==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 24-MAY-99 1QDO . COMPND 2 MOLECULE: PROTEIN (CONCANAVALIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.BOUCKAERT,R.LORIS,L.WYNS . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 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 . 403 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 98 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 6.6 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 0.8 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 . 8 9 2 4 10 9 8 5 4 0 2 2 0 0 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 3 0 0 0 0 0 0 0 1 1 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 0 146 0, 0.0 2,-0.2 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 154.2 21.9 -4.1 3.1 2 2 A D - 0 0 52 230,-0.1 2,-0.6 218,-0.1 213,-0.0 -0.538 360.0-136.1 -90.5 155.9 20.3 -4.3 6.6 3 3 A T - 0 0 44 -2,-0.2 213,-0.5 2,-0.0 2,-0.4 -0.950 35.0-171.9-106.5 114.4 21.4 -2.7 9.9 4 4 A I + 0 0 4 -2,-0.6 26,-2.6 211,-0.2 2,-0.4 -0.934 24.8 177.7-123.4 140.8 21.0 -5.4 12.6 5 5 A V E +AB 29 214A 3 209,-1.9 209,-2.1 -2,-0.4 2,-0.3 -0.998 26.5 166.3-129.4 128.3 21.2 -5.5 16.4 6 6 A A E -AB 28 213A 1 22,-2.3 22,-2.3 -2,-0.4 2,-0.6 -0.984 40.0-144.4-149.6 161.0 20.5 -8.9 18.1 7 7 A V E -AB 27 212A 3 205,-2.1 205,-1.5 -2,-0.3 2,-0.2 -0.955 33.4-156.9-122.0 105.4 20.5 -11.1 21.1 8 8 A E E -AB 26 211A 0 18,-1.5 18,-1.5 -2,-0.6 2,-0.3 -0.579 22.8-156.9 -89.9 148.9 21.1 -14.6 20.1 9 9 A L E -AB 25 210A 1 201,-2.9 201,-0.9 -2,-0.2 2,-0.8 -0.671 29.5-168.1-116.6 65.5 20.3 -17.7 22.0 10 10 A D E +AB 24 209A 5 14,-0.8 14,-2.1 -2,-0.3 199,-0.2 -0.480 17.5 173.3 -63.9 100.5 22.9 -19.6 20.0 11 11 A T + 0 0 3 -2,-0.8 198,-0.2 197,-0.7 -1,-0.2 0.686 63.0 60.6 -86.0 -21.4 22.4 -23.3 20.8 12 12 A Y S S- 0 0 68 196,-1.0 2,-0.5 10,-0.1 -1,-0.1 -0.949 80.6-133.6-115.8 120.0 24.9 -24.7 18.3 13 13 A P - 0 0 39 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.562 17.2-171.3 -73.5 113.3 28.6 -23.8 18.6 14 14 A N >>> + 0 0 19 -2,-0.5 3,-1.9 1,-0.2 5,-1.5 -0.737 5.6 179.2-107.1 80.5 30.2 -22.7 15.3 15 15 A T G >45S+ 0 0 102 -2,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.766 74.7 69.0 -53.7 -28.4 33.9 -22.5 16.2 16 16 A D G 345S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.777 110.0 33.2 -59.3 -34.9 34.8 -21.6 12.6 17 17 A I G <45S- 0 0 5 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.360 129.5 -81.2-106.2 -1.1 33.1 -18.2 13.0 18 18 A G T <<5S+ 0 0 