==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 30-OCT-01 1J4S . COMPND 2 MOLECULE: ARTOCARPIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTOCARPUS INTEGER; . AUTHOR J.V.PRATAP,A.A.JEYAPRAKASH,P.G.RANI,K.SEKAR,A.SUROLIA, . 596 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 71.3 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 . 292 49.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 82 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 . 4 0.7 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 . 10 10 7 14 0 6 4 4 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 . 1 4 5 6 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 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 74 0, 0.0 325,-0.1 0, 0.0 375,-0.1 0.000 360.0 360.0 360.0 360.0 20.7 -12.9 22.6 2 ! 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 3 2 A S 0 0 27 0, 0.0 2,-0.1 0, 0.0 447,-0.1 0.000 360.0 360.0 360.0 134.0 20.7 -9.2 21.7 4 3 A Q - 0 0 75 446,-1.3 2,-0.3 -3,-0.1 446,-0.2 -0.381 360.0-155.6 -93.0 175.2 24.4 -8.0 21.6 5 4 A T - 0 0 21 -2,-0.1 2,-0.4 144,-0.1 144,-0.1 -0.927 36.9 -80.3-143.9 172.7 25.9 -4.5 22.3 6 5 A I B -A 148 0A 6 142,-1.1 142,-3.0 -2,-0.3 2,-0.7 -0.611 42.5-165.1 -79.2 123.8 29.0 -2.6 21.2 7 6 A T E -E 277 0B 13 270,-2.1 269,-2.5 -2,-0.4 270,-1.1 -0.821 11.8-179.0-113.9 91.0 31.9 -4.0 23.4 8 7 A V E -E 275 0B 0 -2,-0.7 138,-1.2 267,-0.2 2,-0.4 -0.809 41.2 -3.7 -91.9 129.3 34.7 -1.4 23.0 9 8 A G E -B 145 0A 4 265,-3.6 136,-0.2 -2,-0.5 264,-0.1 -0.833 34.5-154.9 120.7-140.1 38.0 -2.1 24.9 10 9 A S E - 0 0 49 134,-0.9 2,-0.5 -2,-0.4 135,-0.2 0.755 24.4-175.5 72.6 93.6 39.7 -4.4 27.3 11 10 A W E +B 144 0A 10 133,-1.8 133,-2.8 132,-0.1 2,-0.3 -0.597 46.3 48.0-104.6 114.7 42.3 -2.3 28.8 12 11 A G E S-B 143 0A 29 -2,-0.5 131,-0.3 131,-0.3 84,-0.2 -0.981 82.8 -45.3 159.3-138.2 44.6 -4.3 31.2 13 12 A G - 0 0 12 129,-1.8 81,-0.1 -2,-0.3 84,-0.1 -0.777 42.7 -99.6-131.4 176.2 46.5 -7.6 31.2 14 13 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 129,-0.1 0.564 89.0 62.3 -68.3 -19.0 46.5 -11.3 30.4 15 14 A G + 0 0 19 80,-0.3 2,-0.2 127,-0.1 -2,-0.2 -0.369 60.9 68.2-106.3-164.9 45.8 -12.9 33.8 16 15 A G S S- 0 0 24 -2,-0.1 2,-0.4 126,-0.1 122,-0.4 -0.649 91.9 -63.7 93.4-160.4 43.2 -13.0 36.5 17 16 A N E -C 137 0A 126 120,-1.4 120,-1.8 -2,-0.2 2,-0.1 -0.960 54.3-115.2-128.3 124.2 39.8 -14.8 35.8 18 17 A G E +C 136 0A 57 -2,-0.4 2,-0.4 118,-0.3 118,-0.3 -0.209 33.4 179.1 -61.5 134.2 37.4 -13.3 33.1 19 18 A W E -C 135 0A 22 116,-2.8 116,-0.7 -2,-0.1 