==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 15-OCT-12 4HL0 . COMPND 2 MOLECULE: GALECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXASCARIS LEONINA; . AUTHOR M.S.JEONG . 556 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 412 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 269 48.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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-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 . 88 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 5 0.9 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 . 1 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 . 8 4 0 8 4 15 7 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 . 0 0 0 0 4 0 2 0 0 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 M 0 0 242 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.9 7.5 19.3 -1.6 2 2 A A - 0 0 75 1,-0.2 2,-0.1 7,-0.1 7,-0.0 -0.129 360.0 -77.0 -59.0 156.4 8.9 21.6 1.0 3 3 A T > - 0 0 53 1,-0.2 3,-0.8 5,-0.0 -1,-0.2 -0.355 31.1-142.8 -58.6 125.2 10.6 20.1 4.2 4 4 A E T 3 S+ 0 0 55 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.542 89.3 90.3 -67.2 -3.9 7.9 18.9 6.6 5 5 A T T 3 S+ 0 0 3 2,-0.1 -1,-0.2 311,-0.1 312,-0.1 0.978 87.1 43.9 -53.9 -61.2 10.3 20.2 9.2 6 6 A N S < S- 0 0 5 -3,-0.8 131,-0.2 1,-0.2 132,-0.0 0.114 126.4 -54.5 -69.0-167.5 8.7 23.7 9.1 7 7 A Y B -A 136 0A 5 129,-1.1 129,-0.6 4,-0.0 -1,-0.2 -0.639 63.3-138.0 -80.5 100.9 5.0 24.1 9.2 8 8 A P - 0 0 39 0, 0.0 4,-0.2 0, 0.0 -4,-0.1 -0.309 29.9 -93.5 -60.7 131.7 3.7 22.1 6.2 9 9 A V S S+ 0 0 61 1,-0.1 122,-0.1 125,-0.1 2,-0.1 -0.782 113.4 45.8 -98.0 138.9 1.0 23.6 4.0 10 10 A P S S- 0 0 90 0, 0.0 2,-0.7 0, 0.0 121,-0.2 0.386 88.4-167.2 -69.2 134.1 -1.9 23.3 4.2 11 11 A Y E -F 130 0B 4 119,-3.0 119,-1.8 -4,-0.1 2,-0.5 -0.857 6.3-175.8 -99.1 115.7 -1.2 23.9 7.9 12 12 A R E +F 129 0B 36 -2,-0.7 344,-3.7 117,-0.2 2,-0.3 -0.951 6.5 172.2-114.8 122.5 -4.2 23.0 10.2 13 13 A S E -Fg 128 356B 0 115,-2.3 115,-1.8 -2,-0.5 2,-0.5 -0.948 22.8-141.6-131.4 151.4 -4.0 23.6 13.9 14 14 A K E -F 127 0B 64 342,-2.3 113,-0.2 -2,-0.3 2,-0.0 -0.939 21.2-128.0-114.0 129.4 -6.6 23.4 16.7 15 15 A L - 0 0 12 111,-2.0 343,-0.0 -2,-0.5 4,-0.0 -0.337 10.2-134.1 -71.3 155.9 -6.6 25.9 19.6 16 16 A T S S+ 0 0 87 1,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.901 92.0 2.6 -75.6 -41.2 -6.6 24.7 23.1 17 17 A E S S- 0 0 123 1,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.873 103.3 -73.1-136.4 164.1 -9.3 27.1 24.1 18 18 A P - 0 0 58 0, 0.0 2,-0.2 0, 0.0 108,-0.2 -0.284 62.8 -86.9 -63.1 150.8 -11.3 29.6 21.9 19 19 A F - 0 0 6 106,-1.7 106,-0.2 103,-0.3 105,-0.0 -0.401 54.5-160.2 -59.3 120.4 -9.4 32.7 20.8 20 20 A E > - 0 0 104 -2,-0.2 3,-1.9 -3,-0.1 79,-0.4 -0.682 26.4 -88.4-107.2 159.1 -9.8 35.3 23.5 21 21 A P T 3 S+ 0 0 51 0, 0.0 124,-0.3 0, 0.0 79,-0.3 -0.428 116.0 32.5 -62.9 134.6 -9.5 39.2 23.6 22 22 A G T 3 S+ 0 0 0 77,-3.4 2,-0.3 1,-0.4 78,-0.1 0.282 94.6 115.7 99.8 -9.7 -5.9 40.1 24.3 23 23 A Q < - 0 0 37 -3,-1.9 76,-2.5 76,-0.2 -1,-0.4 -0.673 49.8-154.0 -94.7 150.0 -4.5 37.0 22.5 24 24 A T E -BC 98 142A 17 118,-2.7 118,-1.6 -2,-0.3 2,-0.5 -0.969 8.1-153.0-126.7 139.3 -2.3 37.2 19.4 25 25 A L E -BC 97 141A 3 72,-2.8 72,-2.8 -2,-0.4 2,-0.5 -0.959 17.7-161.4-110.6 124.4 -1.8 34.8 16.5 26 26 A I E -BC 96 140A 3 114,-3.0 114,-1.6 -2,-0.5 2,-0.4 -0.923 10.4-179.1-111.9 129.5 1.6 35.2 14.9 27 27 A I E +BC 95 139A 0 68,-2.6 68,-2.9 -2,-0.5 2,-0.3 -0.977 5.5 172.4-130.9 117.9 2.4 33.8 11.4 28 28 A K E +BC 94 138A 55 110,-3.1 109,-2.1 -2,-0.4 110,-2.0 -0.927 14.4 130.4-123.3 148.6 5.8 34.2 9.8 29 29 A G E -BC 93 136A 1 64,-1.7 64,-2.3 -2,-0.3 2,-0.3 -0.987 44.5 -96.3-176.0-179.8 7.2 32.7 6.6 30 30 A K E - C 0 135A 104 105,-2.5 105,-3.2 -2,-0.3 2,-0.3 -0.866 25.5-159.8-118.5 150.8 8.9 33.1 3.3 31 31 A T - 0 0 17 -2,-0.3 60,-1.3 103,-0.2 2,-0.2 -0.856 13.1-128.6-124.8 162.3 7.5 33.5 -0.3 32 32 A A > - 0 0 46 101,-0.4 3,-1.7 -2,-0.3 58,-0.3 -0.627 28.9-106.6-108.1 168.4 9.0 32.9 -3.7 33 33 A E T 3 S+ 0 0 179 1,-0.3 56,-0.1 -2,-0.2 -1,-0.1 0.598 123.0 49.9 -67.2 -9.8 9.2 35.1 -6.8 34 34 A D T 3 S+ 0 0 129 99,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.347 81.3 118.4-109.7 3.2 6.5 32.8 -8.3 35 35 A S < - 0 0 1 -3,-1.7 3,-0.1 1,-0.2 -4,-0.0 -0.532 37.8-176.2 -74.0 135.5 4.1 32.9 -5.3 36 36 A V - 0 0 47 1,-0.4 26,-2.1 -2,-0.2 27,-1.0 0.762 60.1 -38.1 -99.8 -36.7 0.7 34.4 -6.3 37 37 A R E -H 61 0B 101 24,-0.2 96,-3.2 25,-0.2 -1,-0.4 -0.968 45.7-152.8-178.8 166.2 -0.9 34.4 -2.9 38 38 A F E -HI 60 132B 1 22,-1.3 22,-1.9 94,-0.3 2,-0.3 -0.972 16.4-137.1-149.3 158.9 -1.5 32.7 0.5 39 39 A T E -HI 59 131B 31 92,-2.9 92,-2.0 -2,-0.3 2,-0.4 -0.868 9.4-161.9-127.2 156.6 -4.2 32.6 3.1 40 40 A I E -HI 58 130B 1 18,-2.3 18,-2.9 -2,-0.3 2,-0.4 -0.996 19.7-173.1-133.2 123.4 -4.7 32.7 6.8 41 41 A N E -HI 57 129B 20 88,-3.0 88,-2.2 -2,-0.4 2,-0.8 -0.975 23.9-152.4-126.8 135.5 -8.0 31.5 8.2 42 42 A L E -HI 56 128B 4 14,-2.4 14,-1.0 -2,-0.4 86,-0.3 -0.916 39.0-166.9-102.6 102.1 -9.5 31.5 11.7 43 43 A H E - I 0 127B 11 84,-1.1 83,-2.0 -2,-0.8 84,-2.0 -0.306 17.6-148.9 -89.3 173.3 -11.8 28.5 11.5 44 44 A N > + 0 0 41 9,-0.7 5,-0.6 5,-0.3 8,-0.3 -0.737 53.6 75.6-131.7 175.0 -14.7 26.9 13.5 45 45 A T T >>5 - 0 0 18 79,-0.3 3,-1.7 -2,-0.2 4,-0.7 0.925 47.3-153.9 79.2 93.3 -16.0 23.4 14.0 46 46 A S T 345S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.2 -32,-0.0 0.561 95.1 73.3 -68.8 -7.5 -14.0 21.2 16.4 47 47 A A T 345S- 0 0 79 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.281 119.9-106.2 -88.4 9.2 -15.4 18.3 14.4 48 48 A D T <45 + 0 0 49 -3,-1.7 2,-0.7 1,-0.2 -2,-0.2 0.997 48.4 179.4 62.8 80.9 -13.0 19.4 11.6 49 49 A F ><< - 0 0 119 -4,-0.7 2,-1.2 -5,-0.6 3,-1.1 -0.870 23.1-143.3-115.3 96.5 -15.1 21.1 8.9 50 50 A S T 3 S- 0 0 110 -2,-0.7 -5,-0.1 1,-0.3 -7,-0.0 -0.406 89.2 -2.3 -60.9 93.2 -12.9 22.2 6.0 51 51 A G T 3 S+ 0 0 46 -2,-1.2 -1,-0.3 -7,-0.2 3,-0.1 0.925 94.2 128.4 87.9 54.4 -14.6 25.5 5.1 52 52 A N S < S- 0 0 54 -3,-1.1 23,-0.4 1,-0.3 2,-0.4 0.846 77.4 -7.0 -99.9 -74.2 -17.6 25.6 7.5 53 53 A D - 0 0 28 -4,-0.3 -9,-0.7 -9,-0.2 -1,-0.3 -0.996 63.2-171.6-130.3 123.7 -17.7 28.9 9.4 54 54 A V E - J 0 72B 2 18,-2.4 18,-2.2 -2,-0.4 -11,-0.2 -0.777 9.8-175.7-125.0 91.0 -14.8 31.3 9.0 55 55 A P E S+ 0 0 2 0, 0.0 2,-0.4 0, 0.0 64,-0.3 0.798 80.9 18.6 -49.4 -38.3 -14.9 34.4 11.4 56 56 A L E -H 42 0B 0 -14,-1.0 -14,-2.4 15,-0.1 2,-0.5 -0.951 64.7-176.3-144.6 123.0 -11.8 35.9 9.7 57 57 A H E -HJ 41 70B 32 13,-2.4 13,-1.7 -2,-0.4 2,-0.5 -0.976 7.8-167.5-119.2 124.8 -10.3 35.1 6.3 58 58 A I E +HJ 40 69B 2 -18,-2.9 -18,-2.3 -2,-0.5 2,-0.5 -0.961 6.6 179.6-117.0 126.5 -7.1 36.8 5.3 59 59 A S E -HJ 39 68B 10 9,-2.8 9,-3.8 -2,-0.5 2,-0.6 -0.956 9.3-165.0-127.9 111.0 -5.8 36.7 1.7 60 60 A V E -HJ 38 67B 3 -22,-1.9 -22,-1.3 -2,-0.5 2,-0.5 -0.864 15.8-162.3 -97.4 121.8 -2.6 38.5 0.8 61 61 A R E >> +HJ 37 66B 46 5,-2.9 4,-1.2 -2,-0.6 5,-0.8 -0.908 28.4 179.4-116.3 121.0 -2.3 38.8 -3.0 62 62 A F T 45S+ 0 0 23 -26,-2.1 -25,-0.2 -2,-0.5 -1,-0.1 0.646 91.7 56.0 -84.0 -17.8 0.8 39.6 -5.0 63 63 A D T 45S+ 0 0 83 -27,-1.0 -1,-0.2 1,-0.1 -26,-0.1 0.795 121.2 27.6 -82.4 -29.3 -1.3 39.4 -8.2 64 64 A E T 45S- 0 0 67 -28,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.564 98.8-132.7-106.1 -15.4 -3.7 42.1 -7.0 65 65 A G T <5S+ 0 0 25 -4,-1.2 20,-2.0 1,-0.2 2,-0.3 0.777 71.9 103.0 66.5 26.4 -1.3 43.9 -4.7 66 66 A K E < -JK 61 84B 84 -5,-0.8 -5,-2.9 18,-0.2 2,-0.5 -0.937 69.1-129.5-138.4 158.1 -3.9 43.9 -1.9 67 67 A I E -JK 60 83B 5 16,-3.0 16,-1.6 -2,-0.3 2,-0.4 -0.946 29.1-152.5-107.9 127.5 -4.7 42.1 1.3 68 68 A V E -JK 59 82B 5 -9,-3.8 -9,-2.8 -2,-0.5 2,-0.4 -0.870 10.8-169.8-107.9 134.8 -8.3 40.8 1.4 69 69 A F E +JK 58 81B 1 12,-2.5 12,-2.0 -2,-0.4 2,-0.3 -0.973 20.5 144.6-121.6 132.9 -10.4 40.3 4.6 70 70 A N E -J 57 0B 5 -13,-1.7 -13,-2.4 -2,-0.4 2,-0.4 -0.938 35.1-126.7-155.1 174.1 -13.8 38.6 4.7 71 71 A T E - 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