==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 16-JUN-10 3NIR . COMPND 2 MOLECULE: CRAMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CRAMBE HISPANICA; . AUTHOR A.SCHMIDT,M.TEETER,E.WECKERT,V.S.LAMZIN . 46 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 56.5 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 . 3 6.5 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 . 0 0.0 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-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 . 1 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.2 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 1 0 0 1 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 . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 74 0, 0.0 34,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.4 4.0 -12.8 16.9 2 2 A T E -A 34 0A 23 32,-0.2 2,-0.4 36,-0.1 32,-0.2 -0.807 360.0-172.1-106.4 150.2 5.8 -11.5 13.8 3 3 A a E -A 33 0A 0 30,-2.3 30,-2.8 -2,-0.4 42,-0.2 -0.996 8.3-153.9-138.2 137.6 9.5 -10.7 13.7 4 4 A b - 0 0 0 42,-2.6 42,-2.5 -2,-0.4 28,-0.2 -0.890 17.3-138.7-123.6 147.9 11.2 -8.9 10.8 5 5 A P S S- 0 0 54 0, 0.0 40,-0.3 0, 0.0 2,-0.3 0.691 84.2 -1.3 -76.7 -19.9 14.8 -9.1 9.6 6 6 A S S > S- 0 0 47 38,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.956 77.4 -96.1-155.7 172.6 15.1 -5.3 8.9 7 7 A I H > S+ 0 0 111 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.923 120.9 53.5 -58.8 -50.6 13.1 -2.0 8.9 8 8 A V H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.925 107.4 51.5 -57.0 -40.4 12.3 -2.3 5.2 9 9 A A H > S+ 0 0 4 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.834 110.9 46.6 -67.4 -42.5 10.9 -5.7 5.7 10 10 A R H X S+ 0 0 51 -4,-1.8 4,-2.6 2,-0.2 -1,-0.3 0.916 112.3 50.4 -62.4 -44.9 8.7 -4.6 8.6 11 11 A S H X S+ 0 0 63 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.927 112.7 46.0 -61.0 -38.2 7.4 -1.6 6.6 12 12 A N H X S+ 0 0 74 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.891 110.3 56.1 -74.3 -33.1 6.6 -3.8 3.6 13 13 A F H X S+ 0 0 4 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.910 105.9 49.9 -54.3 -49.5 4.9 -6.2 6.0 14 14 A N H X S+ 0 0 89 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.838 111.0 48.2 -65.4 -35.3 2.7 -3.6 7.3 15 15 A V H >< S+ 0 0 88 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.934 109.0 54.5 -66.8 -44.0 1.7 -2.5 3.8 16 16 A c H 3<>S+ 0 0 18 -4,-2.7 5,-0.8 1,-0.3 -2,-0.2 0.868 107.2 52.3 -55.1 -36.1 1.0 -6.2 2.8 17 17 A R H ><5S+ 0 0 93 -4,-1.9 3,-2.2 1,-0.2 -1,-0.3 0.726 85.3 86.7 -74.5 -20.5 -1.3 -6.5 5.8 18 18 A L T <<5S+ 0 0 145 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.868 91.6 44.3 -53.7 -43.5 -3.4 -3.4 4.9 19 19 A P T 3 5S- 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.550 126.6 -98.9 -77.0 -4.2 -5.8 -5.4 2.6 20 20 A G T < 5 + 0 0 52 