==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE-BINDING PROTEIN 25-JUL-12 4GA9 . COMPND 2 MOLECULE: GALECTIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR O.SEGEV,J.A.HIRSCH . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 75.7 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 . 143 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 . 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 . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.0 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+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 . 2 2 4 4 4 5 1 2 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 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 2 A A 0 0 98 0, 0.0 122,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 85.1 -5.5 13.7 -9.8 2 3 A C + 0 0 116 2,-0.1 121,-0.1 122,-0.0 3,-0.1 0.622 360.0 84.7-106.5 -20.0 -4.9 17.0 -8.0 3 4 A G S S- 0 0 18 119,-0.6 141,-0.1 1,-0.2 139,-0.1 -0.111 96.1 -52.4 -78.1 178.2 -8.5 18.0 -7.2 4 5 A L - 0 0 18 140,-0.1 118,-2.5 117,-0.1 2,-0.4 -0.209 51.3-164.2 -52.9 132.5 -10.7 16.9 -4.3 5 6 A V E -AB 121 142A 24 137,-2.6 137,-2.8 116,-0.2 2,-0.4 -0.993 7.6-175.3-122.0 126.8 -11.0 13.2 -3.8 6 7 A A E +AB 120 141A 4 114,-3.5 114,-2.8 -2,-0.4 2,-0.3 -0.973 3.5 180.0-125.5 135.3 -13.8 11.8 -1.6 7 8 A S E +AB 119 140A 43 133,-2.8 133,-2.6 -2,-0.4 112,-0.2 -0.858 61.7 44.6-128.5 168.5 -14.4 8.3 -0.5 8 9 A N E + 0 0 62 110,-1.0 111,-0.2 -2,-0.3 -1,-0.1 0.793 65.4 150.0 63.4 33.0 -17.1 6.6 1.7 9 10 A L E - 0 0 16 109,-1.7 109,-0.2 -3,-0.2 130,-0.1 0.839 32.5-163.4 -59.1 -37.5 -19.8 8.7 -0.2 10 11 A N E + 0 0 72 1,-0.2 2,-0.5 128,-0.1 108,-0.2 0.832 17.1 175.4 47.4 41.2 -22.5 6.0 0.2 11 12 A L E -A 117 0A 1 106,-2.7 106,-2.5 3,-0.0 -1,-0.2 -0.651 11.6-161.4 -74.3 124.2 -24.6 7.6 -2.5 12 13 A K > - 0 0 102 -2,-0.5 3,-1.8 104,-0.2 79,-0.3 -0.602 33.0 -69.8-104.5 165.0 -27.6 5.3 -3.1 13 14 A P T 3 S+ 0 0 70 0, 0.0 79,-0.2 0, 0.0 -1,-0.1 -0.243 118.7 18.6 -57.1 139.8 -30.0 5.1 -6.1 14 15 A G T 3 S+ 0 0 47 77,-2.1 2,-0.4 1,-0.3 78,-0.1 0.182 94.0 118.5 87.8 -16.9 -32.3 8.2 -6.4 15 16 A E < - 0 0 59 -3,-1.8 2,-0.4 76,-0.2 -1,-0.3 -0.699 61.4-130.4 -86.6 133.6 -30.2 10.4 -4.2 16 17 A C - 0 0 26 -2,-0.4 118,-1.6 74,-0.1 2,-0.6 -0.677 10.4-155.2 -90.1 130.7 -28.8 13.5 -6.0 17 18 A L E -PQ 89 133B 0 72,-3.2 72,-2.2 -2,-0.4 2,-0.5 -0.921 13.9-162.7-102.0 114.7 -25.1 14.5 -5.7 18 19 A K E -PQ 88 132B 100 114,-2.6 114,-2.6 -2,-0.6 2,-0.5 -0.856 8.2-176.6-104.9 123.7 -24.7 18.2 -6.3 19 20 A V E -PQ 87 131B 2 68,-2.8 68,-2.6 -2,-0.5 2,-0.4 -0.976 1.6-179.5-125.8 123.4 -21.2 19.5 -7.2 20 21 A R E +PQ 86 130B 117 110,-2.8 109,-3.2 -2,-0.5 110,-2.1 -0.941 16.6 142.5-123.5 141.1 -20.5 23.2 -7.6 21 22 A G E -PQ 85 128B 0 64,-2.4 64,-2.4 -2,-0.4 2,-0.5 -0.970 45.1 -86.0-166.0-179.0 -17.2 24.8 -8.5 22 23 A E E -PQ 84 127B 82 105,-2.7 105,-1.9 -2,-0.3 2,-0.4 -0.879 29.1-144.4-109.3 123.3 -15.0 27.3 -10.3 23 24 A L E - Q 0 126B 5 60,-2.8 59,-0.8 -2,-0.5 103,-0.2 -0.720 32.5-107.6 -84.4 131.3 -13.8 26.9 -13.8 24 25 A A > - 0 0 26 101,-2.7 3,-1.6 -2,-0.4 58,-1.2 -0.101 25.3-113.8 -52.6 152.0 -10.3 28.2 -14.4 25 26 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.795 119.9 32.2 -60.4 -27.7 -10.0 31.5 -16.5 26 27 A D T 3 S+ 0 0 107 56,-0.0 -2,-0.1 99,-0.0 99,-0.0 -0.100 89.4 171.8-118.2 31.9 -8.2 29.5 -19.2 27 28 A A < + 0 0 4 -3,-1.6 3,-0.1 1,-0.1 -4,-0.0 -0.082 14.5 168.8 -47.4 132.9 -10.0 26.2 -18.7 28 29 A K - 0 0 103 1,-0.5 22,-2.2 21,-0.1 21,-1.5 0.621 67.6 -10.3-113.5 -29.2 -9.3 23.5 -21.3 29 30 A S B -C 48 0A 20 19,-0.3 96,-3.1 20,-0.2 -1,-0.5 -0.954 57.2-170.2-167.4 142.5 -10.9 20.5 -19.7 30 31 A F E -D 124 0A 0 17,-1.9 2,-0.4 -2,-0.3 94,-0.3 -0.982 10.0-152.0-142.1 160.6 -12.3 19.4 -16.3 31 32 A V E -D 123 0A 9 92,-3.0 92,-2.1 -2,-0.3 2,-0.4 -0.984 15.2-170.7-136.2 136.2 -13.4 16.1 -14.9 32 33 A L E -DE 122 45A 2 13,-2.5 13,-3.1 -2,-0.4 2,-0.4 -0.995 19.9-167.6-118.5 122.3 -15.8 14.7 -12.3 33 34 A N E +DE 121 44A 26 88,-3.0 88,-1.9 -2,-0.4 2,-0.3 -0.926 7.0 179.5-110.2 133.2 -15.2 10.9 -11.6 34 35 A L E +DE 120 43A 2 9,-3.0 9,-2.0 -2,-0.4 8,-0.9 -0.972 28.2 80.1-130.0 147.9 -17.7 8.8 -9.7 35 36 A G E S-DE 119 41A 0 84,-2.0 84,-2.2 -2,-0.3 83,-1.6 -0.987 85.5 -47.4 163.1-148.7 -17.6 5.1 -8.8 36 37 A K E S- 0 0 143 4,-2.1 2,-0.3 1,-0.3 5,-0.1 0.850 109.2 -27.6 -85.1 -43.2 -16.3 2.5 -6.4 37 38 A D E > S- E 0 40A 46 3,-1.2 3,-1.5 82,-0.1 -1,-0.3 -0.907 81.1 -71.5-161.7-178.2 -12.6 3.6 -6.5 38 39 A S T 3 S+ 0 0 63 1,-0.3 3,-0.1 -2,-0.3 28,-0.0 0.729 129.9 42.4 -64.1 -23.1 -10.1 5.4 -8.8 39 40 A N T 3 S+ 0 0 80 1,-0.2 27,-2.6 26,-0.1 2,-0.4 0.445 111.2 58.5 -98.9 -2.1 -9.8 2.4 -11.2 40 41 A N E < +E 37 0A 32 -3,-1.5 -4,-2.1 25,-0.2 -3,-1.2 -0.831 67.4 170.8-135.5 93.5 -13.6 1.5 -11.2 41 42 A L E -EF 35 63A 2 22,-2.1 22,-2.2 -2,-0.4 -6,-0.3 -0.909 29.2-173.7-116.0 124.4 -15.8 4.4 -12.5 42 43 A C E S+ 0 0 2 -8,-0.9 2,-0.3 -2,-0.5 69,-0.3 0.743 89.3 27.7 -77.1 -25.4 -19.5 4.3 -13.3 43 44 A L E +E 34 0A 0 -9,-2.0 -9,-3.0 20,-0.1 2,-0.6 -0.902 52.7 176.7-145.7 116.1 -19.1 7.9 -14.5 44 45 A H E -EF 33 61A 18 17,-2.7 17,-1.7 -2,-0.3 2,-0.7 -0.967 21.9-168.1-105.9 106.0 -16.1 9.8 -15.9 45 46 A F E +EF 32 60A 0 -13,-3.1 -13,-2.5 -2,-0.6 15,-0.2 -0.893 11.2 173.2-105.1 108.9 -17.7 13.1 -16.8 46 47 A N E - F 0 59A 5 13,-2.6 13,-2.7 -2,-0.7 2,-0.5 -0.771 16.7-168.6-130.6 82.4 -15.3 15.2 -18.9 47 48 A P E - F 0 58A 0 0, 0.0 -17,-1.9 0, 0.0 2,-0.6 -0.620 16.5-159.5 -63.2 120.6 -16.4 18.5 -20.4 48 49 A R E +CF 29 57A 20 9,-3.2 9,-2.4 -2,-0.5 -19,-0.3 -0.936 23.0 179.2-111.3 112.4 -13.7 19.4 -22.9 49 50 A F E S- 0 0 17 -21,-1.5 7,-2.0 -2,-0.6 -20,-0.2 0.938 91.4 -20.7 -69.6 -50.1 -13.4 23.1 -24.0 50 51 A N E S+ F 0 55A 106 -22,-2.2 2,-0.3 5,-0.2 -1,-0.2 -0.650 100.1 124.7-159.6 96.3 -10.4 22.1 -26.2 51 52 A A E > + F 0 54A 16 3,-2.2 3,-2.3 -3,-0.2 -3,-0.1 -0.969 67.6 3.0-155.5 143.0 -8.7 18.8 -25.2 52 53 A H T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -4,-0.0 0.737 128.6 -54.1 56.3 28.5 -7.8 15.5 -26.9 53 54 A G T 3 S+ 0 0 79 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.348 114.4 114.0 88.2 -5.7 -9.1 16.7 -30.3 54 55 A D E < -F 51 0A 22 -3,-2.3 -3,-2.2 3,-0.1 2,-0.4 -0.816 48.5-160.9 -97.4 139.5 -12.6 17.6 -28.9 55 56 A A E S-F 50 0A 59 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.2 -0.981 71.8 -16.6-118.3 132.6 -13.8 21.2 -28.8 56 57 A N E S+ 0 0 97 -7,-2.0 2,-0.4 -2,-0.4 -7,-0.2 0.858 101.0 133.9 44.5 51.6 -16.7 22.3 -26.6 57 58 A T E -F 48 0A 27 -9,-2.4 -9,-3.2 -3,-0.1 2,-0.6 -0.994 55.5-135.8-134.9 133.1 -17.8 18.7 -26.1 58 59 A I E -FG 47 74A 0 16,-1.4 16,-2.2 -2,-0.4 2,-0.5 -0.821 24.2-166.0 -84.7 120.6 -18.8 16.6 -23.0 59 60 A V E -FG 46 73A 1 -13,-2.7 -13,-2.6 -2,-0.6 2,-0.4 -0.934 5.4-172.6-109.0 126.9 -17.1 13.2 -23.1 60 61 A C E +FG 45 72A 0 12,-3.0 12,-2.3 -2,-0.5 2,-0.3 -0.931 11.2 157.5-117.7 145.2 -18.4 10.5 -20.7 61 62 A N E -F 44 0A 4 -17,-1.7 -17,-2.7 -2,-0.4 2,-0.3 -0.965 32.1-126.4-151.7 168.9 -17.0 7.1 -20.1 62 63 A S E - 0 0 7 -2,-0.3 7,-2.6 -19,-0.2 2,-0.4 -0.775 17.5-148.7-108.0 164.5 -16.8 4.2 -17.6 63 64 A K E -FH 41 68A 40 -22,-2.2 -22,-2.1 -2,-0.3 2,-0.7 -0.953 8.1-167.0-138.8 115.6 -13.6 2.7 -16.3 64 65 A D E > S- H 0 67A 93 3,-2.9 3,-2.0 -2,-0.4 -24,-0.2 -0.909 74.9 -30.1-110.0 109.9 -13.6 -1.0 -15.5 65 66 A D T 3 S- 0 0 123 -2,-0.7 -25,-0.2 1,-0.3 -1,-0.2 0.846 129.2 -42.7 50.4 41.4 -10.5 -2.1 -13.5 66 67 A G T 3 S+ 0 0 32 -27,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.217 116.4 112.4 94.9 -14.1 -8.4 