==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 07-MAR-11 3R0E . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: REMUSATIA VIVIPARA; . AUTHOR K.N.SHETTY,G.G.BHAT,B.M.SWAMY,K.SUGUNA . 438 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 63.7 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 . 168 38.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 43 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 6 13 16 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 10 2 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 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 L 0 0 93 0, 0.0 2,-0.4 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 171.4 16.3 -4.2 0.0 2 2 A G - 0 0 54 1,-0.1 16,-0.1 10,-0.0 2,-0.1 -0.763 360.0 -26.1 142.0 -88.1 15.0 -0.6 -0.1 3 3 A T - 0 0 34 -2,-0.4 16,-2.9 2,-0.3 -1,-0.1 -0.289 68.7 -73.2-144.6-151.4 14.8 1.9 -2.9 4 4 A N S S+ 0 0 8 14,-0.3 83,-2.8 -2,-0.1 2,-0.3 0.183 103.0 55.3-114.1 13.8 16.2 3.1 -6.2 5 5 A Y E -A 86 0A 7 81,-0.2 2,-0.4 14,-0.1 -2,-0.3 -0.993 57.5-153.8-147.8 150.1 19.4 4.6 -4.8 6 6 A L E -A 85 0A 5 79,-2.7 79,-3.2 -2,-0.3 2,-0.2 -0.996 19.1-153.2-124.2 124.2 22.5 3.8 -2.6 7 7 A L E > -A 84 0A 14 -2,-0.4 3,-2.3 77,-0.2 48,-0.3 -0.624 34.6 -88.5 -92.4 155.3 24.2 6.6 -0.8 8 8 A S T 3 S+ 0 0 20 75,-2.2 48,-0.2 1,-0.3 3,-0.1 -0.462 118.9 30.0 -63.5 126.5 27.9 6.6 0.3 9 9 A G T 3 S+ 0 0 71 46,-1.0 -1,-0.3 1,-0.5 2,-0.2 0.093 99.5 105.1 105.4 -20.1 28.1 4.9 3.7 10 10 A Q < - 0 0 80 -3,-2.3 45,-0.5 45,-0.1 -1,-0.5 -0.572 61.5-138.4 -90.0 158.6 25.1 2.7 3.1 11 11 A T E -D 54 0B 78 -2,-0.2 2,-0.8 43,-0.1 43,-0.2 -0.944 8.8-151.8-119.7 135.2 25.3 -1.0 2.3 12 12 A L E -D 53 0B 3 41,-3.1 41,-3.1 -2,-0.4 3,-0.1 -0.942 34.3-152.7 -98.3 106.2 23.5 -3.1 -0.2 13 13 A D > - 0 0 84 -2,-0.8 3,-2.8 39,-0.2 14,-0.3 -0.288 34.4 -56.3 -78.4 163.0 23.6 -6.5 1.7 14 14 A T T 3 S+ 0 0 31 1,-0.3 14,-0.2 36,-0.2 -1,-0.2 -0.071 126.5 2.8 -39.5 128.3 23.6 -10.0 0.2 15 15 A E T 3 S+ 0 0 89 12,-4.0 -1,-0.3 1,-0.2 2,-0.2 0.544 97.7 143.0 58.9 12.6 20.5 -10.5 -2.0 16 16 A G < - 0 0 6 -3,-2.8 11,-2.0 11,-0.4 2,-0.3 -0.526 35.9-150.5 -74.3 147.3 19.4 -6.9 -1.4 17 17 A H E -G 26 0C 73 9,-0.2 2,-0.4 -2,-0.2 -14,-0.3 -0.860 19.3-160.4-122.8 154.3 17.8 -5.1 -4.3 18 18 A L E -G 25 0C 3 7,-1.5 7,-3.3 -2,-0.3 2,-0.4 -0.997 26.9-166.2-123.1 132.7 17.5 -1.6 -5.6 19 19 A K E +G 24 0C 96 -16,-2.9 2,-0.3 -2,-0.4 5,-0.2 -0.962 27.9 168.4-131.6 139.0 14.6 -1.1 -8.0 20 20 A N E > S-G 23 0C 19 3,-2.7 3,-2.1 -2,-0.4 2,-0.2 -0.873 72.1 -56.4-140.3 109.3 13.3 1.4 -10.6 21 21 A G T 3 S- 0 0 51 -2,-0.3 -1,-0.1 1,-0.3 94,-0.0 -0.392 122.6 -11.3 60.8-123.9 10.5 0.2 -12.8 22 22 A D T 3 S+ 0 0 125 67,-0.2 2,-0.5 -2,-0.2 -1,-0.3 0.506 118.2 93.8 -85.0 -5.0 11.6 -3.0 -14.5 23 23 A F E < +G 20 0C 44 -3,-2.1 -3,-2.7 14,-0.1 2,-0.4 -0.792 51.3 179.3 -98.6 131.6 15.2 -2.6 -13.6 24 24 A D E -GH 19 36C 30 12,-1.0 12,-2.8 -2,-0.5 2,-0.7 -0.990 17.4-153.2-138.4 115.2 16.4 -4.3 -10.4 25 25 A L E -GH 18 35C 1 -7,-3.3 -7,-1.5 -2,-0.4 2,-0.5 -0.856 21.3-173.0 -94.0 115.9 20.0 -4.2 -9.1 26 26 A V E -GH 17 34C 6 8,-3.0 8,-2.6 -2,-0.7 2,-1.1 -0.947 26.6-150.9-119.8 124.0 20.7 -7.4 -7.0 27 27 A M E - H 0 33C 0 -11,-2.0 -12,-4.0 -2,-0.5 -11,-0.4 -0.806 42.1-146.1 -83.4 98.0 23.7 -8.1 -4.9 28 28 A Q > - 0 0 35 4,-2.3 3,-2.2 -2,-1.1 23,-0.3 -0.249 22.8-115.1 -80.2 157.7 23.4 -11.9 -5.5 29 29 A D T 3 S+ 0 0 108 1,-0.3 21,-0.4 2,-0.1 22,-0.2 0.741 117.8 57.5 -49.8 -29.5 24.2 -14.9 -3.2 30 30 A D T 3 S- 0 0 56 2,-0.2 16,-2.9 19,-0.1 17,-0.7 0.316 119.5-109.4 -91.2 6.5 26.9 -15.8 -5.8 31 31 A a S < S+ 0 0 0 -3,-2.2 2,-0.5 1,-0.3 -2,-0.1 0.457 77.0 131.4 80.4 3.8 28.7 -12.4 -5.4 32 32 A N - 0 0 12 11,-0.1 -4,-2.3 16,-0.1 2,-0.7 -0.763 51.6-145.3 -84.5 129.2 27.7 -11.2 -8.9 33 33 A L E -H 27 0C 0 -2,-0.5 9,-2.2 -6,-0.2 2,-0.4 -0.890 29.5-174.4 -91.9 113.9 26.2 -7.7 -8.8 34 34 A V E -HI 26 41C 25 -8,-2.6 -8,-3.0 -2,-0.7 2,-1.0 -0.934 29.6-153.1-123.7 130.7 23.5 -7.8 -11.5 35 35 A L E > > -HI 25 40C 2 5,-2.6 3,-2.2 -2,-0.4 5,-0.8 -0.817 29.4-140.1 -97.2 94.4 21.3 -5.2 -13.0 36 36 A Y E 3 5S+H 24 0C 89 -12,-2.8 -12,-1.0 -2,-1.0 5,-0.0 -0.302 84.6 6.2 -54.2 134.3 18.3 -7.2 -14.2 37 37 A N T 3 5S+ 0 0 121 -14,-0.2 -1,-0.3 1,-0.1 -14,-0.1 0.385 113.6 90.2 70.4 -0.0 17.0 -6.0 -17.5 38 38 A G T < 5S- 0 0 11 -3,-2.2 -2,-0.2 2,-0.2 55,-0.1 0.380 90.6-127.4-107.2 2.3 19.9 -3.6 -17.8 39 39 A N T 5S+ 0 0 