==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN (AGGLUTININ) 01-APR-75 2CNA . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR G.N.REEKEJUNIOR,J.W.BECKER,G.M.EDELMAN . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 61.6 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 . 93 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.1 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+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 1 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 3 0 1 3 2 2 1 1 1 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 2 0 0 0 0 0 0 0 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 0 119 0, 0.0 2,-0.1 0, 0.0 217,-0.0 0.000 360.0 360.0 360.0 -7.4 44.2 25.7 28.2 2 2 A D + 0 0 84 217,-0.1 2,-0.4 213,-0.0 213,-0.0 -0.535 360.0 147.3-159.3 79.5 47.6 25.9 26.5 3 3 A T - 0 0 45 -2,-0.1 213,-0.6 230,-0.0 2,-0.3 -0.920 19.1-176.9-122.8 147.7 47.5 24.2 23.1 4 4 A I E -A 215 0A 10 -2,-0.4 26,-1.8 211,-0.2 2,-0.5 -0.995 28.0-151.9-151.0 152.8 49.4 24.9 19.9 5 5 A V E -AB 214 29A 2 209,-3.5 209,-4.3 -2,-0.3 2,-0.3 -0.961 33.2-173.1-116.4 133.3 50.0 24.2 16.2 6 6 A A E -AB 213 28A 0 22,-2.2 22,-2.3 -2,-0.5 2,-0.6 -0.971 29.4-154.6-135.0 148.7 53.5 25.1 15.1 7 7 A V E -AB 212 27A 9 205,-3.3 205,-3.7 -2,-0.3 2,-0.4 -0.987 37.5-163.0-118.1 113.1 55.6 25.3 11.9 8 8 A E E -AB 211 26A 5 18,-1.5 18,-0.8 -2,-0.6 2,-0.8 -0.829 26.7-147.2-113.0 145.3 59.1 24.9 13.1 9 9 A L E -AB 210 25A 3 201,-3.9 201,-1.5 -2,-0.4 2,-0.7 -0.888 23.7-162.5-104.9 106.2 62.7 25.6 11.8 10 10 A D E +AB 209 24A 3 14,-2.0 14,-1.4 -2,-0.8 199,-0.3 -0.802 26.5 157.6 -98.1 109.1 65.0 22.9 13.3 11 11 A T + 0 0 6 197,-3.8 198,-0.2 -2,-0.7 -1,-0.2 0.895 69.2 56.1 -89.6 -50.7 68.7 23.6 13.2 12 12 A Y S S- 0 0 65 196,-1.1 2,-0.6 193,-0.1 -1,-0.2 -0.645 80.6-145.5 -91.2 85.5 69.8 21.4 16.0 13 13 A P - 0 0 27 0, 0.0 2,-1.5 0, 0.0 3,-0.1 -0.271 8.5-163.3 -53.6 98.1 68.7 17.8 15.4 14 14 A N >>> - 0 0 13 -2,-0.6 3,-2.7 1,-0.2 4,-0.9 -0.640 3.4-171.5 -85.1 87.2 67.9 16.1 18.6 15 15 A T T 345S+ 0 0 91 -2,-1.5 -1,-0.2 1,-0.3 6,-0.0 0.856 77.8 73.2 -44.1 -44.1 67.9 12.4 17.6 16 16 A D T 345S+ 0 0 119 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.602 101.9 42.5 -49.4 -14.6 66.5 11.5 21.0 17 17 A I T <45S- 0 0 30 -3,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.870 121.1 -89.8 -99.3 -53.4 63.1 12.9 19.9 18 18 A G T <5S+ 0 0 60 -4,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.375 74.5 136.2 149.7 11.0 62.4 11.8 16.4 19 19 A D < - 0 0 15 -5,-0.8 -1,-0.2 1,-0.1 -2,-0.1 -0.584 60.1-104.6 -82.5 145.3 63.9 14.5 14.2 20 20 A P - 0 0 26 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.269 43.0 -89.9 -51.5-168.1 65.9 13.3 11.1 21 21 A S S S+ 0 0 96 2,-0.1 -6,-0.1 -7,-0.1 3,-0.0 0.342 103.4 31.9 -95.1 6.3 69.7 13.5 11.2 22 22 A Y S S- 0 0 83 -10,-0.1 19,-0.1 1,-0.0 -10,-0.0 -0.821 110.9 -46.9-145.9-179.9 70.3 17.0 9.8 23 23 A P + 0 0 32 0, 0.0 17,-0.9 0, 0.0 2,-0.3 -0.286 68.7 173.3 -58.0 135.8 68.3 20.3 9.9 24 24 A H E -BC 10 39A 0 -14,-1.4 -14,-2.0 15,-0.2 2,-0.3 -0.971 28.2-143.3-147.9 162.5 64.7 19.8 9.1 25 25 A I E +BC 9 38A 1 13,-2.3 13,-1.0 -2,-0.3 2,-0.3 -0.887 33.6 131.4-123.6 154.5 61.2 21.4 8.9 26 26 A G E -BC 8 37A 0 -18,-0.8 -18,-1.5 -2,-0.3 2,-0.5 -0.985 49.7 -73.0 178.5 177.2 57.8 20.0 9.7 27 27 A I E -BC 7 36A 0 9,-0.7 8,-4.4 -2,-0.3 9,-0.7 -0.803 30.3-162.5 -99.8 131.6 54.4 20.3 11.4 28 28 A D E -B 6 0A 0 -22,-2.3 -22,-2.2 -2,-0.5 2,-0.6 -0.946 6.2-176.2-113.7 121.3 53.9 19.9 15.2 29 29 A I E S-B 5 0A 16 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.939 75.9 -25.1-120.0 107.2 50.4 19.3 16.4 30 30 A K S S+ 0 0 145 -26,-1.8 2,-0.3 -2,-0.6 -25,-0.1 0.075 127.6 35.7 81.4 -25.6 50.2 19.2 20.2 31 31 A S S S- 0 0 17 2,-0.1 -25,-0.1 202,-0.1 206,-0.1 -0.921 87.4 -95.1-151.9 177.0 53.8 18.3 20.8 32 32 A V S S+ 0 0 8 204,-0.6 2,-3.1 -2,-0.3 205,-0.1 0.875 97.5 95.3 -62.1 -36.1 57.5 18.4 19.9 33 33 A R S S- 0 0 89 -5,-0.1 -4,-0.3 -4,-0.1 -1,-0.2 -0.253 77.0-149.6 -58.1 70.9 56.8 15.2 18.0 34 34 A S - 0 0 25 -2,-3.1 -6,-0.3 -6,-0.2 -2,-0.1 -0.068 4.6-143.1 -43.5 140.0 56.3 16.9 14.6 35 35 A K S S+ 0 0 102 -8,-4.4 2,-0.4 1,-0.1 -7,-0.1 0.808 81.4 26.7 -79.7 -32.5 53.9 15.0 12.4 36 36 A K E S-C 27 0A 88 -9,-0.7 -9,-0.7 41,-0.1 2,-0.3 -0.959 72.1-168.7-131.1 147.9 55.6 15.6 9.1 37 37 A T E +C 26 0A 61 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.888 7.5 176.6-135.0 164.9 59.3 16.3 8.4 38 38 A A E -C 25 0A 21 -13,-1.0 -13,-2.3 -2,-0.3 2,-0.6 -0.972 30.0-107.7-165.5 153.8 61.5 17.4 5.5 39 39 A K E -C 24 0A 106 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.806 30.2-177.7 -99.4 114.6 65.1 18.3 4.8 40 40 A W - 0 0 3 -17,-0.9 2,-1.5 -2,-0.6 32,-0.1 -0.880 