==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 10-FEB-98 1DGL . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DIOCLEA GRANDIFLORA; . AUTHOR D.A.ROZWARSKI,B.M.SWAMI,C.F.BREWER,J.C.SACCHETTINI . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 65.4 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 . 203 42.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 41 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 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 6 0 2 4 6 4 3 2 1 1 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 2 0 0 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 1 A A 0 0 135 0, 0.0 2,-0.1 0, 0.0 218,-0.1 0.000 360.0 360.0 360.0-169.2 5.9 49.7 52.5 2 2 A D - 0 0 42 230,-0.1 2,-0.7 218,-0.1 213,-0.0 -0.430 360.0-132.5 -79.2 147.8 3.3 47.5 50.8 3 3 A T - 0 0 36 -2,-0.1 213,-0.4 2,-0.0 2,-0.3 -0.905 31.1-168.9 -98.2 112.1 -0.1 46.9 52.2 4 4 A I + 0 0 2 -2,-0.7 26,-2.7 211,-0.2 2,-0.4 -0.782 22.6 176.7-108.8 147.7 -0.8 43.1 52.1 5 5 A V E +AB 29 214A 3 209,-1.5 209,-2.4 -2,-0.3 2,-0.3 -0.954 30.0 166.5-138.4 125.2 -4.0 41.2 52.6 6 6 A A E -AB 28 213A 1 22,-3.0 22,-2.3 -2,-0.4 2,-0.5 -0.933 43.4-144.0-147.6 164.5 -3.4 37.5 52.0 7 7 A V E -AB 27 212A 3 205,-2.2 205,-2.1 -2,-0.3 2,-0.4 -0.995 35.6-160.8-125.8 117.4 -4.6 34.0 52.3 8 8 A E E -AB 26 211A 0 18,-3.0 18,-2.2 -2,-0.5 2,-0.7 -0.855 23.6-156.9-110.8 143.0 -1.6 31.8 52.9 9 9 A L E -AB 25 210A 1 201,-2.9 201,-1.4 -2,-0.4 2,-0.7 -0.900 25.3-171.1-113.8 85.8 -1.1 28.1 52.4 10 10 A N E +AB 24 209A 0 14,-2.2 14,-2.6 -2,-0.7 199,-0.2 -0.804 16.8 172.6 -85.8 115.3 1.8 27.7 54.8 11 11 A S + 0 0 5 197,-2.0 198,-0.2 -2,-0.7 -1,-0.1 0.601 64.6 64.8 -96.5 -18.5 3.2 24.2 54.6 12 12 A Y S S- 0 0 56 196,-1.2 2,-0.3 12,-0.1 -1,-0.2 -0.944 77.8-138.9-113.5 118.8 6.2 24.8 56.8 13 13 A P - 0 0 31 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.553 18.6-178.9 -75.9 122.7 5.7 25.6 60.5 14 14 A N > > + 0 0 12 -2,-0.3 3,-1.8 6,-0.2 5,-1.7 -0.823 5.0 177.0-121.4 77.7 8.0 28.4 61.7 15 15 A T G > 5S+ 0 0 80 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.759 70.4 73.5 -58.8 -25.3 6.9 28.4 65.3 16 16 A D G 3 5S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.676 105.8 36.6 -63.3 -15.1 9.5 31.1 66.1 17 17 A I G < 5S- 0 0 11 -3,-1.8 -1,-0.2 15,-0.1 -2,-0.2 0.172 132.3 -79.1-121.7 15.8 7.4 33.6 64.3 18 18 