==== 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 (AGGLUTININ) 21-DEC-81 1CN1 . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR M.SHOHAM,A.YONATH,J.L.SUSSMAN,J.MOULT,W.TRAUB, . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 49.2 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 . 132 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 43 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 2.3 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 . 13 13 2 3 0 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 1 0 1 0 0 0 0 0 0 0 1 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 0 149 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -18.2 23.8 22.9 26.8 2 2 A D + 0 0 76 28,-0.0 2,-0.3 214,-0.0 213,-0.0 -0.970 360.0 175.9-124.0 116.2 22.0 25.5 24.6 3 3 A T + 0 0 31 -2,-0.5 213,-1.5 230,-0.1 2,-0.3 -0.777 7.3 151.6-111.9 160.0 22.2 25.0 20.9 4 4 A I E -A 215 0A 2 -2,-0.3 26,-0.4 211,-0.2 211,-0.3 -0.952 25.4-154.2-176.3 162.5 20.6 26.9 18.1 5 5 A V E +A 214 0A 2 209,-2.2 209,-1.2 -2,-0.3 2,-0.2 -0.675 27.4 155.2-157.8 108.2 21.2 27.8 14.4 6 6 A A E -A 213 0A 2 22,-0.3 2,-0.4 -2,-0.2 207,-0.2 -0.412 45.8-106.5-121.2-175.5 19.7 30.9 12.9 7 7 A V - 0 0 6 205,-0.6 20,-0.2 20,-0.2 203,-0.1 -0.948 38.1-136.3-120.6 105.9 20.5 33.2 10.0 8 8 A E B -E 26 0B 1 18,-1.5 18,-1.3 -2,-0.4 203,-0.2 -0.032 20.6-173.5 -61.2 148.5 21.9 36.5 11.3 9 9 A L + 0 0 3 201,-1.4 202,-0.1 16,-0.2 -1,-0.1 -0.119 16.8 179.7-140.7 34.0 20.7 39.8 9.8 10 10 A D + 0 0 0 199,-0.2 14,-0.8 1,-0.2 199,-0.4 -0.089 9.7 179.7 -37.6 106.2 23.2 42.1 11.7 11 11 A T + 0 0 12 197,-3.6 198,-0.3 12,-0.2 -1,-0.2 0.587 66.7 69.0 -97.0 -13.5 22.4 45.6 10.5 12 12 A Y S S- 0 0 68 196,-2.4 2,-1.5 10,-0.2 10,-0.2 -0.897 91.3-124.9-109.4 106.7 25.1 47.2 12.7 13 13 A P - 0 0 36 0, 0.0 2,-1.9 0, 0.0 3,-0.2 -0.164 31.8-177.6 -41.9 77.1 28.7 46.3 11.5 14 14 A N > > + 0 0 1 -2,-1.5 3,-2.9 8,-0.3 5,-0.5 -0.243 10.9 168.1 -87.9 56.5 29.5 45.0 14.9 15 15 A T G > 5 + 0 0 59 -2,-1.9 3,-1.1 1,-0.3 -1,-0.2 0.504 63.6 77.9 -44.0 -12.7 33.0 44.4 13.4 16 16 A D G 3 5S+ 0 0 123 1,-0.3 2,-0.5 -3,-0.2 -1,-0.3 0.967 83.9 59.1 -62.1 -54.1 34.1 43.8 17.0 17 17 A I G < 5S- 0 0 2 -3,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.066 130.0-109.6 -62.9 