==== 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 SUGAR BINDING PROTEIN 30-JUL-08 3DZW . COMPND 2 MOLECULE: AGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: NARCISSUS PSEUDONARCISSUS; . AUTHOR P.J.RIZKALLAH,S.OZBEY,M.K.SAUERBORN . 218 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 64.7 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 . 81 37.2 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 . 8 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 32 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.3 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+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 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 1 5 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 4 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 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 D 0 0 143 0, 0.0 16,-2.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 139.3 32.8 47.0 23.3 2 2 A N + 0 0 72 14,-0.2 86,-2.8 1,-0.1 2,-0.4 0.418 360.0 66.1-104.0 -1.1 31.9 44.5 20.6 3 3 A I E -A 87 0A 37 84,-0.2 2,-0.6 14,-0.0 84,-0.2 -0.975 55.0-162.6-130.2 136.3 32.9 41.4 22.6 4 4 A L E -A 86 0A 4 82,-2.6 82,-2.1 -2,-0.4 2,-0.1 -0.966 28.5-149.1-110.8 108.7 31.6 39.7 25.7 5 5 A Y E > -A 85 0A 123 -2,-0.6 3,-2.0 80,-0.2 51,-0.3 -0.451 27.3 -89.7 -80.2 152.2 34.5 37.3 26.9 6 6 A S T 3 S+ 0 0 23 78,-2.1 51,-0.2 1,-0.3 -1,-0.1 -0.394 118.4 33.8 -60.7 134.7 33.9 34.0 28.8 7 7 A G T 3 S+ 0 0 69 49,-2.8 -1,-0.3 1,-0.4 2,-0.3 0.335 102.7 103.2 97.6 -3.8 33.9 34.8 32.5 8 8 A E E < -C 56 0B 86 -3,-2.0 48,-1.9 48,-0.6 -1,-0.4 -0.732 51.3-159.9-109.5 160.8 32.2 38.2 31.9 9 9 A T E -C 55 0B 68 -2,-0.3 2,-0.6 46,-0.2 46,-0.2 -0.942 17.9-131.1-138.4 157.4 28.6 39.4 32.4 10 10 A L E -C 54 0B 12 44,-2.4 44,-2.1 -2,-0.3 3,-0.1 -0.960 26.8-150.2-109.6 117.9 26.3 42.2 31.3 11 11 A S > - 0 0 48 -2,-0.6 3,-2.6 42,-0.2 14,-0.3 -0.326 46.5 -59.8 -78.0 167.1 24.4 43.8 34.1 12 12 A P T 3 S+ 0 0 26 0, 0.0 14,-0.2 0, 0.0 -1,-0.2 -0.245 129.2 13.3 -51.5 129.6 20.9 45.3 33.7 13 13 A G T 3 S+ 0 0 30 12,-3.2 13,-0.1 1,-0.3 2,-0.1 0.285 99.6 124.0 86.9 -9.4 21.1 48.1 31.0 14 14 A E < + 0 0 90 -3,-2.6 11,-2.2 11,-0.4 -1,-0.3 -0.420 36.1 169.7 -82.4 162.2 24.6 47.1 29.8 15 15 A F E -F 24 0C 100 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.972 