==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 29-SEP-99 1QMJ . COMPND 2 MOLECULE: BETA-GALACTOSIDE-BINDING LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR P.F.VARELA,D.SOLIS,T.DIAZ-MAURINO,H.KALTNER,H.-J.GABIUS, . 264 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 76.9 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 . 140 53.0 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 3.8 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 . 2 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 . 36 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.3 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 . 4 4 3 3 5 4 2 1 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 0 1 0 0 0 0 0 1 0 0 0 1 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 2 A Q 0 0 73 0, 0.0 123,-0.6 0, 0.0 140,-0.1 0.000 360.0 360.0 360.0 155.8 4.2 23.5 57.9 2 3 A G + 0 0 34 138,-0.3 2,-0.2 119,-0.1 119,-0.1 -0.351 360.0 161.3-169.7 79.4 6.1 26.4 56.4 3 4 A L - 0 0 1 118,-0.0 117,-2.3 139,-0.0 2,-0.4 -0.581 27.1-139.3-103.6 165.8 8.7 28.0 58.6 4 5 A V E -AB 119 139A 22 135,-2.3 135,-2.9 115,-0.2 2,-0.5 -0.987 9.4-161.0-127.5 133.9 11.6 30.3 57.8 5 6 A V E +AB 118 138A 2 113,-3.3 113,-2.2 -2,-0.4 2,-0.2 -0.974 18.4 166.6-120.1 124.3 15.0 30.1 59.5 6 7 A T E + B 0 137A 38 131,-2.5 131,-2.2 -2,-0.5 111,-0.2 -0.722 48.7 57.4-126.9 178.1 17.4 33.0 59.4 7 8 A Q S S+ 0 0 131 109,-0.4 110,-0.1 -2,-0.2 -1,-0.1 0.739 76.5 148.8 67.6 26.0 20.7 34.2 61.1 8 9 A L - 0 0 13 108,-1.4 -1,-0.2 -3,-0.2 127,-0.0 -0.403 38.0-167.9 -86.0 165.4 22.3 30.9 59.9 9 10 A D + 0 0 93 -2,-0.1 2,-0.4 -3,-0.1 107,-0.2 -0.226 19.4 166.2-149.5 45.9 26.0 30.5 59.0 10 11 A V B -N 115 0B 5 105,-2.0 105,-2.7 3,-0.0 3,-0.1 -0.554 16.5-169.8 -70.1 121.3 26.1 27.1 57.2 11 12 A Q > - 0 0 91 -2,-0.4 3,-1.8 103,-0.2 79,-0.2 -0.646 36.4 -66.5-109.5 167.4 29.4 26.8 55.5 12 13 A P T 3 S+ 0 0 65 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.309 121.6 29.8 -57.5 136.4 30.7 24.2 53.0 13 14 A G T 3 S+ 0 0 72 77,-0.9 78,-0.1 1,-0.5 2,-0.1 -0.232 94.4 110.7 107.1 -36.6 31.0 20.7 54.5 14 15 A E < - 0 0 67 -3,-1.8 -1,-0.5 76,-0.1 2,-0.4 -0.350 60.6-138.1 -69.6 150.2 28.2 21.3 57.1 15 16 A C - 0 0 27 74,-0.1 117,-2.4 -3,-0.1 2,-0.5 -0.938 9.7-160.1-118.1 134.6 25.0 19.3 56.6 16 17 A V E -OP 88 131C 4 72,-2.7 72,-2.7 -2,-0.4 2,-0.5 -0.965 12.0-164.9-114.5 117.2 21.5 20.6 57.0 17 18 A K E -OP 87 130C 61 113,-2.5 113,-2.8 -2,-0.5 2,-0.6 -0.919 