167 -4,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.897 71.5 113.3 50.4 45.0 22.5 -5.8 -19.5 40 40 A W E < +I 35 0C 41 -5,-0.8 -5,-2.6 179,-0.0 2,-0.3 -0.995 32.2 159.5-144.9 142.5 25.1 -5.2 -16.8 41 41 A Q E -I 34 0C 90 -2,-0.3 -7,-0.2 -7,-0.2 -9,-0.0 -0.973 44.7-125.8-149.9 155.1 26.9 -7.2 -14.2 42 42 A S - 0 0 10 -9,-2.2 -8,-0.1 -2,-0.3 31,-0.1 0.819 45.1-134.3 -68.0 -29.9 30.0 -6.8 -12.1 43 43 A N + 0 0 119 -10,-0.3 -11,-0.1 -3,-0.1 -9,-0.1 0.940 65.7 126.9 75.9 50.9 31.0 -10.3 -13.4 44 44 A T > + 0 0 5 -13,-0.0 3,-1.5 -11,-0.0 4,-0.2 -0.122 25.9 156.4-131.3 30.3 32.1 -11.6 -10.1 45 45 A A T 3 S+ 0 0 33 1,-0.3 -14,-0.2 2,-0.1 -15,-0.0 -0.408 74.3 8.0 -61.4 135.9 30.0 -14.7 -9.8 46 46 A N T 3 S+ 0 0 144 -16,-2.9 -1,-0.3 2,-0.2 -15,-0.2 0.754 93.3 118.0 58.5 29.6 31.7 -17.3 -7.4 47 47 A N S < S- 0 0 97 -3,-1.5 2,-0.3 -17,-0.7 -2,-0.1 0.469 85.6 -24.0 -97.4 -6.9 34.3 -14.7 -6.3 48 48 A G - 0 0 22 -18,-0.4 2,-0.3 -4,-0.2 -2,-0.2 -0.976 61.4-110.1-177.4-178.9 33.0 -14.8 -2.7 49 49 A R S S+ 0 0 55 -2,-0.3 17,-2.1 1,-0.1 18,-0.2 -0.900 91.7 21.0-126.3 160.4 30.1 -15.6 -0.4 50 50 A D S S- 0 0 101 -21,-0.4 -36,-0.2 -2,-0.3 -1,-0.1 0.785 87.1-175.4 54.3 33.7 28.0 -13.2 1.8 51 51 A a - 0 0 0 -23,-0.3 2,-0.3 -22,-0.2 14,-0.2 -0.158 10.8-162.0 -67.9 152.3 29.0 -10.3 -0.5 52 52 A K E - E 0 64B 73 12,-2.6 12,-2.2 -39,-0.2 2,-0.5 -0.991 12.5-136.5-138.8 142.6 28.1 -6.7 0.0 53 53 A L E +DE 12 63B 2 -41,-3.1 -41,-3.1 -2,-0.3 2,-0.3 -0.872 27.6 170.1-102.0 130.5 27.9 -3.5 -2.1 54 54 A T E -DE 11 62B 37 8,-2.8 8,-2.4 -2,-0.5 2,-0.4 -0.804 26.0-138.8-127.3 170.6 29.2 -0.2 -0.7 55 55 A L E - E 0 61B 4 -45,-0.5 -46,-1.0 -2,-0.3 6,-0.2 -0.983 24.6-137.6-135.1 120.6 29.9 3.3 -2.2 56 56 A T > - 0 0 42 4,-2.7 3,-2.0 -2,-0.4 27,-0.1 -0.158 27.8-102.5 -77.6 170.1 33.0 5.1 -1.0 57 57 A D T 3 S+ 0 0 71 1,-0.3 24,-2.2 2,-0.1 -1,-0.1 0.497 125.0 54.3 -66.7 -5.0 33.5 8.8 -0.1 58 58 A Y T 3 S- 0 0 112 22,-0.2 20,-2.4 2,-0.1 -1,-0.3 0.269 123.3-104.3-111.3 8.0 35.1 9.1 -3.6 59 59 A G S < S+ 0 0 0 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.690 71.3 143.5 83.3 21.5 32.1 7.7 -5.4 60 60 A E - 0 0 13 18,-0.1 -4,-2.7 15,-0.1 2,-0.4 -0.812 47.7-133.3 -96.7 130.8 33.5 