28.0 32.5 40.3 16.7 18 18 A G T < 5S+ 0 0 57 -3,-1.1 -3,-0.2 -2,-0.5 -1,-0.2 0.067 77.7 148.9 51.7 -2.7 35.2 40.4 13.9 19 19 A D < - 0 0 14 -5,-0.5 -1,-0.2 1,-0.1 2,-0.1 0.353 61.1 -68.3 -40.3 170.8 32.0 40.5 11.8 20 20 A P - 0 0 18 0, 0.0 2,-3.4 0, 0.0 4,-0.2 -0.455 53.1-107.7 -60.2 149.8 31.9 42.3 8.5 21 21 A S S S+ 0 0 87 -7,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 -0.061 92.0 7.3 -73.9 42.7 32.2 46.0 9.0 22 22 A Y S S- 0 0 74 -2,-3.4 2,-1.9 -10,-0.2 -8,-0.3 -0.987 111.8 -16.4 178.7-164.0 28.5 46.4 8.1 23 23 A P S S+ 0 0 24 0, 0.0 17,-1.4 0, 0.0 -12,-0.2 -0.459 74.8 143.6 -69.4 87.3 25.1 45.1 7.3 24 24 A H - 0 0 0 -2,-1.9 2,-0.3 -14,-0.8 15,-0.1 0.404 32.8-154.8 -96.7-122.9 26.1 41.5 6.5 25 25 A I + 0 0 7 -16,-0.1 13,-0.6 11,-0.0 2,-0.3 -0.855 20.0 157.1 158.0-180.0 24.1 38.3 7.3 26 26 A G B -EF 8 37B 2 -18,-1.3 -18,-1.5 -2,-0.3 2,-0.6 -0.929 45.9 -87.0 155.6 176.5 25.2 34.8 7.8 27 27 A I - 0 0 3 9,-0.7 8,-0.4 -2,-0.3 -20,-0.2 -0.751 37.6-171.3-115.8 73.9 24.7 31.3 9.2 28 28 A D - 0 0 2 -2,-0.6 -22,-0.3 6,-0.2 2,-0.3 -0.417 8.0-159.1 -67.6 145.9 26.1 31.2 12.8 29 29 A I S S- 0 0 11 2,-0.5 -24,-0.2 4,-0.2 -1,-0.1 -0.586 71.4 -46.9-126.1 76.5 26.1 27.6 14.0 30 30 A K S S+ 0 0 122 -26,-0.4 2,-0.7 -2,-0.3 -25,-0.1 -0.087 126.4 83.5 84.7 -30.0 26.2 28.0 17.8 31 31 A S S S- 0 0 53 1,-0.2 -2,-0.5 2,-0.1 206,-0.1 -0.864 78.4-136.6-117.6 119.5 29.0 30.6 17.8 32 32 A V S S+ 0 0 2 -2,-0.7 2,-1.1 203,-0.4 -1,-0.2 0.559 88.7 88.2 -31.6 -34.6 27.8 34.2 17.2 33 33 A R S S- 0 0 94 204,-1.0 -4,-0.2 203,-0.3 -2,-0.1 -0.741 87.7-126.4 -86.1 108.5 30.7 34.6 14.9 34 34 A S - 0 0 24 -2,-1.1 -6,-0.2 -6,-0.1 3,-0.2 0.410 8.6-139.2 -42.3 159.9 29.3 33.4 11.5 35 35 A K S S+ 0 0 79 -8,-0.4 2,-0.4 1,-0.3 -7,-0.1 0.784 93.2 11.0 -89.0 -56.2 30.6 30.8 9.1 36 36 A K S S- 0 0 102 -9,-0.1 -9,-0.7 2,-0.0 -1,-0.3 -0.994 74.8-175.8-133.0 125.7 29.9 32.7 5.9 37 37 A T B -F 26 0B 56 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.714 0.7-176.0-110.7 166.4 28.9 36.4 5.9 38 38 A A - 0 0 31 -13,-0.6 -2,-0.0 -2,-0.2 35,-0.0 -0.841 30.4 -92.9-170.7 148.0 27.9 38.7 3.1 39 39 A K - 0 0 130 -2,-0.3 2,-0.3 -15,-0.1 -15,-0.3 0.045 36.4-178.6 -58.6 151.4 27.0 42.4 2.5 40 40 A W - 0 0 4 -17,-1.4 2,-1.0 33,-0.0 33,-0.1 -0.873 23.6-138.8-158.8 