==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 15-FEB-96 1CES . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.BOUCKAERT,R.LORIS,F.POORTMANS,L.WYNS . 446 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 70.2 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 . 209 46.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 54 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 5 1 2 5 4 5 1 4 0 0 1 0 1 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 1 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 0 136 0, 0.0 2,-0.1 0, 0.0 220,-0.1 0.000 360.0 360.0 360.0-152.7 27.0 23.5 25.5 2 2 A D - 0 0 48 218,-0.2 2,-0.6 206,-0.1 201,-0.0 -0.421 360.0-122.6 -86.0 164.4 24.1 21.1 25.6 3 3 A T - 0 0 37 -2,-0.1 201,-0.5 2,-0.0 2,-0.4 -0.972 35.9-171.0-108.3 117.7 20.6 22.0 24.3 4 4 A I E +A 203 0A 3 -2,-0.6 19,-3.4 199,-0.2 2,-0.4 -0.932 25.1 172.0-122.3 136.8 18.1 21.5 27.0 5 5 A V E +AB 202 22A 3 197,-1.7 197,-2.9 -2,-0.4 2,-0.3 -0.985 28.2 164.4-130.5 126.1 14.3 21.5 27.2 6 6 A A E -AB 201 21A 1 15,-2.1 15,-2.8 -2,-0.4 2,-0.6 -0.999 41.0-141.0-151.4 149.4 13.0 20.4 30.6 7 7 A V E -AB 200 20A 6 193,-2.6 193,-2.3 -2,-0.3 2,-0.4 -0.970 38.4-167.6-107.3 113.5 10.0 20.3 32.8 8 8 A E E -AB 199 19A 0 11,-2.8 11,-2.9 -2,-0.6 2,-0.6 -0.880 25.3-161.0-115.3 147.1 11.3 21.0 36.3 9 9 A L E +AB 198 18A 2 189,-2.5 189,-1.5 -2,-0.4 2,-0.4 -0.952 32.1 166.2-118.6 99.7 9.8 20.7 39.9 10 10 A D E -AB 197 17A 1 7,-2.3 7,-2.5 -2,-0.6 187,-0.2 -0.936 37.1-177.0-130.7 152.5 11.9 22.8 42.3 11 11 A T + 0 0 14 185,-2.0 186,-0.1 -2,-0.4 -1,-0.1 0.094 45.2 133.1-120.0 8.0 11.8 24.3 45.8 12 12 A Y 0 0 18 184,-0.4 -2,-0.1 183,-0.1 183,-0.0 -0.357 360.0 360.0 -64.4 153.4 15.0 26.2 45.7 13 13 A P 0 0 155 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.982 360.0 360.0 -73.6 360.0 15.2 29.8 47.0 14 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 15 22 A Y 0 0 221 0, 0.0 -5,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -28.6 7.9 29.4 45.9 16 23 A P + 0 0 38 0, 0.0 17,-2.6 0, 0.0 2,-0.3 -0.545 360.0 170.4 -63.3 140.0 8.0 25.7 45.2 17 24 A H E -BC 10 32A 33 -7,-2.5 -7,-2.3 15,-0.3 2,-0.4 -0.994 41.2-130.6-151.9 156.6 7.0 25.6 41.5 18 25 A I E +BC 9 31A 0 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.816 42.2 176.6-101.5 142.9 6.7 23.5 38.4 19 26 A G E -BC 8 30A 0 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.5 -0.999 33.8-127.6-153.4 160.2 8.3 25.1 35.4 20 27 A I E -BC 7 29A 0 9,-2.9 8,-3.2 -2,-0.3 9,-0.9 -0.922 23.8-167.2-109.9 120.4 9.2 24.9 31.7 21 28 A D E -B 6 0A 0 -15,-2.8 -15,-2.1 -2,-0.5 2,-0.7 -0.925 8.2-172.0-110.8 