4.2 -6.2 61 61 A L E -E 55 0B 0 -2,-0.5 13,-2.3 -6,-0.2 2,-0.4 -0.708 29.1-171.1 -78.0 132.4 31.2 1.2 -6.0 62 62 A V E -EF 54 73B 5 -8,-2.4 -8,-2.8 -2,-0.4 2,-0.4 -0.992 15.6-159.0-131.4 130.9 32.9 -1.6 -4.1 63 63 A I E -EF 53 72B 0 9,-3.1 8,-2.8 -2,-0.4 9,-1.7 -0.937 17.2-179.9-105.7 135.5 31.9 -5.2 -3.6 64 64 A K E -EF 52 70B 82 -12,-2.2 -12,-2.6 -2,-0.4 6,-0.2 -0.975 19.8-128.1-133.3 146.0 33.4 -7.0 -0.6 65 65 A N > - 0 0 27 4,-2.3 3,-1.4 -2,-0.3 -15,-0.2 -0.105 45.7 -77.8 -82.7-174.1 33.0 -10.6 0.6 66 66 A G T 3 S+ 0 0 42 -17,-2.1 -16,-0.1 1,-0.3 -1,-0.0 0.865 130.4 52.2 -50.4 -43.3 32.0 -11.9 4.0 67 67 A D T 3 S- 0 0 147 -18,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.663 120.0-106.0 -67.4 -22.6 35.5 -11.3 5.4 68 68 A G S < S+ 0 0 45 -3,-1.4 2,-0.4 1,-0.3 -2,-0.1 0.489 72.0 144.7 102.0 9.1 35.6 -7.7 4.2 69 69 A S - 0 0 56 1,-0.1 -4,-2.3 2,-0.0 -1,-0.3 -0.696 56.1-109.2 -88.0 130.2 38.0 -8.4 1.4 70 70 A T E +F 64 0B 65 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.374 38.6 170.6 -63.5 119.8 37.5 -6.4 -1.8 71 71 A V E + 0 0 33 -8,-2.8 2,-0.3 1,-0.3 -7,-0.2 0.766 66.6 3.9 -93.8 -37.0 36.1 -8.5 -4.7 72 72 A W E -F 63 0B 49 -9,-1.7 -9,-3.1 -28,-0.0 2,-0.3 -0.996 53.7-167.2-157.2 143.9 35.3 -5.7 -7.2 73 73 A K E -F 62 0B 111 -2,-0.3 -11,-0.2 -11,-0.2 -13,-0.0 -0.977 26.7-134.2-131.0 147.3 35.7 -1.9 -7.6 74 74 A S - 0 0 16 -13,-2.3 -12,-0.1 -2,-0.3 3,-0.1 0.683 35.8-142.2 -73.7 -19.1 34.0 0.4 -10.3 75 75 A G + 0 0 60 -14,-0.3 2,-0.4 1,-0.2 -15,-0.1 0.729 64.0 106.3 67.9 23.0 37.4 2.1 -10.8 76 76 A A + 0 0 26 -15,-0.1 2,-0.3 -17,-0.1 -15,-0.2 -0.995 44.7 172.5-134.1 131.0 36.1 5.6 -11.3 77 77 A Q - 0 0 134 -2,-0.4 2,-0.2 -17,-0.1 -18,-0.2 -0.944 13.1-179.2-140.8 152.1 36.6 8.1 -8.5 78 78 A S - 0 0 48 -20,-2.4 3,-0.1 -2,-0.3 -18,-0.1 -0.688 46.5 -45.1-136.4-167.5 36.2 11.8 -7.8 79 79 A V S S- 0 0 92 -2,-0.2 -1,-0.3 1,-0.1 2,-0.3 -0.020 72.6 -79.9 -59.7 166.8 36.8 14.3 -4.9 80 80 A K S S+ 0 0 137 -22,-0.1 2,-0.3 18,-0.1 -22,-0.2 -0.520 83.4 83.5 -71.8 131.7 35.8 13.5 -1.3 81 81 A G S S- 0 0 22 -24,-2.2 2,-0.4 -2,-0.3 -22,-0.2 -0.968 79.1 -37.1 172.8-155.9 32.2 14.0 -0.4 82 82 A N - 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