==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 15-OCT-10 3P8S . COMPND 2 MOLECULE: JACALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS HETEROPHYLLUS; . AUTHOR U.SHARMA,N.AHMED,M.V.KRISHNASASTRY,C.G.SURESH . 302 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 70.2 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 . 156 51.7 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 36 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 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 3 0 6 2 4 1 3 0 2 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 4 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 3 A Q 0 0 253 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.5 25.1 4.8 64.8 2 4 A S - 0 0 84 2,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.569 360.0-109.4 -95.9 170.8 27.8 4.9 62.1 3 5 A G S S+ 0 0 87 -2,-0.2 2,-0.5 2,-0.1 -1,-0.0 0.142 89.8 93.7 -88.0 19.7 30.7 7.4 62.1 4 6 A I S S- 0 0 140 0, 0.0 -2,-0.2 0, 0.0 0, 0.0 -0.959 73.9-127.0-118.1 127.0 29.4 9.4 59.1 5 7 A S - 0 0 112 -2,-0.5 2,-0.3 1,-0.1 -2,-0.1 -0.266 26.2-148.9 -69.5 154.8 27.2 12.5 59.6 6 8 A Q - 0 0 123 0, 0.0 2,-0.3 0, 0.0 299,-0.1 -0.861 13.2-170.4-127.0 160.7 23.9 12.7 57.8 7 9 A T - 0 0 20 -2,-0.3 143,-0.1 143,-0.1 2,-0.1 -0.939 39.3 -82.2-140.8 163.2 21.6 15.4 56.4 8 10 A V E -A 149 0A 8 141,-0.9 141,-2.5 -2,-0.3 2,-0.4 -0.432 44.1-164.9 -62.4 135.7 18.1 15.6 55.0 9 11 A I E -AB 148 282A 16 273,-2.2 272,-2.3 139,-0.2 273,-2.2 -0.989 4.3-167.0-127.3 126.3 17.9 14.5 51.4 10 12 A V E -AB 147 280A 0 137,-2.5 137,-2.7 -2,-0.4 270,-0.3 -0.878 38.0 -12.5-110.5 146.0 14.9 15.2 49.1 11 13 A G E - 0 0 2 268,-2.6 135,-0.2 -2,-0.4 2,-0.1 -0.749 23.7-141.5 119.7-170.5 14.3 13.5 45.7 12 14 A P E - 0 0 61 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.485 34.4-174.9 -81.4 155.9 15.0 11.9 43.4 13 15 A W E +A 145 0A 6 132,-2.4 132,-1.6 -3,-0.2 2,-0.4 -0.965 57.1 26.9-107.3 137.3 13.3 13.8 40.5 14 16 A G E S+A 144 0A 18 -2,-0.4 130,-0.3 130,-0.2 84,-0.2 -0.923 105.7 15.8 118.0-143.4 13.4 12.1 37.1 15 17 A A - 0 0 12 128,-2.8 130,-0.1 82,-0.5 83,-0.0 -0.130 45.1-154.6 -63.7 158.5 13.7 8.4 36.4 16 18 A K 0 0 204 128,-0.1 -1,-0.1 -3,-0.0 128,-0.1 0.008 360.0 360.0-115.8 23.4 13.1 5.6 38.9 17 19 A V 0 0 166 80,-0.2 126,-0.0 126,-0.1 127,-0.0 -0.105 360.0 360.0 -66.4 360.0 15.4 3.2 37.0 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 25 A G 0 0 76 0, 0.0 2,-0.6 0, 0.0 120,-0.3 0.000 360.0 360.0 360.0 152.3 23.7 6.1 33.6 20 26 A