120.7 12.8 25.6 30.7 22 29 A I E S-B 5 0A 12 -2,-0.5 -17,-0.2 4,-0.3 4,-0.1 -0.921 79.6 -40.3-112.9 96.7 13.7 26.1 27.1 23 30 A K S S+ 0 0 120 -19,-3.4 2,-0.3 -2,-0.7 -18,-0.1 0.387 127.4 70.6 68.1 -2.3 17.5 26.3 27.0 24 31 A S S S- 0 0 20 -20,-0.1 -2,-0.2 2,-0.1 4,-0.2 -0.993 76.9-130.3-143.8 151.7 17.8 28.3 30.2 25 32 A V S S+ 0 0 1 200,-0.7 2,-1.6 198,-0.3 199,-0.1 0.588 90.2 95.1 -74.2 -10.6 17.2 27.8 34.0 26 33 A R S S- 0 0 171 199,-0.4 -4,-0.3 -4,-0.1 -2,-0.1 -0.716 90.2-127.6 -81.3 89.7 15.1 30.9 33.9 27 34 A S - 0 0 32 -2,-1.6 -6,-0.3 1,-0.2 3,-0.2 -0.116 10.1-147.0 -42.7 135.1 11.9 29.1 33.4 28 35 A K S S+ 0 0 102 -8,-3.2 2,-0.3 1,-0.3 -7,-0.2 0.704 86.8 6.9 -77.0 -24.1 9.9 30.4 30.5 29 36 A K E S-C 20 0A 92 -9,-0.9 -9,-2.9 41,-0.1 -1,-0.3 -0.942 73.7-175.7-158.8 138.0 6.7 29.6 32.4 30 37 A T E -C 19 0A 77 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.936 8.4-160.4-137.3 162.1 6.1 28.5 36.0 31 38 A A E -C 18 0A 22 -13,-2.9 -13,-2.4 -2,-0.3 2,-0.1 -0.980 36.2 -94.2-141.8 149.7 3.2 27.4 38.2 32 39 A K E -C 17 0A 164 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.416 42.5-162.3 -62.7 130.2 2.8 27.2 42.0 33 40 A W - 0 0 6 -17,-2.6 2,-1.1 -23,-0.1 33,-0.0 -0.987 16.2-149.9-122.6 130.0 3.6 23.7 43.2 34 41 A N - 0 0 82 -2,-0.4 2,-0.2 -19,-0.1 30,-0.1 -0.778 22.6-152.1 -99.0 85.2 2.6 22.3 46.6 35 42 A M - 0 0 38 -2,-1.1 2,-0.8 -25,-0.1 -2,-0.0 -0.425 3.9-152.3 -58.6 119.7 5.5 19.9 47.2 36 43 A Q > - 0 0 47 -2,-0.2 3,-1.7 3,-0.2 151,-0.3 -0.860 11.9-137.5-103.4 106.3 4.3 17.1 49.5 37 44 A N T 3 S+ 0 0 57 -2,-0.8 151,-0.2 1,-0.3 3,-0.1 -0.315 84.0 4.9 -61.9 135.5 7.1 15.6 51.5 38 45 A G T 3 S+ 0 0 24 149,-2.6 2,-0.4 1,-0.2 -1,-0.3 0.427 102.5 114.0 72.1 0.6 7.0 11.9 51.7 39 46 A K S < S- 0 0 116 -3,-1.7 148,-0.6 148,-0.3 2,-0.3 -0.852 71.9-112.2-106.1 142.5 4.1 11.4 49.2 40 47 A V E -H 186 0B 57 -2,-0.4 2,-0.3 146,-0.1 146,-0.2 -0.529 38.1-165.9 -72.0 125.9 4.4 9.8 45.8 41 48 A G E -H 185 0B 0 144,-3.1 144,-1.9 -2,-0.3 2,-0.4 -0.747 9.3-146.2-107.7 167.0 3.8 12.3 43.1 42 49 A T E -HI 184 59B 35 17,-2.0 17,-1.8 -2,-0.3 2,-0.4 -0.974 6.1-164.1-138.6 117.4 3.1 11.9 39.3 43 50 A A E -HI 183 58B 3 140,-2.6 140,-2.0 -2,-0.4 2,-0.5 -0.868 3.2-168.6-104.5 132.3 4.2 14.1 36.5 44 51 A H E -HI 182 57B 74 13,-2.2 13,-2.1 -2,-0.4 2,-0.4 -0.993 6.6-173.9-116.8 124.8 2.6 13.8 33.1 45 52 A I E +HI 181 56B 1 136,-3.3 136,-3.0 -2,-0.5 2,-0.3 -0.985 7.5 173.3-122.8 137.2 4.3 15.7 30.3 46 53 A I E +HI 180 55B 73 9,-2.6 9,-2.7 -2,-0.4 2,-0.3 -0.996 8.3 167.0-145.1 151.1 2.9 15.9 26.7 47 54 A Y E -HI 179 54B 17 132,-1.8 132,-2.0 -2,-0.3 2,-0.3 -0.971 