29.2-121.3-110.5 137.8 66.3 21.8 4.2 41 41 A N - 0 0 102 -2,-0.4 -17,-0.1 30,-0.3 -2,-0.0 -0.548 30.9-138.3 -79.8 83.9 69.8 23.0 3.3 42 42 A M - 0 0 47 -2,-1.5 2,-0.4 1,-0.1 -1,-0.0 0.062 15.3-166.8 -39.7 138.7 71.0 25.4 6.0 43 43 A Q > - 0 0 58 3,-0.1 3,-1.9 156,-0.1 156,-0.2 -0.811 17.9-146.6-133.2 88.0 72.9 28.5 5.0 44 44 A D T 3 S+ 0 0 73 -2,-0.4 156,-0.2 1,-0.3 3,-0.1 -0.316 81.7 10.0 -60.0 132.8 74.4 30.0 8.1 45 45 A G T 3 S+ 0 0 22 154,-2.4 -1,-0.3 1,-0.3 2,-0.3 0.525 106.0 119.2 75.7 5.6 74.6 33.8 8.1 46 46 A K S < S- 0 0 122 -3,-1.9 153,-0.6 153,-0.4 2,-0.4 -0.690 70.8-101.5-103.7 157.1 72.5 33.9 5.0 47 47 A V E -H 198 0B 64 -2,-0.3 2,-0.2 151,-0.1 151,-0.2 -0.622 44.4-177.6 -81.2 128.9 69.1 35.5 4.5 48 48 A G E -H 197 0B 0 149,-2.6 149,-1.4 -2,-0.4 2,-0.3 -0.695 16.3-155.4-122.0 174.1 66.0 33.2 4.5 49 49 A T E -HI 196 66B 43 17,-1.6 17,-2.3 147,-0.3 147,-0.3 -0.848 5.1-158.5-158.0 118.2 62.2 33.2 4.1 50 50 A A E -HI 195 65B 3 145,-4.4 145,-2.4 -2,-0.3 2,-0.3 -0.616 7.2-169.8 -97.2 154.0 59.4 31.0 5.3 51 51 A H E -HI 194 64B 69 13,-1.0 13,-2.1 143,-0.3 2,-0.3 -0.977 4.2-179.8-140.2 152.4 55.8 30.5 4.1 52 52 A I E +HI 193 63B 2 141,-2.5 141,-1.2 -2,-0.3 2,-0.3 -0.814 3.0 173.2-162.6 119.9 52.7 28.8 5.2 53 53 A I E +HI 192 62B 88 9,-1.6 9,-2.0 -2,-0.3 2,-0.3 -0.870 6.8 141.2-129.4 160.2 49.1 28.2 4.1 54 54 A Y E -H 191 0B 21 137,-1.5 137,-2.1 -2,-0.3 2,-0.3 -0.993 10.9-178.4-175.5 171.4 45.8 26.4 4.8 55 55 A N E > -H 190 0B 45 -2,-0.3 4,-5.2 135,-0.2 5,-0.4 -0.960 38.0-104.7-176.5 159.8 42.0 26.3 4.9 56 56 A S T 4 S+ 0 0 21 133,-0.6 -1,-0.1 -2,-0.3 132,-0.1 0.894 108.4 63.1 -61.2 -47.6 38.9 24.3 5.7 57 57 A V T 4 S+ 0 0 106 132,-0.3 -1,-0.2 1,-0.2 131,-0.0 0.952 131.0 12.4 -41.0 -68.2 37.7 23.2 2.2 58 58 A D T 4 S- 0 0 111 2,-0.1 -2,-0.2 20,-0.0 -1,-0.2 0.792 85.5-159.8 -80.9 -32.0 41.0 21.4 2.1 59 59 A K < + 0 0 79 -4,-5.2 20,-1.4 1,-0.2 2,-0.5 0.874 36.8 144.1 49.8 48.4 42.3 21.5 5.6 60 60 A R E - J 0 78B 128 -5,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.898 45.6-141.3-124.7 106.3 46.0 20.8 4.8 61 61 A L E + J 0 77B 2 16,-2.2 16,-3.2 -2,-0.5 2,-0.4 -0.473 32.9 178.8 -66.1 105.7 48.8 22.4 6.7 62 62 A S E -IJ 53 76B 18 -9,-2.0 -9,-1.6 -2,-0.7 2,-0.3 -0.900 10.8-171.1-119.3 142.8 51.5 23.3 4.2 63 63 A A E -IJ 52 75B 1 12,-3.1 12,-1.4 -2,-0.4 2,-0.4 -0.949 13.9-170.5-134.7 151.5 54.9 