117.2 23.4 43.6 2.6 41 41 A N - 0 0 119 -2,-0.3 30,-0.1 31,-0.3 -30,-0.0 -0.811 25.3-153.9 -84.3 105.6 22.1 47.1 2.0 42 42 A M - 0 0 57 -2,-1.0 2,-0.3 -31,-0.1 -1,-0.1 0.320 6.3-152.3 -44.0-169.3 19.4 47.7 4.6 43 43 A Q > - 0 0 90 3,-0.2 3,-0.5 156,-0.1 156,-0.3 -0.823 8.8-126.1-175.0 137.5 16.6 50.2 3.9 44 44 A D T 3 S+ 0 0 55 -2,-0.3 156,-0.2 1,-0.2 3,-0.1 -0.460 88.0 7.1 -92.8 167.8 14.5 52.3 6.2 45 45 A G T 3 S+ 0 0 17 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.594 109.4 121.3 41.2 19.6 10.7 52.6 6.5 46 46 A K E < -G 199 0C 99 153,-0.8 153,-0.5 -3,-0.5 2,-0.3 -0.940 68.0-123.1-116.3 133.1 11.1 49.7 4.0 47 47 A V E -G 198 0C 63 -2,-0.4 151,-0.3 151,-0.2 2,-0.2 -0.579 25.0-160.8 -75.9 134.6 9.8 46.2 4.4 48 48 A G - 0 0 0 149,-4.7 149,-0.3 -2,-0.3 2,-0.2 -0.541 3.5-159.6-112.2 173.1 12.4 43.3 4.2 49 49 A T B -U 66 0D 46 17,-0.7 17,-0.8 147,-0.3 147,-0.3 -0.691 7.4-160.1-158.3 94.8 11.6 39.6 3.5 50 50 A A E -H 195 0C 2 145,-2.4 145,-2.5 -2,-0.2 2,-0.3 -0.445 3.4-163.7 -81.4 166.1 14.1 36.9 4.5 51 51 A H E -H 194 0C 86 13,-0.3 13,-0.5 143,-0.3 143,-0.3 -0.984 7.7-179.9-142.2 132.2 14.1 33.4 3.0 52 52 A I + 0 0 2 141,-2.4 2,-0.2 -2,-0.3 11,-0.1 -0.513 7.1 167.5-117.3-165.3 15.9 30.2 4.4 53 53 A I - 0 0 45 9,-0.2 9,-2.0 -2,-0.2 2,-0.3 -0.539 9.7-177.8 162.6 150.1 16.0 26.6 3.0 54 54 A Y - 0 0 4 137,-0.9 137,-0.4 7,-0.2 2,-0.3 -0.943 8.9-157.6-155.6 158.3 17.8 23.3 3.4 55 55 A N > - 0 0 61 -2,-0.3 4,-3.0 135,-0.2 5,-0.4 -0.984 17.7-141.0-145.9 136.2 17.8 19.8 1.8 56 56 A S T 4 S+ 0 0 36 -2,-0.3 132,-0.2 2,-0.2 -1,-0.1 0.766 108.2 40.8 -67.5 -36.8 19.0 16.5 3.3 57 57 A V T 4 S+ 0 0 110 1,-0.1 -1,-0.2 2,-0.0 131,-0.1 0.659 119.8 48.0 -93.4 -5.4 20.5 15.3 0.1 58 58 A D T 4 S- 0 0 93 22,-0.1 -2,-0.2 2,-0.0 -1,-0.1 0.962 82.5-152.2 -94.6 -65.7 21.9 18.8 -0.7 59 59 A K < + 0 0 97 -4,-3.0 21,-0.1 21,-0.1 -3,-0.1 0.903 49.2 119.7 81.6 79.0 23.6 20.0 2.4 60 60 A R - 0 0 135 -5,-0.4 2,-0.4 18,-0.3 18,-0.3 -0.355 40.3-167.7-175.0 87.7 23.3 23.7 2.1 61 61 A L E +V 77 0E 2 16,-2.2 16,-1.3 -7,-0.1 2,-0.3 -0.598 38.5 141.1 -78.5 133.3 21.5 26.0 4.6 62 62 A S E -V 76 0E 21 -9,-2.0 2,-0.3 -2,-0.4 14,-0.2 -0.898 29.4-172.3-158.2-171.3 21.2 29.3 2.9 63 63 A A E -V 75 0E 10 12,-1.4 12,-0.9 -2,-0.3 2,-0.3 -0.945 14.1-141.6-173.7 