46 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.209 74.3 146.8 122.3 -19.7 33.7 -17.3 16.7 19 19 A D < - 0 0 6 -5,-1.5 -1,-0.3 1,-0.1 -2,-0.1 -0.337 51.9-121.3 -53.9 115.0 31.1 -19.3 18.6 20 20 A P - 0 0 30 0, 0.0 2,-3.1 0, 0.0 -6,-0.1 -0.305 38.9 -88.5 -60.5 145.4 32.7 -20.3 21.9 21 21 A S S S+ 0 0 101 -8,-0.1 -2,-0.1 -6,-0.1 -6,-0.0 0.145 105.1 45.7 -44.7 23.6 32.7 -24.1 22.5 22 22 A Y S S- 0 0 86 -2,-3.1 -8,-0.1 -10,-0.1 -10,-0.1 -0.983 99.5 -72.7-163.9 159.4 29.3 -24.2 24.1 23 23 A P + 0 0 35 0, 0.0 17,-2.0 0, 0.0 2,-0.3 -0.341 64.3 161.5 -55.1 139.8 25.7 -22.9 23.9 24 24 A H E -AC 10 39A 0 -14,-2.1 -14,-0.8 15,-0.2 2,-0.4 -0.953 40.0-121.6-156.8 170.7 25.7 -19.2 24.7 25 25 A I E +AC 9 38A 0 13,-1.7 13,-0.9 -2,-0.3 2,-0.3 -0.946 39.0 177.2-121.9 137.4 23.7 -16.0 24.5 26 26 A G E -AC 8 37A 0 -18,-1.5 -18,-1.5 -2,-0.4 2,-0.6 -0.912 34.1-116.9-142.8 170.9 25.3 -13.0 22.8 27 27 A I E -A 7 0A 0 9,-2.1 8,-2.2 -2,-0.3 2,-0.6 -0.905 27.9-163.9-114.2 103.8 25.1 -9.5 21.6 28 28 A D E -A 6 0A 0 -22,-2.3 -22,-2.3 -2,-0.6 2,-0.7 -0.762 7.2-174.2 -90.2 116.8 25.4 -9.1 17.8 29 29 A I E S-A 5 0A 16 -2,-0.6 -24,-0.2 4,-0.4 4,-0.1 -0.896 79.1 -39.0-114.2 97.1 26.1 -5.6 16.5 30 30 A K S S+ 0 0 125 -26,-2.6 2,-0.3 -2,-0.7 -25,-0.1 0.417 128.4 71.3 66.8 6.3 26.0 -5.8 12.7 31 31 A S S S- 0 0 19 2,-0.1 4,-0.2 -27,-0.1 -2,-0.1 -0.984 78.3-129.3-150.4 152.7 27.7 -9.2 12.7 32 32 A V S S+ 0 0 1 -2,-0.3 2,-1.0 -4,-0.1 -15,-0.1 0.519 94.0 90.6 -74.4 -14.3 27.0 -12.9 13.6 33 33 A R S S- 0 0 108 -4,-0.1 -4,-0.4 -15,-0.0 2,-0.2 -0.846 89.1-130.4 -84.9 104.6 30.3 -12.6 15.5 34 34 A S - 0 0 27 -2,-1.0 -6,-0.3 -6,-0.1 3,-0.1 -0.413 5.9-143.4 -64.7 128.1 28.9 -11.5 18.9 35 35 A K S S+ 0 0 114 -8,-2.2 2,-0.3 1,-0.2 -1,-0.1 0.671 90.0 9.2 -62.5 -21.5 30.6 -8.5 20.5 36 36 A K S S- 0 0 108 -9,-0.5 -9,-2.1 41,-0.1 2,-0.3 -0.963 72.9-173.9-159.4 142.7 30.1 -10.2 23.9 37 37 A T E -C 26 0A 51 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.820 8.5-159.6-133.8 176.4 29.0 -13.6 25.0 38 38 A A E -C 25 0A 20 -13,-0.9 -13,-1.7 -2,-0.3 35,-0.1 -0.923 34.2-101.8-160.1 132.6 28.1 -15.7 28.1 39 39 A K E -C 24 0A 124 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.246 40.5-161.5 -55.7 141.3 27.9 -19.4 28.8 40 40 A W - 0 0 8 -17,-2.0 2,-1.2 -30,-0.1 32,-0.1 -0.998 20.7-138.7-130.7 133.5 24.3 -20.5 28.7 41 41 A N - 0 0 113 -2,-0.4 -17,-0.1 30,-0.2 -2,-0.0 -0.449 28.3-159.7 -90.4 63.2 22.9 -23.8 30.2 42 42 A M - 0 0 37 -2,-1.2 2,-0.7 1,-0.1 -2,-0.0 -0.133 