2,-0.6 -0.952 12.3-173.6-138.6 126.4 34.0 -11.9 34.1 20 19 A D E -C 134 0A 90 -2,-0.4 114,-0.2 114,-0.2 -2,-0.0 -0.960 2.4-172.5-117.0 113.1 31.4 -10.3 31.7 21 20 A E - 0 0 6 112,-2.2 2,-0.1 -2,-0.6 113,-0.1 0.643 34.1-144.7 -77.3 -23.4 28.6 -8.8 33.7 22 21 A G - 0 0 8 111,-0.5 2,-0.3 32,-0.0 111,-0.3 -0.403 27.1 -36.7 103.6-156.1 26.6 -8.1 30.6 23 22 A S + 0 0 24 109,-0.2 2,-0.2 -2,-0.1 109,-0.2 -0.824 48.0 157.0-127.7 143.0 24.2 -5.3 29.6 24 23 A Y - 0 0 19 107,-1.6 23,-0.2 -2,-0.3 3,-0.1 -0.821 54.9 -83.9-142.4-173.4 21.6 -3.2 31.3 25 24 A T S S- 0 0 19 21,-1.5 278,-1.3 1,-0.3 2,-0.3 0.810 92.3 -50.6 -73.5 -31.6 19.8 0.2 30.9 26 25 A G E -F 46 0C 5 20,-0.8 20,-2.4 105,-0.2 2,-0.3 -0.940 62.8 -76.0 171.2 173.8 22.5 2.3 32.7 27 26 A I E +F 45 0C 14 103,-0.4 18,-0.2 -2,-0.3 3,-0.1 -0.617 30.9 171.0 -97.0 142.9 24.7 2.6 35.9 28 27 A R E S+ 0 0 64 16,-1.9 42,-0.7 1,-0.3 2,-0.4 0.737 70.2 11.3-113.8 -45.8 23.6 3.8 39.4 29 28 A Q E -FG 44 69C 38 15,-1.9 15,-2.1 40,-0.2 2,-0.5 -0.937 52.5-164.3-140.4 136.4 26.5 3.1 41.7 30 29 A I E -FG 43 68C 0 38,-2.8 38,-4.0 -2,-0.4 2,-0.5 -0.967 13.2-175.2-116.8 130.8 30.2 2.0 41.3 31 30 A E E +F 42 0C 65 11,-2.4 11,-0.8 -2,-0.5 2,-0.3 -0.842 10.2 165.7-130.0 109.8 32.0 0.7 44.4 32 31 A L E -F 41 0C 2 -2,-0.5 34,-2.5 34,-0.4 2,-0.4 -0.765 28.4-140.5-124.3 160.1 35.8 -0.2 44.3 33 32 A S E + H 0 65C 4 7,-1.3 6,-3.1 -2,-0.3 7,-0.4 -0.943 34.6 163.9-111.8 142.0 38.7 -1.0 46.9 34 33 A Y E +FH 38 64C 67 30,-3.3 30,-3.3 -2,-0.4 4,-0.2 -0.904 26.6 151.8-150.8 170.5 42.2 0.5 46.1 35 34 A K S S- 0 0 53 2,-1.7 79,-0.2 -2,-0.3 80,-0.1 -0.463 95.5 -16.1-161.6 -90.1 45.7 1.3 47.5 36 35 A E S S+ 0 0 69 78,-0.2 79,-0.7 -2,-0.2 2,-0.2 0.647 142.4 17.2-104.7 -9.6 48.5 1.2 44.9 37 36 A A S S- 0 0 0 77,-0.2 -2,-1.7 50,-0.0 2,-0.5 -0.826 93.9 -93.0-145.5 177.2 46.3 -0.8 42.4 38 37 A I E +F 34 0C 0 59,-1.8 103,-1.8 103,-0.3 -4,-0.2 -0.855 42.9 169.5 -95.9 138.9 42.5 -1.4 42.1 39 38 A G E + 0 0 1 -6,-3.1 2,-0.2 -2,-0.5 -1,-0.2 0.639 56.9 36.8-111.6 -67.9 41.4 -4.6 43.8 40 39 A S E + 0 0 18 -7,-0.4 -7,-1.3 21,-0.2 2,-0.3 -0.547 55.7 175.2 -89.8 147.0 37.6 -4.8 44.1 41 40 A F E +FI 32 57C 0 16,-1.3 16,-1.1 -2,-0.2 2,-0.3 -0.968 11.3 154.5-149.8 119.4 35.1 -3.6 41.4 42 41 A S E -FI 31 56C 9 -11,-0.8 -11,-2.4 -2,-0.3 2,-0.3 -0.996 21.1-155.3-146.7 148.7 31.3 -4.2 41.8 43 42 A V E -F 30 0C 0 12,-0.6 11,-2.5 -2,-0.3 2,-0.6 -0.877 16.9-146.0-134.1 152.8 28.4 -2.2 40.3 44 43 A I E -FI 29 53C 38 -15,-2.1 -15,-1.9 -2,-0.3 -16,-1.9 -0.920 33.0-164.5-114.7 99.7 24.7 -1.5 41.0 