K E -C 138 0A 157 118,-2.9 118,-2.1 119,-0.0 2,-0.1 -0.879 360.0-134.8 -97.5 121.4 26.7 6.7 35.9 21 27 A A E -C 137 0A 77 -2,-0.6 2,-0.3 116,-0.2 116,-0.3 -0.443 24.8-176.5 -73.0 145.0 25.6 7.5 39.5 22 28 A F E -C 136 0A 22 114,-3.0 114,-2.3 -2,-0.1 2,-0.3 -0.976 15.1-171.5-139.1 154.9 27.3 10.3 41.4 23 29 A D E -C 135 0A 86 -2,-0.3 112,-0.2 112,-0.2 -2,-0.0 -0.823 6.6-178.7-149.9 104.1 27.1 11.7 44.9 24 30 A D - 0 0 28 110,-2.2 111,-0.2 -2,-0.3 2,-0.1 0.821 35.7-150.2 -69.6 -32.4 28.9 14.9 45.8 25 31 A G - 0 0 17 109,-0.6 109,-0.4 2,-0.0 2,-0.3 -0.455 34.1 -38.0 85.6-164.6 27.7 14.7 49.4 26 32 A A + 0 0 47 107,-0.1 107,-0.2 -2,-0.1 2,-0.2 -0.747 56.7 171.4-106.4 142.1 27.1 17.7 51.7 27 33 A F - 0 0 38 105,-2.3 25,-0.2 -2,-0.3 3,-0.1 -0.524 46.8 -93.3-131.4-166.0 29.0 21.0 51.9 28 34 A T S S- 0 0 59 23,-2.7 2,-0.3 1,-0.3 24,-0.2 0.717 90.2 -49.0 -88.4 -23.6 28.8 24.5 53.6 29 35 A G E -E 51 0B 6 22,-1.1 22,-2.8 103,-0.2 2,-0.4 -0.971 60.8 -79.5 171.4-172.0 27.0 26.2 50.6 30 36 A I E +E 50 0B 14 20,-0.3 20,-0.2 -2,-0.3 3,-0.1 -0.973 30.5 168.3-127.9 128.0 27.0 26.7 46.9 31 37 A R E + 0 0 71 18,-2.8 45,-2.0 -2,-0.4 2,-0.3 0.758 69.7 3.1-103.6 -38.9 29.2 29.2 45.0 32 38 A E E -EF 49 75B 41 17,-1.9 17,-3.4 43,-0.2 2,-0.5 -0.991 52.2-155.9-157.6 137.8 28.7 28.2 41.3 33 39 A I E -EF 48 74B 0 41,-2.3 41,-3.1 -2,-0.3 2,-0.5 -0.984 8.6-167.8-118.1 128.6 26.8 25.8 39.2 34 40 A N E +EF 47 73B 29 13,-3.7 13,-2.6 -2,-0.5 2,-0.3 -0.974 20.7 158.3-112.3 122.0 27.9 24.7 35.7 35 41 A L E -EF 46 72B 4 37,-2.2 37,-3.2 -2,-0.5 2,-0.3 -0.879 25.9-147.6-132.5 168.8 25.4 22.8 33.6 36 42 A S E + F 0 71B 2 9,-1.6 8,-2.4 -2,-0.3 2,-0.3 -0.981 16.2 179.3-135.7 152.7 24.8 22.1 29.9 37 43 A Y E -EF 43 70B 40 33,-1.8 33,-3.3 -2,-0.3 2,-0.4 -0.951 23.1-141.2-144.7 160.8 21.6 21.6 28.0 38 44 A N > - 0 0 45 4,-1.8 3,-1.2 -2,-0.3 78,-0.2 -0.992 17.3-141.8-127.0 121.9 20.3 20.9 24.5 39 45 A K T 3 S+ 0 0 159 -2,-0.4 4,-0.1 1,-0.3 30,-0.0 0.422 102.5 46.9 -65.6 4.1 17.2 22.8 23.4 40 46 A E T 3 S+ 0 0 161 2,-0.2 -1,-0.3 76,-0.1 -3,-0.0 0.614 127.6 9.8-113.3 -24.1 16.0 19.7 21.6 41 47 A T S < S- 0 0 32 -3,-1.2 2,-0.2 1,-0.3 75,-0.2 0.631 97.2 -76.3-121.5 -86.4 16.6 17.0 24.3 42 48 A A - 0 0 0 73,-0.1 -4,-1.8 48,-0.0 2,-0.3 -0.827 57.0 -42.5-165.1-165.5 17.5 17.6 28.0 43 49 A I E +E 37 0B 0 56,-2.0 99,-2.7 -2,-0.2 -6,-0.3 -0.679 46.7 173.1 -86.1 135.6 20.2 18.5 30.5 44 50 A G E + 0 0 0 -8,-2.4 -1,-0.2 -2,-0.3 -7,-0.1 0.681 51.6 33.8-102.8 -90.3 23.7 16.9 30.1 45 51 A D E - 0 0 40 