0.6 -15.1 67 68 A T E < -H 64 0A 100 -3,-2.0 -3,-2.9 -28,-0.2 -1,-0.2 -0.838 64.0-131.0 -99.7 124.5 -9.7 0.1 -18.7 68 69 A W E -H 63 0A 115 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.389 20.3-143.6 -65.7 143.4 -11.8 2.8 -20.3 69 70 A G - 0 0 33 -7,-2.6 2,-0.4 1,-0.1 -1,-0.1 0.007 44.5 -55.3 -86.6-158.0 -15.1 1.7 -21.9 70 71 A T - 0 0 105 1,-0.1 -1,-0.1 -9,-0.0 -8,-0.1 -0.718 63.7-115.3 -88.6 134.6 -16.7 3.2 -25.1 71 72 A E - 0 0 90 -2,-0.4 2,-0.4 -10,-0.1 -10,-0.2 -0.231 19.7-157.5 -72.0 152.5 -17.2 6.9 -25.0 72 73 A Q E -G 60 0A 49 -12,-2.3 -12,-3.0 2,-0.0 2,-0.4 -0.998 12.4-157.7-124.2 131.4 -20.4 8.8 -25.2 73 74 A R E -G 59 0A 109 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.910 3.4-155.6-112.9 142.0 -20.5 12.5 -26.4 74 75 A E E -G 58 0A 43 -16,-2.2 -16,-1.4 -2,-0.4 32,-0.0 -0.943 7.1-151.5-113.4 140.3 -23.0 15.2 -25.7 75 76 A T S S+ 0 0 137 -2,-0.4 -1,-0.1 -18,-0.1 0, 0.0 0.941 72.1 78.8 -74.9 -55.1 -23.5 18.2 -28.0 76 77 A A - 0 0 33 1,-0.1 -18,-0.3 -19,-0.1 -2,-0.1 -0.291 58.4-168.8 -58.6 143.6 -24.8 21.0 -25.6 77 78 A F + 0 0 36 -20,-0.1 2,-2.1 -30,-0.0 -1,-0.1 -0.615 9.1 179.0-139.9 74.5 -21.9 22.6 -23.7 78 79 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.211 47.8 103.9 -78.2 50.8 -23.3 24.8 -20.9 79 80 A F - 0 0 12 -2,-2.1 6,-0.1 6,-0.1 -2,-0.0 -0.971 44.3-172.2-134.3 147.5 -19.9 25.8 -19.5 80 81 A Q > - 0 0 131 -2,-0.3 3,-1.3 4,-0.1 -57,-0.2 -0.998 30.4-113.6-138.0 133.1 -17.7 28.9 -19.6 81 82 A P T 3 S+ 0 0 45 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.362 101.6 27.1 -61.7 142.1 -14.1 29.4 -18.4 82 83 A G T 3 S+ 0 0 55 -58,-1.2 2,-0.3 -59,-0.8 -58,-0.1 0.479 105.3 102.4 83.3 3.7 -13.7 31.7 -15.4 83 84 A S S < S- 0 0 41 -3,-1.3 -60,-2.8 -59,-0.3 -1,-0.3 -0.755 75.3-108.9-115.9 161.5 -17.3 31.1 -14.2 84 85 A I E -P 22 0B 93 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.620 39.3-176.2 -80.7 147.9 -18.9 29.0 -11.5 85 86 A T E -P 21 0B 10 -64,-2.4 -64,-2.4 -2,-0.2 2,-0.3 -0.932 12.6-153.8-139.8 167.7 -20.8 25.9 -12.6 86 87 A E E -P 20 0B 60 -2,-0.3 2,-0.4 -66,-0.2 -66,-0.2 -0.984 6.8-173.9-148.1 131.8 -22.9 23.2 -11.0 87 88 A V E -P 19 0B 3 -68,-2.6 -68,-2.8 -2,-0.3 2,-0.4 -0.985 8.2-157.6-126.4 138.4 -23.8 19.6 -11.9 88 89 A C E -PR 18 99B 15 11,-1.9 11,-3.3 -2,-0.4 2,-0.4 -0.952 11.9-172.2-113.5 133.9 -26.2 17.2 -10.3 89 90 A I E +PR 17 98B 0 -72,-2.2 -72,-3.2 -2,-0.4 2,-0.3 -0.981 12.0 159.5-126.8 134.8 -25.9 13.4 -10.6 90 91 A T E - 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