36.4-114.4-162.6 169.7 25.4 46.3 26.2 16 16 A L E -F 23 0C 4 7,-2.5 7,-2.6 -2,-0.3 2,-0.3 -0.861 35.3-168.0-110.1 148.4 27.6 45.5 23.3 17 17 A N E +F 22 0C 65 -16,-2.4 5,-0.2 -2,-0.3 2,-0.2 -0.983 20.4 172.2-140.3 154.2 27.8 48.0 20.4 18 18 A N E > -F 21 0C 42 3,-2.3 3,-2.0 -2,-0.3 2,-0.3 -0.688 66.2 -56.9-162.3 98.7 29.2 48.1 16.9 19 19 A G T 3 S- 0 0 74 1,-0.3 -1,-0.2 -2,-0.2 71,-0.0 -0.465 124.7 -8.6 66.2-121.6 28.4 51.1 14.6 20 20 A R T 3 S+ 0 0 149 -2,-0.3 16,-2.3 -3,-0.1 2,-0.4 0.408 119.0 95.6 -87.8 3.3 24.6 51.4 14.3 21 21 A Y E < -FG 18 35C 44 -3,-2.0 -3,-2.3 14,-0.2 2,-0.4 -0.780 49.1-175.8-102.6 138.9 24.0 48.0 16.1 22 22 A V E -FG 17 34C 51 12,-1.9 12,-3.2 -2,-0.4 2,-0.6 -0.998 10.9-167.0-134.3 128.0 23.3 47.6 19.9 23 23 A F E -FG 16 33C 4 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.4 -0.948 27.2-177.6-115.4 104.2 22.9 44.2 21.8 24 24 A I E -FG 15 32C 35 8,-2.5 8,-2.1 -2,-0.6 2,-1.3 -0.905 37.5-144.5-122.1 136.7 21.4 45.0 25.2 25 25 A M E - G 0 31C 0 -11,-2.2 -12,-3.2 -2,-0.4 -11,-0.4 -0.762 41.8-150.4 -88.4 90.5 20.4 43.2 28.4 26 26 A Q > - 0 0 38 4,-1.8 3,-1.7 -2,-1.3 26,-0.5 -0.223 21.6-117.7 -68.3 155.1 17.4 45.4 29.1 27 27 A E T 3 S+ 0 0 98 1,-0.3 24,-2.5 2,-0.1 25,-0.2 0.771 114.6 63.9 -62.1 -27.3 16.0 46.1 32.6 28 28 A D T 3 S- 0 0 58 22,-0.2 19,-1.8 2,-0.2 20,-0.4 0.269 120.1-109.0 -80.8 11.9 12.7 44.3 31.6 29 29 A a S < S+ 0 0 0 -3,-1.7 2,-0.5 1,-0.2 -2,-0.1 0.496 79.4 128.6 73.2 9.0 14.8 41.0 31.3 30 30 A N - 0 0 26 14,-0.1 -4,-1.8 22,-0.1 2,-0.7 -0.834 51.2-147.9 -97.9 127.4 14.5 40.9 27.5 31 31 A L E -G 25 0C 0 -2,-0.5 12,-1.6 -6,-0.2 2,-0.3 -0.883 30.1-179.5 -94.5 115.3 17.9 40.5 25.6 32 32 A V E -GH 24 42C 3 -8,-2.1 -8,-2.5 -2,-0.7 2,-0.5 -0.934 30.5-148.0-129.8 143.8 17.5 42.4 22.3 33 33 A L E -GH 23 41C 10 8,-2.7 7,-2.7 -2,-0.3 8,-1.1 -0.929 25.1-167.0-104.7 122.0 19.5 43.3 19.2 34 34 A Y E -GH 22 39C 60 -12,-3.2 -12,-1.9 -2,-0.5 2,-0.7 -0.888 23.6-155.5-113.6 143.6 18.7 46.7 17.6 35 35 A D E > S-GH 21 38C 24 3,-2.7 3,-2.0 -2,-0.4 2,-0.5 -0.906 79.2 -59.5-111.7 93.2 19.5 48.2 14.3 36 36 A V T 3 S- 0 0 82 -16,-2.3 -14,-0.1 -2,-0.7 -2,-0.0 -0.541 124.4 -13.3 63.6-111.8 19.3 51.8 15.3 37 37 A D T 3 S+ 0 0 113 -2,-0.5 -1,-0.3 -3,-0.1 -3,-0.0 0.416 120.0 91.8 -98.9 3.5 15.6 52.0 16.5 38 38 A K E < -H 35 0C 121 -3,-2.0 -3,-2.7 2,-0.0 