18,-0.1 -9,-1.6 19,-0.1 2,-0.3 -0.278 54.0-175.0 -78.3 151.2 26.5 18.0 32.3 46 52 A L E +EG 35 62B 9 16,-2.5 16,-2.3 -11,-0.2 2,-0.3 -0.960 11.5 159.4-144.3 127.8 26.4 19.1 35.9 47 53 A Q E -E 34 0B 32 -13,-2.6 -13,-3.7 -2,-0.3 2,-0.4 -0.958 17.1-161.0-151.3 131.9 29.3 20.4 38.0 48 54 A V E -E 33 0B 0 12,-0.4 11,-2.3 -2,-0.3 2,-0.7 -0.924 15.4-148.9-121.8 134.3 29.1 22.5 41.2 49 55 A V E -EH 32 58B 17 -17,-3.4 -18,-2.8 -2,-0.4 -17,-1.9 -0.923 33.1-166.3 -95.5 115.5 31.6 24.7 43.0 50 56 A Y E -EH 30 57B 0 7,-3.0 7,-2.5 -2,-0.7 2,-0.5 -0.507 21.9-116.1 -95.5 165.1 30.7 24.3 46.6 51 57 A D E -EH 29 56B 5 -22,-2.8 -23,-2.7 5,-0.2 -22,-1.1 -0.896 25.2-170.6 -92.7 136.9 31.7 26.3 49.7 52 58 A L E > S- H 0 55B 73 3,-2.8 3,-1.2 -2,-0.5 -25,-0.0 -0.876 72.7 -42.9-126.6 97.2 33.7 24.3 52.2 53 59 A N T 3 S- 0 0 138 -2,-0.4 -2,-0.0 1,-0.3 -26,-0.0 0.821 124.1 -37.7 52.6 39.7 34.0 26.3 55.4 54 60 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 -25,-0.0 -3,-0.0 0.459 121.5 93.8 96.3 2.0 34.8 29.5 53.5 55 61 A S E < S-H 52 0B 73 -3,-1.2 -3,-2.8 2,-0.0 -1,-0.3 -0.962 79.9-105.4-122.4 145.3 36.9 28.2 50.7 56 62 A P E -H 51 0B 85 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.419 31.3-165.6 -63.9 140.8 35.8 27.2 47.2 57 63 A Y E -H 50 0B 112 -7,-2.5 -7,-3.0 -2,-0.1 2,-0.7 -0.972 14.1-140.3-131.0 117.6 35.7 23.4 46.6 58 64 A V E -H 49 0B 101 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.671 18.4-145.5 -84.9 112.8 35.4 22.3 43.0 59 65 A G - 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0 0 18 -45,-2.0 2,-1.9 -2,-0.8 4,-0.0 -0.501 23.3-118.5 -80.7 146.9 26.3 33.2 42.7 77 83 A D > - 0 0 80 -2,-0.2 4,-2.9 2,-0.1 3,-0.4 -0.560 54.5-130.8 -82.3 74.8 27.2 36.2 44.8 78 84 A F T 4 S+ 0 0 55 -2,-1.9 4,-0.1 1,-0.3 -47,-0.1 -0.534 73.2 8.7 -73.4 137.1 28.2 34.0 47.8 79 85 A P T 4 S+ 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.995 129.7 47.6 -96.4 -0.9 27.3 34.2 50.6 80 86 A S T 4 S+ 0 0 60 -3,-0.4 2,-0.5 1,-0.1 -2,-0.2 0.805 108.6 60.3 -70.5 -28.2 24.6 36.9 50.3 81 87 A E < + 0 0 8 -4,-2.9 2,-0.3 25,-0.1 -5,-0.1 -0.875 65.6 158.3-104.1 131.9 22.9 35.2 47.3 82 88 A Y - 0 0 105 -2,-0.5 25,-1.1 -4,-0.1 2,-0.2 -0.985 45.0 -90.2-150.2 155.5 21.5 31.6 47.6 83 89 A I E +I 106 0C 10 -2,-0.3 48,-0.3 23,-0.2 23,-0.3 -0.487 34.8 173.3 -75.0 129.1 19.0 29.4 45.9 84 90 A M E + 0 0 61 21,-3.2 42,-2.9 1,-0.3 2,-0.3 0.601 68.4 20.1-106.7 -21.6 15.4 29.6 47.2 85 91 A E E -IJ 105 125C 52 20,-1.8 20,-2.9 40,-0.2 2,-0.4 -0.977 54.3-165.5-151.8 138.2 13.6 