==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN BINDING 20-DEC-00 1HQW . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR Z.ZHANG,M.QIAN,Q.HUANG,Y.JIA,Y.TANG,K.WANG,D.CUI,M.LI . 240 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.8 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 . 100 41.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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-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 . 26 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 1 3 0 1 3 3 0 2 1 0 0 0 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 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 0 142 0, 0.0 2,-0.3 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0-135.5 29.2 20.4 2.3 2 2 A D - 0 0 51 218,-0.1 2,-0.8 230,-0.1 213,-0.0 -0.566 360.0-135.7 -75.8 128.4 26.2 18.2 3.3 3 3 A T - 0 0 40 -2,-0.3 2,-0.4 2,-0.0 213,-0.4 -0.809 32.6-169.9 -84.9 112.4 22.9 19.5 1.9 4 4 A I + 0 0 3 -2,-0.8 26,-2.9 211,-0.2 2,-0.4 -0.916 25.2 169.0-117.0 134.9 20.6 19.3 4.8 5 5 A V E +AB 29 214A 2 209,-1.5 209,-2.1 -2,-0.4 2,-0.3 -0.988 25.7 163.4-134.6 120.3 16.8 19.7 5.0 6 6 A A E -AB 28 213A 2 22,-2.6 22,-2.8 -2,-0.4 2,-0.6 -0.985 41.4-139.7-146.5 155.7 15.3 18.6 8.4 7 7 A V E -AB 27 212A 2 205,-2.2 205,-2.3 -2,-0.3 2,-0.4 -0.983 34.7-155.0-111.6 112.0 12.3 18.8 10.7 8 8 A E E -AB 26 211A 0 18,-2.4 18,-1.7 -2,-0.6 2,-0.9 -0.756 21.6-156.8 -95.4 139.5 13.7 19.2 14.2 9 9 A L E -AB 25 210A 0 201,-3.9 201,-2.0 -2,-0.4 2,-0.9 -0.905 29.6-166.7-108.9 85.8 11.9 18.2 17.4 10 10 A D E +AB 24 209A 2 14,-2.3 14,-2.4 -2,-0.9 199,-0.2 -0.770 19.4 177.6 -86.9 107.6 13.9 20.7 19.5 11 11 A T + 0 0 5 -2,-0.9 198,-0.2 197,-0.7 -1,-0.1 0.665 65.1 59.6 -82.5 -19.8 13.6 20.1 23.2 12 12 A Y S S- 0 0 56 196,-1.0 2,-0.8 12,-0.1 -1,-0.1 -0.959 75.5-137.0-121.3 124.0 16.0 22.8 24.4 13 13 A P - 0 0 40 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.655 18.1-178.4 -79.2 104.3 15.6 26.6 23.6 14 14 A N > > - 0 0 8 -2,-0.8 5,-1.8 1,-0.2 3,-1.7 -0.793 6.2-178.8-103.3 81.4 19.0 28.1 22.7 15 15 A T G > 5S+ 0 0 21 -2,-1.0 3,-2.0 1,-0.3 -1,-0.2 0.816 73.0 67.4 -53.8 -34.7 17.7 31.6 22.3 16 16 A D G 3 5S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.787 104.7 44.1 -60.1 -25.7 21.1 33.0 21.3 17 17 A I G < 5S- 0 0 6 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.122 132.5 -86.0-105.7 19.7 20.8 31.0 18.0 18 18 A G T < 5S+ 0 0 57 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.382 79.1 142.6 98.6 -7.7 17.2 31.8 17.3 19 19 A D < - 0 0 7 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.465 51.5-122.0 -67.7 136.1 15.3 29.2 19.2 20 20 A P - 