==== 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 13-OCT-93 1HLC . COMPND 2 MOLECULE: HUMAN LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.D.LOBSANOV,M.A.GITT,H.LEFFLER,S.BARONDES,J.M.RINI . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 84.5 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 54.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 . 54 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 . 3 4 5 3 4 2 5 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 . 1 0 0 0 0 0 0 0 0 1 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 4 A E 0 0 166 0, 0.0 116,-0.2 0, 0.0 136,-0.1 0.000 360.0 360.0 360.0 -1.6 25.3 23.0 56.3 2 5 A L - 0 0 24 114,-0.5 114,-2.0 134,-0.1 2,-0.3 -0.213 360.0-165.2 -58.3 148.3 22.9 25.6 57.7 3 6 A E E -AB 115 135A 38 132,-2.8 132,-2.8 112,-0.2 2,-0.3 -0.826 13.4-163.8-146.6 104.9 19.4 24.5 58.4 4 7 A V E -AB 114 134A 0 110,-1.0 110,-1.9 -2,-0.3 2,-0.4 -0.672 23.2-167.8 -82.2 139.7 16.3 26.6 59.0 5 8 A K E +AB 113 133A 70 128,-2.1 128,-2.2 -2,-0.3 108,-0.2 -0.985 52.1 13.5-136.9 143.8 13.6 24.5 60.6 6 9 A N E S+ 0 0 72 106,-0.7 107,-0.2 -2,-0.4 -1,-0.2 0.908 75.3 155.4 63.9 46.5 9.9 24.9 61.2 7 10 A M E - 0 0 13 105,-2.7 2,-0.6 -3,-0.2 -1,-0.2 -0.506 44.7-121.1 -94.4 170.5 9.2 28.0 59.1 8 11 A D E + 0 0 80 -2,-0.2 2,-0.8 2,-0.0 104,-0.2 -0.795 36.4 167.0-117.0 87.0 5.8 28.9 57.7 9 12 A M E +A 111 0A 0 102,-2.5 102,-3.2 -2,-0.6 104,-0.1 -0.880 12.1 179.0-104.9 100.7 5.9 29.1 53.9 10 13 A K > - 0 0 103 -2,-0.8 3,-1.3 100,-0.2 75,-0.2 -0.449 42.4 -73.5 -90.1 167.8 2.4 29.1 52.6 11 14 A P T 3 S+ 0 0 59 0, 0.0 75,-0.2 0, 0.0 -1,-0.1 -0.442 117.6 29.7 -67.1 139.5 1.4 29.4 48.9 12 15 A G T 3 S+ 0 0 42 73,-2.8 74,-0.1 1,-0.4 2,-0.0 0.073 91.0 119.4 102.6 -21.4 1.9 32.8 47.4 13 16 A S < - 0 0 13 -3,-1.3 72,-1.2 72,-0.1 2,-0.4 -0.288 54.1-139.5 -74.7 162.4 4.8 33.8 49.6 14 17 A T E -PQ 84 128B 30 114,-1.4 114,-3.1 70,-0.2 2,-0.5 -0.978 5.3-154.0-129.3 132.4 8.2 34.6 48.3 15 18 A L E -PQ 83 127B 0 68,-2.9 68,-2.1 -2,-0.4 2,-0.6 -0.944 7.9-161.1-108.1 124.1 11.5 33.6 49.8 16 19 A K E -PQ 82 126B 50 110,-2.8 110,-1.8 -2,-0.5 2,-0.6 -0.902 8.8-172.0-110.9 109.7 14.5 35.8 49.0 17 20 A I E -PQ 81 125B 0 64,-2.8 64,-2.6 -2,-0.6 2,-0.4 -0.871 5.4-177.8-108.1 120.1 17.9 34.2 49.6 18 21 A T E +PQ 80 124B 13 106,-2.9 106,-2.0 -2,-0.6 105,-0.5 -0.946 21.9 135.9-116.1 132.6 21.1 36.2 49.4 19 22 A G E -P 79 0B 0 60,-2.2 60,-1.8 -2,-0.4 2,-0.4 -0.955 47.9 -96.0-160.0 177.0 24.5 34.4 49.9 20 23 A S E -PQ 78 121B 41 101,-2.7 101,-2.2 -2,-0.3 2,-0.8 -0.902 23.5-137.5-111.0 137.0 28.0 34.0 48.7 21 24 A I E - Q 0 120B 2 56,-1.9 55,-3.0 -2,-0.4 56,-0.4 -0.822 33.1-119.6 -92.7 109.4 29.2 31.4 46.3 22 25 A A > - 0 0 32 97,-2.3 3,-0.9 -2,-0.8 97,-0.1 -0.140 34.6 -96.2 -49.5 139.4 32.6 30.1 47.6 23 26 A D T 3 S+ 0 0 130 1,-0.2 -1,-0.1 52,-0.2 -3,-0.0 -0.187 103.5 8.0 -56.9 148.5 35.5 30.6 45.3 24 27 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.833 92.4 156.4 44.2 45.3 36.5 27.6 43.2 25 28 A T < - 0 0 30 -3,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.772 47.0-142.2-103.1 148.6 33.4 25.6 44.2 26 29 A D - 0 0 118 -2,-0.3 21,-2.1 1,-0.2 22,-1.9 0.775 68.7 -68.7 -73.0 -32.8 31.8 22.8 42.2 27 30 A G B -C 46 0A 11 19,-0.3 92,-1.6 20,-0.2 2,-0.3 -0.982 45.8-123.6 168.2-166.3 28.3 23.8 43.2 28 31 A F E -D 118 0A 2 17,-1.0 2,-0.4 -2,-0.3 90,-0.3 -0.976 13.8-123.2-161.7 172.2 25.8 24.1 46.0 29 32 A V E -D 117 0A 9 88,-3.7 88,-1.7 -2,-0.3 2,-0.5 -0.970 10.6-171.7-134.8 140.6 22.3 23.1 47.2 30 33 A I E -DE 116 43A 8 13,-2.5 13,-2.4 -2,-0.4 2,-0.4 -0.986 17.9-166.5-127.9 113.3 19.2 24.9 48.4 31 34 A N E -DE 115 42A 2 84,-2.3 84,-1.8 -2,-0.5 2,-0.4 -0.903 9.1-178.8-109.1 136.3 16.5 22.5 49.7 32 35 A L E +DE 114 41A 2 9,-2.0 9,-1.6 -2,-0.4 8,-1.1 -0.989 34.1 91.8-128.9 134.6 12.9 23.5 50.4 33 36 A G E S-DE 113 39A 0 80,-2.2 79,-3.0 -2,-0.4 80,-2.8 -0.951 82.8 -66.8 175.1-153.8 10.4 21.0 51.8 34 37 A Q E S- 0 0 59 4,-1.5 2,-0.3 1,-0.4 -28,-0.2 0.626 103.7 -30.8-101.1 -23.4 8.8 19.7 54.9 35 38 A G E > S- E 0 38A 19 3,-1.5 3,-1.6 78,-0.1 -1,-0.4 -0.955 78.8 -70.8-176.2-179.0 11.9 18.0 56.3 36 39 A T T 3 S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.869 128.8 49.6 -59.6 -40.1 15.2 16.4 55.3 37 40 A D T 3 S+ 0 0 103 1,-0.2 22,-2.6 21,-0.1 -1,-0.3 0.250 112.5 53.1 -83.7 13.8 13.5 13.2 53.9 38 41 A K E < +EF 35 58A 58 -3,-1.6 -4,-1.5 20,-0.2 -3,-1.5 -0.737 61.6 170.2-154.1 94.2 11.0 15.4 52.0 39 42 A L E -EF 33 57A 3 18,-1.7 18,-2.9 -2,-0.3 -6,-0.3 -0.935 13.4-171.8-111.2 107.3 12.5 18.0 49.6 40 43 A N E S+ 0 0 0 -8,-1.1 2,-0.3 -2,-0.6 65,-0.3 0.777 83.3 17.2 -65.6 -29.0 9.8 19.5 47.3 41 44 A L E -E 32 0A 3 -9,-1.6 -9,-2.0 -3,-0.1 2,-0.4 -0.986 61.8-169.1-147.8 134.2 12.6 21.3 45.4 42 45 A H E -EF 31 55A 9 13,-1.2 13,-0.8 -2,-0.3 2,-0.5 -0.855 14.2-166.3-127.9 85.4 16.3 20.5 45.4 43 46 A F E +EF 30 54A 6 -13,-2.4 -13,-2.5 -2,-0.4 11,-0.2 -0.703 14.5 171.4 -77.6 121.2 17.9 23.5 43.6 44 47 A N E - F 0 53A 20 9,-1.0 9,-2.9 -2,-0.5 2,-0.7 -0.788 20.6-162.1-141.2 95.4 21.4 22.5 42.8 45 48 A P E - F 0 52A 0 0, 0.0 -17,-1.0 0, 0.0 2,-0.9 -0.666 10.8-163.2 -76.7 110.1 23.7 24.6 40.5 46 49 A R E >> +CF 27 51A 60 5,-3.1 5,-2.0 -2,-0.7 4,-1.4 -0.850 14.6 179.8 -99.3 101.6 26.6 22.4 39.4 47 50 A F T 45S+ 0 0 37 -21,-2.1 -20,-0.2 -2,-0.9 -1,-0.2 0.884 84.5 59.9 -65.1 -35.2 29.4 24.6 38.1 48 51 A S T 45S+ 0 0 68 -22,-1.9 -1,-0.2 1,-0.2 -21,-0.1 0.954 116.4 28.6 -55.6 -57.9 31.2 21.4 37.4 49 52 A E T 45S- 0 0 97 -23,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.592 108.2-124.6 -81.4 -10.7 28.6 20.0 35.0 50 53 A S T <5S+ 0 0 75 -4,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.985 73.2 99.3 61.4 61.9 27.6 23.5 34.0 51 54 A T E S-FH 38 61A 77 3,-2.3 2,-1.5 -2,-0.4 3,-1.1 -0.726 70.1 -67.8-118.1 77.3 10.5 11.6 48.8 59 62 A G T 3 S- 0 0 23 -22,-2.6 -21,-0.1 -2,-0.6 3,-0.1 -0.597 118.3 -8.0 84.0 -85.6 12.4 9.9 51.5 60 63 A S T 3 S+ 0 0 100 -2,-1.5 2,-0.5 1,-0.1 -1,-0.3 0.616 120.2 74.5-119.5 -23.6 14.9 7.8 49.8 61 64 A N E < -H 58 0A 96 -3,-1.1 -3,-2.3 0, 0.0 2,-0.2 -0.857 66.6-144.3-105.5 128.6 14.0 8.1 46.1 62 65 A W E -H 57 0A 118 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.474 22.2-123.7 -78.7 157.9 14.7 11.1 44.0 63 66 A G - 0 0 28 -7,-1.7 -1,-0.1 1,-0.2 2,-0.0 -0.220 54.3 -50.5 -91.2-173.4 12.1 12.0 41.4 64 67 A Q - 0 0 162 1,-0.1 2,-0.4 -2,-0.1 -8,-0.2 -0.389 66.5-117.3 -60.6 136.4 12.9 12.5 37.7 65 68 A E - 0 0 84 -10,-0.1 2,-0.3 -3,-0.1 -10,-0.2 -0.669 27.4-164.2 -83.7 124.4 15.8 14.8 37.3 66 69 A Q E -G 54 0A 84 -12,-2.1 -12,-2.0 -2,-0.4 2,-0.4 -0.828 8.2-160.9-105.6 144.8 15.3 18.1 35.4 67 70 A R E -G 53 0A 99 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.991 14.4-169.3-134.5 139.4 18.2 20.2 34.1 68 71 A E E -G 52 0A 72 -16,-1.8 -16,-1.8 -2,-0.4 2,-1.3 -0.978 11.1-158.7-128.4 117.4 18.8 23.8 33.1 69 72 A D + 0 0 131 -2,-0.5 -18,-0.1 -18,-0.2 -16,-0.0 -0.436 63.7 107.8 -89.6 55.6 22.0 24.8 31.3 70 73 A H + 0 0 41 -2,-1.3 2,-1.3 28,-0.0 -1,-0.2 -0.489 31.3 152.7-130.7 59.8 21.6 28.4 32.3 71 74 A L + 0 0 36 -21,-0.1 2,-0.2 1,-0.1 -2,-0.0 -0.719 10.3 158.0 -90.3 80.9 24.3 28.8 34.9 72 75 A C + 0 0 77 -2,-1.3 2,-0.3 2,-0.0 -1,-0.1 -0.316 44.2 73.4-106.2 49.3 25.0 32.5 34.4 73 76 A F - 0 0 17 -2,-0.2 6,-0.0 22,-0.0 23,-0.0 -0.958 65.1-142.7-150.1 155.8 26.5 33.5 37.7 74 77 A S > - 0 0 75 -2,-0.3 3,-0.6 