2.0-154.5 -45.1 110.6 20.6 -24.6 27.3 43 43 A Q > - 0 0 63 3,-0.1 3,-1.1 157,-0.0 2,-0.5 -0.875 7.1-142.2 -98.9 115.1 18.0 -27.0 28.7 44 44 A N T 3 S+ 0 0 79 -2,-0.7 156,-0.2 1,-0.2 3,-0.1 -0.633 83.9 18.0 -76.4 120.0 16.5 -29.2 26.0 45 45 A G T 3 S+ 0 0 48 154,-1.7 2,-0.3 -2,-0.5 -1,-0.2 0.373 100.4 104.3 105.0 -4.1 12.8 -29.7 26.6 46 46 A K S < S- 0 0 112 -3,-1.1 153,-0.7 153,-0.3 2,-0.4 -0.813 71.2-113.4-114.9 151.2 12.0 -26.9 29.0 47 47 A V E -H 198 0B 63 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.648 41.0-174.0 -78.7 132.3 10.2 -23.6 28.7 48 48 A G E -H 197 0B 0 149,-2.7 149,-1.9 -2,-0.4 2,-0.3 -0.823 15.7-135.1-125.6 168.7 12.6 -20.7 29.2 49 49 A T E -HI 196 66B 18 17,-2.6 17,-2.4 -2,-0.3 2,-0.4 -0.936 9.9-164.3-128.4 143.1 12.4 -16.9 29.5 50 50 A A E -HI 195 65B 0 145,-1.8 145,-1.5 -2,-0.3 2,-0.4 -0.996 3.6-171.0-129.0 133.1 14.4 -14.1 28.0 51 51 A H E -HI 194 64B 7 13,-2.4 13,-2.3 -2,-0.4 2,-0.4 -0.996 2.9-174.4-129.1 124.2 14.4 -10.5 29.1 52 52 A I E +HI 193 63B 2 141,-2.7 141,-2.1 -2,-0.4 2,-0.3 -0.983 7.5 174.9-121.8 129.0 16.2 -7.7 27.2 53 53 A I E +HI 192 62B 18 9,-2.1 9,-2.0 -2,-0.4 2,-0.3 -0.929 6.9 167.9-134.0 156.9 16.5 -4.2 28.4 54 54 A Y E -HI 191 61B 14 137,-1.6 137,-2.1 -2,-0.3 2,-0.3 -0.913 7.6-172.1-165.1 139.1 18.2 -1.0 27.2 55 55 A N E >> -HI 190 60B 16 5,-0.7 4,-1.6 -2,-0.3 5,-0.7 -0.978 31.8-125.7-139.9 148.5 18.0 2.7 28.2 56 56 A S T 45S+ 0 0 20 133,-2.9 134,-0.1 -2,-0.3 26,-0.0 0.380 104.5 61.0 -69.4 -1.4 19.4 5.9 26.7 57 57 A V T 45S+ 0 0 21 132,-0.3 -1,-0.2 3,-0.1 482,-0.1 0.917 115.8 24.5 -90.4 -62.2 21.0 6.8 30.0 58 58 A D T 45S- 0 0 11 2,-0.1 -2,-0.2 478,-0.1 3,-0.1 0.777 93.9-144.2 -70.1 -29.4 23.4 3.9 30.7 59 59 A K T <5 + 0 0 63 -4,-1.6 20,-1.5 1,-0.3 2,-0.4 0.947 54.2 134.1 58.7 50.5 23.6 3.3 26.9 60 60 A R E < -IJ 55 78B 29 -5,-0.7 -5,-0.7 18,-0.3 2,-0.6 -0.998 50.2-150.5-135.7 137.9 23.8 -0.4 27.7 61 61 A L E +IJ 54 77B 2 16,-2.5 16,-2.1 -2,-0.4 2,-0.3 -0.931 24.2 176.6-110.5 112.7 22.0 -3.3 26.3 62 62 A S E -IJ 53 76B 0 -9,-2.0 -9,-2.1 -2,-0.6 2,-0.3 -0.783 8.8-171.5-114.2 162.2 21.5 -6.3 28.7 63 63 A A E -IJ 52 75B 1 12,-2.2 12,-1.9 -2,-0.3 2,-0.4 -0.990 5.1-163.4-153.0 147.6 19.8 -9.6 28.4 64 64 A V E -IJ 51 74B 3 -13,-2.3 -13,-2.4 -2,-0.3 2,-0.4 -0.990 1.9-168.8-136.6 140.6 18.9 -12.4 30.8 65 65 A V E +IJ 50 73B 2 8,-2.4 8,-2.5 -2,-0.4 2,-0.3 -0.992 19.6 160.3-133.5 127.4 17.9 -15.9 30.0 66 66 A S E -I 49 0B 2 -17,-2.4 -17,-2.6 -2,-0.4 6,-0.1 -0.968 30.7-146.8-150.6 159.4 