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.465 60.3 171.4 102.0 8.0 -6.0 -8.2 5.2 21 21 A T < - 0 0 39 -5,-0.8 -1,-0.2 1,-0.1 5,-0.1 -0.194 44.8 -95.9 -51.8 134.6 -3.5 -10.6 3.6 22 22 A P >> - 0 0 75 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.170 28.0-122.3 -49.3 140.0 -2.7 -13.5 6.0 23 23 A E H 3> S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.854 111.8 59.8 -52.5 -38.1 0.4 -13.0 8.1 24 24 A A H 3> S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 107.3 44.9 -65.0 -33.8 1.9 -16.2 6.6 25 25 A L H <> S+ 0 0 103 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.947 112.8 50.1 -74.3 -39.5 1.7 -14.7 3.1 26 26 A c H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 6,-0.4 0.823 107.9 56.3 -67.8 -29.9 3.1 -11.5 4.1 27 27 A A H X S+ 0 0 9 -4,-2.4 4,-2.7 -5,-0.2 5,-0.4 0.964 110.5 40.9 -64.0 -54.5 6.0 -13.4 5.9 28 28 A T H < S+ 0 0 121 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.827 114.7 55.9 -65.8 -23.1 7.1 -15.2 2.8 29 29 A Y H < S+ 0 0 189 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.877 123.8 21.5 -68.5 -45.5 6.6 -11.9 0.7 30 30 A T H < S- 0 0 25 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.588 102.9-109.4-106.6 -20.0 8.9 -9.9 3.0 31 31 A G S < S+ 0 0 35 -4,-2.7 -3,-0.1 1,-0.4 -4,-0.1 0.281 75.0 131.5 92.6 -7.2 11.2 -12.2 4.8 32 32 A b - 0 0 5 -6,-0.4 -1,-0.4 -5,-0.4 2,-0.3 -0.298 44.4-143.6 -67.6 168.7 9.5 -11.6 8.1 33 33 A I E -A 3 0A 46 -30,-2.8 -30,-2.3 -3,-0.1 2,-0.4 -0.895 7.8-129.9-135.3 165.9 8.6 -14.6 10.2 34 34 A I E -A 2 0A 79 -2,-0.3 -32,-0.2 -32,-0.2 -30,-0.0 -0.972 25.2-179.7-119.0 132.0 5.9 -15.9 12.5 35 35 A I - 0 0 37 -34,-2.8 5,-0.0 -2,-0.4 -2,-0.0 -0.926 31.8-132.4-130.3 155.5 6.7 -17.4 15.9 36 36 A P S S+ 0 0 142 0, 0.0 -34,-0.1 0, 0.0 -1,-0.1 0.732 87.6 61.4 -79.7 -17.9 4.5 -18.8 18.6 37 37 A G S S- 0 0 42 2,-0.1 -2,-0.2 -36,-0.1 3,-0.0 -0.048 86.1-116.5 -92.2-158.2 6.1 -16.9 21.4 38 38 A A S S+ 0 0 83 1,-0.1 2,-0.6 2,-0.0 -36,-0.1 0.356 85.0 83.3-117.6 -2.6 6.4 -13.2 22.1 39 39 A T - 0 0 135 -38,-0.1 -2,-0.1 -36,-0.0 -1,-0.1 -0.893 62.9-152.2-121.3 116.6 10.2 -12.6 21.9 40 40 A a - 0 0 44 -2,-0.6 5,-0.1 -38,-0.1 -38,-0.0 -0.534 21.9-115.1 -87.7 143.4 11.9 -12.1 18.5 41 41 A P > - 0 0 56 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.272 29.3-101.7 -78.6 169.7 15.6 -13.1 18.1 42 42 A G T 3 S+ 0 0 77 1,-0.3 3,-0.5 2,-0.1 -2,-0.1 0.649 121.8 57.4 -65.9 -18.2 18.5 -10.8 17.4 43 43 A D T 3 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.394 112.4 39.1 -93.6 1.7 18.5 -11.7 13.8 44 44 A Y S < S+ 0 0 65 -3,-2.1 -40,-0.3 1,-0.0 -1,-0.2 -0.517 76.7 144.1-138.5 58.9 14.8 -10.7 13.4 45 45 A A 0 0 70 -3,-0.5 -3,-0.1 -40,-0.3 -5,-0.1 0.453 360.0 360.0 -88.1 -7.2 15.0 -7.7 15.5 46 46 A N 0 0 72 -42,-2.5 -42,-2.6 -3,-0.1 -39,-0.1 -0.295 360.0 360.0-112.0 360.0 12.6 -5.3 13.6