==== 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 SUGAR BINDING PROTEIN 03-JUL-03 1PXD . COMPND 2 MOLECULE: AGGLUTININ ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS INTEGER; . AUTHOR M.GOEL,P.ANURADHA,K.J.KAUR,B.G.MAIYA,M.J.SWAMY,D.M.SALUNKE . 149 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 69.1 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 . 73 49.0 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 20 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0 0 3 1 2 1 1 0 1 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 2 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 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 G 0 0 81 0, 0.0 2,-0.7 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0 176.8 35.9 32.4 22.2 2 2 A K E -A 120 0A 177 118,-2.7 118,-2.1 1,-0.0 2,-0.1 -0.792 360.0-136.1 -90.1 114.9 35.3 30.9 18.8 3 3 A A E -A 119 0A 71 -2,-0.7 2,-0.3 116,-0.3 116,-0.3 -0.353 24.1-176.9 -70.1 146.0 34.5 33.7 16.3 4 4 A F E -A 118 0A 20 114,-3.0 114,-2.9 -2,-0.1 2,-0.3 -0.976 13.6-172.7-141.4 155.8 31.7 33.2 13.7 5 5 A D E -A 117 0A 88 -2,-0.3 112,-0.2 112,-0.3 -2,-0.0 -0.812 6.5-176.5-152.2 103.4 30.4 35.4 10.9 6 6 A D - 0 0 28 110,-2.2 2,-0.2 -2,-0.3 111,-0.2 0.814 36.9-146.5 -71.6 -29.8 27.3 34.4 9.0 7 7 A G - 0 0 18 109,-0.7 109,-0.4 2,-0.0 2,-0.3 -0.511 33.1 -39.9 94.6-168.8 27.5 37.3 6.6 8 8 A A + 0 0 47 -2,-0.2 107,-0.2 107,-0.1 2,-0.2 -0.790 57.2 168.1-102.5 142.2 24.7 39.2 5.0 9 9 A F - 0 0 37 105,-2.4 25,-0.2 -2,-0.3 3,-0.1 -0.530 47.3 -93.7-131.3-163.9 21.4 37.8 3.6 10 10 A T S S- 0 0 61 23,-2.3 2,-0.3 1,-0.3 24,-0.2 0.582 90.2 -37.9 -96.5 -12.2 18.0 39.0 2.4 11 11 A G E -D 33 0B 7 22,-1.0 22,-2.6 103,-0.2 2,-0.4 -0.967 60.9 -90.5 171.6-179.6 16.2 38.8 5.7 12 12 A I E +D 32 0B 12 -2,-0.3 20,-0.2 20,-0.3 3,-0.1 -0.977 30.0 169.5-122.5 130.7 15.6 36.7 8.9 13 13 A R E + 0 0 62 18,-2.7 45,-2.4 -2,-0.4 2,-0.3 0.753 68.0 6.6-107.1 -36.7 13.1 33.9 9.2 14 14 A E E -DE 31 57B 43 17,-2.2 17,-3.5 43,-0.2 2,-0.4 -0.995 53.0-157.8-154.0 142.3 13.9 32.3 12.5 15 15 A I E -DE 30 56B 0 41,-2.5 41,-2.8 -2,-0.3 2,-0.5 -0.986 7.7-170.4-123.0 129.2 16.3 32.7 15.4 16 16 A N E +DE 29 55B 28 13,-3.5 13,-2.5 -2,-0.4 2,-0.3 -0.969 19.4 156.8-119.9 115.4 17.3 29.9 17.7 17 17 A L E -DE 28 54B 3 37,-1.7 37,-2.9 -2,-0.5 2,-0.3 -0.873 23.2-152.9-132.4 166.5 19.1 30.8 20.9 18 18 A S E + E 0 53B 2 9,-1.6 8,-2.7 -2,-0.3 2,-0.3 -0.956 16.1 171.1-137.6 157.1 19.7 29.2 24.3 19 19 