==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT LECTIN 07-JUL-96 1ONA . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.BOUCKAERT,D.MAES,F.POORTMANS,L.WYNS,R.LORIS . 924 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 67.4 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 . 397 43.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 100 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 7 9 0 4 8 12 10 4 4 4 0 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 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 0 133 0, 0.0 2,-0.1 0, 0.0 227,-0.0 0.000 360.0 360.0 360.0-138.5 22.1 -3.0 3.3 2 2 A D - 0 0 45 213,-0.1 2,-0.6 225,-0.1 208,-0.0 -0.331 360.0-125.8 -78.8 161.6 20.0 -3.0 6.5 3 3 A T - 0 0 35 -2,-0.1 208,-0.6 2,-0.0 2,-0.4 -0.964 34.6-167.5-108.2 120.1 21.1 -1.6 9.8 4 4 A I E +A 210 0A 2 -2,-0.6 26,-3.5 206,-0.2 2,-0.4 -0.948 25.0 172.4-122.7 131.6 20.8 -4.3 12.5 5 5 A V E +AB 209 29A 3 204,-1.9 204,-2.8 -2,-0.4 2,-0.3 -0.997 28.8 159.9-126.5 120.7 21.0 -4.2 16.3 6 6 A A E -AB 208 28A 2 22,-2.2 22,-2.6 -2,-0.4 2,-0.5 -0.970 42.6-137.4-145.5 160.6 20.0 -7.6 17.8 7 7 A V E -AB 207 27A 1 200,-2.3 200,-1.9 -2,-0.3 2,-0.3 -0.993 35.2-158.0-116.6 111.1 20.3 -9.8 20.9 8 8 A E E -AB 206 26A 0 18,-1.6 18,-2.0 -2,-0.5 2,-0.6 -0.737 23.4-158.0-100.8 147.9 21.0 -13.3 19.7 9 9 A L E -AB 205 25A 0 196,-2.6 196,-1.6 -2,-0.3 2,-1.0 -0.907 25.3-165.5-119.0 87.5 20.5 -16.6 21.5 10 10 A D E +AB 204 24A 2 14,-2.0 14,-1.9 -2,-0.6 194,-0.2 -0.728 16.8 178.0 -86.7 100.7 23.1 -18.6 19.5 11 11 A T + 0 0 1 -2,-1.0 193,-0.2 192,-0.6 -1,-0.2 0.688 69.0 55.3 -74.8 -21.3 22.5 -22.3 20.0 12 12 A Y S S- 0 0 56 191,-1.1 2,-0.4 10,-0.1 -1,-0.1 -0.957 79.4-137.3-121.2 117.6 25.3 -23.4 17.7 13 13 A P - 0 0 20 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.587 12.8-169.2 -74.4 121.6 28.9 -22.2 18.1 14 14 A N > > + 0 0 15 -2,-0.4 3,-2.3 1,-0.2 5,-1.9 -0.765 7.4 178.8-109.5 78.3 30.6 -21.2 14.7 15 15 A T G > 5S+ 0 0 94 -2,-0.6 3,-1.4 1,-0.3 -1,-0.2 0.793 75.6 66.4 -52.6 -27.8 34.1 -20.9 16.0 16 16 A D G 3 5S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.732 104.0 41.8 -68.9 -27.3 35.1 -20.1 12.4 17 17 A I G < 5S- 0 0 6 -3,-2.3 -1,-0.3 15,-0.1 -2,-0.2 -0.033 133.8 -82.0-109.4 29.2 33.2 -16.8 12.3 18 18 A G T < 5S+ 0 0 52 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.541 80.6 144.0 91.2 8.2 34.2 -15.7 15.8 19 19 A D < - 0 0 7 -5,-1.9 -1,-0.3 1,-0.1 14,-0.0 -0.537 51.3-114.9 -81.8 145.1 31.8 -17.6 18.0 20 20 A P - 0 0 27 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.236 39.6 -94.0 -68.7 170.7 32.9 -19.0 21.4 21 21 A S S S+ 0 0 95 -8,-0.1 -2,-0.0 -7,-0.1 3,-0.0 0.014 100.8 44.5 -77.4 33.0 33.0 -22.8 21.8 22 22 A Y S S- 0 0 85 -2,-0.7 -8,-0.1 -10,-0.1 -10,-0.1 -0.985 100.1 -70.8-166.6 161.4 29.5 -23.0 23.3 23 23 A P + 0 0 38 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.361 63.8 168.8 -57.1 