2.9 141,-2.5 -2,-0.4 2,-0.4 -0.984 7.9-178.5-125.5 132.6 5.8 28.3 37.3 53 53 A I E +HI 192 62B 86 9,-2.8 9,-2.9 -2,-0.4 2,-0.3 -0.997 8.3 158.9-136.2 135.8 4.1 27.9 40.6 54 54 A Y E +H 191 0B 6 137,-2.6 137,-2.9 -2,-0.4 2,-0.3 -0.973 8.5 177.4-149.8 145.7 5.2 26.5 43.9 55 55 A N E >> -H 190 0B 53 5,-0.4 4,-1.7 -2,-0.3 5,-0.6 -0.991 35.2-127.0-144.0 154.9 4.2 26.6 47.5 56 56 A S T 45S+ 0 0 12 133,-2.2 134,-0.1 -2,-0.3 26,-0.1 0.413 104.7 59.8 -76.6 -0.4 5.5 24.9 50.6 57 57 A V T 45S+ 0 0 97 132,-0.2 -1,-0.2 3,-0.1 133,-0.0 0.902 116.4 26.4 -88.6 -64.4 2.0 23.7 51.6 58 58 A G T 45S- 0 0 50 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.730 92.3-150.6 -68.9 -23.5 1.1 21.6 48.6 59 59 A K T <5 + 0 0 70 -4,-1.7 20,-1.8 1,-0.2 2,-0.4 0.918 49.6 133.0 49.6 50.3 4.8 21.0 47.9 60 60 A R E < - J 0 78B 114 -5,-0.6 2,-0.6 18,-0.3 -5,-0.4 -0.970 48.0-152.6-135.5 115.5 4.1 20.7 44.2 61 61 A L E - J 0 77B 2 16,-2.8 16,-2.4 -2,-0.4 2,-0.3 -0.817 26.0-178.1 -89.2 119.4 6.2 22.5 41.7 62 62 A S E -IJ 53 76B 27 -9,-2.9 -9,-2.8 -2,-0.6 2,-0.3 -0.898 12.6-179.9-122.2 149.4 4.0 23.1 38.6 63 63 A A E -IJ 52 75B 1 12,-2.5 12,-2.4 -2,-0.3 2,-0.4 -0.995 5.8-174.2-145.3 148.3 4.6 24.6 35.3 64 64 A V E -IJ 51 74B 46 -13,-2.1 -13,-3.1 -2,-0.3 2,-0.4 -0.992 6.7-162.9-136.3 140.9 2.6 25.3 32.2 65 65 A V E +IJ 50 73B 0 8,-2.6 8,-2.1 -2,-0.4 2,-0.3 -0.994 19.2 177.7-123.8 128.9 3.8 26.7 28.9 66 66 A S E -IJ 49 72B 34 -17,-3.0 -17,-2.7 -2,-0.4 6,-0.2 -0.867 20.9-152.5-129.6 159.7 1.2 28.1 26.5 67 67 A Y > - 0 0 7 4,-2.2 3,-2.3 -2,-0.3 -19,-0.1 -0.864 39.6-102.5-123.1 161.5 0.9 29.7 23.2 68 68 A P T 3 S+ 0 0 112 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 0.740 117.0 65.7 -58.0 -25.9 -1.9 32.1 22.0 69 69 A N T 3 S- 0 0 111 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.467 120.2-106.5 -76.1 2.3 -3.6 29.4 20.0 70 70 A G S < S+ 0 0 58 -3,-2.3 -1,-0.1 1,-0.3 2,-0.0 0.238 75.0 138.1 94.5 -11.7 -4.3 27.6 23.3 71 71 A D + 0 0 62 -5,-0.1 -4,-2.2 -30,-0.0 -1,-0.3 -0.403 26.4 159.2 -66.1 143.8 -1.8 24.8 22.9 72 72 A S E -J 66 0B 62 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.983 31.1-149.4-158.0 162.7 -0.0 24.2 26.2 73 73 A A E -J 65 0B 8 -8,-2.1 -8,-2.6 -2,-0.3 2,-0.4 -0.993 16.5-167.3-137.1 147.0 2.0 21.6 28.1 74 74 A T E -J 64 0B 81 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.980 9.0-178.4-138.7 147.2 2.1 21.2 31.8 75 75 A V E -J 63 0B 5 -12,-2.4 -12,-2.5 -2,-0.4 2,-0.3 -0.996 3.3-173.9-142.2 141.8 4.2 19.3 34.2 76 76 A S E -J 62 0B 29 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.982 0.9-172.2-133.4 148.1 4.0 19.0 38.0 77 77 A Y E -J 61 0B 72 -16,-2.4 -16,-2.8 -2,-0.3 2,-0.6 -0.977 24.0-128.9-144.9 128.2 6.3 17.4 40.5 78 78 A D E +J 60 0B 91 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.3 -0.658 49.3 143.5 -78.3 120.5 5.8 16.8 44.2 79 79 A V - 0 0 18 -20,-1.8 2,-0.9 -2,-0.6 -2,-0.1 -0.970 50.5-134.1-160.1 135.2 8.8 18.1 45.9 80 80 A D > - 0 0 44 -2,-0.3 3,-1.8 1,-0.1 4,-0.1 -0.851 19.3-167.1 -92.3 102.7 9.6 19.8 49.2 81 81 A L G >> S+ 0 0 5 -2,-0.9 4,-2.7 1,-0.3 3,-1.8 0.703 79.2 76.7 -70.1 -17.2 11.9 22.5 48.0 82 82 A D G 34 S+ 0 0 41 1,-0.3 -1,-0.3 2,-0.2 100,-0.1 0.817 99.4 45.7 -50.3 -35.6 12.9 23.2 51.7 83 83 A N G <4 S+ 0 0 132 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.333 119.7 39.1 -96.4 7.7 15.0 20.1 51.3 84 84 A V T <4 S+ 0 0 25 -3,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.716 107.1 52.1-119.6 -51.5 16.4 21.0 48.0 85 85 A L S < S- 0 0 6 -4,-2.7 -1,-0.2 1,-0.1 4,-0.1 -0.574 81.3-109.8 -94.1 155.0 17.2 24.7 47.9 86 86 A P - 0 0 46 0, 0.0 95,-0.2 0, 0.0 -1,-0.1 -0.354 38.1-107.0 -69.8 162.9 19.2 26.9 50.2 87 87 A E S S+ 0 0 72 94,-0.1 94,-1.6 93,-0.1 95,-1.2 0.859 109.2 46.6 -61.1 -38.8 17.1 29.4 52.2 88 88 A W E S+D 180 0A 121 92,-0.2 129,-0.5 93,-0.2 2,-0.3 -0.918 75.5 159.0-109.6 134.9 18.5 32.2 50.1 89 89 A V E -DE 179 216A 0 90,-2.6 90,-3.4 -2,-0.5 2,-0.4 -0.860 35.8-125.5-138.1 169.5 18.6 31.9 46.4 90 90 A R E - 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