A G T < 5S+ 0 0 50 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.391 76.8 143.0 110.0 -5.8 3.9 32.5 65.2 19 19 A D < - 0 0 13 -5,-1.7 -1,-0.3 1,-0.1 2,-0.1 -0.308 54.1-112.4 -70.1 153.3 3.0 29.6 63.0 20 20 A P - 0 0 26 0, 0.0 2,-1.5 0, 0.0 -6,-0.2 -0.415 40.8-100.4 -72.7 163.2 0.9 26.7 64.4 21 21 A N S S+ 0 0 129 -8,-0.1 -2,-0.0 -2,-0.1 -6,-0.0 -0.227 99.9 49.3 -88.1 53.2 3.0 23.5 64.7 22 22 A Y S S- 0 0 71 -2,-1.5 -10,-0.1 -12,-0.1 -12,-0.1 -0.948 103.2 -70.7-174.2 157.8 1.6 22.0 61.5 23 23 A P + 0 0 32 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.406 66.6 168.8 -59.7 135.5 0.9 22.9 57.9 24 24 A H E -AC 10 39A 0 -14,-2.6 -14,-2.2 15,-0.3 2,-0.4 -0.963 38.2-126.5-148.3 166.8 -2.0 25.4 57.9 25 25 A I E +AC 9 38A 0 13,-2.4 13,-1.5 -2,-0.3 2,-0.3 -0.899 37.5 173.4-115.6 139.5 -4.0 27.9 56.0 26 26 A G E -AC 8 37A 0 -18,-2.2 -18,-3.0 -2,-0.4 2,-0.6 -0.990 34.3-122.6-148.8 161.5 -4.4 31.4 57.4 27 27 A I E -AC 7 36A 0 9,-1.6 8,-1.4 -2,-0.3 9,-0.5 -0.918 28.9-162.3-106.2 114.0 -5.7 34.9 56.7 28 28 A D E -A 6 0A 0 -22,-2.3 -22,-3.0 -2,-0.6 2,-0.5 -0.838 10.1-175.0-100.9 133.5 -3.0 37.5 56.9 29 29 A I E S-A 5 0A 15 -2,-0.4 -24,-0.2 2,-0.3 2,-0.2 -0.993 76.7 -35.0-125.9 113.5 -3.8 41.2 57.2 30 30 A K S S+ 0 0 129 -26,-2.7 2,-0.3 -2,-0.5 -25,-0.1 0.343 127.0 61.2 53.8 3.0 -0.8 43.4 57.1 31 31 A S S S- 0 0 9 -2,-0.2 -2,-0.3 2,-0.1 4,-0.2 -0.995 81.7-120.4-153.4 155.2 1.5 40.9 58.9 32 32 A I S S+ 0 0 3 -2,-0.3 2,-1.4 203,-0.3 204,-0.1 0.678 93.2 95.6 -70.0 -10.9 2.9 37.3 58.5 33 33 A R S S- 0 0 101 -4,-0.1 -4,-0.3 1,-0.1 -1,-0.1 -0.616 84.2-130.5 -84.6 89.8 1.2 36.6 61.8 34 34 A S - 0 0 28 -2,-1.4 -6,-0.2 1,-0.2 -2,-0.1 -0.107 6.9-148.8 -46.8 121.6 -2.1 35.1 60.7 35 35 A K S S+ 0 0 93 -8,-1.4 2,-0.3 -4,-0.2 -1,-0.2 0.549 88.4 9.4 -66.1 -8.9 -5.1 36.8 62.4 36 36 A S E S+C 27 0A 36 -9,-0.5 -9,-1.6 41,-0.1 2,-0.3 -0.927 73.3 179.2-167.6 144.6 -6.7 33.3 62.0 37 37 A T E -C 26 0A 53 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.925 12.7-166.1-147.0 173.9 -5.6 29.8 61.0 38 38 A A E -C 25 0A 23 -13,-1.5 -13,-2.4 -2,-0.3 2,-0.3 -0.961 38.9 -97.7-158.6 144.1 -6.7 26.1 60.5 39 39 A R E -C 24 0A 121 -2,-0.3 2,-0.6 -15,-0.2 -15,-0.3 -0.549 33.2-149.2 -72.7 134.8 -4.7 23.0 60.0 40 40 A W - 0 0 1 -17,-2.5 2,-2.4 -2,-0.3 32,-0.0 -0.932 8.7-143.3-104.7 117.3 -4.4 22.1 56.4 41 41 A N - 0 0 102 -2,-0.6 -17,-0.1 