==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 31-JAN-12 4AGV . COMPND 2 MOLECULE: GALECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CINACHYRELLA; . AUTHOR D.M.FREYMANN,P.J.FOCIA,R.SAKAI,G.T.SWANSON . 576 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 71.4 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 . 306 53.1 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 . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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-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 . 73 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 4.2 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 . 7 2 0 0 6 9 12 7 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 2 0 2 0 0 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 3 A P 0 0 117 0, 0.0 125,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -23.3 -16.3 -3.6 18.5 2 4 A I E +A 125 0A 84 123,-0.2 2,-0.3 2,-0.0 123,-0.2 -0.998 360.0 156.7-133.4 126.4 -13.9 -1.1 20.2 3 5 A Q E +A 124 0A 49 121,-1.9 121,-3.0 -2,-0.4 2,-0.3 -0.990 10.1 176.6-152.3 145.6 -12.8 -1.5 23.9 4 6 A S E -A 123 0A 6 -2,-0.3 2,-0.4 119,-0.2 294,-0.4 -0.987 23.6-138.9-151.5 155.4 -9.8 -0.2 25.9 5 7 A I E -A 122 0A 0 117,-1.8 117,-2.1 -2,-0.3 2,-0.6 -0.968 17.2-148.4-117.1 136.4 -8.2 -0.1 29.3 6 8 A K E -AB 121 296A 89 290,-1.7 290,-1.6 -2,-0.4 115,-0.3 -0.921 24.1-168.5-107.1 115.4 -6.5 3.1 30.6 7 9 A V E - B 0 295A 11 113,-2.4 288,-0.1 -2,-0.6 3,-0.1 -0.535 32.0 -94.7-103.9 161.9 -3.6 2.5 32.9 8 10 A D E S- 0 0 47 286,-0.6 111,-0.1 -2,-0.2 -1,-0.1 -0.538 77.4 -70.7 -58.6 138.1 -1.3 4.3 35.3 9 11 A P E - 0 0 99 0, 0.0 2,-0.5 0, 0.0 111,-0.2 -0.070 62.6-152.4 -44.6 136.5 1.7 5.3 33.1 10 12 A M E +A 119 0A 10 109,-1.8 109,-1.7 -3,-0.1 3,-0.1 -0.950 34.8 162.7-128.5 125.9 3.6 2.1 32.4 11 13 A K S S+ 0 0 154 -2,-0.5 2,-0.3 107,-0.2 -1,-0.1 0.190 75.7 20.3-122.0 13.3 7.3 1.6 31.7 12 14 A S S S+ 0 0 75 131,-0.1 2,-0.3 2,-0.1 131,-0.1 -0.915 91.0 58.1-173.7 173.4 7.5 -2.1 32.4 13 15 A G S S- 0 0 30 -2,-0.3 79,-1.9 79,-0.2 2,-0.3 -0.627 74.5-110.7 79.5-146.9 5.2 -5.1 32.6 14 16 A G E -LM 91 143B 1 129,-1.0 129,-2.3 77,-0.3 2,-0.4 -0.949 13.9-113.7-169.3 177.4 3.2 -5.9 29.5 15 17 A L E -LM 90 142B 0 75,-2.1 75,-2.6 -2,-0.3 2,-0.4 -0.984 22.3-164.4-132.3 141.8 -0.3 -6.0 28.0 16 18 A G E -LM 89 141B 5 125,-2.2 125,-2.2 -2,-0.4 2,-0.3 -0.969 7.5-178.3-129.1 143.1 -2.5 -8.9 26.9 17 19 A V E -LM 88 140B 0 71,-1.4 71,-2.2 -2,-0.4 2,-0.3 -0.947 5.9-166.5-125.2 