45 44 A Y E -FI 27 52C 0 7,-2.8 7,-2.8 -2,-0.6 2,-0.5 -0.175 21.0-116.3 -78.9 172.6 23.0 -1.2 37.6 46 45 A D E -FI 26 51C 3 -20,-2.4 -21,-1.5 5,-0.3 -20,-0.8 -0.947 26.3-169.9-107.5 126.0 19.6 0.3 36.6 47 46 A L E > - I 0 50C 12 3,-4.1 3,-1.4 -2,-0.5 -23,-0.0 -0.781 69.6 -42.9-118.1 92.0 17.3 -2.4 35.1 48 47 A N T 3 S- 0 0 56 -2,-0.6 -1,-0.0 1,-0.3 276,-0.0 0.839 125.2 -33.9 62.2 33.3 14.2 -0.7 33.6 49 48 A G T 3 S+ 0 0 46 1,-0.4 -1,-0.3 273,-0.0 273,-0.0 0.182 125.1 88.2 108.9 -20.7 13.6 1.7 36.4 50 49 A D E < S-I 47 0C 116 -3,-1.4 -3,-4.1 1,-0.0 -1,-0.4 -0.727 80.8-103.8-111.6 158.3 14.8 -0.5 39.3 51 50 A P E -I 46 0C 88 0, 0.0 2,-0.5 0, 0.0 -5,-0.3 -0.546 31.2-165.5 -79.0 141.1 18.3 -1.1 40.8 52 51 A F E -I 45 0C 64 -7,-2.8 -7,-2.8 -2,-0.3 2,-0.9 -0.963 16.1-136.8-127.9 126.7 20.1 -4.3 39.8 53 52 A S E -I 44 0C 74 -2,-0.5 -9,-0.3 -9,-0.3 3,-0.1 -0.633 22.0-144.1 -87.6 105.9 23.2 -5.5 41.8 54 53 A G E - 0 0 2 -11,-2.5 -33,-0.1 -2,-0.9 -11,-0.0 -0.349 36.5 -80.6 -60.9 160.3 25.9 -6.7 39.3 55 54 A P E - 0 0 70 0, 0.0 -12,-0.6 0, 0.0 2,-0.2 -0.151 52.2-118.1 -60.1 156.6 28.0 -9.6 40.3 56 55 A K E -I 42 0C 105 -14,-0.2 -14,-0.2 -3,-0.1 2,-0.2 -0.597 19.0-164.0 -96.9 150.3 30.9 -8.6 42.6 57 56 A H E -I 41 0C 25 -16,-1.1 -16,-1.3 -2,-0.2 2,-0.2 -0.591 30.6-178.3-129.8 64.7 34.7 -9.0 41.7 58 57 A T - 0 0 110 -18,-0.2 2,-0.2 -2,-0.2 -18,-0.1 -0.498 16.6-140.6 -73.9 138.8 35.9 -8.6 45.2 59 58 A S - 0 0 17 -2,-0.2 4,-0.1 1,-0.1 81,-0.1 -0.580 11.3-144.6 -95.9 155.6 39.7 -8.6 46.3 60 59 A K S S+ 0 0 192 79,-0.4 -1,-0.1 -2,-0.2 80,-0.1 0.874 72.0 105.8 -88.2 -31.0 41.3 -10.2 49.4 61 60 A L S S- 0 0 50 78,-0.4 2,-2.1 1,-0.2 -21,-0.2 -0.247 81.0-122.8 -52.4 126.5 43.9 -7.3 49.6 62 61 A P + 0 0 127 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.408 53.6 165.7 -68.4 74.4 42.9 -4.9 52.6 63 62 A Y - 0 0 34 -2,-2.1 -28,-0.2 -4,-0.1 2,-0.2 -0.498 46.1 -86.4 -98.8 167.8 42.7 -1.9 50.3 64 63 A K E -H 34 0C 46 -30,-3.3 -30,-3.3 -2,-0.2 2,-0.4 -0.441 53.0-132.8 -67.5 135.9 41.2 1.7 50.9 65 64 A N E +H 33 0C 121 -32,-0.3 2,-0.3 -2,-0.2 -32,-0.2 -0.673 25.8 178.4-105.1 146.9 37.4 1.6 50.0 66 65 A V - 0 0 29 -34,-2.5 -34,-0.4 -2,-0.4 2,-0.4 -0.877 17.8-158.3-138.9 158.3 35.1 3.9 47.8 67 66 A K - 0 0 140 -2,-0.3 2,-0.7 -36,-0.2 -36,-0.3 -0.959 10.1-161.5-136.1 115.4 31.5 4.2 46.7 68 67 A I E -G 30 0C 1 -38,-4.0 -38,-2.8 -2,-0.4 2,-0.7 -0.850 8.8-167.5 -97.9 122.4 30.8 6.4 43.5 69 68 A E E -G 29 0C 52 -2,-0.7 -40,-0.2 -40,-0.2 -1,-0.0 -0.551 3.7-159.8-114.3 83.0 27.0 7.3 43.5 70 69 A L - 0 0 