==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 10-JAN-11 3QAC . COMPND 2 MOLECULE: 11S GLOBULIN SEED STORAGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AMARANTHUS HYPOCHONDRIACUS; . AUTHOR M.R.TANDANG-SILVAS,L.CARRAZCO-PENA,A.P.BARBA DE LA ROSA,J.A. . 372 5 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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-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 . 45 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 2 0 1 0 3 1 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 6 3 4 2 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 1 0 0 0 0 1 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 10 A Q 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -73.2 -50.5 22.8 -19.2 2 11 A G + 0 0 57 1,-0.1 3,-0.1 2,-0.0 36,-0.0 0.871 360.0 114.6 59.8 42.6 -50.8 21.6 -15.6 3 12 A N > + 0 0 95 1,-0.1 3,-1.8 2,-0.1 -1,-0.1 0.129 27.9 116.4-124.1 19.7 -52.2 18.2 -16.5 4 13 A E T 3 S+ 0 0 53 1,-0.3 34,-0.4 33,-0.1 35,-0.1 0.701 75.1 56.3 -66.4 -17.2 -49.5 16.0 -15.3 5 14 A a T 3 S+ 0 0 51 33,-0.1 2,-2.0 32,-0.1 -1,-0.3 0.454 74.2 100.9 -95.2 0.0 -51.7 14.4 -12.7 6 15 A Q < + 0 0 109 -3,-1.8 2,-0.5 277,-0.1 -1,-0.1 -0.614 63.1 172.7 -73.3 80.5 -54.3 13.3 -15.2 7 16 A I + 0 0 2 -2,-2.0 3,-0.1 1,-0.1 -2,-0.1 -0.834 32.7 155.4-107.4 125.5 -52.9 9.8 -15.0 8 17 A D S S+ 0 0 111 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.366 73.7 46.5-118.9 -1.2 -54.2 6.7 -16.6 9 18 A R + 0 0 176 281,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.940 58.3 178.4-144.1 120.9 -51.0 4.8 -16.7 10 19 A L - 0 0 7 279,-3.3 2,-0.3 -2,-0.4 281,-0.2 -0.809 15.8-152.9-111.8 162.0 -48.3 4.3 -14.1 11 20 A T - 0 0 25 -2,-0.3 2,-0.8 279,-0.1 290,-0.4 -0.949 27.4-107.8-135.1 147.1 -45.2 2.3 -14.5 12 21 A A - 0 0 13 -2,-0.3 2,-0.4 288,-0.1 288,-0.2 -0.735 53.0-148.8 -68.9 113.6 -42.8 0.3 -12.4 13 22 A L B +A 299 0A 7 286,-3.1 286,-1.8 -2,-0.8 16,-0.1 -0.744 23.0 178.5-100.4 138.1 -40.0 2.7 -12.7 14 23 A E - 0 0 104 -2,-0.4 16,-0.5 284,-0.2 284,-0.1 -0.844 45.6 -73.8-127.5 162.7 -36.3 2.0 -12.6 15 24 A P - 0 0 29 0, 0.0 14,-0.3 0, 0.0 3,-0.1 -0.299 36.4-170.1 -54.4 140.9 -33.3 4.3 -13.0 16 25 A T + 0 0 94 12,-2.4 2,-0.4 1,-0.2 13,-0.2 0.485 70.0 45.9-110.0 -9.8 -32.8 5.5 -16.5 17 26 A N E -L 28 0B 65 11,-1.8 11,-3.1 135,-0.1 2,-0.3 -0.997 65.0-159.8-134.7 140.8 -29.3 7.1 -16.0 18 27 A R E -L 27 0B 144 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.861 