A Y E -DE 25 52B 36 33,-1.7 33,-2.7 -2,-0.3 2,-0.4 -0.967 26.6-137.1-157.2 171.0 20.4 30.6 27.7 20 20 A N > - 0 0 52 4,-1.3 3,-1.7 -2,-0.3 78,-0.2 -0.987 21.4-136.1-138.8 124.2 20.8 29.9 31.5 21 21 A K T 3 S+ 0 0 151 -2,-0.4 4,-0.1 1,-0.3 30,-0.0 0.554 103.1 51.3 -57.7 -11.9 19.3 32.3 34.0 22 22 A E T 3 S+ 0 0 161 2,-0.1 -1,-0.3 76,-0.0 76,-0.0 0.604 126.0 10.2-101.9 -12.8 22.3 32.2 36.2 23 23 A T S < S- 0 0 31 -3,-1.7 2,-0.2 1,-0.2 75,-0.2 0.485 97.0 -75.5-127.0 -91.5 24.9 32.9 33.5 24 24 A A - 0 0 0 73,-0.1 -4,-1.3 48,-0.0 58,-0.2 -0.876 56.6 -46.1-162.4-169.1 24.3 34.1 29.9 25 25 A I E +D 19 0B 0 56,-1.9 99,-2.2 -2,-0.2 -6,-0.3 -0.548 49.3 175.9 -74.6 142.1 23.3 33.3 26.4 26 26 A G E + 0 0 0 -8,-2.7 2,-0.2 1,-0.3 -1,-0.1 0.788 51.8 31.6-112.4 -70.9 24.9 30.1 25.1 27 27 A D E - 0 0 19 18,-0.1 -9,-1.6 19,-0.1 2,-0.3 -0.613 58.7-173.0 -94.2 154.4 24.0 28.8 21.6 28 28 A F E +DF 17 44B 6 16,-2.6 16,-2.1 -11,-0.2 2,-0.3 -0.941 11.6 158.8-151.8 123.2 23.0 30.9 18.7 29 29 A Q E -D 16 0B 32 -13,-2.5 -13,-3.5 -2,-0.3 2,-0.4 -0.997 16.6-159.9-145.7 143.8 21.7 29.9 15.3 30 30 A V E -D 15 0B 0 12,-0.3 11,-2.3 -2,-0.3 2,-0.7 -0.969 14.0-150.1-130.4 139.9 19.7 31.8 12.6 31 31 A V E -DG 14 40B 19 -17,-3.5 -18,-2.7 -2,-0.4 -17,-2.2 -0.945 32.0-167.2-104.3 116.1 17.6 30.7 9.7 32 32 A Y E -DG 12 39B 0 7,-3.0 7,-2.5 -2,-0.7 2,-0.5 -0.435 22.2-117.4 -96.9 172.4 18.0 33.5 7.1 33 33 A D E -DG 11 38B 5 -22,-2.6 -23,-2.3 5,-0.2 -22,-1.0 -0.941 23.8-167.7-107.6 136.9 16.1 34.3 4.0 34 34 A L E > S- G 0 37B 70 3,-3.1 3,-1.5 -2,-0.5 -25,-0.0 -0.880 72.7 -41.4-127.4 95.2 18.2 34.1 0.8 35 35 A N T 3 S- 0 0 136 -2,-0.5 -1,-0.0 1,-0.3 -2,-0.0 0.865 124.8 -38.2 53.3 43.9 16.3 35.6 -2.0 36 36 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -25,-0.0 -3,-0.0 0.317 122.7 93.4 95.4 -9.8 13.0 34.1 -1.0 37 37 A S E < S-G 34 0B 72 -3,-1.5 -3,-3.1 2,-0.0 -1,-0.2 -0.907 80.9-105.0-116.7 146.4 14.2 30.7 0.2 38 38 A P E -G 33 0B 85 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.411 30.6-164.5 -69.1 144.2 15.2 29.7 3.7 39 39 A Y E -G 32 0B 110 -7,-2.5 -7,-3.0 -2,-0.1 2,-0.6 -0.966 12.8-142.2-131.6 112.9 19.0 29.4 4.3 40 40 A V E -G 31 0B 103 -2,-0.4 -9,-0.2 -9,-0.2 2,-0.1 -0.642 17.9-146.5 -79.7 117.1 20.0 27.6 7.5 41 41 A G - 0 0 7 -11,-2.3 -35,-0.0 -2,-0.6 3,-0.0 -0.413 32.4 -80.8 -80.6 162.2 23.0 29.2 9.1 42 42 A Q - 0 0 151 1,-0.1 2,-0.6 -2,-0.1 -12,-0.3 -0.293 45.7-113.4 -59.9 140.2 25.6 27.3 11.0 43 43 A N - 0 0 82 -14,-0.1 2,-0.9 -3,-0.1 -14,-0.2 -0.666 26.8-153.4 -78.3 118.5 24.7 26.4 14.5 44 44 A H B -F 28 0B 26 -16,-2.1 -16,-2.6 -2,-0.6 2,-0.3 -0.841 22.4-167.4 -96.7 107.3 27.1 28.3 16.8 45 45 A K - 0 0 118 -2,-0.9 -18,-0.1 -18,-0.2 75,-0.1 -0.755 21.3-119.8-107.5 145.9 27.4 26.3 19.9 46 46 A S - 0 0 11 -2,-0.3 76,-0.2 2,-0.2 77,-0.1 -0.324 26.7-122.6 -68.7 155.1 28.7 26.8 23.4 47 47 A F S S+ 0 0 163 74,-2.0 2,-0.2 -21,-0.1 75,-0.2 0.788 95.1 49.5 -71.2 -26.8 31.5 24.5 24.6 48 48 A I S S- 0 0 54 74,-0.3 2,-0.2 73,-0.2 -2,-0.2 -0.521 77.7-130.6-107.7 176.2 29.4 23.5 27.6 49 49 A T + 0 0 129 -2,-0.2 -2,-0.0 1,-0.1 -1,-0.0 -0.675 61.1 91.8-118.8 173.0 25.8 22.3 28.0 50 50 A G + 0 0 50 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.820 52.7 131.6 106.5 45.4 22.9 23.3 30.3 51 51 A F - 0 0 28 -31,-0.1 -1,-0.3 -3,-0.1 -31,-0.2 -0.995 54.6-126.9-131.0 133.3 21.0 25.9 28.4 52 52 A T E -E 19 0B 87 -33,-2.7 -33,-1.7 -2,-0.4 2,-0.2 -0.644 32.9-127.9 -77.7 131.1 17.2 26.1 27.8 53 53 A P E -E 18 0B 107 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.520 21.5-165.1 -83.1 146.2 16.5 26.4 24.0 54 54 A V E -E 17 0B 24 -37,-2.9 -37,-1.7 -2,-0.2 2,-0.5 -0.995 5.2-158.4-132.6 134.7 14.3 29.2 22.5 55 55 A K E -E 16 0B 124 -2,-0.4 2,-0.6 -39,-0.2 -39,-0.2 -0.968 4.1-170.5-117.6 123.9 12.8 29.3 19.0 56 56 A I E -E 15 0B 1 -41,-2.8 -41,-2.5 -2,-0.5 2,-0.6 -0.941 7.2-172.1-114.4 103.6 11.7 32.6 17.6 57 57 A S E -E 14 0B 68 -2,-0.6 2,-0.3 -43,-0.2 -43,-0.2 -0.895 8.9-156.0-101.3 117.0 9.7 32.0 14.4 58 58 A L - 0 0 16 -45,-2.4 2,-2.3 -2,-0.6 4,-0.0 -0.668 23.9-122.0 -93.2 144.7 9.0 35.2 12.5 59 59 A D >> - 0 0 88 -2,-0.3 4,-1.9 2,-0.1 3,-0.7 -0.490 54.2-132.7 -82.5 70.2 6.1 35.6 10.1 60 60 A F T 34 S+ 0 0 55 -2,-2.3 4,-0.1 1,-0.3 -47,-0.1 -0.415 73.7 13.0 -64.5 140.3 8.5 36.5 7.3 61 61 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.989 128.8 47.5 -96.4 1.1 8.3 38.8 5.4 62 62 A S T <4 S+ 0 0 55 -3,-0.7 2,-0.5 1,-0.1 -2,-0.2 0.757 110.2 57.4 -71.3 -25.9 5.5 40.7 7.1 63 63 A E < + 0 0 8 -4,-1.9 2,-0.3 26,-0.1 -1,-0.1 -0.927 66.8 159.2-109.8 130.0 7.2 40.5 10.6 64 64 A Y - 0 0 94 -2,-0.5 25,-1.2 -4,-0.1 26,-0.2 -0.988 44.4 -90.8-147.0 153.1 10.7 41.9 11.0 65 65 A I E +H 88 0C 10 -2,-0.3 48,-0.3 23,-0.2 23,-0.3 -0.424 35.0 172.5 -68.0 135.1 12.9 43.0 13.9 66 66 A M E + 0 0 71 21,-3.2 42,-3.0 1,-0.3 2,-0.3 0.477 68.4 22.1-117.1 -15.3 12.7 46.7 14.8 67 67 A E E -HI 87 107C 51 20,-1.7 20,-2.8 40,-0.2 2,-0.5 -0.939 54.2-167.6-158.7 135.7 14.8 46.7 