==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 28-JUL-95 1APN . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.BOUCKAERT,R.LORIS,F.POORTMANS,L.WYNS . 449 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 69.9 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 46.5 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 . 52 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 6 0 2 5 4 4 3 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 1 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 0 132 0, 0.0 207,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.7 27.0 23.4 25.4 2 2 A D - 0 0 47 207,-0.2 2,-0.5 219,-0.1 202,-0.0 -0.215 360.0-128.3 -67.4 153.5 24.1 20.9 25.7 3 3 A T - 0 0 36 2,-0.0 202,-0.7 20,-0.0 2,-0.4 -0.965 32.3-169.9-102.0 124.7 20.6 22.0 24.5 4 4 A I E +A 204 0A 4 -2,-0.5 20,-3.1 200,-0.2 2,-0.4 -0.966 25.4 177.7-123.5 129.3 18.0 21.4 27.2 5 5 A V E +AB 203 23A 4 198,-1.9 198,-2.3 -2,-0.4 2,-0.3 -0.986 30.3 171.4-111.9 135.3 14.2 21.5 27.2 6 6 A A E -AB 202 22A 1 16,-1.9 16,-2.9 -2,-0.4 2,-0.6 -0.998 38.5-151.0-147.1 145.5 13.0 20.5 30.8 7 7 A V E -AB 201 21A 4 194,-2.4 194,-2.4 -2,-0.3 2,-0.4 -0.991 36.7-176.7-109.1 112.0 9.9 20.4 33.0 8 8 A E E -AB 200 20A 3 12,-2.5 12,-2.7 -2,-0.6 2,-0.5 -0.925 25.0-160.8-120.0 148.4 11.2 20.9 36.5 9 9 A L E +AB 199 19A 0 190,-2.5 190,-2.0 -2,-0.4 2,-0.3 -0.984 32.3 158.4-119.2 119.3 9.6 20.9 40.0 10 10 A D E -AB 198 18A 2 8,-2.2 8,-1.7 -2,-0.5 188,-0.2 -0.986 42.4-161.8-149.1 166.6 11.8 22.6 42.7 11 11 A T + 0 0 21 186,-2.1 187,-0.1 -2,-0.3 -1,-0.1 0.002 42.4 143.7-128.1 13.5 11.9 24.4 46.1 12 12 A Y - 0 0 22 185,-0.3 -2,-0.1 1,-0.1 184,-0.0 -0.431 50.5-133.6 -65.3 142.2 15.2 26.3 45.9 13 13 A P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 183,-0.0 0.978 57.3 133.8 -49.1 -66.7 15.2 29.6 47.5 14 14 A N 0 0 103 1,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.542 360.0 360.0 -13.4 93.4 16.9 31.5 44.8 15 15 A T 0 0 185 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.386 360.0 360.0-125.0 360.0 14.8 34.6 44.4 16 ! 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 17 23 A P 0 0 85 0, 0.0 17,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.7 7.8 25.5 45.3 18 24 A H E -BC 10 33A 44 -8,-1.7 -8,-2.2 15,-0.3 2,-0.3 -0.974 360.0-128.2-160.0 151.5 6.8 25.7 41.7 19 25 A I E -BC 9 32A 0 13,-2.0 13,-2.2 -2,-0.3 2,-0.3 -0.815 38.4-175.7 -98.7 146.1 6.7 23.6 38.6 20 26 A G E -BC 8 31A 0 -12,-2.7 -12,-2.5 -2,-0.3 2,-0.6 -0.996 29.4-134.8-145.4 155.6 8.4 25.2 35.5 21 27 A I E -BC 7 30A 0 9,-2.8 8,-2.1 -2,-0.3 9,-1.0 -0.939 24.1-166.4-104.6 122.0 9.1 24.9 31.8 22 28 A D E -B 6 0A 0 -16,-2.9 -16,-1.9 -2,-0.6 2,-0.8 -0.927 8.3-169.1-109.1 118.8 12.7 25.7 30.9 23 29 A I E S-B 5 0A 10 -2,-0.6 2,-0.8 4,-0.3 -18,-0.2 -0.910 77.1 -43.8-110.2 103.0 13.6 26.2 27.2 24 30 A K S S+ 0 0 128 -20,-3.1 2,-0.3 -2,-0.8 -19,-0.1 0.075 126.2 68.8 65.2 -17.7 17.4 26.2 27.1 25 31 A S S S- 0 0 22 -2,-0.8 4,-0.2 2,-0.2 -2,-0.1 -0.872 80.4-124.7-124.3 162.7 17.9 28.5 30.2 26 32 A V S S+ 0 0 3 200,-0.8 2,-1.4 198,-0.4 199,-0.1 0.694 91.6 96.1 -81.0 -14.0 17.3 27.9 33.9 27 33 A R S S- 0 0 170 199,-0.6 -4,-0.3 -4,-0.1 -2,-0.2 -0.609 87.2-128.1 -74.5 93.6 15.2 31.1 33.8 28 34 A S - 0 0 36 -2,-1.4 -6,-0.2 1,-0.2 3,-0.1 -0.149 11.6-149.3 -48.5 130.4 11.9 29.3 33.4 29 35 A K S S+ 0 0 92 -8,-2.1 2,-0.3 1,-0.3 -7,-0.2 0.788 87.0 7.0 -72.4 -26.9 9.7 30.5 30.5 30 36 A K E +C 21 0A 96 -9,-1.0 -9,-2.8 41,-0.1 2,-0.3 -0.962 69.8 179.6-155.9 138.4 6.6 29.6 32.5 31 37 A T E -C 20 0A 77 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.971 7.8-164.8-136.2 152.3 6.1 28.5 36.2 32 38 A A E -C 19 0A 28 -13,-2.2 -13,-2.0 -2,-0.3 2,-0.2 -0.915 39.0 -90.4-131.9 161.6 3.1 27.6 38.4 33 39 A K E -C 18 0A 163 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.530 43.3-158.8 -70.2 129.7 2.9 27.3 42.2 34 40 A W - 0 0 6 -17,-2.0 2,-1.0 -2,-0.2 33,-0.1 -0.916 14.3-149.8-115.4 144.9 3.6 23.7 43.5 35 41 A N - 0 0 70 -2,-0.4 2,-0.2 2,-0.0 30,-0.1 -0.805 20.1-152.4-114.5 90.4 2.6 22.3 46.7 36 42 A M - 0 0 38 -2,-1.0 2,-0.8 -26,-0.1 25,-0.0 -0.451 2.7-153.5 -59.1 122.9 5.4 19.8 47.4 37 43 A Q > - 0 0 51 -2,-0.2 3,-1.6 3,-0.2 151,-0.3 -0.862 14.8-139.6-106.8 103.0 4.0 17.0 49.7 38 44 A N T 3 S+ 0 0 54 -2,-0.8 151,-0.2 1,-0.3 3,-0.1 -0.341 83.8 9.8 -57.3 134.5 6.9 15.5 51.6 39 45 A G T 3 S+ 0 0 20 149,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.319 105.0 112.2 74.9 -11.3 6.9 11.7 51.9 40 46 A K S < S- 0 0 108 -3,-1.6 148,-0.7 148,-0.3 2,-0.4 -0.740 72.6-115.0 -97.9 147.2 3.9 11.4 49.4 41 47 A V E -G 187 0B 63 -2,-0.3 2,-0.3 146,-0.2 146,-0.2 -0.642 35.6-167.9 -72.9 122.4 4.2 9.8 46.0 42 48 A G E -G 186 0B 0 144,-3.3 144,-2.2 -2,-0.4 2,-0.4 -0.769 10.1-147.9-105.4 168.9 3.6 12.4 43.2 43 49 A T E -GH 185 60B 33 17,-1.7 17,-1.8 -2,-0.3 2,-0.4 -0.990 5.1-161.9-137.2 118.4 3.0 11.8 39.4 44 50 A A E -GH 184 59B 0 140,-2.5 140,-1.9 -2,-0.4 2,-0.4 -0.881 4.6-167.1-100.0 136.7 4.2 14.2 36.6 45 51 A H E -GH 183 58B 74 13,-2.7 13,-1.9 -2,-0.4 2,-0.4 -1.000 6.5-172.9-122.3 122.6 2.5 13.8 33.1 46 52 A I E +GH 182 57B 1 136,-2.9 136,-2.1 -2,-0.4 2,-0.3 -0.975 6.5 177.3-118.9 133.7 4.2 15.8 30.3 47 53 A I E +GH 181 56B 79 9,-2.9 9,-2.2 -2,-0.4 2,-0.3 -0.984 8.5 165.6-142.0 147.9 2.7 16.0 26.8 48 54 A Y E -GH 180 55B 16 132,-1.9 132,-2.2 -2,-0.3 2,-0.3 -0.952 5.9-179.3-155.8 142.8 3.5 17.7 23.5 49 55 A N E >> -GH 179 54B 39 5,-0.5 4,-2.3 -2,-0.3 5,-0.7 -0.983 32.7-126.8-143.7 150.5 2.4 17.4 19.8 50 56 A S T 45S+ 0 0 21 128,-3.0 129,-0.1 -2,-0.3 127,-0.0 0.529 104.0 62.2 -75.4 -8.4 3.5 19.3 16.7 51 57 A V T 45S+ 0 0 101 127,-0.3 -1,-0.2 1,-0.1 128,-0.1 0.911 117.2 26.8 -78.8 -47.0 -0.0 20.4 15.7 52 58 A D T 45S- 0 0 102 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.782 91.9-151.4 -82.7 -30.9 -0.7 22.4 18.9 53 59 A K T <5 + 0 0 69 -4,-2.3 20,-1.7 1,-0.2 2,-0.4 0.914 49.6 127.1 56.6 51.9 3.0 23.2 19.5 54 60 A R E < -HI 49 72B 104 -5,-0.7 2,-0.6 18,-0.3 -5,-0.5 -0.999 53.5-144.0-145.0 128.0 2.5 23.5 23.1 55 61 A L E +HI 48 71B 2 16,-3.3 16,-2.6 -2,-0.4 2,-0.3 -0.918 27.8 179.6 -96.1 122.5 4.3 21.8 25.9 56 62 A S E -HI 47 70B 24 -9,-2.2 -9,-2.9 -2,-0.6 2,-0.3 -0.939 9.2-176.8-124.4 148.2 2.1 20.9 28.9 57 63 A A E -HI 46 69B 1 12,-1.9 12,-1.5 -2,-0.3 2,-0.4 -0.978 8.8-168.3-141.8 150.4 2.6 19.3 32.3 58 64 A V E -HI 45 68B 45 -13,-1.9 -13,-2.7 -2,-0.3 2,-0.4 -0.993 3.2-169.4-134.5 138.5 0.4 18.2 35.3 59 65 A V E +HI 44 67B 2 8,-2.3 8,-1.6 -2,-0.4 2,-0.3 -0.996 17.0 179.3-120.9 128.1 1.8 17.1 38.7 60 66 A S E -HI 43 66B 31 -17,-1.8 -17,-1.7 -2,-0.4 6,-0.3 -0.939 18.8-155.3-129.2 152.8 -0.7 15.6 41.1 61 67 A Y E >> - 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