==== 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 22-MAY-96 1JAC . COMPND 2 MOLECULE: JACALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS HETEROPHYLLUS; . AUTHOR R.SANKARANARAYANAN,K.SEKAR,R.BANERJEE,V.SHARMA,A.SUROLIA,M.V . 592 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 72.1 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 . 309 52.2 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 83 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 4 0 12 1 12 3 4 0 4 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 4 8 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 73 0, 0.0 2,-0.5 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0-174.1 32.6 63.7 67.2 2 2 A K E -A 120 0A 146 118,-2.9 118,-2.2 1,-0.0 2,-0.2 -0.713 360.0-134.0 -90.1 129.1 30.0 66.0 65.6 3 3 A A E +A 119 0A 62 -2,-0.5 2,-0.3 116,-0.2 116,-0.3 -0.517 26.6 176.0 -82.8 140.7 31.1 69.5 64.9 4 4 A F E -A 118 0A 23 114,-2.9 114,-2.2 -2,-0.2 2,-0.2 -0.902 14.9-174.4-137.2 166.2 28.9 72.5 65.8 5 5 A D E -A 117 0A 85 -2,-0.3 112,-0.2 112,-0.2 -2,-0.0 -0.714 4.8-174.5-166.2 103.7 29.2 76.2 65.5 6 6 A D - 0 0 31 110,-1.5 2,-0.2 1,-0.2 111,-0.2 0.865 35.1-148.6 -72.8 -38.7 26.5 78.5 67.0 7 7 A G - 0 0 15 109,-1.1 2,-0.4 2,-0.0 109,-0.3 -0.675 30.8 -36.6 106.2-159.4 28.0 81.7 65.7 8 8 A A + 0 0 52 -2,-0.2 107,-0.2 107,-0.1 2,-0.2 -0.889 55.1 163.6-114.4 136.8 28.0 85.2 67.1 9 9 A F - 0 0 38 105,-2.6 25,-0.2 -2,-0.4 3,-0.1 -0.499 50.1 -90.4-129.0-164.5 25.2 86.9 69.0 10 10 A T S S- 0 0 66 23,-2.1 2,-0.3 1,-0.2 24,-0.2 0.746 90.1 -37.1 -87.7 -31.5 24.8 90.0 71.2 11 11 A G E -E 33 0B 8 22,-1.2 22,-2.4 103,-0.2 2,-0.4 -0.966 62.6 -87.4-172.5-173.5 25.4 88.4 74.6 12 12 A I E +E 32 0B 14 -2,-0.3 20,-0.2 20,-0.3 3,-0.1 -0.955 29.6 170.6-121.7 129.8 24.8 85.3 76.7 13 13 A R E - 0 0 60 18,-2.0 45,-2.4 -2,-0.4 2,-0.3 0.819 67.4 -3.1-101.8 -40.0 21.8 84.6 78.9 14 14 A E E -EF 31 57B 41 17,-1.9 17,-2.1 43,-0.2 2,-0.4 -0.989 52.8-153.6-154.1 151.6 22.1 81.1 80.1 15 15 A I E -EF 30 56B 0 41,-2.3 41,-2.9 -2,-0.3 2,-0.5 -0.999 5.9-169.2-133.4 127.4 24.4 78.1 79.6 16 16 A N E +EF 29 55B 35 13,-2.6 13,-1.5 -2,-0.4 2,-0.2 -0.907 21.2 158.7-120.1 101.1 23.2 74.4 80.0 17 17 A L E -EF 28 54B 3 37,-0.9 37,-1.8 -2,-0.5 2,-0.3 -0.624 25.8-143.0-114.1 176.4 26.1 71.9 80.0 18 18 A S E + F 0 53B 5 9,-1.7 8,-2.4 35,-0.2 2,-0.3 -0.974 19.7 174.5-141.0 150.2 26.4 68.4 81.3 19 19 A Y E - F 0 52B 41 33,-1.9 33,-2.7 -2,-0.3 2,-0.3 -0.898 25.1-140.7-149.0 177.5 29.2 66.5 83.0 20 20 A N - 0 0 48 4,-0.4 3,-0.2 -2,-0.3 78,-0.2 -0.980 21.6-135.6-144.8 128.1 30.4 63.4 84.7 21 21 A K S S+ 0 0 168 -2,-0.3 4,-0.1 1,-0.2 30,-0.0 0.590 103.6 38.1 -63.4 -12.9 32.7 63.5 87.8 22 22 A E S S+ 0 0 102 2,-0.1 -1,-0.2 76,-0.1 529,-0.1 0.622 127.0 24.2-109.3 -24.9 34.9 60.7 86.4 23 23 A T S S- 0 0 8 1,-0.2 75,-0.3 -3,-0.2 2,-0.2 0.616 98.2 -88.9-105.2 -94.7 35.1 61.4 82.7 24 24 A A - 0 0 0 73,-0.1 -4,-0.4 51,-0.0 -1,-0.2 -0.890 53.4 -42.0-166.6-170.7 34.5 64.9 81.3 25 25 A I + 0 0 0 56,-1.5 99,-2.5 -2,-0.2 -6,-0.3 -0.496 51.3 169.7 -73.3 141.0 31.9 67.4 79.9 26 26 A G + 0 0 0 -8,-2.4 -1,-0.1 1,-0.3 -7,-0.1 0.553 48.0 40.3-114.2 -98.7 29.2 66.0 77.7 27 27 A D - 0 0 41 -10,-0.1 -9,-1.7 -8,-0.1 2,-0.3 -0.141 60.9-171.2 -58.4 150.1 26.1 67.9 76.6 28 28 A F E +EG 17 44B 4 16,-2.2 16,-2.0 -11,-0.2 2,-0.3 -0.916 16.2 146.2-152.6 124.3 26.3 71.6 75.6 29 29 A Q E -E 16 0B 26 -13,-1.5 -13,-2.6 -2,-0.3 2,-0.3 -0.977 17.4-167.5-150.5 155.1 23.8 74.2 74.8 30 30 A V E -E 15 0B 0 12,-0.4 11,-1.7 -2,-0.3 2,-0.6 -0.995 15.8-144.7-150.6 137.8 23.4 78.0 75.3 31 31 A V E -EH 14 40B 16 -17,-2.1 -18,-2.0 -2,-0.3 -17,-1.9 -0.941 31.2-160.2-104.1 122.0 20.6 80.5 75.0 32 32 A Y E -EH 12 39B 0 7,-2.9 7,-1.9 -2,-0.6 2,-0.5 -0.378 20.8-110.0 -96.4 175.9 21.9 83.8 73.7 33 33 A D E -EH 11 38B 5 -22,-2.4 -23,-2.1 5,-0.2 -22,-1.2 -0.911 27.7-170.5-103.3 131.8 20.8 87.3 73.7 34 34 A L E > S- H 0 37B 65 3,-2.6 3,-1.3 -2,-0.5 -25,-0.0 -0.869 72.8 -42.1-126.3 91.0 19.8 88.5 70.2 35 35 A N T 3 S- 0 0 131 -2,-0.5 -1,-0.0 1,-0.3 -2,-0.0 0.915 123.2 -39.0 53.9 52.5 19.3 92.3 70.3 36 36 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.449 123.7 98.7 80.5 -0.1 17.5 92.2 73.7 37 37 A S E < S-H 34 0B 69 -3,-1.3 -3,-2.6 1,-0.0 -1,-0.2 -0.972 78.1-110.9-122.3 134.0 15.5 89.0 72.9 38 38 A P E -H 33 0B 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.149 29.5-165.9 -56.1 154.3 16.4 85.5 74.1 39 39 A Y E -H 32 0B 112 -7,-1.9 -7,-2.9 2,-0.0 2,-0.9 -0.830 13.1-141.6-147.9 106.6 17.6 83.1 71.4 40 40 A V E -H 31 0B 109 -2,-0.3 -9,-0.2 -9,-0.3 3,-0.1 -0.575 18.4-146.6 -78.6 106.9 17.8 79.4 72.2 41 41 A G - 0 0 10 -11,-1.7 -35,-0.0 -2,-0.9 -1,-0.0 -0.129 32.8 -82.7 -62.0 165.1 20.8 77.8 70.5 42 42 A Q - 0 0 144 1,-0.1 2,-0.6 -13,-0.1 -12,-0.4 -0.323 44.5-111.7 -69.2 150.4 20.7 74.3 69.3 43 43 A N - 0 0 77 -14,-0.1 2,-0.9 -3,-0.1 -14,-0.2 -0.785 24.8-155.9 -89.3 120.0 21.3 71.5 71.8 44 44 A H B -G 28 0B 25 -16,-2.0 -16,-2.2 -2,-0.6 2,-0.1 -0.830 20.3-161.3-100.1 97.3 24.6 69.7 71.1 45 45 A K - 0 0 140 -2,-0.9 2,-0.1 -18,-0.2 75,-0.1 -0.415 16.9-117.0 -85.7 154.6 24.2 66.3 72.6 46 46 A S - 0 0 13 2,-0.2 76,-0.2 -2,-0.1 77,-0.1 -0.399 26.3-121.1 -77.1 159.1 26.7 63.7 73.6 47 47 A F S S+ 0 0 129 74,-2.0 75,-0.2 -2,-0.1 2,-0.2 0.778 97.1 35.5 -73.2 -26.5 26.6 60.3 71.8 48 48 A I S S- 0 0 62 74,-0.3 -2,-0.2 73,-0.2 2,-0.2 -0.482 77.5-134.8-115.0-175.5 26.0 58.6 75.2 49 49 A T + 0 0 128 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.609 57.3 94.9-130.3-169.5 24.1 59.4 78.4 50 50 A G + 0 0 57 1,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.793 57.2 138.3 90.4 32.4 24.4 59.3 82.2 51 51 A F - 0 0 27 -3,-0.1 -1,-0.2 -31,-0.1 -31,-0.2 -0.571 53.9-119.2-103.6 168.3 25.5 62.8 82.8 52 52 A T E -F 19 0B 71 -33,-2.7 -33,-1.9 -2,-0.2 2,-0.2 -0.952 30.5-134.1-110.1 124.8 24.5 65.3 85.5 53 53 A P E -F 18 0B 108 0, 0.0 2,-0.4 0, 0.0 -35,-0.2 -0.487 19.4-171.4 -80.2 152.2 22.9 68.5 84.1 54 54 A V E -F 17 0B 24 -37,-1.8 -37,-0.9 -2,-0.2 2,-0.5 -0.995 9.6-153.7-143.2 135.4 23.7 72.1 85.3 55 55 A K E -F 16 0B 125 -2,-0.4 2,-0.6 -39,-0.2 -39,-0.2 -0.972 5.0-166.7-115.3 126.2 21.9 75.2 84.4 56 56 A I E -F 15 0B 2 -41,-2.9 -41,-2.3 -2,-0.5 2,-0.6 -0.884 8.4-177.7-116.0 92.9 23.8 78.5 84.5 57 57 A S E -F 14 0B 57 -2,-0.6 -43,-0.2 -43,-0.2 2,-0.2 -0.864 9.2-160.6 -93.3 117.8 21.4 81.5 84.3 58 58 A L - 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