==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 17-JUL-08 3DUI . COMPND 2 MOLECULE: BETA-GALACTOSIDE-BINDING LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR A.ROMERO,M.I.F.LOPEZ-LUCENDO,D.SOLIS,H.-J.GABIUS . 264 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 71.2 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 . 141 53.4 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 . 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 . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.7 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 . 3 3 4 2 2 6 2 0 2 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 0 0 0 0 0 0 1 0 0 0 0 0 1 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 3 A Q 0 0 201 0, 0.0 121,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 130.3 26.7 -6.0 -15.0 2 4 A G - 0 0 16 119,-0.1 119,-0.2 1,-0.0 137,-0.1 -0.918 360.0 -23.5-166.2-170.6 25.6 -8.1 -12.1 3 5 A P - 0 0 20 0, 0.0 117,-1.7 0, 0.0 2,-0.4 -0.193 50.1-171.4 -53.6 135.7 24.1 -11.4 -10.9 4 6 A V E -AB 119 139A 40 135,-2.0 135,-2.9 115,-0.2 2,-0.5 -0.994 4.1-174.0-132.5 126.3 22.1 -13.4 -13.4 5 7 A a E -AB 118 138A 2 113,-3.2 113,-2.2 -2,-0.4 2,-0.3 -0.980 6.5-169.7-124.3 125.5 20.0 -16.5 -12.5 6 8 A T E + B 0 137A 41 131,-2.7 131,-1.9 -2,-0.5 111,-0.2 -0.810 61.3 10.3-114.7 153.0 18.3 -18.7 -15.1 7 9 A N + 0 0 88 28,-0.4 -1,-0.2 -2,-0.3 110,-0.2 0.900 62.1 168.3 51.4 51.3 15.7 -21.5 -14.9 8 10 A L - 0 0 5 108,-2.7 108,-0.1 -3,-0.2 251,-0.1 0.836 35.9-140.9 -62.2 -31.2 15.0 -21.0 -11.2 9 11 A G - 0 0 30 1,-0.2 107,-0.2 126,-0.1 2,-0.1 0.852 26.7-177.5 76.2 38.1 12.0 -23.4 -11.6 10 12 A L - 0 0 7 105,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.423 18.1-136.0 -70.5 141.1 9.4 -21.7 -9.5 11 13 A K > - 0 0 106 1,-0.1 3,-2.3 -2,-0.1 104,-0.2 -0.604 41.0 -72.2 -93.3 158.5 6.0 -23.5 -9.2 12 14 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 102,-0.1 -0.244 121.3 20.8 -52.6 124.2 2.6 -21.7 -9.4 13 15 A G T 3 S+ 0 0 65 100,-0.4 2,-0.3 77,-0.4 101,-0.1 0.315 89.9 129.6 99.1 -8.8 2.0 -19.7 -6.2 14 16 A Q < - 0 0 20 -3,-2.3 2,-0.4 117,-0.1 -1,-0.3 -0.621 47.8-143.4 -83.5 140.6 5.6 -19.4 -5.1 15 17 A R - 0 0 151 117,-2.8 117,-1.1 -2,-0.3 2,-0.6 -0.837 7.5-134.6-104.9 139.8 7.0 -16.0 -4.2 16 18 A L E -PQ 88 131B 0 72,-2.6 72,-3.1 -2,-0.4 2,-0.5 -0.821 18.2-162.2 -96.1 118.5 10.5 -14.9 -5.0 17 19 A T E -PQ 87 130B 28 113,-3.2 113,-2.1 -2,-0.6 2,-0.4 -0.856 4.7-168.6-102.8 132.1 