16.5 -18.3 32.7 67 67 A Y - 0 0 6 -2,-0.3 3,-0.3 4,-0.3 2,-0.2 -0.894 50.6 -84.3-119.9 150.8 14.6 -21.4 33.4 68 68 A P S S+ 0 0 47 0, 0.0 527,-0.2 0, 0.0 3,-0.1 -0.431 115.5 8.1 -58.1 121.2 12.3 -21.9 36.5 69 69 A N S S+ 0 0 130 525,-0.4 2,-0.3 1,-0.2 526,-0.1 0.996 111.8 94.5 66.9 71.7 14.7 -23.0 39.3 70 70 A A S S- 0 0 35 -3,-0.3 -1,-0.2 0, 0.0 -3,-0.1 -0.959 80.4 -74.5-179.1 159.7 18.1 -22.6 37.7 71 71 A D - 0 0 159 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.3 -0.397 47.4-136.7 -65.2 138.7 21.0 -20.3 37.1 72 72 A S - 0 0 51 -6,-0.1 2,-0.4 -2,-0.1 -6,-0.2 -0.780 7.6-133.5-102.5 141.1 20.3 -17.5 34.8 73 73 A A E -J 65 0B 12 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.3 -0.803 23.4-167.8 -92.6 139.7 22.7 -16.4 32.0 74 74 A T E +J 64 0B 64 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.961 10.7 176.2-130.6 144.7 23.4 -12.7 31.7 75 75 A V E +J 63 0B 5 -12,-1.9 -12,-2.2 -2,-0.3 2,-0.3 -0.978 3.9 177.1-147.1 143.8 25.1 -10.7 28.9 76 76 A S E -J 62 0B 23 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.987 7.0-176.0-150.3 146.0 25.5 -6.9 28.6 77 77 A Y E -J 61 0B 71 -16,-2.1 -16,-2.5 -2,-0.3 2,-0.6 -0.986 28.4-126.1-147.7 127.0 27.2 -4.6 26.1 78 78 A D E +J 60 0B 95 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.3 -0.676 45.4 161.3 -74.2 119.7 27.6 -0.8 26.2 79 79 A V - 0 0 14 -20,-1.5 2,-1.1 -2,-0.6 3,-0.1 -0.978 40.2-142.4-146.9 129.8 26.3 0.4 22.9 80 80 A D > - 0 0 53 -2,-0.3 3,-1.0 1,-0.2 4,-0.1 -0.789 17.0-170.6 -91.3 95.0 25.0 3.8 21.8 81 81 A L G >> S+ 0 0 4 -2,-1.1 4,-2.2 1,-0.2 3,-1.0 0.670 76.2 76.2 -61.6 -20.4 22.1 2.9 19.6 82 82 A D G 34 S+ 0 0 49 1,-0.2 -1,-0.2 2,-0.2 100,-0.0 0.931 104.1 36.3 -54.2 -48.1 21.8 6.5 18.3 83 83 A N G <4 S+ 0 0 131 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.248 120.1 48.6 -92.3 11.4 24.9 5.9 16.1 84 84 A V T <4 S+ 0 0 30 -3,-1.0 -2,-0.2 1,-0.1 -1,-0.1 0.684 109.7 38.1-118.2 -31.3 24.1 2.3 15.2 85 85 A L S < S- 0 0 9 -4,-2.2 2,-0.2 130,-0.0 -1,-0.1 -0.695 79.1-107.8-122.6 161.4 20.4 2.3 14.1 86 86 A P - 0 0 53 0, 0.0 95,-0.2 0, 0.0 -2,-0.0 -0.579 42.5-107.0 -80.5 162.7 18.0 4.5 12.1 87 87 A E S S+ 0 0 60 -2,-0.2 95,-1.1 94,-0.1 2,-0.4 0.666 106.9 51.8 -68.4 -12.5 15.4 6.3 14.3 88 88 A W S S+ 0 0 16 92,-0.2 129,-0.5 93,-0.2 92,-0.2 -0.987 72.6 156.4-123.1 128.4 12.6 4.1 13.1 89 89 A V E -DE 179 216A 0 90,-2.8 90,-2.1 -2,-0.4 2,-0.3 -0.559 34.1-126.7-132.4-166.0 13.0 0.3 13.2 90 90 A R E - 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