0 0 24 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.197 38.1 -88.0 -68.7 176.8 12.1 30.6 20.8 21 21 A S S S+ 0 0 39 -7,-0.1 -2,-0.0 -6,-0.1 3,-0.0 0.080 102.5 43.4 -78.9 31.6 11.8 30.4 24.6 22 22 A Y S S- 0 0 82 -2,-0.4 -10,-0.1 219,-0.1 19,-0.1 -0.971 98.5 -68.1-163.5 166.7 10.2 26.9 24.7 23 23 A P + 0 0 39 0, 0.0 17,-2.4 0, 0.0 2,-0.3 -0.317 66.2 161.1 -58.3 148.8 10.3 23.3 23.2 24 24 A H E -AC 10 39A 0 -14,-2.4 -14,-2.3 15,-0.3 2,-0.3 -0.998 42.3-118.1-166.7 166.9 9.3 23.4 19.6 25 25 A I E +AC 9 38A 0 13,-2.2 13,-2.0 -2,-0.3 2,-0.3 -0.824 37.7 177.7-110.3 144.6 9.2 21.9 16.1 26 26 A G E -AC 8 37A 0 -18,-1.7 -18,-2.4 -2,-0.3 2,-0.7 -0.999 32.7-125.1-152.3 153.5 10.9 23.6 13.2 27 27 A I E -AC 7 36A 0 9,-2.6 8,-3.1 -2,-0.3 9,-0.9 -0.872 29.1-166.4-101.6 110.5 11.7 23.4 9.6 28 28 A D E -A 6 0A 0 -22,-2.8 -22,-2.6 -2,-0.7 2,-0.6 -0.889 8.3-171.7-101.0 122.9 15.5 23.8 9.0 29 29 A I E S-A 5 0A 8 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.942 78.3 -36.9-116.1 103.0 16.7 24.4 5.4 30 30 A K S S+ 0 0 125 -26,-2.9 2,-0.3 -2,-0.6 -25,-0.1 0.322 128.8 71.4 66.3 -7.7 20.5 24.2 5.4 31 31 A S S S- 0 0 12 -27,-0.1 -2,-0.2 2,-0.1 4,-0.2 -0.987 76.7-132.8-141.7 150.3 20.7 25.9 8.8 32 32 A V S S+ 0 0 0 203,-0.4 2,-1.6 -2,-0.3 204,-0.1 0.634 91.1 92.2 -71.0 -14.4 20.0 25.1 12.5 33 33 A R S S- 0 0 98 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.671 90.6-126.8 -84.5 87.5 18.2 28.4 12.6 34 34 A S - 0 0 28 -2,-1.6 -6,-0.3 1,-0.2 3,-0.2 0.035 9.5-146.6 -35.5 135.3 14.7 27.2 11.7 35 35 A K S S+ 0 0 90 -8,-3.1 2,-0.3 1,-0.3 -7,-0.2 0.729 89.2 9.2 -77.7 -23.2 13.1 28.9 8.8 36 36 A K E S-C 27 0A 103 -9,-0.9 -9,-2.6 41,-0.1 -1,-0.3 -0.958 73.6-173.1-157.9 136.4 9.8 28.4 10.6 37 37 A T E -C 26 0A 57 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.864 9.5-164.1-131.5 165.7 8.8 27.1 14.1 38 38 A A E -C 25 0A 21 -13,-2.0 -13,-2.2 -2,-0.3 37,-0.1 -0.981 35.7-101.9-148.9 137.2 5.8 26.2 16.2 39 39 A K E -C 24 0A 114 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.3 -0.356 35.8-156.9 -60.6 138.3 5.5 25.8 19.9 40 40 A W - 0 0 5 -17,-2.4 2,-2.0 -30,-0.1 32,-0.1 -0.973 13.9-147.7-126.0 116.7 5.5 22.1 21.0 41 41 A N - 0 0 117 -2,-0.5 -17,-0.1 30,-0.2 -2,-0.0 -0.602 31.0-161.9 -81.0 78.5 4.0 21.0 24.3 42 42 A M - 0 0 36 -2,-2.0 2,-0.5 1,-0.1 25,-0.0 -0.311 9.6-148.1 -63.9 146.7 6.5 18.2 24.8 43 43 A Q > - 0 0 65 3,-0.2 3,-2.0 156,-0.0 156,-0.2 -0.902 13.5-136.7-124.4 101.3 5.7 15.4 27.3 44 44 A N T 3 S+ 0 0 61 -2,-0.5 156,-0.2 1,-0.3 3,-0.1 -0.305 88.7 12.1 -56.3 125.6 8.7 13.9 29.0 45 45 A G T 3 S+ 0 0 33 154,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.461 101.1 116.1 84.9 