1,-0.1 -53,-0.3 -0.708 20.1 -97.7-126.2 168.6 30.0 32.9 39.2 75 78 A P T 3 S+ 0 0 42 0, 0.0 -53,-0.2 0, 0.0 -52,-0.2 -0.409 102.1 49.2 -73.7 164.7 31.8 32.1 42.4 76 79 A G T 3 S+ 0 0 55 -55,-3.0 2,-0.3 1,-0.3 -54,-0.1 0.452 96.8 95.1 83.7 -2.9 33.4 35.0 44.3 77 80 A S S < S- 0 0 45 -3,-0.6 -56,-1.9 -56,-0.4 2,-0.6 -0.909 72.4-133.2-122.7 148.9 30.2 36.9 44.0 78 81 A E E +P 20 0B 77 -2,-0.3 -58,-0.2 -58,-0.2 2,-0.2 -0.931 38.0 171.1-100.1 122.4 27.3 37.3 46.4 79 82 A V E -P 19 0B 14 -60,-1.8 -60,-2.2 -2,-0.6 2,-0.4 -0.669 24.7-127.8-122.7 179.4 24.0 36.8 44.6 80 83 A K E -P 18 0B 87 -62,-0.2 2,-0.4 -2,-0.2 -62,-0.2 -0.997 9.5-162.1-139.8 135.0 20.3 36.4 45.4 81 84 A F E -P 17 0B 2 -64,-2.6 -64,-2.8 -2,-0.4 2,-0.6 -0.905 5.6-159.8-112.4 137.9 17.7 33.8 44.4 82 85 A T E -PR 16 93B 24 11,-1.6 11,-2.5 -2,-0.4 2,-0.5 -0.954 12.3-179.1-121.3 105.1 14.0 34.6 44.8 83 86 A V E -PR 15 92B 6 -68,-2.1 -68,-2.9 -2,-0.6 2,-0.5 -0.935 9.3-161.0-106.7 126.2 11.9 31.4 44.9 84 87 A T E -PR 14 91B 31 7,-1.7 7,-1.7 -2,-0.5 2,-0.3 -0.951 13.5-137.9-110.0 121.3 8.2 31.8 45.1 85 88 A F + 0 0 0 -72,-1.2 -73,-2.8 -2,-0.5 2,-0.4 -0.636 26.1 171.0 -79.2 134.5 6.2 28.9 46.3 86 89 A E > - 0 0 57 -2,-0.3 3,-0.5 -75,-0.2 18,-0.1 -0.994 41.7-121.7-144.9 133.9 2.9 28.0 44.7 87 90 A S T 3 S+ 0 0 70 -2,-0.4 20,-0.2 1,-0.3 -1,-0.1 0.876 116.1 43.3 -39.0 -49.7 0.8 24.9 45.2 88 91 A D T 3 S- 0 0 102 1,-0.2 16,-1.6 15,-0.1 2,-0.3 0.834 130.4 -31.1 -70.7 -32.2 1.1 24.1 41.5 89 92 A K E < -Z 103 0C 70 -3,-0.5 2,-0.3 14,-0.3 -1,-0.2 -0.965 54.4-104.4-179.1 164.2 4.8 24.9 41.2 90 93 A F E -Z 102 0C 0 12,-3.2 12,-2.4 -2,-0.3 2,-0.6 -0.772 19.5-156.2-102.7 143.2 7.9 26.9 42.2 91 94 A K E -R 84 0B 48 -7,-1.7 -7,-1.7 -2,-0.3 2,-0.5 -0.932 9.3-163.9-123.0 106.2 9.4 29.8 40.2 92 95 A V E -R 83 0B 5 -2,-0.6 8,-2.7 8,-0.3 2,-0.7 -0.772 7.7-150.6 -88.9 127.1 13.0 30.4 41.0 93 96 A K E -RS 82 99B 115 -11,-2.5 -11,-1.6 -2,-0.5 6,-0.2 -0.898 14.4-144.1-103.3 111.0 14.4 33.7 39.8 94 97 A L > - 0 0 4 4,-2.3 3,-2.2 -2,-0.7 -13,-0.1 -0.406 26.3-106.8 -67.0 155.5 18.1 33.5 39.0 95 98 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -14,-0.1 0.674 118.8 58.9 -59.1 -20.6 20.3 36.5 39.8 96 99 A D T 3 S- 0 0 68 2,-0.2 3,-0.1 -23,-0.0 -2,-0.1 0.257 123.6-100.8 -93.2 10.7 20.6 37.3 36.1 97 100 A G S < S+ 0 0 51 -3,-2.2 2,-0.4 1,-0.2 -1,-0.0 0.083 78.6 134.6 96.3 -22.8 16.8 37.7 35.8 98 101 A H - 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