24.9 4.3 64 64 A V E -IJ 51 74B 50 -13,-2.1 -13,-1.0 -2,-0.3 2,-0.8 -0.894 3.0-174.7-139.9 108.4 57.8 26.3 2.2 65 65 A V E -IJ 50 73B 3 8,-2.9 8,-1.3 -2,-0.4 -15,-0.2 -0.883 21.9-175.2-104.2 107.5 61.1 27.4 3.6 66 66 A S E -I 49 0B 33 -17,-2.3 -17,-1.6 -2,-0.8 5,-0.1 -0.607 18.9-163.8-105.0 163.9 63.2 28.9 0.8 67 67 A Y - 0 0 13 3,-0.5 2,-0.2 -2,-0.2 -19,-0.1 -0.989 37.7 -96.1-142.1 143.0 66.7 30.3 0.4 68 68 A P S S- 0 0 74 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.420 106.7 -3.2 -66.3 126.7 68.0 32.5 -2.4 69 69 A N S S+ 0 0 183 1,-0.3 2,-0.1 -2,-0.2 0, 0.0 -0.029 119.5 102.0 82.5 -33.1 69.6 30.7 -5.3 70 70 A A S S- 0 0 27 1,-0.1 -3,-0.5 -29,-0.0 -1,-0.3 -0.403 79.7-101.2 -80.6 158.8 69.1 27.6 -3.2 71 71 A D - 0 0 142 -3,-0.1 -30,-0.3 -5,-0.1 -1,-0.1 -0.484 39.4 -92.0 -84.7 150.8 66.3 25.1 -3.8 72 72 A A - 0 0 75 -2,-0.2 2,-0.5 -6,-0.1 -6,-0.2 -0.254 25.6-161.6 -66.6 140.7 62.9 24.8 -2.0 73 73 A T E +J 65 0B 10 -8,-1.3 -8,-2.9 -2,-0.1 2,-0.3 -0.975 20.6 169.5-121.8 121.2 62.0 22.7 1.0 74 74 A S E -J 64 0B 70 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.885 15.6-174.7-131.6 162.0 58.4 22.0 1.8 75 75 A V E -J 63 0B 1 -12,-1.4 -12,-3.1 -2,-0.3 2,-0.4 -0.987 6.1-163.0-152.7 148.3 56.2 19.8 4.0 76 76 A S E -J 62 0B 19 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.3 -0.978 4.5-175.2-143.6 128.6 52.4 19.2 4.2 77 77 A Y E -J 61 0B 79 -16,-3.2 -16,-2.2 -2,-0.4 2,-0.7 -0.963 22.8-131.7-125.8 138.9 50.2 17.6 6.9 78 78 A D E +J 60 0B 116 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.771 45.4 145.5 -90.1 116.4 46.5 16.9 6.9 79 79 A V - 0 0 19 -20,-1.4 2,-0.9 -2,-0.7 3,-0.2 -0.995 50.0-124.1-151.1 155.2 44.8 18.1 10.1 80 80 A D > + 0 0 52 -2,-0.3 4,-1.3 1,-0.2 3,-0.4 -0.781 24.4 173.5-103.4 90.8 41.5 19.6 11.4 81 81 A L H > S+ 0 0 4 -2,-0.9 4,-2.3 1,-0.3 -1,-0.2 0.851 82.4 67.7 -62.2 -32.1 42.4 22.9 13.1 82 82 A N H 4 S+ 0 0 59 1,-0.3 -1,-0.3 2,-0.2 100,-0.1 0.948 107.3 39.2 -51.0 -48.6 38.6 23.3 13.4 83 83 A D H 4 S+ 0 0 123 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.2 0.719 127.6 34.2 -73.8 -23.0 39.0 20.3 15.8 84 84 A V H < S+ 0 0 42 -4,-1.3 -2,-0.2 2,-0.1 -3,-0.2 0.887 100.3 65.9 -99.4 -50.1 42.2 21.6 17.4 85 85 A L S < S- 0 0 12 -4,-2.3 2,-0.1 1,-0.1 4,-0.1 -0.394 86.5 -99.9 -79.1 155.4 42.5 25.4 17.7 86 86 A P - 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