==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 24-AUG-01 1JUI . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR D.JAIN,K.J.KAUR,D.M.SALUNKE . 988 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 678 68.6 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 . 420 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 . 4 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 . 125 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 4 12 0 4 8 10 8 6 6 0 2 0 0 2 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 4 0 0 0 0 0 0 0 2 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 2,-0.3 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0-136.5 -13.9 23.5 30.2 2 2 A D - 0 0 48 230,-0.1 2,-0.7 218,-0.1 213,-0.0 -0.802 360.0-134.0-109.6 150.2 -13.0 23.7 33.9 3 3 A T - 0 0 41 -2,-0.3 213,-0.6 2,-0.0 2,-0.4 -0.914 36.0-174.8-100.2 118.0 -14.9 22.3 36.9 4 4 A I E +A 215 0A 4 -2,-0.7 26,-2.0 211,-0.2 2,-0.4 -0.890 23.9 179.4-121.3 149.0 -15.0 25.0 39.5 5 5 A V E +AB 214 29A 3 209,-1.4 209,-2.5 -2,-0.4 2,-0.3 -0.976 25.4 169.8-140.2 125.8 -16.2 25.3 43.0 6 6 A A E -AB 213 28A 1 22,-2.5 22,-3.3 -2,-0.4 2,-0.6 -0.991 39.6-147.4-148.5 153.3 -15.7 28.7 44.7 7 7 A V E -AB 212 27A 4 205,-2.5 205,-2.7 -2,-0.3 2,-0.3 -0.977 36.6-160.2-113.2 113.4 -16.5 30.9 47.6 8 8 A E E -AB 211 26A 0 18,-2.2 18,-1.9 -2,-0.6 2,-0.7 -0.733 24.7-153.0-101.9 148.3 -16.7 34.5 46.2 9 9 A L E -AB 210 25A 1 201,-3.6 201,-1.6 -2,-0.3 2,-0.8 -0.861 27.9-165.2-114.0 85.8 -16.4 37.8 47.9 10 10 A D E +AB 209 24A 2 14,-1.8 14,-2.3 -2,-0.7 199,-0.2 -0.682 16.7 177.7 -81.9 109.1 -18.5 39.8 45.4 11 11 A T + 0 0 0 197,-0.8 198,-0.2 -2,-0.8 -1,-0.2 0.746 64.3 56.3 -84.0 -24.2 -18.0 43.5 45.9 12 12 A Y S S- 0 0 63 196,-0.8 2,-0.8 10,-0.1 -1,-0.1 -0.941 79.8-128.5-117.2 130.3 -20.2 44.7 43.0 13 13 A P - 0 0 32 0, 0.0 2,-0.9 0, 0.0 3,-0.2 -0.620 22.1-178.3 -78.5 106.7 -23.9 43.9 42.5 14 14 A N > > + 0 0 15 -2,-0.8 3,-2.5 1,-0.2 5,-1.3 -0.617 7.8 170.7-103.4 71.2 -24.6 42.5 39.0 15 15 A T G > 5 + 0 0 91 -2,-0.9 3,-1.3 1,-0.3 -1,-0.2 0.743 68.0 76.9 -54.3 -22.7 -28.3 42.1 39.3 16 16 A D G 3 5S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.0 0.551 106.7 31.0 -67.1 -5.2 -28.4 41.4 35.6 17 17 A I G < 5S- 0 0 5 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.115 132.3 -74.0-139.8 23.0 -27.0 37.9 36.3 18 18 A G T < 5S+ 0 0 55 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.135 78.6 143.0 110.0 -22.4 -28.4 36.9 39.7 19 19 A D < - 0 0 7 -5,-1.3 -1,-0.3 1,-0.1 -2,-0.1 -0.267 55.0-118.8 -55.7 128.8 -26.3 39.0 42.2 20 20 A P - 0 0 27 0, 0.0 2,-2.5 0, 0.0 -6,-0.1 -0.374 40.5 -96.5 -63.9 156.2 -28.4 40.2 