6.5-175.4-160.2 145.8 3.6 17.7 23.4 48 55 A N E >> -HI 178 53B 37 5,-0.5 4,-2.6 -2,-0.3 5,-0.7 -0.995 30.7-128.0-146.3 146.7 2.4 17.4 19.8 49 56 A S T 45S+ 0 0 14 128,-3.1 129,-0.1 -2,-0.3 127,-0.1 0.664 105.0 59.7 -70.9 -16.1 3.5 19.2 16.6 50 57 A V T 45S+ 0 0 101 127,-0.3 -1,-0.2 1,-0.1 128,-0.0 0.980 118.1 28.4 -74.3 -56.8 -0.0 20.3 15.6 51 58 A D T 45S- 0 0 106 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.815 90.1-153.3 -68.4 -35.9 -0.6 22.3 18.8 52 59 A K T <5 + 0 0 81 -4,-2.6 20,-1.7 1,-0.2 2,-0.4 0.923 50.5 130.3 58.3 48.1 3.1 23.1 19.3 53 60 A R E < -IJ 48 71B 110 -5,-0.7 2,-0.6 18,-0.3 -5,-0.5 -0.992 52.4-147.6-137.2 125.2 2.4 23.4 23.0 54 61 A L E -IJ 47 70B 2 16,-3.2 16,-2.6 -2,-0.4 2,-0.3 -0.847 26.0-176.4 -94.0 122.5 4.4 21.7 25.8 55 62 A S E -IJ 46 69B 24 -9,-2.7 -9,-2.6 -2,-0.6 2,-0.3 -0.929 10.5-172.5-126.6 144.8 2.2 20.9 28.7 56 63 A A E -IJ 45 68B 2 12,-2.5 12,-1.6 -2,-0.3 2,-0.4 -0.974 5.8-170.1-137.1 146.2 2.8 19.4 32.2 57 64 A V E -IJ 44 67B 44 -13,-2.1 -13,-2.2 -2,-0.3 2,-0.5 -0.990 1.2-172.6-137.2 127.7 0.6 18.2 35.1 58 65 A V E +IJ 43 66B 1 8,-3.0 8,-1.8 -2,-0.4 2,-0.3 -0.979 17.0 166.4-122.1 117.5 1.8 17.2 38.6 59 66 A S E -I 42 0B 30 -17,-1.8 -17,-2.0 -2,-0.5 6,-0.2 -0.857 20.0-157.4-128.3 160.7 -0.7 15.7 40.9 60 67 A Y > - 0 0 6 4,-0.4 3,-1.4 -2,-0.3 -19,-0.1 -0.883 42.0 -84.0-128.4 162.9 -0.6 13.8 44.2 61 68 A P T 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -22,-0.0 -0.399 124.1 30.9 -66.3 154.3 -3.2 11.5 45.7 62 69 A N T 3 S- 0 0 181 1,-0.2 0, 0.0 -3,-0.0 0, 0.0 0.272 126.1-123.1 80.9 -17.1 -6.0 13.4 47.6 63 70 A A < + 0 0 52 -3,-1.4 2,-0.6 1,-0.2 -1,-0.2 0.574 59.1 170.9 17.2 106.7 -4.9 15.7 44.8 64 71 A D - 0 0 48 -3,-0.3 -4,-0.4 -30,-0.1 2,-0.4 -0.818 31.1-167.0-102.5 106.2 -3.6 19.1 44.4 65 72 A S - 0 0 75 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.3 -0.817 5.7-164.9 -97.1 151.6 -2.6 19.1 40.7 66 73 A A E -J 58 0B 13 -8,-1.8 -8,-3.0 -2,-0.4 2,-0.3 -0.958 8.3-174.4-131.8 144.0 -0.5 21.8 39.2 67 74 A T E -J 57 0B 83 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.997 10.5-178.8-147.1 141.9 -0.2 22.3 35.5 68 75 A V E -J 56 0B 7 -12,-1.6 -12,-2.5 -2,-0.3 2,-0.3 -0.986 6.6-171.8-141.1 136.2 1.9 24.6 33.3 69 76 A S E -J 55 0B 25 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.3 -0.965 1.9-169.6-128.4 154.2 1.9 24.9 29.4 70 77 A Y E -J 54 0B 67 -16,-2.6 -16,-3.2 -2,-0.3 2,-0.6 -0.963 22.8-128.4-150.6 128.3 4.1 26.7 27.0 71 78 A D E +J 53 0B 102 -2,-0.4 2,-0.3 -18,-0.3 -18,-0.3 -0.669 49.4 141.5 -78.5 118.3 3.7 27.4 23.3 72 79 A V - 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