1.1 8.4 10.1 29.2 46 46 A K < - 0 0 106 -3,-2.0 153,-0.7 153,-0.5 2,-0.5 -0.820 68.2-118.1-106.7 145.1 5.6 9.8 26.7 47 47 A V E -H 198 0B 63 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.686 39.4-172.2 -79.8 123.3 5.6 8.1 23.3 48 48 A G E -H 197 0B 0 149,-2.2 149,-1.8 -2,-0.5 2,-0.4 -0.684 16.5-139.0-113.2 173.9 4.9 10.6 20.6 49 49 A T E -HI 196 66B 38 17,-2.4 17,-2.4 147,-0.2 2,-0.4 -0.997 10.4-163.9-136.6 131.0 4.3 10.5 16.8 50 50 A A E -HI 195 65B 2 145,-2.4 145,-1.7 -2,-0.4 2,-0.5 -0.946 1.3-164.3-117.6 135.7 5.6 12.8 14.1 51 51 A H E -HI 194 64B 73 13,-2.5 13,-2.1 -2,-0.4 2,-0.4 -0.983 5.3-174.3-119.9 120.7 4.2 13.1 10.6 52 52 A I E +HI 193 63B 1 141,-2.9 141,-2.4 -2,-0.5 2,-0.3 -0.958 10.8 177.1-115.0 132.4 6.3 14.8 7.8 53 53 A I E +HI 192 62B 83 9,-2.5 9,-2.3 -2,-0.4 2,-0.3 -0.971 9.2 162.5-137.4 153.1 4.7 15.4 4.4 54 54 A Y E -H 191 0B 15 137,-1.3 137,-2.1 -2,-0.3 2,-0.3 -0.923 8.9-175.4-167.4 139.5 5.6 17.0 1.1 55 55 A N E >> -H 190 0B 44 5,-0.4 4,-2.0 -2,-0.3 5,-0.6 -0.984 31.3-127.1-139.2 148.6 4.5 17.0 -2.5 56 56 A S T 45S+ 0 0 22 133,-3.4 134,-0.1 -2,-0.3 26,-0.1 0.588 104.3 58.3 -68.6 -17.0 5.9 18.7 -5.6 57 57 A V T 45S+ 0 0 94 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.958 117.3 27.9 -78.9 -55.4 2.6 20.3 -6.6 58 58 A D T 45S- 0 0 106 2,-0.1 -2,-0.2 20,-0.0 -1,-0.1 0.763 91.7-150.1 -75.5 -29.7 1.9 22.3 -3.4 59 59 A K T <5 + 0 0 84 -4,-2.0 20,-1.2 1,-0.2 2,-0.4 0.931 47.1 132.3 56.6 54.6 5.6 22.6 -2.6 60 60 A R E < - J 0 78B 123 -5,-0.6 2,-0.6 18,-0.3 -5,-0.4 -0.988 48.0-150.1-140.8 123.0 5.1 22.8 1.2 61 61 A L E + J 0 77B 3 16,-2.9 16,-2.0 -2,-0.4 2,-0.3 -0.859 29.0 176.4 -92.5 118.5 7.0 20.8 3.8 62 62 A S E -IJ 53 76B 18 -9,-2.3 -9,-2.5 -2,-0.6 2,-0.3 -0.905 14.8-168.7-125.0 156.0 4.7 20.2 6.8 63 63 A A E -IJ 52 75B 2 12,-2.0 12,-1.7 -2,-0.3 2,-0.4 -0.991 5.5-164.8-143.0 146.1 5.0 18.3 10.0 64 64 A V E -IJ 51 74B 44 -13,-2.1 -13,-2.5 -2,-0.3 2,-0.5 -0.974 7.3-173.3-136.6 117.0 2.5 17.3 12.7 65 65 A V E +IJ 50 73B 1 8,-2.5 8,-2.6 -2,-0.4 2,-0.3 -0.963 16.5 159.2-113.8 125.1 3.7 16.2 16.1 66 66 A S E -I 49 0B 26 -17,-2.4 -17,-2.4 -2,-0.5 6,-0.1 -0.876 27.7-150.3-139.4 169.1 1.2 14.8 18.6 67 67 A Y > - 0 0 10 -2,-0.3 3,-1.6 -19,-0.2 -19,-0.1 -0.935 46.5 -81.7-134.2 154.1 1.0 12.6 21.8 68 68 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -21,-0.0 -0.360 114.3 9.6 -62.1 136.5 -2.0 10.5 22.7 69 69 A N T 3 S+ 0 0 180 1,-0.2 2,-0.3 -2,-0.0 -3,-0.0 0.560 113.3 94.9 72.2 12.4 -4.8 12.5 24.4 70 70 A A S < S- 0 0 43 -3,-1.6 -1,-0.2 1,-0.0 -3,-0.2 -0.834 80.0 -96.7-129.7 164.1 -3.2 15.9 23.6 71 71 A D - 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