144.4 26.0 -21.8 23.0 24 24 A H E -BC 10 39A 0 -14,-1.9 -14,-2.0 15,-0.3 2,-0.4 -0.917 36.8-126.9-153.5 167.9 25.9 -18.2 24.0 25 25 A I E +BC 9 38A 0 13,-2.3 13,-1.8 -2,-0.3 2,-0.3 -0.911 39.1 172.6-116.0 148.3 23.8 -15.0 24.1 26 26 A G E -BC 8 37A 0 -18,-2.0 -18,-1.6 -2,-0.4 2,-0.6 -0.955 35.7-115.5-153.2 173.0 25.3 -11.9 22.5 27 27 A I E -BC 7 36A 0 9,-2.2 8,-3.3 -2,-0.3 9,-0.8 -0.968 28.8-164.1-118.8 114.0 24.8 -8.4 21.5 28 28 A D E -B 6 0A 0 -22,-2.6 -22,-2.2 -2,-0.6 2,-0.7 -0.875 8.9-174.6-103.4 121.6 25.2 -7.7 17.8 29 29 A I E S-B 5 0A 16 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.911 79.2 -39.4-117.4 98.3 25.7 -4.2 16.5 30 30 A K S S+ 0 0 120 -26,-3.5 2,-0.3 -2,-0.7 -25,-0.1 0.759 128.3 77.2 56.0 31.4 25.6 -4.3 12.7 31 31 A S S S- 0 0 9 -27,-0.2 4,-0.2 1,-0.0 -2,-0.1 -0.927 75.2-137.8-167.0 140.2 27.6 -7.5 12.7 32 32 A V S S+ 0 0 0 198,-0.4 2,-1.3 -2,-0.3 199,-0.1 0.550 90.1 90.4 -74.2 -14.2 26.9 -11.2 13.4 33 33 A R S S- 0 0 100 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.762 92.4-122.4 -86.9 94.9 30.1 -11.2 15.4 34 34 A S - 0 0 25 -2,-1.3 -6,-0.3 1,-0.1 3,-0.2 0.007 9.8-146.3 -40.7 132.3 28.8 -10.3 18.8 35 35 A K S S+ 0 0 96 -8,-3.3 2,-0.3 1,-0.3 -7,-0.1 0.805 91.8 7.6 -70.9 -24.5 30.2 -7.1 20.4 36 36 A K E S-C 27 0A 92 -9,-0.8 -9,-2.2 41,-0.1 -1,-0.3 -0.964 75.0-176.0-157.0 134.5 29.7 -8.9 23.7 37 37 A T E -C 26 0A 52 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.781 8.0-163.5-128.3 175.1 28.7 -12.5 24.5 38 38 A A E -C 25 0A 22 -13,-1.8 -13,-2.3 -2,-0.2 37,-0.1 -0.965 35.3 -96.7-156.7 145.1 28.0 -14.7 27.5 39 39 A K E -C 24 0A 117 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.382 38.3-161.8 -66.9 144.6 27.8 -18.4 27.9 40 40 A W - 0 0 7 -17,-2.5 2,-1.5 -30,-0.1 32,-0.1 -0.985 16.6-148.8-135.6 120.5 24.3 -19.8 27.7 41 41 A N - 0 0 112 -2,-0.4 2,-0.1 30,-0.1 -17,-0.1 -0.699 26.8-157.3 -88.6 85.2 23.2 -23.2 28.9 42 42 A M - 0 0 35 -2,-1.5 2,-0.7 -31,-0.1 -2,-0.0 -0.384 4.6-145.8 -63.9 137.4 20.5 -23.9 26.4 43 43 A Q > - 0 0 66 3,-0.2 3,-2.2 -2,-0.1 151,-0.2 -0.833 12.8-140.2-113.0 96.4 17.9 -26.4 27.5 44 44 A N T 3 S+ 0 0 74 -2,-0.7 151,-0.3 1,-0.3 3,-0.1 -0.268 86.3 13.5 -54.7 126.9 16.6 -28.4 24.6 45 45 A G T 3 S+ 0 0 30 149,-2.5 2,-0.3 1,-0.3 -1,-0.3 0.201 103.0 108.0 92.2 -14.9 12.9 -29.0 24.9 46 46 A K S < S- 0 0 116 -3,-2.2 148,-0.7 148,-0.4 2,-0.5 -0.714 72.2-114.2 -99.9 149.3 12.2 -26.4 27.7 47 47 A V E -H 193 0B 56 -2,-0.3 146,-0.2 146,-0.2 2,-0.2 -0.661 37.8-168.9 -83.1 123.1 10.5 -23.1 27.4 48 48 A G E -H 192 0B 0 144,-1.9 144,-1.6 -2,-0.5 2,-0.3 -0.524 12.1-141.7-104.2 176.2 12.8 -20.2 28.0 49 49 A T E -HI 191 66B 36 17,-1.9 17,-2.8 142,-0.2 2,-0.4 -0.996 9.0-165.0-140.8 136.4 12.3 -16.5 28.5 50 50 A A E -HI 190 65B 0 140,-2.2 140,-1.6 -2,-0.3 2,-0.4 -0.974 0.7-167.9-125.7 134.1 14.4 -13.5 27.3 51 51 A H E -HI 189 64B 15 13,-2.1 13,-2.2 -2,-0.4 2,-0.4 -0.999 7.5-173.9-120.8 