12.3 -13.1 -2.1 18 20 A V E -PQ 86 129B 0 68,-3.6 68,-2.7 -2,-0.5 2,-0.3 -0.969 4.1-174.4-121.1 133.6 15.4 -11.0 -2.9 19 21 A K E +PQ 85 128B 52 109,-2.2 108,-2.8 -2,-0.4 109,-1.5 -0.953 22.0 112.4-128.0 148.5 17.7 -9.6 -0.2 20 22 A G E -PQ 84 126B 2 64,-1.9 64,-3.2 -2,-0.3 2,-0.4 -0.982 55.0 -78.8 175.5-173.9 20.7 -7.3 -0.4 21 23 A I E -PQ 83 125B 61 104,-2.1 104,-2.8 -2,-0.3 2,-0.4 -0.946 29.3-133.1-119.1 135.6 22.1 -3.9 0.5 22 24 A I E - Q 0 124B 0 60,-3.0 59,-0.4 -2,-0.4 102,-0.2 -0.707 41.0-102.2 -82.1 129.3 21.5 -0.6 -1.3 23 25 A A > - 0 0 26 100,-2.2 58,-1.9 -2,-0.4 3,-1.2 -0.095 25.1-118.5 -51.0 149.2 24.8 1.3 -1.9 24 26 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.829 114.8 27.8 -60.1 -34.0 25.6 4.2 0.5 25 27 A N T 3 S+ 0 0 136 55,-0.1 -2,-0.1 56,-0.0 98,-0.0 0.012 91.6 167.2-117.6 27.0 25.7 6.7 -2.3 26 28 A A < - 0 0 0 -3,-1.2 3,-0.1 97,-0.1 54,-0.1 -0.010 25.5-176.8 -47.8 138.8 23.3 4.9 -4.7 27 29 A K - 0 0 105 1,-0.5 21,-2.5 21,-0.1 22,-1.9 0.760 68.2 -42.1-101.3 -44.5 21.8 6.7 -7.7 28 30 A S B -C 47 0A 25 19,-0.2 95,-2.8 20,-0.2 -1,-0.5 -0.974 51.6-159.6-172.6 171.2 19.6 3.8 -8.8 29 31 A F E -D 122 0A 0 17,-1.7 2,-0.3 -2,-0.3 93,-0.2 -0.976 9.6-142.5-157.5 165.0 19.3 0.0 -9.3 30 32 A V E -D 121 0A 7 91,-2.5 91,-1.3 -2,-0.3 2,-0.4 -0.980 9.5-167.6-140.5 153.8 17.3 -2.6 -11.1 31 33 A M E -DE 120 44A 0 13,-2.3 13,-3.3 -2,-0.3 2,-0.5 -0.995 13.6-160.5-136.4 126.1 15.9 -6.1 -10.8 32 34 A N E +DE 119 43A 12 87,-2.6 87,-1.8 -2,-0.4 2,-0.3 -0.953 12.1 179.5-113.1 128.6 14.5 -7.9 -13.8 33 35 A L E +DE 118 42A 0 9,-2.7 9,-2.5 -2,-0.5 8,-1.0 -0.967 25.7 88.5-129.3 145.6 12.1 -10.8 -13.4 34 36 A G E S-DE 117 40A 0 83,-1.7 82,-2.7 -2,-0.3 83,-2.2 -0.930 83.8 -51.6 170.3-146.1 10.4 -13.1 -15.9 35 37 A K E S- 0 0 112 4,-2.4 -28,-0.4 1,-0.4 2,-0.3 0.829 109.2 -26.1 -92.2 -39.4 10.7 -16.3 -17.9 36 38 A D E > S- E 0 39A 53 3,-0.9 3,-1.8 81,-0.1 -1,-0.4 -0.929 82.4 -71.0-160.7 179.6 14.1 -15.5 -19.4 37 39 A S T 3 S+ 0 0 76 -2,-0.3 3,-0.2 1,-0.3 -4,-0.0 0.642 130.8 42.5 -58.3 -15.1 16.4 -12.6 -20.4 38 40 A T T 3 S+ 0 0 43 1,-0.2 26,-1.3 26,-0.1 2,-0.3 0.377 109.3 57.5-114.4 3.1 14.1 -11.7 -23.3 39 41 A H E < +EF 36 63A 45 -3,-1.8 -4,-2.4 24,-0.2 -3,-0.9 -0.725 68.5 175.5-134.6 80.3 10.7 -12.2 -21.6 40 42 A L E -EF 34 62A 6 22,-1.1 22,-1.8 -2,-0.3 -6,-0.3 -0.807 17.6-174.8 -94.5 112.0 10.7 -9.8 -18.6 41 43 A G E S+ 0 0 2 -8,-1.0 2,-0.4 -2,-0.7 68,-0.3 0.910 80.4 19.2 -68.8 -41.2 7.4 -9.7 -16.7 42 44 A L E -E 33 0A 1 -9,-2.5 -9,-2.7 -3,-0.1 2,-0.7 -0.960 55.2-170.8-140.6 122.2 8.8 -7.0 -14.5 43 45 A H E -EF 32 60A 23 17,-2.7 17,-1.4 -2,-0.4 2,-0.7 -0.946 22.1-164.4-105.5 107.7 11.7 -4.6 -14.9 44 46 A F E +EF 31 59A 2 -13,-3.3 -13,-2.3 -2,-0.7 15,-0.2 -0.885 13.8 172.1-101.8 113.7 11.9 -3.0 -11.4 45 47 A N E - F 0 58A 9 13,-2.4 13,-2.4 -2,-0.7 2,-0.3 -0.753 14.0-166.8-129.7 87.5 14.0 0.2 -11.4 46 48 A P E - F 0 57A 0 0, 0.0 -17,-1.7 0, 0.0 2,-0.5 -0.553 13.0-160.5 -71.6 132.1 14.1 2.4 -8.3 47 49 A R E +CF 28 56A 23 9,-3.4 9,-2.4 -2,-0.3 -19,-0.2 -0.930 25.6 170.9-122.3 112.6 15.6 5.8 -9.1 48 50 A F E S- 0 0 12 -21,-2.5 7,-2.1 -2,-0.5 2,-0.2 0.944 90.5 -15.5 -75.4 -51.7 17.1 8.1 -6.4 49 51 A D E S+ F 0 54A 78 -22,-1.9 2,-0.3 5,-0.2 -1,-0.2 -0.749 96.4 128.2-155.9 96.3 18.6 10.4 -8.9 50 52 A A E > - F 0 53A 14 3,-2.3 3,-2.2 -2,-0.2 -3,-0.0 -0.927 68.4 -7.1-161.8 133.5 18.8 9.1 -12.5 51 53 A H T 3 S- 0 0 159 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.809 128.0 -51.4 53.5 34.8 17.9 10.2 -16.0 52 54 A G T 3 S+ 0 0 75 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.247 113.5 117.2 90.9 -15.3 16.0 13.1 -14.7 53 55 A D E < -F 50 0A 21 -3,-2.2 -3,-2.3 3,-0.1 2,-0.4 -0.669 46.4-161.2 -89.3 144.4 13.9 11.2 -12.2 54 56 A V E -F 49 0A 88 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.2 -0.989 65.2 -20.1-130.0 123.4 14.2 11.8 -8.5 55 57 A N E S+ 0 0 82 -7,-2.1 2,-0.3 -2,-0.4 -7,-0.2 0.890 102.5 112.5 48.0 55.5 13.1 9.4 -5.8 56 58 A L E -F 47 0A 20 -9,-2.4 -9,-3.4 -11,-0.1 2,-0.4 -0.978 62.0-116.8-149.8 162.6 10.8 7.3 -7.9 57 59 A I E -FG 46 73A 0 16,-2.3 16,-2.3 -2,-0.3 2,-0.5 -0.862 17.6-159.3-106.2 132.9 10.3 3.8 -9.3 58 60 A V E -FG 45 72A 0 -13,-2.4 -13,-2.4 -2,-0.4 2,-0.4 -0.928 14.5-175.9-108.8 131.0 10.2 3.0 -13.0 59 61 A C E +FG 44 71A 16 12,-3.0 12,-2.4 -2,-0.5 2,-0.3 -0.966 11.8 147.1-128.0 147.2 8.6 -0.3 -14.0 60 62 A N E -F 43 0A 3 -17,-1.4 -17,-2.7 -2,-0.4 2,-0.3 -0.920 33.0-125.3-159.3-177.9 8.2 -1.9 -17.4 61 63 A S E - 0 0 6 -2,-0.3 7,-3.2 -19,-0.2 2,-0.4 -0.884 20.5-147.8-134.0 162.0 8.1 -5.2 -19.3 62 64 A K E -FH 40 67A 45 -22,-1.8 -22,-1.1 -2,-0.3 2,-0.4 -0.998 13.4-179.2-141.6 144.0 10.1 -6.4 -22.3 63 65 A K E S-F 39 0A 101 3,-1.5 3,-0.4 -2,-0.4 -24,-0.2 -0.977 71.6 -19.9-142.6 124.6 9.5 -8.6 -25.3 64 66 A M S S- 0 0 100 -26,-1.3 -1,-0.1 -2,-0.4 -25,-0.1 0.922 129.6 -40.7 41.8 70.3 12.1 -9.5 -27.9 65 67 A E S S+ 0 0 167 -27,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.771 