3.2-163.5-112.7 148.6 -26.2 5.8 -14.2 19 28 A I E -L 26 0B 3 7,-1.7 7,-2.4 -2,-0.3 2,-0.5 -0.921 11.1-161.3-133.4 108.0 -23.4 7.8 -12.9 20 29 A Q E +L 25 0B 107 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.761 12.8 178.4 -88.6 126.5 -20.3 5.8 -12.2 21 30 A A E > -L 24 0B 8 3,-3.1 3,-0.6 -2,-0.5 170,-0.2 -0.790 45.3 -93.2-119.2 172.5 -17.8 7.3 -9.9 22 31 A E T 3 S+ 0 0 72 168,-3.1 172,-0.2 -2,-0.3 169,-0.1 0.860 121.1 15.0 -54.2 -42.5 -14.5 5.9 -8.7 23 32 A R T 3 S+ 0 0 0 170,-3.2 26,-2.8 167,-0.4 2,-0.3 0.235 128.0 25.3-119.9 15.0 -16.0 4.5 -5.4 24 33 A G E < -LM 21 48B 0 -3,-0.6 -3,-3.1 169,-0.5 2,-0.4 -0.998 60.6-122.4-168.6 170.7 -19.7 4.5 -6.0 25 34 A L E -LM 20 47B 21 22,-3.2 22,-3.3 -2,-0.3 2,-0.5 -0.937 12.2-161.9-124.3 141.3 -22.7 4.5 -8.3 26 35 A T E -LM 19 46B 0 -7,-2.4 -7,-1.7 -2,-0.4 2,-0.5 -0.968 7.8-166.5-124.9 115.1 -25.5 7.0 -8.7 27 36 A E E -LM 18 45B 23 18,-3.2 18,-2.2 -2,-0.5 2,-0.5 -0.888 6.4-160.9-104.7 126.1 -28.7 5.8 -10.3 28 37 A V E -LM 17 44B 7 -11,-3.1 -12,-2.4 -2,-0.5 -11,-1.8 -0.909 9.1-141.6-114.6 122.9 -31.2 8.5 -11.4 29 38 A W - 0 0 2 14,-2.4 2,-0.9 -2,-0.5 14,-0.1 -0.336 39.7 -91.8 -71.6 164.1 -34.8 7.8 -12.1 30 39 A D > - 0 0 49 -16,-0.5 3,-1.4 1,-0.2 6,-0.2 -0.694 34.5-168.1 -83.8 104.9 -36.4 9.7 -15.0 31 40 A S T 3 S+ 0 0 7 -2,-0.9 -1,-0.2 1,-0.3 9,-0.1 0.584 82.7 68.3 -69.8 -9.2 -37.8 12.9 -13.5 32 41 A N T 3 + 0 0 88 4,-0.1 -1,-0.3 5,-0.1 5,-0.2 0.713 69.2 117.0 -82.3 -22.7 -39.7 13.6 -16.8 33 42 A E S X> S- 0 0 57 -3,-1.4 4,-2.0 1,-0.1 3,-1.3 -0.209 78.0-120.8 -43.4 131.9 -41.9 10.6 -16.2 34 43 A Q H 3> S+ 0 0 63 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.847 110.6 52.7 -50.0 -44.6 -45.4 12.0 -16.0 35 44 A E H 3> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.795 108.4 51.3 -70.8 -24.5 -46.0 10.6 -12.5 36 45 A F H <>>S+ 0 0 1 -3,-1.3 4,-2.5 -6,-0.2 5,-1.4 0.861 110.2 49.4 -71.7 -37.2 -42.8 12.2 -11.2 37 46 A R H <5S+ 0 0 108 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.927 112.0 48.8 -65.9 -43.4 -43.9 15.5 -12.7 38 47 A a H <5S+ 0 0 13 -4,-2.8 -2,-0.2 -34,-0.4 -1,-0.2 0.907 117.0 41.1 -58.4 -44.7 -47.2 15.0 -11.0 39 48 A A H <5S- 0 0 6 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.766 101.6-136.7 -78.8 -26.4 -45.5 14.2 -7.7 40 49 A G T <5 + 0 0 11 -4,-2.5 89,-2.4 1,-0.3 2,-0.3 0.914 62.3 110.9 71.0 43.0 -42.9 16.9 -8.1 41 50 A V < - 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