125.6 14.2 -10.0 28.6 52 52 A I E +HI 188 63B 0 136,-2.5 136,-1.9 -2,-0.4 2,-0.3 -0.939 6.6 176.0-120.0 144.0 15.9 -7.2 26.7 53 53 A I E +HI 187 62B 28 9,-2.6 9,-2.9 -2,-0.4 2,-0.3 -0.996 11.6 171.5-150.2 146.9 16.2 -3.5 27.8 54 54 A Y E -HI 186 61B 13 132,-2.1 132,-1.6 -2,-0.3 2,-0.3 -0.978 5.6-177.4-150.1 147.2 17.8 -0.3 26.8 55 55 A N E >> -HI 185 60B 18 5,-0.5 4,-2.8 -2,-0.3 5,-0.6 -0.990 32.5-128.0-147.7 144.6 17.4 3.3 28.1 56 56 A S T 45S+ 0 0 20 128,-2.7 129,-0.1 -2,-0.3 127,-0.0 0.632 103.3 65.9 -68.0 -16.9 18.9 6.6 27.0 57 57 A V T 45S+ 0 0 22 127,-0.2 -1,-0.2 1,-0.1 705,-0.1 0.971 120.1 17.8 -69.2 -52.3 20.2 7.4 30.5 58 58 A D T 45S- 0 0 9 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.767 87.6-147.8 -85.6 -33.1 22.7 4.5 30.6 59 59 A K T <5 + 0 0 55 -4,-2.8 20,-2.1 1,-0.2 2,-0.4 0.911 52.0 137.7 61.2 41.1 22.8 3.9 26.9 60 60 A R E < -IJ 55 78B 58 -5,-0.6 2,-0.6 18,-0.2 -5,-0.5 -0.978 47.2-149.1-120.5 130.1 23.4 0.2 27.8 61 61 A L E +IJ 54 77B 3 16,-2.5 16,-2.4 -2,-0.4 2,-0.3 -0.919 25.3 179.4-100.8 119.0 21.6 -2.6 26.0 62 62 A S E -IJ 53 76B 0 -9,-2.9 -9,-2.6 -2,-0.6 2,-0.3 -0.914 12.4-175.9-123.2 154.5 21.0 -5.6 28.3 63 63 A A E -IJ 52 75B 1 12,-2.2 12,-1.8 -2,-0.3 2,-0.4 -0.989 6.6-165.4-146.1 149.1 19.5 -9.0 27.9 64 64 A V E -IJ 51 74B 2 -13,-2.2 -13,-2.1 -2,-0.3 2,-0.4 -0.974 4.2-167.0-141.2 122.9 18.7 -11.9 30.3 65 65 A V E +IJ 50 73B 1 8,-2.3 8,-2.5 -2,-0.4 2,-0.3 -0.932 18.5 169.5-111.5 133.8 17.8 -15.4 29.2 66 66 A S E -I 49 0B 12 -17,-2.8 -17,-1.9 -2,-0.4 6,-0.1 -0.975 28.2-157.3-149.0 152.4 16.4 -17.8 31.7 67 67 A Y > - 0 0 9 4,-0.4 3,-1.4 -2,-0.3 -19,-0.1 -0.922 49.0 -89.1-119.2 147.8 14.8 -21.2 32.2 68 68 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.358 110.4 10.4 -61.4 141.3 12.8 -21.9 35.3 69 69 A N T 3 S+ 0 0 177 1,-0.2 2,-0.3 810,-0.1 810,-0.0 0.719 113.5 95.3 63.1 28.4 14.8 -23.3 38.2 70 70 A A S < S- 0 0 40 -3,-1.4 -1,-0.2 0, 0.0 -3,-0.2 -0.922 82.2 -95.0-143.1 157.6 18.1 -22.6 36.4 71 71 A D - 0 0 160 -2,-0.3 -4,-0.4 -3,-0.1 2,-0.2 -0.341 42.5-124.9 -68.6 158.8 20.6 -19.8 36.5 72 72 A S - 0 0 61 -6,-0.1 2,-0.4 -2,-0.1 -6,-0.2 -0.662 7.8-131.4-105.0 161.3 20.2 -17.1 33.9 73 73 A A E -J 65 0B 12 -8,-2.5 -8,-2.3 -2,-0.2 2,-0.4 -0.901 25.9-170.7-109.7 142.6 22.7 -15.8 31.3 74 74 A T E +J 64 0B 62 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -1.000 10.2 178.5-138.3 138.8 23.1 -12.0 31.0 75 75 A V E -J 63 0B 3 -12,-1.8 -12,-2.2 -2,-0.4 2,-0.3 -0.988 4.0-177.0-141.7 138.5 25.0 -9.9 28.6 76 76 A S E -J 62 0B 9 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.997 2.7-172.4-136.9 145.2 25.2 -6.1 28.4 77 77 A Y E -J 61 0B 77 -16,-2.4 -16,-2.5 -2,-0.3 2,-0.6 -0.982 25.5-125.2-146.2 126.1 26.8 -3.7 26.0 78 78 A D E +J 60 0B 101 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.592 47.7 151.1 -68.6 114.9 27.4 0.0 26.1 79 79 A V - 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