2,-0.4 -0.867 68.6-139.2-107.8 121.0 14.4 48.7 15.1 39 39 A P E +H 34 0C 88 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.613 25.7 170.4 -75.7 128.9 14.5 45.4 17.0 40 40 A I E + 0 0 64 -7,-2.7 2,-0.3 -2,-0.4 -6,-0.1 0.553 63.6 13.6-113.7 -15.4 15.6 42.5 14.8 41 41 A W E +H 33 0C 114 -8,-1.1 -8,-2.7 0, 0.0 -1,-0.3 -0.973 62.4 164.9-159.4 148.0 16.2 39.7 17.4 42 42 A A E -H 32 0C 21 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.988 44.9-122.5-161.5 160.0 15.3 38.9 21.0 43 43 A T - 0 0 12 -12,-1.6 -11,-0.1 -2,-0.3 31,-0.1 0.591 47.1-132.8 -79.7 -12.4 15.0 36.2 23.6 44 44 A N + 0 0 136 -13,-0.3 -14,-0.1 1,-0.1 -12,-0.1 0.890 69.8 124.3 59.8 43.1 11.3 37.1 24.1 45 45 A T > + 0 0 8 -16,-0.1 3,-1.2 -14,-0.1 4,-0.4 -0.006 28.8 139.7-119.0 24.3 11.7 37.1 27.8 46 46 A G T 3 S+ 0 0 32 1,-0.2 -17,-0.2 2,-0.1 4,-0.1 -0.478 70.6 15.2 -72.0 138.7 10.4 40.7 28.4 47 47 A G T 3 S+ 0 0 68 -19,-1.8 -1,-0.2 2,-0.4 -18,-0.1 0.400 92.7 109.3 79.9 -2.5 8.1 41.1 31.5 48 48 A L S < S- 0 0 101 -3,-1.2 2,-0.2 -20,-0.4 -2,-0.1 0.877 93.9 -28.2 -71.6 -38.4 9.1 37.7 33.0 49 49 A D S S- 0 0 56 -21,-0.4 2,-0.4 -4,-0.4 -2,-0.4 -0.871 70.5 -95.2-159.0-171.7 11.1 39.3 35.8 50 50 A R S S+ 0 0 142 -2,-0.2 -22,-0.2 1,-0.2 -23,-0.1 -0.954 87.8 6.5-124.8 140.9 13.1 42.5 36.6 51 51 A R S S+ 0 0 147 -24,-2.5 -1,-0.2 -2,-0.4 2,-0.2 0.965 73.3 174.2 55.9 66.2 16.9 43.2 36.4 52 52 A a - 0 0 0 -26,-0.5 2,-0.3 -3,-0.2 14,-0.2 -0.509 17.7-141.4 -92.0 164.8 18.3 40.0 34.8 53 53 A H E - D 0 65B 50 12,-1.8 12,-2.7 -2,-0.2 2,-0.4 -0.949 4.9-132.2-131.0 153.2 21.9 39.6 33.8 54 54 A L E -CD 10 64B 0 -44,-2.1 -44,-2.4 -2,-0.3 2,-0.4 -0.883 21.0-166.7-105.0 134.0 23.7 37.9 30.8 55 55 A S E -CD 9 63B 17 8,-2.8 8,-2.6 -2,-0.4 2,-0.9 -0.973 18.4-158.6-129.3 122.9 26.6 35.5 31.3 56 56 A M E -CD 8 62B 0 -48,-1.9 -49,-2.8 -2,-0.4 -48,-0.6 -0.870 35.8-151.3 -92.3 104.7 29.1 34.2 28.7 57 57 A Q > - 0 0 39 4,-2.5 3,-1.6 -2,-0.9 -51,-0.1 -0.381 24.1-120.4 -84.9 158.9 30.3 31.1 30.6 58 58 A S T 3 S+ 0 0 61 1,-0.3 24,-2.3 2,-0.1 -1,-0.1 0.583 113.0 62.9 -70.4 -11.6 33.6 29.2 30.6 59 59 A D T 3 S- 0 0 52 22,-0.2 20,-2.8 2,-0.2 -1,-0.3 0.437 121.8-106.3 -91.1 -1.8 31.7 26.0 29.5 60 60 A G S < S+ 0 0 1 -3,-1.6 2,-0.4 1,-0.3 -2,-0.1 0.392 78.5 129.9 94.1 0.1 30.7 27.8 26.2 61 61 A N - 0 0 27 18,-0.1 -4,-2.5 15,-0.1 2,-0.6 -0.708 