45.1 21 21 A S S S+ 0 0 92 -8,-0.1 -2,-0.0 -7,-0.1 -9,-0.0 -0.299 99.7 49.0 -77.4 63.3 -28.5 44.0 45.1 22 22 A Y S S- 0 0 75 -2,-2.5 -8,-0.1 -12,-0.1 -10,-0.1 -0.899 101.1 -67.3 176.9 156.2 -25.6 44.5 47.6 23 23 A P + 0 0 26 0, 0.0 17,-2.2 0, 0.0 2,-0.3 -0.273 66.8 163.1 -54.6 141.6 -22.1 43.3 48.3 24 24 A H E -BC 10 39A 0 -14,-2.3 -14,-1.8 15,-0.2 2,-0.4 -0.965 40.7-124.1-156.8 170.8 -22.1 39.7 49.3 25 25 A I E +BC 9 38A 0 13,-1.9 13,-1.4 -2,-0.3 2,-0.3 -0.941 38.4 174.1-118.4 143.1 -20.3 36.4 49.8 26 26 A G E -BC 8 37A 0 -18,-1.9 -18,-2.2 -2,-0.4 2,-0.6 -0.955 33.8-121.2-149.0 168.7 -21.5 33.3 47.9 27 27 A I E -BC 7 36A 0 9,-2.2 8,-2.6 -2,-0.3 9,-0.7 -0.945 28.6-165.4-116.2 114.2 -20.9 29.7 47.1 28 28 A D E -B 6 0A 0 -22,-3.3 -22,-2.5 -2,-0.6 2,-0.6 -0.851 9.4-169.0-104.7 133.1 -20.6 28.9 43.4 29 29 A I E S-B 5 0A 20 -2,-0.4 -24,-0.2 2,-0.3 4,-0.1 -0.868 78.5 -39.2-121.7 96.0 -20.8 25.4 41.9 30 30 A K S S+ 0 0 122 -26,-2.0 2,-0.3 -2,-0.6 -25,-0.1 0.693 127.8 73.5 62.1 20.7 -19.7 25.4 38.3 31 31 A S S S- 0 0 15 -27,-0.1 -2,-0.3 206,-0.1 4,-0.1 -0.948 77.5-133.0-162.9 141.1 -21.5 28.7 37.8 32 32 A V S S+ 0 0 1 203,-0.4 2,-1.5 -2,-0.3 204,-0.1 0.628 91.0 93.0 -69.2 -9.8 -21.1 32.4 38.6 33 33 A R S S- 0 0 111 -4,-0.1 -4,-0.2 -14,-0.0 -1,-0.2 -0.649 87.6-129.1 -86.7 86.5 -24.8 32.2 39.6 34 34 A S - 0 0 28 -2,-1.5 -6,-0.2 1,-0.2 3,-0.2 0.077 8.4-145.7 -38.4 133.1 -24.3 31.5 43.4 35 35 A K S S+ 0 0 109 -8,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.739 89.3 3.2 -72.8 -22.6 -26.2 28.6 44.7 36 36 A K E S-C 27 0A 115 -9,-0.7 -9,-2.2 41,-0.1 -1,-0.3 -0.938 71.2-175.3-163.7 139.3 -26.5 30.6 47.9 37 37 A T E -C 26 0A 50 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.761 8.2-157.6-130.8 176.8 -25.4 34.1 49.1 38 38 A A E -C 25 0A 20 -13,-1.4 -13,-1.9 -2,-0.2 37,-0.1 -0.964 34.5 -96.2-156.8 139.2 -25.4 36.3 52.2 39 39 A K E -C 24 0A 107 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.259 39.7-162.4 -57.0 143.8 -25.2 40.0 52.7 40 40 A W - 0 0 7 -17,-2.2 2,-2.1 -30,-0.1 26,-0.1 -0.958 18.5-147.6-137.0 118.3 -21.7 41.3 53.4 41 41 A N - 0 0 106 -2,-0.4 -17,-0.1 30,-0.1 30,-0.1 -0.482 28.5-163.8 -82.1 68.5 -20.8 44.7 54.9 42 42 A M - 0 0 15 -2,-2.1 2,-0.5 1,-0.1 -2,-0.0 -0.186 5.4-147.5 -50.6 144.5 -17.6 45.1 52.9 43 43 A Q > - 0 0 20 3,-0.2 3,-2.0 916,-0.1 156,-0.3 -0.881 10.0-133.8-127.2 102.8 -15.3 47.7 54.4 44 44 A N T 3 S+ 0 0 3 -2,-0.5 156,-0.2 913,-0.3 910,-0.2 -0.247 89.4 8.0 -52.9 125.2 -13.1 49.7 52.0 45 45 A G T 3 S+ 0 0 16 154,-2.5 2,-0.3 1,-0.2 -1,-0.3 0.229 99.9 115.2 88.9 -14.8 -9.6 49.9 53.2 46 46 A K < - 0 0 30 -3,-2.0 153,-0.7 153,-0.3 2,-0.4 -0.691 68.5-118.9 -93.4 142.0 -9.9 47.6 56.1 47 47 A V E -H 198 0B 59 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.647 40.4-173.6 -77.5 128.5 -8.0 44.2 56.4 48 48 A G E -H 197 0B 0 149,-2.8 149,-1.2 -2,-0.4 2,-0.4 -0.634 16.7-132.2-117.6 177.2 -10.4 41.4 56.5 49 49 A T E -HI 196 66B 52 17,-2.3 17,-2.3 147,-0.2 2,-0.4 -0.995 9.4-162.1-135.6 139.5 -10.4 37.6 57.0 50 50 A A E -HI 195 65B 0 145,-2.6 145,-1.9 -2,-0.4 2,-0.4 -0.969 4.4-171.4-122.1 137.9 -12.0 34.7 55.2 51 51 A H E -HI 194 64B 67 13,-2.7 13,-2.2 -2,-0.4 2,-0.5 -0.966 2.8-175.4-132.1 111.7 -12.5 31.2 56.6 52 52 A I E +HI 193 63B 2 141,-2.8 141,-2.2 -2,-0.4 2,-0.3 -0.934 8.9 177.2-111.2 131.3 -13.7 28.3 54.4 53 53 A I E +HI 192 62B 66 9,-2.6 9,-2.7 -2,-0.5 2,-0.3 -0.973 8.0 168.6-135.2 151.2 -14.4 24.9 55.8 54 54 A Y E -H 191 0B 18 137,-1.8 137,-2.0 -2,-0.3 2,-0.3 -0.976 6.6-175.2-158.1 140.6 -15.7 21.5 54.6 55 55 A N E >> -H 190 0B 46 5,-0.5 4,-2.1 -2,-0.3 5,-0.7 -0.999 29.4-132.9-141.9 142.7 -15.9 17.9 55.9 56 56 A S T 45S+ 0 0 18 133,-3.9 134,-0.1 -2,-0.3 -1,-0.1 0.634 101.2 66.4 -67.3 -14.4 -17.2 14.7 54.2 57 57 A V T 45S+ 0 0 98 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.975 117.7 20.8 -71.3 -53.3 -19.2 13.8 57.3 58 58 A D T 45S- 0 0 101 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.661 91.0-145.3 -86.6 -20.4 -21.7 16.7 57.0 59 59 A K T <5 + 0 0 73 -4,-2.1 20,-2.1 1,-0.2 2,-0.4 0.912 53.1 136.6 53.0 44.8 -21.0 17.3 53.3 60 60 A R E < - J 0 78B 101 -5,-0.7 2,-0.5 18,-0.2 -5,-0.5 -0.978 46.2-151.6-128.4 121.8 -21.6 21.0 53.9 61 61 A L E + J 0 77B 3 16,-2.5 16,-1.4 -2,-0.4 2,-0.3 -0.800 24.2 179.4 -92.8 123.7 -19.4 23.8 52.6 62 62 A S E -IJ 53 76B 18 -9,-2.7 -9,-2.6 -2,-0.5 2,-0.4 -0.931 12.9-167.2-128.3 152.7 -19.3 26.9 54.8 63 63 A A E -IJ 52 75B 1 12,-2.5 12,-1.7 -2,-0.3 2,-0.4 -0.995 4.8-167.6-139.9 143.8 -17.6 30.3 54.8 64 64 A V E -IJ 51 74B 48 -13,-2.2 -13,-2.7 -2,-0.4 2,-0.4 -0.997 6.7-177.9-129.1 131.9 -17.1 33.1 57.3 65 65 A V E +IJ 50 73B 2 8,-2.0 8,-2.1 -2,-0.4 2,-0.3 -0.995 17.6 156.4-132.0 126.3 -15.9 36.6 56.3 66 66 A S E -IJ 49 72B 37 -17,-2.3 -17,-2.3 -2,-0.4 6,-0.2 -0.965 33.9-138.2-149.5 166.3 -15.3 39.2 58.9 67 67 A Y > - 0 0 6 4,-0.6 3,-1.2 -2,-0.3 -19,-0.1 -0.905 49.2 -82.3-121.4 147.9 -13.5 42.4 60.0 68 68 A P T 3 S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.198 112.3 0.7 -50.6 138.6 -12.1 43.1 63.4 69 69 A N T 3 S+ 0 0 174 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.856 116.3 98.6 46.3 45.0 -14.7 44.3 66.0 70 70 A A S < S- 0 0 38 -3,-1.2 -1,-0.2 891,-0.1 2,-0.1 -0.874 80.3 -81.9-145.2 174.7 -17.4 44.0 63.4 71 71 A D - 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