==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER S-LECTIN 06-NOV-96 1GAN . COMPND 2 MOLECULE: GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BUFO ARENARUM; . AUTHOR L.M.AMZEL,M.A.BIANCHET,H.AHMED,G.R.VASTA . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 74.6 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 . 146 54.5 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 . 29 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 5.6 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 . 1 3 4 1 6 2 1 5 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 0 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 1 A A > 0 0 78 0, 0.0 3,-0.6 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 -78.8 54.4 23.6 80.6 2 2 A S T 3 - 0 0 130 1,-0.4 2,-0.4 2,-0.1 3,-0.0 0.986 360.0 -3.9 -57.3 -55.9 57.6 23.7 82.5 3 3 A A T 3 S+ 0 0 16 124,-0.1 122,-1.6 1,-0.1 123,-0.6 -0.878 110.8 110.4-136.8 88.9 55.7 21.7 85.1 4 4 A G < + 0 0 12 -3,-0.6 120,-0.1 -2,-0.4 123,-0.1 -0.048 35.8 178.8-167.3 62.3 52.2 21.5 83.8 5 5 A V - 0 0 8 121,-0.4 118,-2.0 140,-0.1 2,-0.4 -0.237 13.9-156.6 -62.3 149.0 50.7 18.2 82.5 6 6 A A E -AB 122 143A 12 137,-1.6 137,-2.1 116,-0.2 2,-0.5 -0.999 3.1-161.0-134.3 130.7 47.1 18.3 81.3 7 7 A V E -AB 121 142A 2 114,-3.7 114,-2.4 -2,-0.4 2,-0.4 -0.949 7.8-172.4-114.8 130.1 44.8 15.3 81.2 8 8 A T E +AB 120 141A 51 133,-2.1 133,-2.1 -2,-0.5 112,-0.2 -0.951 69.3 29.4-122.0 148.0 41.7 15.3 79.1 9 9 A N E + 0 0 89 110,-0.8 111,-0.2 -2,-0.4 -1,-0.2 0.816 69.8 153.4 69.9 36.8 39.0 12.6 79.1 10 10 A L E - 0 0 7 109,-3.2 110,-0.1 -3,-0.2 130,-0.1 0.873 31.3-162.9 -59.9 -43.9 39.8 11.9 82.7 11 11 A N E + 0 0 94 1,-0.2 2,-0.7 107,-0.1 -1,-0.1 0.897 15.7 175.2 59.2 47.3 36.2 10.7 83.1 12 12 A L E -A 118 0A 4 106,-2.4 106,-2.5 4,-0.1 -1,-0.2 -0.761 9.5-168.8 -87.6 116.3 36.3 11.0 86.9 13 13 A K > - 0 0 96 -2,-0.7 3,-1.3 104,-0.3 79,-0.2 -0.656 33.4 -71.9-105.4 160.4 32.8 10.1 88.2 14 14 A P T 3 S+ 0 0 48 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.199 118.2 29.7 -52.2 138.1 31.2 10.5 91.6 15 15 A G T 3 S+ 0 0 56 77,-3.9 2,-0.3 1,-0.4 78,-0.2 0.547 104.7 95.8 90.2 6.1 32.4 8.1 94.2 16 16 A H E < -N 92 0B 82 -3,-1.3 