49.0-148.0 -92.7 134.8 27.0 28.4 27.1 62 62 A L E -D 56 0B 9 -2,-0.4 13,-1.9 -6,-0.2 2,-0.4 -0.919 30.2-179.9-100.2 117.6 25.4 32.0 26.8 63 63 A V E -DE 55 74B 4 -8,-2.6 -8,-2.8 -2,-0.6 2,-0.6 -0.958 31.1-147.8-132.3 140.8 22.8 32.3 29.6 64 64 A V E -DE 54 73B 0 9,-2.5 8,-2.7 -2,-0.4 9,-1.0 -0.904 26.6-161.3 -99.8 122.0 20.3 34.9 30.9 65 65 A Y E -DE 53 71B 50 -12,-2.7 -12,-1.8 -2,-0.6 -36,-0.0 -0.844 11.9-128.3-108.2 144.1 19.8 34.6 34.7 66 66 A S > - 0 0 7 4,-2.5 3,-2.2 -2,-0.3 -14,-0.1 -0.266 38.7 -95.9 -77.8 167.8 16.9 35.9 36.8 67 67 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.751 129.9 55.1 -56.8 -23.6 17.4 38.0 39.9 68 68 A R T 3 S- 0 0 185 2,-0.1 -16,-0.0 0, 0.0 -2,-0.0 0.178 123.1-108.1 -92.5 16.1 17.1 34.7 41.9 69 69 A N S < S+ 0 0 113 -3,-2.2 -4,-0.0 1,-0.2 -17,-0.0 0.815 74.2 137.8 62.7 35.9 20.0 33.2 39.8 70 70 A N - 0 0 92 2,-0.0 -4,-2.5 0, 0.0 -1,-0.2 -0.926 58.3-112.2-109.7 133.5 17.7 30.8 37.8 71 71 A P E +E 65 0B 85 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.421 35.3 171.5 -66.3 138.4 18.2 30.4 34.0 72 72 A I E S+ 0 0 51 -8,-2.7 2,-0.3 1,-0.4 -7,-0.1 0.415 70.9 10.9-120.5 -8.2 15.4 31.8 31.8 73 73 A W E +E 64 0B 67 -9,-1.0 -9,-2.5 -28,-0.0 -1,-0.4 -0.923 63.5 175.6-167.3 144.8 17.2 31.5 28.4 74 74 A A E -E 63 0B 25 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.992 37.7-130.8-154.9 151.5 20.3 29.8 27.0 75 75 A S - 0 0 34 -13,-1.9 -12,-0.1 -2,-0.3 -1,-0.1 0.616 44.1-132.1 -75.3 -12.8 22.1 29.1 23.7 76 76 A N + 0 0 141 -14,-0.3 -15,-0.1 1,-0.1 -13,-0.1 0.878 69.9 123.9 61.1 41.3 22.4 25.4 24.7 77 77 A T + 0 0 66 -15,-0.1 2,-0.2 -17,-0.0 -1,-0.1 -0.037 27.3 141.8-119.8 28.7 26.1 25.4 23.8 78 78 A G + 0 0 45 -18,-0.1 -18,-0.2 1,-0.1 2,-0.2 -0.518 23.7 111.3 -73.3 136.6 27.6 24.1 27.1 79 79 A G + 0 0 53 -20,-2.8 -18,-0.1 1,-0.3 -1,-0.1 -0.546 55.4 20.5-164.1-128.6 30.5 21.7 26.7 80 80 A E S S- 0 0 132 -2,-0.2 -1,-0.3 1,-0.1 2,-0.2 -0.347 76.0-108.3 -66.3 141.4 34.2 21.6 27.3 81 81 A N S S+ 0 0 127 -3,-0.1 2,-0.3 -2,-0.1 -22,-0.2 -0.484 70.4 94.6 -69.1 136.8 35.8 24.0 29.7 82 82 A G S S- 0 0 16 -24,-2.3 2,-0.5 -2,-0.2 -22,-0.2 -0.939 72.7 -43.1 175.7-153.8 37.9 26.7 28.0 83 83 A N + 0 0 114 -2,-0.3 16,-0.6 -24,-0.1 17,-0.4 -0.943 53.0 167.2-113.9 127.2 37.9 30.2 26.5 84 84 A Y E - 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