153.6 -5.6 -9.4 24.8 18 20 A V E +LM 87 139B 32 121,-1.5 120,-2.5 -2,-0.3 121,-1.5 -0.975 22.6 152.4-137.1 127.3 -7.6 -12.5 24.0 19 21 A Y E -LM 86 137B 2 67,-2.2 67,-2.7 -2,-0.3 2,-0.7 -0.986 47.4-107.0-147.6 158.1 -10.2 -12.5 21.2 20 22 A R E -LM 85 136B 68 116,-2.8 116,-1.4 -2,-0.3 65,-0.2 -0.823 45.0-128.7 -91.6 118.2 -12.0 -14.8 18.7 21 23 A S - 0 0 0 63,-2.1 2,-0.2 -2,-0.7 -1,-0.0 -0.040 16.4-128.8 -60.4 157.7 -10.6 -14.0 15.2 22 24 A P - 0 0 1 0, 0.0 112,-0.2 0, 0.0 -1,-0.1 -0.672 11.8-128.5-106.5 167.2 -12.8 -13.2 12.2 23 25 A D S S+ 0 0 18 110,-1.2 2,-0.3 -2,-0.2 58,-0.1 0.832 95.7 23.5 -76.8 -34.4 -12.8 -14.7 8.7 24 26 A K S S+ 0 0 69 109,-0.5 2,-0.3 22,-0.1 105,-0.2 -0.937 101.4 31.2-133.8 156.2 -12.7 -11.2 7.2 25 27 A G E S-C 47 0A 0 22,-1.5 21,-1.6 -2,-0.3 22,-1.4 -0.750 78.3 -73.9 107.8-152.1 -11.6 -7.7 8.3 26 28 A R E -CD 45 127A 40 101,-1.9 101,-2.8 -2,-0.3 2,-0.5 -0.987 20.7-146.1-152.8 145.9 -8.9 -6.6 10.6 27 29 A V E -CD 44 126A 1 17,-2.1 17,-2.4 -2,-0.3 2,-0.4 -0.957 20.9-168.1-112.7 119.1 -8.1 -6.5 14.4 28 30 A S E -CD 43 125A 0 97,-3.6 97,-2.9 -2,-0.5 2,-0.5 -0.881 10.9-166.6-111.8 138.0 -6.0 -3.5 15.7 29 31 A L E -CD 42 124A 2 13,-1.9 13,-2.0 -2,-0.4 2,-0.5 -0.988 15.4-163.9-122.0 117.9 -4.3 -3.1 19.1 30 32 A Y E -CD 41 123A 28 93,-1.9 93,-2.8 -2,-0.5 2,-0.5 -0.884 13.0-157.4-110.3 133.0 -3.1 0.4 19.8 31 33 A L E -CD 40 122A 0 9,-2.8 8,-2.1 -2,-0.5 9,-1.1 -0.943 23.4-175.3-102.9 121.7 -0.7 1.5 22.5 32 34 A Y E -CD 38 121A 33 89,-3.2 88,-2.6 -2,-0.5 89,-1.8 -0.907 18.8-149.8-116.5 144.2 -1.1 5.3 23.4 33 35 A N > - 0 0 32 4,-1.1 3,-1.3 -2,-0.4 86,-0.1 -0.299 47.9 -87.5 -85.5-171.6 0.6 7.8 25.6 34 36 A D T 3 S+ 0 0 137 1,-0.3 85,-0.0 84,-0.2 -1,-0.0 0.889 128.3 56.4 -67.3 -40.0 -1.2 10.7 27.2 35 37 A G T 3 S- 0 0 51 1,-0.1 -1,-0.3 27,-0.0 27,-0.2 0.309 120.0-109.8 -76.2 9.0 -0.7 13.0 24.2 36 38 A E < + 0 0 99 -3,-1.3 2,-0.2 1,-0.2 -2,-0.1 0.775 63.5 156.5 68.2 29.6 -2.5 10.3 22.1 37 39 A D - 0 0 28 25,-0.1 -4,-1.1 24,-0.1 2,-1.0 -0.576 47.2-123.3 -77.9 147.9 0.7 9.3 20.2 38 40 A I E +CE 32 60A 16 22,-3.5 22,-2.4 -2,-0.2 -6,-0.2 -0.838 29.9 178.2 -97.3 100.3 0.6 5.8 18.8 39 41 A L E S- 0 0 1 -8,-2.1 73,-0.3 -2,-1.0 2,-0.3 0.824 72.7 -14.1 -69.3 -29.9 3.7 4.2 20.3 40 42 A L E -C 31 0A 2 -9,-1.1 -9,-2.8 -3,-0.2 2,-0.4 -0.853 53.7-164.7-173.0 134.5 2.7 1.0 18.5 41 43 A V E -CE 30 58A 8 17,-1.5 17,-1.1 -2,-0.3 2,-0.7 -0.991 10.2-156.8-115.0 130.7 -0.1 -0.6 16.6 42 44 A V E -CE 29 57A 3 -13,-2.0 -13,-1.9 -2,-0.4 2,-0.6 -0.966 18.6-167.5 -99.3 116.6 -0.2 -4.3 15.9 43 45 A D E -CE 28 56A 5 13,-3.2 13,-3.0 -2,-0.7 2,-0.8 -0.924 5.2-166.3-113.4 107.1 -2.5 -4.5 12.9 44 46 A A E -CE 27 55A 2 -17,-2.4 -17,-2.1 -2,-0.6 2,-0.7 -0.851 6.3-161.3-102.0 107.9 -3.5 -8.1 12.1 45 47 A R E +CE 26 54A 32 9,-3.5 9,-2.0 -2,-0.8 -19,-0.2 -0.823 24.2 162.9 -98.0 116.4 -5.1 -8.3 8.6 46 48 A F E S- 0 0 5 -21,-1.6 7,-1.3 -2,-0.7 2,-0.3 0.905 89.1 -12.7 -88.8 -64.7 -7.3 -11.3 7.8 47 49 A D E S+CE 25 52A 49 -22,-1.4 -22,-1.5 5,-0.2 2,-0.5 -0.763 88.3 152.1-135.4 95.7 -9.1 -9.9 4.8 48 50 A W E > - E 0 51A 38 3,-2.7 3,-1.2 -2,-0.3 -3,-0.1 -0.943 68.4 -34.6-129.2 110.3 -8.4 -6.1 4.7 49 51 A R T 3 S- 0 0 203 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.871 124.4 -37.7 55.2 52.6 -8.4 -4.1 1.4 50 52 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.541 118.1 107.9 76.0 6.8 -6.9 -6.6 -0.9 51 53 A E E < -E 48 0A 60 -3,-1.2 -3,-2.7 3,-0.1 2,-0.4 -0.973 48.2-168.2-115.9 132.9 -4.5 -8.0 1.7 52 54 A Q E -E 47 0A 122 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.2 -0.966 64.9 -5.4-118.7 135.7 -5.0 -11.4 3.3 53 55 A N E S+ 0 0 46 -7,-1.3 2,-0.3 -2,-0.4 -7,-0.2 0.917 88.0 142.2 51.1 57.9 -3.2 -12.8 6.3 54 56 A V E -E 45 0A 29 -9,-2.0 -9,-3.5 -3,-0.2 2,-0.5 -0.974 38.3-151.5-128.1 141.0 -0.7 -10.0 6.8 55 57 A L E -E 44 0A 3 17,-0.4 2,-0.4 -2,-0.3 -11,-0.2 -0.957 14.2-170.1-114.9 129.7 0.6 -8.5 10.1 56 58 A V E -E 43 0A 4 -13,-3.0 -13,-3.2 -2,-0.5 2,-0.4 -0.967 8.9-172.3-122.7 132.1 1.7 -4.8 10.3 57 59 A L E +EF 42 70A 1 13,-2.2 13,-2.7 -2,-0.4 2,-0.3 -0.964 24.6 137.9-112.8 144.8 3.5 -2.9 13.0 58 60 A N E -E 41 0A 9 -17,-1.1 -17,-1.5 -2,-0.4 2,-0.3 -0.925 32.2-133.8-160.0-174.3 4.0 0.9 12.9 59 61 A S E - 0 0 4 -2,-0.3 8,-1.7 -19,-0.2 2,-0.3 -0.974 14.1-176.6-153.2 168.7 4.0 4.2 14.9 60 62 A K E -E 38 0A 48 -22,-2.4 -22,-3.5 -2,-0.3 2,-0.2 -0.944 26.0-126.7-171.6 126.5 2.7 7.8 14.7 61 63 A F > - 0 0 100 4,-0.4 3,-0.8 -2,-0.3 -24,-0.1 -0.553 61.4 -79.8 -70.1 148.7 2.7 11.1 16.5 62 64 A A T 3 S+ 0 0 56 1,-0.2 -1,-0.1 -2,-0.2 -25,-0.1 -0.333 118.3 1.9 -48.2 121.0 -0.8 12.4 17.0 63 65 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.966 114.9 97.2 56.7 59.9 -1.7 14.0 13.6 64 66 A G S < S- 0 0 29 -3,-0.8 -1,-0.2 0, 0.0 2,-0.1 -0.914 76.7 -59.3-160.0 179.1 1.5 13.1 11.7 65 67 A E - 0 0 166 -2,-0.3 -4,-0.4 -3,-0.1 2,-0.2 -0.414 42.6-117.2 -79.5 144.0 2.9 10.4 9.4 66 68 A W - 0 0 103 -6,-0.1 -6,-0.2 1,-0.1 3,-0.1 -0.516 35.0-128.7 -63.9 140.2 3.1 6.6 9.9 67 69 A G - 0 0 32 -8,-1.7 2,-0.3 1,-0.2 -1,-0.1 0.218 