76,-2.6 76,-0.7 -1,-0.4 -0.768 54.8-154.6-122.5 172.6 35.8 7.8 92.6 17 17 A C E -N 91 0B 37 117,-1.9 117,-1.7 -2,-0.3 2,-0.4 -0.963 10.0-146.4-147.4 164.0 39.2 9.5 93.2 18 18 A V E -NO 90 133B 0 72,-1.9 72,-2.2 -2,-0.3 2,-0.4 -0.992 13.5-154.1-132.3 131.4 42.4 10.4 91.5 19 19 A E E -NO 89 132B 46 113,-3.1 113,-1.9 -2,-0.4 2,-0.4 -0.938 7.8-158.4-109.9 133.4 45.8 10.5 93.3 20 20 A I E -NO 88 131B 1 68,-2.9 68,-1.9 -2,-0.4 2,-0.5 -0.937 5.5-168.4-113.6 135.5 48.6 12.7 92.0 21 21 A K E +NO 87 130B 72 109,-2.1 108,-2.9 -2,-0.4 109,-1.8 -0.983 26.0 143.3-121.1 126.9 52.3 12.2 92.8 22 22 A G E -NO 86 128B 0 64,-2.3 64,-2.3 -2,-0.5 2,-0.4 -0.869 41.4-121.0-148.7-176.9 54.7 15.0 92.0 23 23 A S E -NO 85 127B 29 104,-1.4 104,-2.8 -2,-0.3 62,-0.2 -0.988 26.5-123.3-134.7 142.4 57.8 16.8 93.1 24 24 A I - 0 0 5 60,-2.7 59,-1.3 -2,-0.4 102,-0.1 -0.790 23.1-126.6 -96.4 115.8 58.0 20.5 93.9 25 25 A P > - 0 0 34 0, 0.0 3,-1.6 0, 0.0 58,-0.3 -0.213 17.6-127.5 -52.6 143.6 60.6 22.6 92.0 26 26 A P T 3 S+ 0 0 93 0, 0.0 56,-0.1 0, 0.0 58,-0.0 0.833 110.0 54.7 -66.9 -28.5 63.0 24.5 94.3 27 27 A D T 3 S+ 0 0 151 2,-0.0 2,-0.5 56,-0.0 55,-0.0 0.119 85.2 122.4 -89.7 20.3 62.2 27.8 92.5 28 28 A C < - 0 0 10 -3,-1.6 3,-0.1 1,-0.1 54,-0.1 -0.777 43.0-172.9 -96.1 122.3 58.4 27.3 93.0 29 29 A K S S- 0 0 139 -2,-0.5 21,-2.0 1,-0.3 22,-1.7 0.473 76.3 -30.7 -82.5 -8.7 56.3 29.9 94.8 30 30 A G E -C 49 0A 16 19,-0.3 2,-0.3 20,-0.2 -1,-0.3 -0.899 56.7-134.3 166.4 165.1 53.3 27.5 94.7 31 31 A F E -C 48 0A 3 17,-1.8 17,-2.4 -2,-0.3 2,-0.3 -0.967 14.7-155.9-139.8 155.4 51.7 24.7 92.8 32 32 A A E -CD 47 124A 2 92,-2.4 92,-2.4 -2,-0.3 2,-0.4 -0.977 10.5-159.8-136.5 148.8 48.1 24.0 91.7 33 33 A V E -CD 46 123A 1 13,-1.9 13,-3.2 -2,-0.3 2,-0.4 -0.993 20.1-162.6-122.4 128.6 46.0 21.0 90.8 34 34 A N E -CD 45 122A 0 88,-3.2 88,-1.8 -2,-0.4 2,-0.4 -0.960 9.7-173.3-118.4 134.9 42.9 21.9 88.8 35 35 A L E +CD 44 121A 1 9,-3.1 8,-2.4 -2,-0.4 9,-2.2 -0.994 36.7 91.9-125.4 128.3 39.8 19.6 88.3 36 36 A G E S-CD 42 120A 0 84,-2.5 84,-2.6 -2,-0.4 6,-0.2 -0.923 79.0 -66.0-177.7-156.7 37.1 20.7 85.9 37 37 A E E S- 0 0 84 4,-1.9 2,-0.3 1,-0.4 5,-0.1 0.801 100.3 -31.2 -91.4 -36.7 35.4 20.7 82.5 38 38 A