==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JUL-11 2LFJ . COMPND 2 MOLECULE: SEMINAL RIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.SPADACCINI,D.PICONE . 123 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 70.7 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 . 31 25.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 1 0.8 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 . 21 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 2 0 1 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 2 0 0 2 0 0 1 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 . 0 1 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 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 K 0 0 246 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 56.6 -1.6 13.8 15.9 2 2 A E - 0 0 112 2,-0.1 2,-0.9 1,-0.1 3,-0.0 -0.525 360.0-112.7 -85.0 156.6 0.8 11.8 13.5 3 3 A S - 0 0 106 -2,-0.2 2,-2.8 1,-0.2 -1,-0.1 -0.086 54.1-111.1 -80.3 36.8 3.0 13.4 10.9 4 4 A A S >> S+ 0 0 51 -2,-0.9 4,-2.9 1,-0.2 3,-0.5 -0.361 110.5 76.0 62.2 -60.8 0.7 11.7 8.3 5 5 A A H 3> S+ 0 0 5 -2,-2.8 4,-3.3 1,-0.2 5,-0.2 0.847 89.8 51.9 -42.0 -57.1 3.6 9.3 7.3 6 6 A A H 3> S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.901 115.3 41.9 -52.4 -47.5 3.3 7.1 10.4 7 7 A K H <> S+ 0 0 90 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.943 112.9 52.8 -67.9 -48.6 -0.4 6.5 9.9 8 8 A F H X S+ 0 0 13 -4,-2.9 4,-0.6 2,-0.2 3,-0.4 0.943 112.0 48.0 -47.6 -51.9 -0.0 6.1 6.1 9 9 A E H >X S+ 0 0 11 -4,-3.3 3,-2.0 108,-0.3 4,-1.2 0.947 109.5 50.3 -54.7 -54.0 2.6 3.5 6.9 10 10 A R H 3< S+ 0 0 149 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 113.9 46.8 -62.8 -23.8 0.4 1.7 9.4 11 11 A Q H 3< S+ 0 0 54 -4,-2.1 -1,-0.3 -3,-0.4 -2,-0.2 0.534 135.0 11.7 -81.7 -12.7 -2.4 1.7 6.8 12 12 A H H << S+ 0 0 6 -3,-2.0 35,-2.6 -4,-0.6 2,-2.2 0.624 114.1 64.0-137.1 -58.6 0.1 0.5 4.0 13 13 A M < + 0 0 2 -4,-1.2 35,-0.1 -5,-0.2 -1,-0.1 -0.502 56.2 166.4 -75.9 73.6 3.5 -0.8 5.3 14 14 A D - 0 0 41 -2,-2.2 -1,-0.2 33,-0.3 34,-0.2 0.936 37.9-155.7 -52.1 -47.7 1.8 -3.7 7.2 15 15 A S + 0 0 35 32,-3.0 35,-0.1 -3,-0.3 33,-0.1 0.072 47.6 85.9 94.3 162.7 5.3 -5.1 7.4 16 16 A G S S- 0 0 44 33,-0.6 33,-0.1 -3,-0.0 -1,-0.1 0.888 71.8-104.5 80.9 103.3 7.2 -8.5 7.9 17 17 A N + 0 0 98 2,-0.1 32,-0.1 1,-0.0 30,-0.0 -0.260 49.6 157.7 -54.3 138.4 7.9 -10.7 4.9 18 18 A S - 0 0 34 30,-0.2 2,-1.8 2,-0.1 -1,-0.0 -0.600 25.3-164.0-166.9 92.4 5.6 -13.7 4.7 19 19 A P + 0 0 98 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.493 66.8 64.3 -84.3 67.9 5.1 -15.4 1.2 20 20 A S S S+ 0 0 64 -2,-1.8 -2,-0.1 2,-0.0 81,-0.0 -0.827 77.4 30.9-157.7-166.0 2.0 -17.3 2.3 21 21 A S - 0 0 57 -2,-0.2 80,-0.2 1,-0.1 2,-0.2 -0.029 50.8-169.6 49.0-133.8 -1.7 -17.0 3.4 22 22 A S S > S+ 0 0 25 78,-0.1 4,-1.8 60,-0.0 78,-0.1 -0.697 73.0 51.7 153.5 -78.7 -3.5 -13.9 1.9 23 23 A S H > S+ 0 0 48 1,-0.2 4,-2.7 76,-0.2 5,-0.4 0.836 102.6 64.1 -48.8 -43.7 -6.9 -13.3 3.5 24 24 A N H > S+ 0 0 111 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.955 107.3 37.7 -53.7 -62.4 -5.4 -13.4 7.1 25 25 A Y H > S+ 0 0 34 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.913 115.3 58.5 -52.4 -46.6 -3.1 -10.4 6.8 26 26 A a H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.918 117.5 28.0 -49.4 -60.0 -5.8 -8.6 4.8 27 27 A N H X S+ 0 0 54 -4,-2.7 4,-2.9 70,-0.3 5,-0.2 0.889 118.5 59.3 -74.4 -40.7 -8.5 -8.8 7.4 28 28 A L H X S+ 0 0 115 -4,-3.1 4,-3.3 -5,-0.4 5,-0.2 0.944 109.0 41.9 -55.1 -56.6 -6.2 -8.8 10.4 29 29 A M H X S+ 0 0 6 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.934 114.5 51.6 -58.5 -48.4 -4.5 -5.5 9.6 30 30 A M H <>S+ 0 0 2 -4,-1.5 5,-2.7 -5,-0.4 6,-0.7 0.906 115.9 41.7 -57.0 -43.1 -7.9 -3.9 8.7 31 31 A C H ><5S+ 0 0 81 -4,-2.9 3,-1.7 3,-0.2 -2,-0.2 0.950 113.4 52.5 -64.9 -51.5 -9.3 -5.1 12.0 32 32 A C H 3<5S+ 0 0 69 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.841 118.2 36.7 -54.0 -43.7 -6.2 -4.2 14.0 33 33 A R T 3<5S- 0 0 114 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.351 108.7-132.1 -88.4 2.8 -6.2 -0.6 12.6 34 34 A K T < 5 + 0 0 115 -3,-1.7 -3,-0.2 -5,-0.2 -4,-0.1 0.843 56.2 147.8 39.0 52.4 -10.1 -0.8 12.8 35 35 A M < + 0 0 53 -5,-2.7 2,-1.7 -6,-0.2 4,-0.2 0.566 46.0 95.4 -85.3 -7.6 -10.4 0.6 9.3 36 36 A T + 0 0 34 -6,-0.7 -1,-0.2 4,-0.1 4,-0.2 -0.296 59.3 131.6 -75.2 49.5 -13.6 -1.6 9.1 37 37 A Q S S- 0 0 111 -2,-1.7 -2,-0.1 2,-0.4 55,-0.0 -0.287 78.6 -32.3 -84.1-175.6 -15.7 1.5 10.1 38 38 A G S S+ 0 0 49 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.463 139.3 9.6 -4.3 -58.8 -18.9 2.7 8.2 39 39 A K S S- 0 0 166 -4,-0.2 -2,-0.4 54,-0.0 -1,-0.1 -0.989 84.1-133.1-133.4 139.9 -17.6 1.4 4.9 40 40 A b - 0 0 11 -2,-0.3 -4,-0.1 -4,-0.2 46,-0.0 -0.132 35.5 -85.5 -86.7 172.1 -14.4 -0.8 4.5 41 41 A K - 0 0 69 1,-0.2 -1,-0.1 44,-0.0 -11,-0.0 -0.794 29.2-159.2 -91.2 107.9 -11.6 -0.3 2.0 42 42 A P S S+ 0 0 86 0, 0.0 44,-2.4 0, 0.0 2,-0.3 0.787 79.6 9.7 -58.3 -32.3 -12.4 -1.9 -1.4 43 43 A V E +A 85 0A 88 42,-0.2 42,-0.2 54,-0.0 2,-0.2 -0.983 65.7 155.7-142.5 148.6 -8.7 -2.0 -2.3 44 44 A N E -A 84 0A 33 40,-2.5 40,-2.8 -2,-0.3 2,-0.7 -0.801 33.7-131.1-169.9 138.9 -5.4 -1.4 -0.5 45 45 A T E -A 83 0A 17 38,-0.3 2,-0.6 -2,-0.2 38,-0.3 -0.812 20.8-156.2-103.1 109.6 -1.8 -2.6 -1.2 46 46 A F E -A 82 0A 0 36,-2.7 36,-3.1 -2,-0.7 2,-0.3 -0.727 6.2-147.3 -89.9 118.7 -0.1 -4.0 2.0 47 47 A V E -A 81 0A 1 -35,-2.6 -32,-3.0 -2,-0.6 -33,-0.3 -0.635 10.5-169.9 -81.9 142.1 3.8 -3.9 2.0 48 48 A H + 0 0 8 32,-2.9 2,-0.2 -2,-0.3 