27.4 44.6 86 92 A V E +IJ 104 124C 0 38,-1.8 38,-3.5 -2,-0.3 2,-0.3 -0.992 22.0 167.4-119.0 127.7 14.6 24.8 42.1 87 93 A S E +IJ 103 123C 33 16,-2.3 16,-2.8 -2,-0.4 2,-0.3 -0.912 5.4 135.0-134.3 165.4 12.0 23.9 39.4 88 94 A G E -IJ 102 122C 1 34,-2.3 34,-2.4 -2,-0.3 2,-0.4 -0.974 41.4 -93.5 179.3-170.4 12.1 21.9 36.2 89 95 A Y E -IJ 101 121C 77 12,-1.2 11,-2.4 -2,-0.3 12,-1.4 -0.988 20.1-160.8-133.8 138.2 10.5 19.3 34.0 90 96 A T E +IJ 99 120C 21 30,-2.4 30,-3.3 -2,-0.4 2,-0.3 -0.944 29.4 136.3-114.8 144.8 11.0 15.6 33.6 91 97 A G E -I 98 0C 11 7,-2.1 7,-2.5 -2,-0.4 2,-0.2 -0.988 51.8 -60.4-170.8 173.4 9.9 13.6 30.5 92 98 A N E +I 97 0C 103 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.474 40.4 172.0 -67.3 127.6 10.6 11.0 27.9 93 99 A V E > S-I 96 0C 11 3,-2.8 3,-1.9 -2,-0.2 48,-0.1 -0.926 76.8 -25.1-133.1 115.0 13.6 11.5 25.6 94 100 A S T 3 S- 0 0 97 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 0.791 128.4 -45.3 57.0 34.3 14.4 8.5 23.4 95 101 A G T 3 S+ 0 0 62 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.200 120.1 100.4 98.3 -16.1 12.8 6.0 25.7 96 102 A Y E < S-I 93 0C 150 -3,-1.9 -3,-2.8 -5,-0.0 2,-0.7 -0.846 70.2-130.5-105.8 139.8 14.3 7.3 29.0 97 103 A V E +I 92 0C 67 -2,-0.4 -82,-0.5 -5,-0.2 2,-0.2 -0.796 46.5 161.2 -84.0 118.1 12.6 9.5 31.6 98 104 A V E -I 91 0C 0 -7,-2.5 -7,-2.1 -2,-0.7 2,-0.8 -0.806 50.0 -88.3-133.0 172.0 15.2 12.3 32.2 99 105 A V E +I 90 0C 0 43,-3.2 -56,-2.0 -2,-0.2 43,-0.3 -0.781 43.2 176.8 -86.6 111.3 15.4 15.8 33.6 100 106 A R E + 0 0 33 -11,-2.4 16,-2.0 -2,-0.8 2,-0.3 0.776 59.3 20.4 -89.7 -27.9 14.6 18.0 30.5 101 107 A S E -IK 89 115C 1 -12,-1.4 -12,-1.2 14,-0.3 2,-0.4 -0.991 56.4-171.2-147.5 148.0 14.7 21.5 32.1 102 108 A L E -IK 88 114C 5 12,-1.8 12,-2.4 -2,-0.3 2,-0.3 -0.999 2.8-179.2-139.7 136.8 16.1 23.2 35.2 103 109 A T E -I 87 0C 22 -16,-2.8 -16,-2.3 -2,-0.4 2,-0.5 -0.996 10.8-156.6-135.8 143.8 15.5 26.7 36.6 104 110 A F E -IK 86 111C 4 7,-2.8 7,-3.3 -2,-0.3 2,-0.6 -0.973 3.6-164.7-120.3 121.6 17.1 28.2 39.7 105 111 A K E -IK 85 110C 91 -20,-2.9 -21,-3.2 -2,-0.5 -20,-1.8 -0.932 12.1-179.2-108.0 122.5 15.6 31.1 41.6 106 112 A T E -I 83 0C 3 3,-3.3 -23,-0.2 -2,-0.6 -25,-0.1 -0.458 47.1 -96.9-101.8-178.0 17.7 32.9 44.1 107 113 A N S S+ 0 0 71 -25,-1.1 -24,-0.1 -2,-0.2 3,-0.1 0.604 125.6 34.5 -69.6 -12.6 17.0 35.9 46.5 108 114 A K S S- 0 0 118 1,-0.3 2,-0.3 -26,-0.2 -1,-0.1 0.780 124.7 -4.7-107.1 -38.9 18.5 38.1 43.7 109 115 A K - 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