178.4 19.1 32.4 2.2 64 64 A V E -V 74 0E 59 -13,-0.5 2,-0.6 -2,-0.3 10,-0.3 -0.958 12.4-148.2-161.4 140.8 18.8 35.6 0.2 65 65 A V - 0 0 3 8,-2.7 -15,-0.2 -2,-0.3 2,-0.1 -0.849 22.9-178.9-125.6 99.0 17.5 38.9 1.4 66 66 A S B -U 49 0D 48 -17,-0.8 -17,-0.7 -2,-0.6 6,-0.3 -0.338 22.4-162.0 -94.9 176.4 15.7 41.1 -1.2 67 67 A Y > - 0 0 8 4,-1.0 3,-1.2 -19,-0.1 -19,-0.1 -0.829 45.1-100.7-153.6 108.1 14.0 44.6 -1.3 68 68 A P T 3 S+ 0 0 91 0, 0.0 3,-0.2 0, 0.0 2,-0.1 0.040 102.6 8.2 -45.8 156.0 11.7 45.0 -4.3 69 69 A N T 3 S+ 0 0 174 1,-0.3 2,-0.0 0, 0.0 -3,-0.0 -0.074 128.8 74.7 54.4 -17.4 12.8 46.9 -7.4 70 70 A A S < S- 0 0 59 -3,-1.2 -1,-0.3 1,-0.2 2,-0.1 0.135 92.2 -91.8 -85.2-167.7 16.1 46.8 -5.5 71 71 A D - 0 0 145 -3,-0.2 -4,-1.0 1,-0.1 -1,-0.2 -0.239 30.4-159.1-102.0-167.4 18.6 44.0 -4.9 72 72 A A - 0 0 31 -6,-0.3 -6,-0.3 -2,-0.1 -31,-0.3 -0.541 19.5-110.3-155.1-151.3 18.9 41.5 -2.1 73 73 A T - 0 0 19 -2,-0.2 -8,-2.7 -33,-0.1 2,-0.1 -0.803 24.5-166.2-162.0 113.8 21.7 39.3 -0.7 74 74 A S E +V 64 0E 70 -10,-0.3 -10,-0.3 -2,-0.3 2,-0.2 -0.176 7.0 178.5 -88.8-161.6 22.0 35.5 -0.9 75 75 A V E -V 63 0E 9 -12,-0.9 -12,-1.4 -2,-0.1 2,-0.3 -0.846 7.7-161.3 174.4 156.6 24.3 33.1 1.0 76 76 A S E -V 62 0E 40 -2,-0.2 2,-0.4 -14,-0.2 -14,-0.2 -0.968 3.1-165.7-156.9 147.7 24.8 29.4 1.1 77 77 A Y E -V 61 0E 65 -16,-1.3 -16,-2.2 -2,-0.3 2,-0.9 -0.916 18.8-140.0-144.8 115.6 26.4 26.9 3.5 78 78 A D + 0 0 89 -2,-0.4 2,-0.3 -18,-0.3 -18,-0.3 -0.560 52.1 138.9 -63.0 99.4 27.3 23.3 2.8 79 79 A V - 0 0 29 -2,-0.9 -19,-0.2 1,-0.2 -2,-0.1 -0.994 56.0-141.3-148.9 162.0 26.3 21.7 6.0 80 80 A D - 0 0 62 -2,-0.3 2,-0.2 -21,-0.1 -1,-0.2 0.897 18.8-168.7 -91.5 -44.3 24.6 18.6 7.4 81 81 A L S > S+ 0 0 6 1,-0.1 4,-2.8 -22,-0.1 -1,-0.1 0.063 76.2 88.1 79.4 -32.9 22.6 20.2 10.3 82 82 A N T 4 S+ 0 0 93 2,-0.2 -1,-0.1 1,-0.2 5,-0.1 0.569 93.4 46.5 -72.2 -8.5 22.0 16.6 11.4 83 83 A D T 4 S+ 0 0 133 3,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.778 112.4 46.2 -85.8 -54.6 25.2 17.4 13.1 84 84 A V T 4 S+ 0 0 17 2,-0.0 -2,-0.2 -81,-0.0 -80,-0.1 0.777 115.3 44.9 -66.9 -26.3 24.2 20.8 14.5 85 85 A L S < S- 0 0 16 -4,-2.8 2,-0.2 96,-0.1 4,-0.1 -0.724 73.2-121.6-128.5 175.2 20.9 19.7 15.8 86 86 A P - 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