6.5-168.9-111.7 125.5 18.8 18.0 57.6 18 19 A V E -OP 86 129C 0 68,-3.0 68,-3.2 -2,-0.5 2,-0.4 -0.959 7.6-171.1-114.3 115.6 15.1 18.6 57.2 19 20 A K E +OP 85 128C 65 109,-2.9 108,-3.2 -2,-0.6 109,-1.8 -0.860 26.3 116.4-107.4 140.4 12.8 15.9 58.5 20 21 A G E -OP 84 126C 6 64,-2.2 64,-1.2 -2,-0.4 2,-0.4 -0.950 54.3 -89.7-175.0-169.3 9.1 15.9 57.9 21 22 A K E -OP 83 125C 49 104,-2.0 104,-2.5 -2,-0.3 2,-0.4 -0.997 27.0-130.3-132.5 130.9 6.1 14.3 56.3 22 23 A I E - P 0 124C 0 60,-3.3 59,-1.2 -2,-0.4 102,-0.2 -0.663 38.0-109.9 -78.9 128.3 4.7 14.9 52.9 23 24 A L > - 0 0 55 100,-1.6 3,-1.8 -2,-0.4 58,-0.4 -0.252 21.9-116.1 -61.1 147.3 0.9 15.4 53.1 24 25 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.1 56,-0.3 56,-0.1 0.196 116.9 34.9 -71.2 16.5 -1.4 12.7 51.8 25 26 A D T 3 S+ 0 0 115 98,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.020 84.9 162.6-159.4 30.3 -2.6 15.1 49.1 26 27 A A < - 0 0 2 -3,-1.8 3,-0.1 1,-0.2 54,-0.1 -0.383 29.8-167.6 -65.0 129.6 0.5 17.1 48.4 27 28 A K S S- 0 0 141 1,-0.5 22,-1.9 -2,-0.1 21,-1.4 0.755 70.2 -71.2 -80.5 -32.0 0.6 19.1 45.2 28 29 A G B -X 47 0D 9 19,-0.3 95,-2.2 20,-0.2 -1,-0.5 -0.803 48.3-135.6 154.4 173.4 4.2 19.5 46.0 29 30 A F E -C 122 0A 2 17,-1.8 2,-0.3 93,-0.3 93,-0.3 -0.902 11.1-141.9-146.7 170.9 6.5 21.3 48.4 30 31 A S E -C 121 0A 6 91,-2.4 91,-2.5 -2,-0.3 2,-0.4 -0.981 6.8-157.8-143.9 152.5 9.7 23.2 48.3 31 32 A V E -CD 120 44A 0 13,-2.3 13,-1.8 -2,-0.3 2,-0.4 -0.923 19.9-169.4-134.3 102.5 12.9 23.7 50.3 32 33 A N E +CD 119 43A 6 87,-2.5 87,-2.8 -2,-0.4 2,-0.3 -0.816 8.9 175.7-103.4 136.2 14.8 27.0 49.7 33 34 A V E +CD 118 42A 2 9,-1.8 8,-2.1 -2,-0.4 9,-2.0 -0.973 30.5 89.5-134.0 143.0 18.3 27.9 50.9 34 35 A G E S-CD 117 40A 0 83,-1.9 82,-2.4 -2,-0.3 83,-2.0 -0.918 86.0 -52.7 170.7-143.1 20.3 31.0 50.2 35 36 A K E S- 0 0 58 4,-2.3 2,-0.3 1,-0.4 5,-0.2 0.819 107.5 -30.7 -94.2 -45.9 20.9 34.6 51.5 36 37 A D E > S- D 0 39A 74 3,-1.6 3,-0.7 81,-0.1 -1,-0.4 -0.895 79.2 -71.7-159.7-176.8 17.2 35.6 51.7 37 38 A S T 3 S+ 0 0 69 -2,-0.3 3,-0.2 1,-0.2 -4,-0.0 0.690 129.8 47.9 -62.1 -21.0 13.9 35.1 50.0 38 39 A S T 3 S+ 0 0 54 1,-0.2 27,-2.6 26,-0.1 2,-0.5 0.684 113.5 47.8 -94.4 -20.8 15.0 37.1 46.9 39 40 A T E < S+D 36 0A 31 -3,-0.7 -4,-2.3 24,-0.2 -3,-1.6 -0.913 70.4 174.1-128.2 104.3 18.4 35.3 46.5 40 41 A L E -DE 34 62A 5 22,-1.9 22,-2.0 -2,-0.5 -6,-0.3 -0.927 28.4-160.8-115.6 133.1 18.3 31.5 46.7 41 42 A M E S+ 0 0 2 -8,-2.1 2,-0.3 -2,-0.4 68,-0.3 0.793 87.0 9.2 -75.7 -31.8 21.1 29.2 46.1 42 43 A L E -D 33 0A 0 -9,-2.0 -9,-1.8 66,-0.1 2,-0.6 -0.941 52.0-164.8-159.4 133.2 18.6 26.4 45.5 43 44 A H E -D 32 0A 14 17,-2.5 2,-0.8 -2,-0.3 17,-0.3 -0.832 17.7-168.7-117.2 83.9 14.9 26.0 45.1 44 45 A F E +D 31 0A 1 -13,-1.8 -13,-2.3 -2,-0.6 15,-0.2 -0.675 13.9 170.9 -77.8 109.7 14.2 22.3 45.6 45 46 A N E - Y 0 58D 13 13,-2.7 13,-1.4 -2,-0.8 2,-0.2 -0.656 17.3-167.8-128.7 77.3 10.7 21.8 44.5 46 47 A P E - Y 0 57D 0 0, 0.0 -17,-1.8 0, 0.0 2,-0.5 -0.519 16.6-159.3 -62.5 128.1 9.3 18.2 44.1 47 48 A R E +XY 28 56D 19 9,-2.9 9,-2.7 -2,-0.2 -19,-0.3 -0.957 24.8 175.6-118.9 118.4 6.0 18.4 42.2 48 49 A F E S- 0 0 12 -21,-1.4 7,-1.8 -2,-0.5 -20,-0.2 0.937 89.7 -17.8 -79.3 -53.4 3.4 15.7 42.4 49 50 A D E S+ Y 0 54D 108 -22,-1.9 2,-0.4 5,-0.3 5,-0.2 -0.591 95.9 134.0-158.4 82.6 0.8 17.6 40.3 50 51 A C E > S- Y 0 53D 29 3,-2.3 3,-1.8 -2,-0.1 -3,-0.1 -0.992 72.1 -8.2-143.1 128.3 1.6 21.2 40.2 51 52 A H T 3 S- 0 0 154 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.855 128.8 -52.6 53.8 44.1 1.6 23.7 37.3 52 53 A G T 3 S+ 0 0 72 1,-0.3 2,-0.5 -3,-0.0 -1,-0.3 0.289 112.7 123.6 79.8 -9.7 1.1 20.9 34.8 53 54 A D E < -Y 50 0D 16 -3,-1.8 -3,-2.3 3,-0.1 2,-0.5 -0.733 44.6-163.7 -88.6 128.3 4.1 19.0 36.2 54 55 A V E -Y 49 0D 83 -2,-0.5 -5,-0.3 -5,-0.2 -6,-0.2 -0.967 68.1 -22.1-117.0 121.1 3.4 15.5 37.4 55 56 A N E S+ 0 0 87 -7,-1.8 2,-0.4 -2,-0.5 -7,-0.2 0.920 97.6 137.3 43.2 65.6 5.9 13.7 39.7 56 57 A T E -Y 47 0D 30 -9,-2.7 -9,-2.9 -3,-0.2 2,-0.6 -0.999 49.9-138.2-141.5 135.1 8.8 15.9 38.8 57 58 A V E -YZ 46 73D 0 16,-0.5 16,-2.6 -2,-0.4 2,-0.5 -0.830 20.9-163.4 -94.5 123.4 11.5 17.5 40.8 58 59 A V E -YZ 45 72D 0 -13,-1.4 -13,-2.7 -2,-0.6 2,-0.4 -0.931 4.3-169.5-111.9 131.3 12.4 21.0 39.7 59 60 A C E + Z 0 71D 2 12,-2.3 12,-2.1 -2,-0.5 2,-0.3 -0.935 17.8 149.5-119.3 141.5 15.6 22.8 40.8 60 61 A N - 0 0 6 -2,-0.4 -17,-2.5 -17,-0.3 2,-0.2 -0.984 32.5-131.8-165.7 161.5 16.3 26.4 40.3 61 62 A S - 0 0 6 -2,-0.3 7,-2.4 -19,-0.2 2,-0.3 -0.638 14.9-152.5-112.6 171.5 18.1 29.4 41.7 62 63 A K E -EF 40 67A 43 -22,-2.0 -22,-1.9 5,-0.2 2,-0.4 -0.970 10.7-178.7-151.3 131.4 16.9 32.9 42.3 63 64 A E E > S- F 0 66A 127 3,-2.5 3,-1.1 -2,-0.3 -24,-0.2 -0.978 74.0 -7.8-140.0 122.6 18.8 36.2 42.3 64 65 A D T 3 S- 0 0 145 -2,-0.4 -25,-0.2 1,-0.3 -1,-0.1 0.865 130.9 -54.9 60.3 38.8 17.5 39.6 42.9 65 66 A G T 3 S+ 0 0 39 -27,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.536 113.6 120.9 73.9 11.1 14.0 38.1 42.9 66 