50.8 -45.6 -67.9-162.9 6.7 5.4 9.9 68 70 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.598 67.8-115.9 -60.7 129.5 8.2 2.5 7.8 69 71 A E - 0 0 93 -2,-0.3 2,-0.6 -3,-0.1 -11,-0.2 -0.503 20.2-147.1 -67.7 133.1 5.8 -0.6 8.0 70 72 A V B -F 57 0A 47 -13,-2.7 -13,-2.2 -2,-0.2 -1,-0.0 -0.948 12.0-170.6-101.5 123.9 7.2 -3.7 9.7 71 73 A R - 0 0 108 -2,-0.6 -15,-0.2 -15,-0.2 2,-0.1 -0.791 11.9-177.7-112.0 83.7 5.8 -7.0 8.1 72 74 A P - 0 0 22 0, 0.0 -17,-0.4 0, 0.0 2,-0.3 -0.339 17.8-132.3 -79.1 163.8 6.9 -10.0 10.3 73 75 A E S S+ 0 0 153 33,-0.2 -19,-0.0 1,-0.1 -2,-0.0 -0.764 74.2 60.7-106.4 157.7 6.2 -13.6 9.7 74 76 A G + 0 0 20 1,-0.3 -1,-0.1 -2,-0.3 27,-0.1 0.227 56.2 144.8 118.0 -13.5 4.8 -16.2 12.1 75 77 A F - 0 0 5 -3,-0.2 2,-3.0 1,-0.1 -1,-0.3 -0.393 58.6-116.1 -67.2 127.8 1.5 -14.8 13.1 76 78 A P + 0 0 10 0, 0.0 -1,-0.1 0, 0.0 153,-0.1 -0.318 48.7 164.8 -65.4 67.4 -1.1 -17.6 13.7 77 79 A F - 0 0 2 -2,-3.0 147,-2.1 147,-0.1 2,-0.3 -0.668 35.9-127.3 -72.7 135.5 -3.5 -16.7 10.9 78 80 A P B -U 223 0C 11 0, 0.0 3,-0.4 0, 0.0 -25,-0.1 -0.672 21.3-121.7 -88.1 151.4 -5.8 -19.7 10.4 79 81 A C S > S+ 0 0 11 143,-2.2 3,-2.2 -2,-0.3 143,-0.1 -0.248 79.3 24.1 -75.4 166.7 -6.2 -21.2 6.9 80 82 A C T 3 S- 0 0 96 1,-0.3 -1,-0.2 138,-0.0 -57,-0.0 0.607 127.1 -58.3 65.9 21.3 -9.3 -21.7 4.8 81 83 A G T 3 S+ 0 0 52 -3,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.674 94.3 152.4 82.2 17.2 -11.6 -19.0 6.2 82 84 A Y < - 0 0 37 -3,-2.2 2,-0.4 140,-0.1 -1,-0.2 -0.552 34.3-148.1 -86.5 146.0 -11.3 -20.5 9.7 83 85 A V + 0 0 22 -2,-0.2 2,-0.2 -6,-0.1 -60,-0.1 -0.860 22.0 165.9-108.1 145.6 -11.7 -18.7 13.0 84 86 A T - 0 0 9 -2,-0.4 -63,-2.1 -62,-0.1 2,-0.8 -0.860 44.4 -79.9-140.7-179.6 -9.9 -19.5 16.3 85 87 A T E -L 20 0B 21 162,-0.5 2,-0.4 -2,-0.2 -65,-0.2 -0.788 46.3-160.5 -85.5 112.8 -9.1 -18.1 19.8 86 88 A I E -L 19 0B 0 -67,-2.7 -67,-2.2 -2,-0.8 2,-0.4 -0.746 8.5-170.1 -95.4 138.6 -6.1 -15.6 19.5 87 89 A T E -L 18 0B 58 -2,-0.4 15,-3.3 -69,-0.2 2,-0.3 -0.997 9.1-175.5-130.5 123.9 -4.0 -14.7 22.5 88 90 A V E -LN 17 101B 6 -71,-2.2 -71,-1.4 -2,-0.4 2,-0.4 -0.917 11.3-164.4-123.3 143.1 -1.4 -11.8 22.2 89 91 A R E -LN 16 100B 99 11,-2.9 11,-2.8 -2,-0.3 2,-0.6 -0.995 4.0-170.6-127.6 130.6 1.2 -10.3 24.5 90 92 A V E -LN 15 99B 0 -75,-2.6 -75,-2.1 -2,-0.4 2,-0.4 -0.936 14.6-164.2-113.5 102.9 3.0 -7.0 24.1 91 93 A E E -LN 14 98B 86 7,-2.3 7,-1.8 -2,-0.6 2,-1.0 -0.764 16.1-135.5 -91.0 135.8 5.8 -6.8 26.7 92 94 A I E - 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