D E > S-C 41 0A 68 3,-1.2 3,-1.8 82,-0.1 -1,-0.4 -0.943 84.1 -63.5-167.5-178.2 38.1 22.7 80.5 39 39 A A T 3 S+ 0 0 62 -2,-0.3 3,-0.1 1,-0.3 83,-0.0 0.525 130.4 43.5 -62.8 -4.6 40.7 25.4 81.0 40 40 A S T 3 S+ 0 0 34 1,-0.2 27,-2.4 24,-0.1 2,-0.4 0.414 108.8 57.8-117.6 -3.4 38.0 28.0 81.9 41 41 A N E < +C 38 0A 37 -3,-1.8 -4,-1.9 24,-0.2 -3,-1.2 -0.899 60.8 175.4-135.2 107.2 35.8 26.0 84.2 42 42 A F E -CE 36 64A 14 22,-1.7 22,-2.8 -2,-0.4 -6,-0.3 -0.938 22.3-168.6-114.3 130.7 37.2 24.4 87.3 43 43 A L E S+ 0 0 10 -8,-2.4 2,-0.4 -2,-0.4 69,-0.3 0.866 89.9 14.5 -77.9 -38.8 35.2 22.6 89.9 44 44 A L E -C 35 0A 0 -9,-2.2 -9,-3.1 -3,-0.1 2,-0.5 -0.998 58.5-176.0-142.4 130.6 38.3 22.7 92.1 45 45 A H E -CE 34 62A 15 17,-2.3 17,-2.0 -2,-0.4 2,-0.7 -0.993 15.4-165.3-122.6 109.0 41.5 24.7 91.9 46 46 A F E -CE 33 61A 0 -13,-3.2 -13,-1.9 -2,-0.5 2,-0.6 -0.928 9.6-177.1-100.4 110.2 43.8 23.5 94.7 47 47 A N E -CE 32 60A 12 13,-3.1 13,-2.6 -2,-0.7 2,-0.8 -0.893 14.3-164.3-118.3 106.3 46.6 26.1 95.1 48 48 A A E -CE 31 59A 0 -17,-2.4 -17,-1.8 -2,-0.6 2,-0.5 -0.793 17.0-162.1 -88.2 113.6 49.4 25.5 97.7 49 49 A R E +CE 30 58A 20 9,-3.0 9,-1.7 -2,-0.8 8,-0.4 -0.865 25.0 173.9-104.7 121.1 51.2 28.8 98.1 50 50 A F E S- 0 0 12 -21,-2.0 7,-0.7 -2,-0.5 -20,-0.2 0.872 91.2 -16.5 -83.7 -43.5 54.6 29.0 99.6 51 51 A D E S+ E 0 56A 106 -22,-1.7 2,-0.3 5,-0.2 5,-0.2 -0.584 98.0 134.6-163.8 86.9 54.9 32.8 99.0 52 52 A L E > S- E 0 55A 31 3,-2.6 3,-2.9 -2,-0.1 6,-0.1 -0.987 70.3 -12.8-149.2 132.8 52.3 33.9 96.4 53 53 A H T 3 S- 0 0 144 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.790 128.7 -52.3 49.9 27.9 49.9 36.8 96.2 54 54 A G T 3 S+ 0 0 63 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.253 112.7 119.4 96.9 -18.5 50.6 37.6 99.8 55 55 A D E < -E 52 0A 6 -3,-2.9 -3,-2.6 3,-0.1 2,-0.5 -0.694 43.5-167.2 -85.3 133.1 49.9 34.1 101.0 56 56 A V E S-E 51 0A 79 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.2 -0.995 73.3 -15.2-123.2 119.4 52.8 32.4 102.8 57 57 A N E S+ 0 0 83 -7,-0.7 2,-0.4 -2,-0.5 -7,-0.2 0.852 102.9 134.2 55.5 46.1 52.4 28.7 103.4 58 58 A K E -E 49 0A 85 -9,-1.7 -9,-3.0 -6,-0.1 2,-0.5 -0.944 53.0-136.2-128.8 143.2 48.7 28.7 102.7 59 59 A I E -EF 