67 A T E < -F 63 0A 95 -3,-1.1 -3,-2.5 -28,-0.4 -1,-0.2 -0.913 60.6-129.7-111.1 130.4 14.5 36.6 39.4 67 68 A W E -F 62 0A 120 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.476 21.3-141.7 -74.1 143.7 14.2 32.8 38.8 68 69 A G - 0 0 34 -7,-2.4 2,-0.5 -2,-0.2 -1,-0.1 0.017 45.9 -53.7 -86.7-162.2 17.1 31.2 36.8 69 70 A E - 0 0 150 1,-0.1 -1,-0.2 -2,-0.0 -8,-0.1 -0.708 64.2-116.0 -83.6 123.3 16.8 28.5 34.2 70 71 A E - 0 0 70 -2,-0.5 2,-0.4 -10,-0.1 -10,-0.2 -0.199 20.7-155.0 -59.1 148.7 14.8 25.5 35.5 71 72 A D E -Z 59 0D 46 -12,-2.1 -12,-2.3 2,-0.0 2,-0.4 -0.942 8.9-159.2-131.4 103.3 16.5 22.2 35.9 72 73 A R E -Z 58 0D 121 -2,-0.4 2,-0.2 -14,-0.2 -14,-0.2 -0.736 8.7-146.4 -90.1 130.5 14.1 19.2 35.7 73 74 A K E -Z 57 0D 52 -16,-2.6 -16,-0.5 -2,-0.4 31,-0.0 -0.645 10.1-143.6 -97.2 152.9 15.3 16.0 37.2 74 75 A A S S+ 0 0 105 -2,-0.2 2,-0.2 -18,-0.1 -1,-0.1 0.842 79.2 73.5 -81.8 -40.7 14.4 12.5 36.0 75 76 A D + 0 0 97 1,-0.0 -18,-0.3 -19,-0.0 -2,-0.1 -0.570 50.2 179.8 -83.8 142.0 14.1 10.7 39.4 76 77 A F + 0 0 39 -2,-0.2 2,-0.6 -20,-0.1 -1,-0.0 -0.634 4.7 173.3-139.9 71.7 11.2 11.3 41.8 77 78 A P + 0 0 21 0, 0.0 2,-0.4 0, 0.0 24,-0.1 0.060 49.3 105.4 -69.2 27.7 11.8 9.2 44.9 78 79 A F + 0 0 9 -2,-0.6 2,-0.3 6,-0.0 -2,-0.0 -0.879 42.1 177.7-120.7 150.5 8.7 10.8 46.6 79 80 A Q > - 0 0 132 -2,-0.4 3,-1.3 -57,-0.0 -57,-0.2 -0.983 39.6 -94.9-142.9 145.5 5.2 9.7 47.5 80 81 A Q T 3 S+ 0 0 99 -2,-0.3 -56,-0.3 1,-0.2 -57,-0.2 -0.379 109.9 24.9 -65.1 137.4 2.4 11.4 49.3 81 82 A G T 3 S+ 0 0 22 -59,-1.2 2,-0.4 -58,-0.4 -1,-0.2 0.518 92.9 140.9 84.1 10.8 2.1 10.6 53.0 82 83 A D < - 0 0 58 -3,-1.3 -60,-3.3 -59,-0.2 2,-0.8 -0.709 49.7-140.9 -91.1 133.7 5.7 9.8 53.1 83 84 A K E +O 21 0C 170 -2,-0.4 2,-0.3 -62,-0.3 -62,-0.2 -0.852 35.7 170.5 -94.8 109.7 8.0 10.7 56.0 84 85 A V E -O 20 0C 17 -64,-1.2 -64,-2.2 -2,-0.8 2,-0.5 -0.868 31.9-142.6-127.0 158.5 11.3 11.8 54.5 85 86 A E E -O 19 0C 58 -2,-0.3 2,-0.5 -66,-0.2 -66,-0.3 -0.987 16.8-158.1-119.9 121.8 14.6 13.4 55.6 86 87 A I E -O 18 0C 0 -68,-3.2 -68,-3.0 -2,-0.5 2,-0.5 -0.914 4.0-161.2-108.6 122.1 16.3 15.8 53.3 87 88 A C E -OQ 17 98C 22 11,-2.6 11,-3.0 -2,-0.5 2,-0.4 -0.905 7.5-170.1-108.0 127.3 20.0 16.4 53.6 88 89 A I E +OQ 16 97C 1 -72,-2.7 -72,-2.7 -2,-0.5 2,-0.3 -0.971 15.9 150.6-124.2 132.2 21.6 19.5 52.1 89 90 A S E + Q 0 96C 33 7,-1.8 7,-2.9 -2,-0.4 2,-0.3 -0.909 13.9 179.1-147.0 166.2 25.3 20.4 51.7 90 91 A F E - 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