32,-0.2 -0.659 51.8 77.9-131.2 72.5 5.5 -6.8 3.9 49 49 A E S S- 0 0 61 -2,-0.2 2,-0.6 -33,-0.1 -33,-0.6 -0.867 90.6 -33.1-158.3-174.6 9.2 -5.8 4.0 50 50 A S >> - 0 0 63 -2,-0.2 4,-1.3 1,-0.2 3,-1.2 -0.430 41.9-157.4 -57.1 102.5 11.7 -3.5 5.8 51 51 A L H 3> S+ 0 0 55 -2,-0.6 4,-1.6 1,-0.3 5,-0.2 0.831 94.1 65.0 -50.6 -35.9 10.0 -0.3 6.8 52 52 A A H 3> S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.923 99.1 51.4 -53.4 -44.4 13.5 1.3 6.8 53 53 A D H X> S+ 0 0 39 -3,-1.2 4,-3.2 1,-0.2 3,-0.7 0.920 100.9 61.9 -64.8 -40.2 13.7 0.6 3.0 54 54 A V H 3X S+ 0 0 5 -4,-1.3 4,-2.5 1,-0.3 -1,-0.2 0.912 103.9 48.5 -47.6 -50.0 10.3 2.4 2.5 55 55 A K H 3X S+ 0 0 69 -4,-1.6 4,-0.7 2,-0.2 -1,-0.3 0.812 113.6 48.6 -62.6 -28.0 11.8 5.6 3.8 56 56 A A H X< S+ 0 0 27 -4,-1.2 3,-1.2 -3,-0.7 -2,-0.2 0.946 106.7 54.3 -73.5 -50.1 14.8 5.0 1.5 57 57 A V H >X S+ 0 0 0 -4,-3.2 3,-2.2 1,-0.3 4,-0.6 0.920 103.5 58.1 -44.9 -53.1 12.5 4.3 -1.6 58 58 A c H 3< S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.3 52,-0.2 0.843 113.7 38.2 -38.9 -46.3 11.0 7.7 -0.8 59 59 A S T << S+ 0 0 78 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 -0.202 110.1 69.2-107.4 35.9 14.5 9.2 -1.2 60 60 A Q T <4 S- 0 0 90 -3,-2.2 2,-0.5 1,-0.1 -2,-0.1 0.633 99.2 -0.3-114.8 -87.0 15.6 6.9 -4.2 61 61 A K E < -C 74 0B 106 13,-0.8 13,-2.5 -4,-0.6 2,-0.2 -0.894 52.9-150.8-127.7 105.3 14.0 7.3 -7.7 62 62 A K E -C 73 0B 109 -2,-0.5 2,-0.4 11,-0.3 11,-0.3 -0.476 19.6-169.5 -60.5 133.3 11.3 9.7 -8.8 63 63 A V - 0 0 33 9,-2.9 2,-1.1 -2,-0.2 9,-0.1 -0.976 30.2-115.7-123.9 139.9 9.2 8.2 -11.6 64 64 A T - 0 0 103 -2,-0.4 9,-0.1 7,-0.1 -2,-0.0 -0.710 41.5-145.5 -72.0 102.5 6.7 10.2 -13.6 65 65 A d - 0 0 17 -2,-1.1 2,-1.8 4,-0.3 3,-0.0 -0.012 38.2 -74.6 -58.5 175.7 3.5 8.3 -12.6 66 66 A K S S+ 0 0 150 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.020 134.7 23.7 -68.7 33.8 0.6 7.8 -15.0 67 67 A D S S- 0 0 82 -2,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.225 102.8-115.8-163.4 -41.9 -0.4 11.5 -14.6 68 68 A G + 0 0 48 1,-0.3 2,-0.2 -5,-0.1 -2,-0.1 0.662 66.3 150.4 86.7 26.4 2.8 13.3 -13.5 69 69 A Q > - 0 0 128 2,-0.0 3,-0.9 0, 0.0 2,-0.4 -0.490 53.7 -9.8 -91.9 159.6 1.0 14.1 -10.2 70 70 A T T 3 S- 0 0 94 1,-0.2 39,-0.1 -2,-0.2 0, 0.0 -0.434 100.9 -80.9 57.8-113.0 2.7 14.5 -6.7 71 71 A N T 3 - 0 0 68 -2,-0.4 39,-0.5 37,-0.1 -1,-0.2 -0.165 58.7-161.5-179.0 51.4 6.3 13.4 -7.2 72 72 A d < - 0 0 1 -3,-0.9 -9,-2.9 -9,-0.1 2,-0.4 -0.179 3.1-147.8 -64.3 143.8 6.0 9.6 -6.9 73 73 A Y E -CD 62 108B 43 35,-3.2 35,-2.5 -11,-0.3 2,-0.4 -0.952 3.3-144.2-116.2 124.4 9.0 7.4 -6.2 74 74 A Q E -CD 61 107B 43 -13,-2.5 -13,-0.8 -2,-0.4 33,-0.2 -0.717 31.2-105.6 -86.3 136.9 9.6 3.8 -7.4 75 75 A S - 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