48 75A 0 16,-1.2 16,-2.0 -2,-0.4 2,-0.5 -0.864 20.3-168.6 -98.5 122.2 46.4 26.5 100.7 60 60 A V E -EF 47 74A 0 -13,-2.6 -13,-3.1 -2,-0.5 2,-0.4 -0.979 3.1-172.0-112.8 128.3 43.8 28.4 98.7 61 61 A C E +EF 46 73A 0 12,-2.9 12,-2.8 -2,-0.5 2,-0.3 -0.956 16.6 148.0-119.6 140.5 41.0 26.5 97.1 62 62 A N E -E 45 0A 3 -17,-2.0 -17,-2.3 -2,-0.4 2,-0.3 -0.947 36.4-123.6-160.5 172.0 38.5 28.0 94.7 63 63 A S E - 0 0 17 -2,-0.3 7,-2.7 -19,-0.2 2,-0.4 -0.771 19.7-145.2-118.5 164.6 36.3 27.2 91.7 64 64 A K E -EG 42 69A 21 -22,-2.8 -22,-1.7 -2,-0.3 2,-0.5 -0.994 12.8-176.1-136.5 130.5 36.4 28.9 88.3 65 65 A E E > S- G 0 68A 137 3,-2.3 3,-1.7 -2,-0.4 -24,-0.2 -0.978 76.5 -18.9-128.9 114.7 33.4 29.5 86.0 66 66 A A T 3 S- 0 0 71 -2,-0.5 -25,-0.2 -26,-0.4 -1,-0.1 0.907 126.0 -55.0 57.8 43.1 33.9 31.1 82.6 67 67 A D T 3 S+ 0 0 97 -27,-2.4 2,-0.6 1,-0.2 -1,-0.3 0.552 113.1 118.4 65.4 12.0 37.3 32.4 83.7 68 68 A A E < -G 65 0A 62 -3,-1.7 -3,-2.3 -28,-0.3 -1,-0.2 -0.938 64.1-129.5-112.0 118.3 35.9 34.2 86.7 69 69 A W E -G 64 0A 129 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.381 23.0-142.6 -65.0 142.8 37.3 32.9 90.0 70 70 A G - 0 0 34 -7,-2.7 2,-0.6 1,-0.2 -1,-0.1 0.206 44.7 -43.2 -87.7-153.8 34.8 32.0 92.7 71 71 A S - 0 0 89 1,-0.0 -1,-0.2 -9,-0.0 -8,-0.1 -0.713 64.1-130.3 -80.1 117.7 34.7 32.4 96.5 72 72 A E - 0 0 94 -2,-0.6 2,-0.4 -10,-0.1 -10,-0.2 -0.380 17.5-161.3 -68.6 147.9 38.1 31.5 97.9 73 73 A Q E -F 61 0A 55 -12,-2.8 -12,-2.9 -2,-0.1 2,-0.4 -0.991 9.1-158.0-128.1 131.2 38.4 29.0 100.8 74 74 A R E -F 60 0A 100 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.895 1.4-155.6-114.8 149.3 41.6 29.0 102.7 75 75 A E E -F 59 0A 50 -16,-2.0 -16,-1.2 -2,-0.4 32,-0.0 -0.954 15.1-145.6-124.1 146.2 43.0 26.2 104.9 76 76 A G S S+ 0 0 75 -2,-0.3 -1,-0.1 -18,-0.1 2,-0.0 0.877 74.3 88.3 -75.7 -41.1 45.5 26.2 107.8 77 77 A V + 0 0 57 29,-0.1 -18,-0.2 -19,-0.1 -2,-0.1 -0.301 45.1 170.4 -61.3 140.5 47.2 22.9 107.2 78 78 A F + 0 0 37 -20,-0.1 2,-0.6 -30,-0.0 -1,-0.1 -0.615 6.4 172.5-153.8 83.5 50.3 23.0 104.9 79 79 A P + 0 0 47 0, 0.0 2,-0.4 0, 0.0 24,-0.1 -0.175 46.5 107.4 -88.5 44.9 52.2 19.7 104.9 80 80 A F - 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