30,-0.1 -2,-0.0 -0.505 31.8-156.6 -80.1 68.2 -4.1 18.3 55.8 42 42 A M - 0 0 42 -2,-2.4 2,-0.5 -19,-0.1 -2,-0.0 -0.224 13.0-165.6 -50.5 128.0 -1.6 19.0 53.0 43 43 A Q > - 0 0 57 3,-0.1 3,-0.9 157,-0.0 156,-0.3 -0.971 11.9-147.1-121.2 111.2 -1.4 16.1 50.5 44 44 A T T 3 S+ 0 0 72 -2,-0.5 156,-0.2 1,-0.2 3,-0.1 -0.399 79.1 28.1 -75.9 158.6 1.6 16.4 48.2 45 45 A G T 3 S+ 0 0 47 154,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.551 101.4 102.5 71.6 4.5 1.4 15.2 44.6 46 46 A K S < S- 0 0 60 -3,-0.9 153,-0.6 153,-0.4 2,-0.3 -0.947 75.8-116.4-120.8 143.2 -2.3 15.9 44.5 47 47 A V E -H 198 0B 65 -2,-0.4 21,-0.5 151,-0.1 2,-0.3 -0.588 34.2-163.2 -79.7 138.0 -3.9 18.9 42.9 48 48 A G E -HI 197 67B 0 149,-2.5 149,-1.8 -2,-0.3 2,-0.4 -0.864 11.3-144.7-123.6 160.2 -5.7 21.3 45.2 49 49 A T E -HI 196 66B 39 17,-2.0 17,-1.9 -2,-0.3 2,-0.4 -0.964 7.5-166.2-125.3 138.2 -8.3 24.0 44.9 50 50 A V E -HI 195 65B 0 145,-2.2 145,-1.1 -2,-0.4 2,-0.4 -0.986 3.6-168.3-122.6 125.0 -8.6 27.2 47.0 51 51 A H E -HI 194 64B 80 13,-1.8 13,-1.2 -2,-0.4 2,-0.4 -0.971 7.6-171.0-113.4 134.4 -11.7 29.3 46.8 52 52 A I E +HI 193 63B 1 141,-2.5 141,-1.8 -2,-0.4 2,-0.3 -0.989 5.6 178.2-129.1 132.5 -11.6 32.8 48.4 53 53 A S E +HI 192 62B 43 9,-2.2 9,-2.2 -2,-0.4 2,-0.3 -0.939 10.1 171.4-134.0 159.9 -14.5 35.2 49.0 54 54 A Y E -H 191 0B 13 137,-1.4 137,-1.2 -2,-0.3 2,-0.3 -0.956 5.4-175.9-163.2 144.1 -15.3 38.6 50.5 55 55 A N E >>> -H 190 0B 56 5,-0.3 4,-1.7 -2,-0.3 5,-0.6 -0.934 25.3-139.2-148.5 119.7 -18.3 40.9 50.6 56 56 A S T 345S+ 0 0 16 133,-2.5 134,-0.1 -2,-0.3 26,-0.1 0.429 103.6 51.8 -61.2 -3.9 -18.3 44.4 52.1 57 57 A V T 345S+ 0 0 101 132,-0.2 -1,-0.3 3,-0.1 133,-0.1 0.770 115.3 39.3 -98.3 -40.4 -21.7 43.9 53.7 58 58 A A T <45S- 0 0 63 -3,-0.5 -2,-0.2 2,-0.1 3,-0.1 0.629 91.9-153.2 -81.6 -12.3 -20.8 40.6 55.3 59 59 A K T <5 + 0 0 69 -4,-1.7 20,-2.2 1,-0.2 2,-0.5 0.821 51.0 126.9 43.9 37.4 -17.4 42.0 56.2 60 60 A R E < - J 0 78B 120 -5,-0.6 2,-0.4 18,-0.3 -5,-0.3 -0.955 46.5-161.3-132.3 121.9 -16.1 38.4 56.2 61 61 A L E + J 0 77B 3 16,-2.5 16,-1.4 -2,-0.5 2,-0.3 -0.791 23.1 175.4 -93.2 134.0 -13.1 37.1 54.3 62 62 A S E -IJ 53 76B 38 -9,-2.2 -9,-2.2 -2,-0.4 2,-0.3 -0.986 13.4-175.7-141.4 156.9 -13.2 33.3 54.0 63 63 A A E -IJ 52 75B 3 12,-2.5 12,-1.8 -2,-0.3 2,-0.3 -0.932 3.0-169.4-145.5 160.5 -11.1 30.6 52.3 64 64 A V E -IJ 51 74B 35 -13,-1.2 -13,-1.8 -2,-0.3 2,-0.4 -0.973 6.6-158.5-153.2 149.8 -11.3 26.8 51.8 65 65 A V E +IJ 50 73B 1 8,-1.7 8,-2.0 -2,-0.3 2,-0.3 -0.996 19.4 172.0-134.2 125.7 -8.9 24.2 50.4 66 66 A S E -I 49 0B 34 -17,-1.9 -17,-2.0 -2,-0.4 2,-0.3 -0.908 19.1-156.1-136.7 159.2 -10.1 20.9 49.1 67 67 A Y E > -IJ 48 70B 16 3,-0.9 3,-1.9 -2,-0.3 2,-0.4 -0.876 48.2 -78.9-125.9 161.2 -8.7 17.8 47.3 68 68 A S T 3 S- 0 0 96 -21,-0.5 3,-0.1 -2,-0.3 -21,-0.0 -0.486 117.8 -2.8 -66.6 119.3 -10.6 15.3 45.3 69 69 A G T 3 S+ 0 0 88 -2,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.739 113.1 106.1 73.1 21.4 -12.3 13.0 47.7 70 70 A S E < S-J 67 0B 41 -3,-1.9 -3,-0.9 1,-0.0 -1,-0.2 -0.991 76.1-101.6-133.0 140.3 -10.7 14.7 50.8 71 71 A S E - 0 0 113 -2,-0.4 2,-0.2 -5,-0.1 -4,-0.2 -0.103 38.3-116.4 -56.6 157.1 -12.4 16.9 53.3 72 72 A S E - 0 0 68 -6,-0.1 2,-0.4 -32,-0.0 -6,-0.2 -0.634 12.8-140.6 -98.0 153.9 -11.9 20.6 53.1 73 73 A T E -J 65 0B 16 -8,-2.0 -8,-1.7 -2,-0.2 2,-0.3 -0.908 22.8-162.1-110.7 141.9 -10.3 22.9 55.6 74 74 A T E +J 64 0B 82 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.864 13.1 177.4-124.2 157.4 -11.9 26.3 56.1 75 75 A V E +J 63 0B 7 -12,-1.8 -12,-2.5 -2,-0.3 2,-0.3 -0.967 5.4 174.9-156.0 149.2 -10.8 29.6 57.6 76 76 A S E -J 62 0B 32 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.872 11.1-169.1-146.4 177.0 -12.5 33.0 58.0 77 77 A Y E -J 61 0B 77 -16,-1.4 -16,-2.5 -2,-0.3 2,-0.4 -0.687 24.6-128.0-176.4 117.8 -12.0 36.4 59.5 78 78 A D E +J 60 0B 93 -18,-0.2 2,-0.3 -2,-0.2 -18,-0.3 -0.601 49.6 144.1 -72.7 124.9 -14.3 39.3 60.0 79 79 A V - 0 0 20 -20,-2.2 2,-0.6 -2,-0.4 3,-0.1 -0.984 49.8-132.4-158.8 151.6 -12.6 42.4 58.6 80 80 A D > - 0 0 41 -2,-0.3 3,-3.2 1,-0.1 4,-0.5 -0.771 18.5-167.6-113.7 89.1 -13.5 45.6 56.7 81 81 A L G >> S+ 0 0 4 -2,-0.6 4,-3.5 1,-0.3 3,-0.6 0.641 80.3 74.8 -50.3 -19.2 -11.0 45.7 53.8 82 82 A N G 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.656 100.5 45.6 -67.3 -19.3 -12.1 49.3 53.1 83 83 A N G <4 S+ 0 0 133 -3,-3.2 -1,-0.3 3,-0.0 -2,-0.2 0.557 119.9 39.4 -95.8 -18.3 -10.1 50.2 56.2 84 84 A V T <4 S+ 0 0 25 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.845 112.0 47.9 -97.0 -47.5 -7.1 48.0 55.3 85 85 A L S < S- 0 0 7 -4,-3.5 2,-0.1 1,-0.1 4,-0.1 -0.536 77.5-116.1-100.2 159.7 -6.7 48.5 51.6 86 86 A P - 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