11 -2,-0.7 2,-1.2 -42,-0.7 4,-0.1 -0.139 27.5-120.9 -57.6 145.1 25.9 8.7 40.0 71 70 A K > - 0 0 60 1,-0.1 4,-1.5 2,-0.1 -1,-0.1 -0.771 46.4-129.6 -87.0 97.3 22.6 10.7 40.3 72 71 A F T >4 S+ 0 0 27 -2,-1.2 3,-1.0 2,-0.2 2,-0.7 0.365 76.6 19.5 -44.9-162.2 20.8 8.4 37.7 73 72 A P T 34 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.255 133.0 41.8 29.3 -80.8 18.7 9.6 34.6 74 73 A D T 34 S+ 0 0 118 -2,-0.7 2,-0.5 -4,-0.1 -2,-0.2 0.756 114.0 54.9 -60.7 -25.6 20.5 13.0 34.6 75 74 A E << + 0 0 4 -4,-1.5 2,-0.3 -3,-1.0 -1,-0.0 -0.871 55.3 148.5-119.7 133.1 24.0 11.8 35.4 76 75 A F - 0 0 93 -2,-0.5 29,-1.9 -4,-0.1 30,-0.3 -0.992 52.2 -89.8-148.9 153.2 26.0 9.2 33.4 77 76 A L E -J 104 0D 11 -2,-0.3 27,-0.3 27,-0.2 53,-0.3 -0.394 29.1-173.2 -66.7 150.8 29.9 9.0 32.9 78 77 A E E S+ 0 0 78 25,-0.9 47,-2.4 1,-0.3 2,-0.3 0.343 71.7 23.5-123.1 9.1 31.3 10.9 29.8 79 78 A S E -JK 103 124D 15 24,-0.8 24,-1.1 45,-0.3 2,-0.4 -0.941 53.2-169.4-171.8 137.8 34.9 9.5 30.2 80 79 A V E +JK 102 123D 3 43,-1.4 43,-2.3 -2,-0.3 2,-0.3 -0.997 26.8 150.1-132.2 135.0 36.8 6.5 31.8 81 80 A S E +JK 101 122D 11 20,-1.8 20,-0.9 -2,-0.4 41,-0.3 -0.910 1.6 137.7-152.7 176.3 40.7 6.6 31.9 82 81 A G - 0 0 0 39,-1.6 17,-1.0 18,-0.3 35,-0.1 0.821 47.7 -95.5 146.5 88.2 43.5 5.3 34.2 83 82 A Y - 0 0 52 15,-0.2 15,-1.3 38,-0.2 16,-0.7 0.990 29.5-150.1 -61.2-155.3 47.0 3.6 33.7 84 83 A T B +MN 97 119E 13 35,-3.4 35,-2.9 13,-0.2 13,-0.2 -0.706 34.3 112.0-155.3 151.7 47.8 -0.1 33.5 85 84 A G - 0 0 9 11,-2.6 11,-0.1 33,-0.2 -72,-0.1 -0.794 58.0 -58.9 161.5 170.4 51.0 -2.1 34.4 86 85 A P - 0 0 65 0, 0.0 2,-0.2 0, 0.0 8,-0.1 0.304 29.2-146.0 -66.7-174.7 52.5 -4.6 36.9 87 86 A F B > > -O 92 0F 21 5,-0.9 2,-1.2 7,-0.2 5,-1.0 -0.634 4.9-163.5-150.6 81.0 52.9 -4.4 40.6 88 87 A S T 3 5S+ 0 0 110 1,-0.2 0, 0.0 3,-0.2 0, 0.0 -0.674 82.2 65.4 -71.2 100.8 56.0 -6.1 41.9 89 88 A A T 3 5S+ 0 0 77 -2,-1.2 -1,-0.2 3,-0.0 -2,-0.0 -0.468 99.4 49.0 179.3 -49.3 54.9 -6.3 45.5 90 89 A L T < 5S- 0 0 44 -3,-0.7 -2,-0.2 2,-0.1 -3,-0.0 0.548 112.2-129.3 -81.7 3.4 52.0 -8.7 44.9 91 90 A A T 5 + 0 0 89 -4,-0.4 -3,-0.2 1,-0.2 -1,-0.1 0.896 59.4 146.5 53.2 31.5 54.8 -10.6 43.0 92 91 A T B < -O 87 0F 27 -5,-1.0 -5,-0.9 1,-0.2 -1,-0.2 -0.889 36.3-165.9-102.4 117.6 52.5 -10.7 40.0 93 92 A P + 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 0.834 60.7 95.3 -70.7 -31.5 54.4 -10.5 36.7 94 93 A T S S- 0 0 30 1,-0.1 -7,-0.2 -8,-0.1 -81,-0.1 -0.138 87.9 -97.1 -62.6 148.8 51.2 -9.8 34.6 95 94 A P - 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