18.0 68 68 A V E +HI 86 106C 0 38,-1.7 38,-3.3 -2,-0.3 2,-0.3 -0.988 22.4 162.7-121.5 128.6 17.4 44.5 19.6 69 69 A S E +HI 85 105C 26 16,-2.2 16,-2.7 -2,-0.5 2,-0.3 -0.909 4.0 132.8-139.8 167.1 18.3 45.1 23.2 70 70 A G E -HI 84 104C 3 34,-2.0 34,-1.8 -2,-0.3 2,-0.3 -0.972 43.0 -88.7 178.0-163.5 20.1 43.3 26.0 71 71 A Y E -HI 83 103C 73 12,-1.3 11,-1.9 -2,-0.3 12,-1.5 -0.987 19.5-158.4-137.4 143.6 22.7 43.3 28.7 72 72 A T E +HI 81 102C 21 30,-2.2 30,-3.0 -2,-0.3 2,-0.3 -0.953 30.2 145.3-119.4 143.4 26.4 42.6 28.8 73 73 A G E -H 80 0C 10 7,-2.4 7,-2.5 -2,-0.4 2,-0.4 -0.969 47.3 -68.2-163.5 178.5 28.1 41.8 32.1 74 74 A N E +H 79 0C 110 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.649 38.3 173.0 -85.7 129.9 30.7 39.8 33.9 75 75 A V E > S-H 78 0C 11 3,-2.6 3,-1.7 -2,-0.4 -52,-0.1 -0.962 75.9 -21.5-135.6 115.6 30.5 36.0 34.2 76 76 A S T 3 S- 0 0 105 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.854 129.0 -46.5 53.4 42.5 33.5 34.2 35.7 77 77 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.195 120.2 91.4 91.5 -18.5 35.9 37.0 35.0 78 78 A Y E < S-H 75 0C 176 -3,-1.7 -3,-2.6 -5,-0.0 2,-0.4 -0.849 75.3-114.8-116.6 152.3 34.9 37.8 31.3 79 79 A V E +H 74 0C 52 -2,-0.3 70,-0.5 -5,-0.2 2,-0.3 -0.660 45.7 161.9 -81.3 130.6 32.5 40.1 29.7 80 80 A V E -H 73 0C 1 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.8 -0.903 48.7 -93.5-142.0 168.5 29.6 38.3 27.9 81 81 A V E +H 72 0C 0 43,-3.0 -56,-1.9 -2,-0.3 43,-0.3 -0.797 41.5 177.5 -85.3 112.3 26.2 39.0 26.5 82 82 A R E + 0 0 41 -11,-1.9 16,-2.2 -2,-0.8 2,-0.3 0.706 59.6 18.7 -91.5 -19.9 23.9 37.9 29.4 83 83 A S E -HJ 71 97C 0 -12,-1.5 -12,-1.3 14,-0.3 2,-0.3 -0.999 55.7-169.4-152.9 149.9 20.6 38.8 27.9 84 84 A L E -HJ 70 96C 1 12,-1.8 12,-2.4 -2,-0.3 2,-0.4 -0.997 0.4-173.2-142.6 143.6 18.8 39.5 24.6 85 85 A T E -H 69 0C 20 -16,-2.7 -16,-2.2 -2,-0.3 2,-0.5 -0.999 8.1-159.9-135.1 133.7 15.4 40.9 23.7 86 86 A F E -HJ 68 93C 2 7,-3.0 7,-3.5 -2,-0.4 2,-0.5 -0.965 5.1-169.7-119.5 121.0 14.0 41.1 20.1 87 87 A K E -HJ 67 92C 97 -20,-2.8 -21,-3.2 -2,-0.5 -20,-1.7 -0.942 8.2-178.3-111.0 126.0 11.1 43.4 19.4 88 88 A T E -H 65 0C 4 3,-3.2 -23,-0.2 -2,-0.5 -25,-0.1 -0.498 47.9 -95.4-107.8-177.4 9.4 43.1 16.0 89 89 A N S S+ 0 0 70 -25,-1.2 -24,-0.1 -2,-0.2 3,-0.1 0.661 126.2 44.6 -73.1 -12.1 6.6 45.1 14.5 90 90 A K S S- 0 0 98 1,-0.3 2,-0.3 -26,-0.2 -1,-0.2 0.877 123.3 -34.3 -97.3 -49.5 4.3 42.4 15.8 91 91 A K - 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