120.2 104.7 54.4 30.5 14.5 -6.6 -27.3 66 68 A E - 0 0 127 -3,-0.4 -3,-1.5 -28,-0.2 -1,-0.1 -0.774 62.8-133.9-153.6 111.8 11.7 -4.1 -26.8 67 69 A W B -H 62 0A 95 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.006 18.3-133.4 -52.4 149.3 10.3 -2.5 -23.7 68 70 A G - 0 0 32 -7,-3.2 2,-0.6 1,-0.2 -1,-0.1 -0.016 56.9 -46.5 -87.1-161.0 6.6 -2.2 -23.0 69 71 A T - 0 0 108 1,-0.1 -1,-0.2 -9,-0.1 -10,-0.1 -0.623 65.4-124.7 -78.1 118.1 4.9 1.0 -21.9 70 72 A E - 0 0 93 -2,-0.6 2,-0.4 -10,-0.1 -10,-0.2 -0.269 26.4-165.6 -60.8 140.4 6.9 2.6 -19.1 71 73 A Q E -G 59 0A 87 -12,-2.4 -12,-3.0 2,-0.0 2,-0.4 -0.995 5.0-156.4-132.2 138.7 5.1 3.3 -15.8 72 74 A R E -G 58 0A 105 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.955 5.1-170.0-117.8 131.0 6.3 5.5 -12.9 73 75 A E E -G 57 0A 51 -16,-2.3 -16,-2.3 -2,-0.4 -2,-0.0 -0.977 9.6-156.5-120.4 130.6 5.1 5.2 -9.3 74 76 A T + 0 0 111 -2,-0.4 2,-0.9 -18,-0.2 -1,-0.1 0.489 60.7 103.5 -88.9 -3.5 6.1 7.9 -6.8 75 77 A V - 0 0 66 -18,-0.1 -2,-0.1 1,-0.1 -18,-0.1 -0.715 52.7-173.9 -79.4 110.1 5.9 6.2 -3.4 76 78 A F + 0 0 39 -2,-0.9 -1,-0.1 -21,-0.1 -2,-0.1 -0.809 18.7 167.3-113.0 92.9 9.6 5.7 -2.7 77 79 A P + 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.358 42.9 110.3 -87.0 9.0 10.4 3.6 0.5 78 80 A F - 0 0 16 6,-0.0 2,-0.4 -23,-0.0 -2,-0.0 -0.513 45.7-165.9 -87.6 153.5 14.1 3.0 -0.2 79 81 A Q > - 0 0 147 -2,-0.2 3,-1.4 3,-0.1 -57,-0.2 -0.999 28.5-105.6-137.2 137.5 17.1 4.5 1.6 80 82 A K T 3 S+ 0 0 104 -2,-0.4 -57,-0.2 1,-0.2 -55,-0.1 -0.279 102.4 14.7 -61.7 144.9 20.7 4.6 0.6 81 83 A G T 3 S+ 0 0 36 -58,-1.9 -1,-0.2 -59,-0.4 -58,-0.2 0.578 98.4 130.2 67.6 11.1 23.1 2.2 2.4 82 84 A A < - 0 0 23 -3,-1.4 -60,-3.0 -59,-0.3 2,-0.3 -0.728 60.2-122.8-101.8 146.0 20.1 0.2 3.7 83 85 A P E -P 21 0B 90 0, 0.0 2,-0.3 0, 0.0 -62,-0.3 -0.636 38.3-170.9 -80.7 141.8 19.6 -3.6 3.6 84 86 A I E -P 20 0B 24 -64,-3.2 -64,-1.9 -2,-0.3 2,-0.4 -0.932 22.7-157.0-137.5 161.9 16.4 -4.5 1.9 85 87 A E E -P 19 0B 91 -2,-0.3 2,-0.4 -66,-0.2 -66,-0.2 -0.997 14.3-179.4-137.7 128.4 14.1 -7.4 1.3 86 88 A I E -P 18 0B 1 -68,-2.7 -68,-3.6 -2,-0.4 2,-0.5 -0.997 9.6-160.7-133.5 135.2 11.6 -7.6 -1.6 87 89 A T E -PR 17 98B 31 11,-2.0 11,-2.9 -2,-0.4 2,-0.4 -0.970 6.5-159.5-120.1 125.1 9.3 -10.4 -2.5 88 90 A F E +PR 16 97B 1 -72,-3.1 -72,-2.6 -2,-0.5 2,-0.3 -0.869 11.7 178.3-106.4 135.3 7.8 -10.7 -5.9 89 91 A S E - 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