==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-SEP-03 1QWQ . COMPND 2 MOLECULE: RIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR F.AVITABILE,C.ALFANO,R.SPADACCINI,O.CRESCENZI,A.M.D'URSI, . 124 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 77.4 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 . 35 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 30 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 1 1 0 0 0 1 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 0 0 2 1 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 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 0 222 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.0 -16.9 -7.2 8.1 2 2 A E - 0 0 121 1,-0.1 2,-0.2 4,-0.0 0, 0.0 -0.210 360.0-170.3 -49.4 146.7 -13.6 -8.9 7.1 3 3 A S > + 0 0 78 3,-0.1 2,-2.2 4,-0.1 3,-1.0 -0.533 58.0 40.5-123.3-165.7 -10.4 -7.7 8.7 4 4 A A T 3> S+ 0 0 57 1,-0.3 4,-2.5 -2,-0.2 5,-0.1 -0.430 127.9 29.7 62.1 -74.9 -6.7 -8.4 8.1 5 5 A A H 3> S+ 0 0 7 -2,-2.2 4,-2.9 2,-0.2 -1,-0.3 0.912 127.0 42.0 -82.8 -45.5 -7.0 -8.3 4.3 6 6 A A H <> S+ 0 0 16 -3,-1.0 4,-3.0 2,-0.2 5,-0.2 0.906 116.2 52.5 -63.6 -39.0 -9.9 -5.9 4.0 7 7 A K H > S+ 0 0 104 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.957 111.0 45.9 -60.3 -50.5 -8.1 -3.9 6.8 8 8 A F H X>S+ 0 0 19 -4,-2.5 4,-2.5 2,-0.2 5,-1.0 0.932 111.1 53.7 -51.6 -51.6 -4.9 -4.0 4.6 9 9 A E H <5S+ 0 0 67 -4,-2.9 4,-0.3 108,-0.2 3,-0.2 0.946 112.5 43.3 -51.9 -54.8 -7.0 -3.0 1.6 10 10 A R H <5S+ 0 0 169 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 118.7 43.8 -55.1 -50.9 -8.4 0.1 3.4 11 11 A Q H <5S- 0 0 43 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.758 138.7 -1.0 -68.8 -30.5 -5.0 1.0 4.9 12 12 A H T <5S+ 0 0 11 -4,-2.5 2,-2.5 -3,-0.2 35,-0.3 0.661 110.8 74.5-131.5 -52.0 -2.9 0.5 1.8 13 13 A M < + 0 0 12 -5,-1.0 2,-2.1 -4,-0.3 35,-0.1 -0.354 56.9 172.4 -82.9 68.9 -4.7 -0.7 -1.4 14 14 A D + 0 0 28 -2,-2.5 2,-2.5 1,-0.1 -1,-0.1 -0.423 9.3 172.1 -83.7 69.5 -6.4 2.6 -2.1 15 15 A S + 0 0 59 -2,-2.1 33,-0.1 34,-0.2 -1,-0.1 -0.505 32.4 155.4 -71.6 71.8 -7.9 1.9 -5.6 16 16 A G - 0 0 40 -2,-2.5 2,-0.0 1,-0.2 -2,-0.0 0.092 43.4 -55.5 -87.8-160.1 -9.7 5.3 -5.3 17 17 A N S S- 0 0 132 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.245 80.7 -53.4 -77.9 168.9 -11.1 7.7 -7.8 18 18 A S S S- 0 0 88 1,-0.1 -1,-0.2 -2,-0.0 2,-0.1 -0.050 71.6 -95.7 -42.2 137.3 -9.2 9.4 -10.8 19 19 A P + 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.360 58.6 148.1 -66.8 136.3 -5.9 11.1 -9.6 20 20 A S + 0 0 92 -3,-0.1 5,-0.3 -2,-0.1 -3,-0.0 -0.889 67.5 6.0-164.8 138.6 -6.2 14.9 -8.9 21 21 A S S > S- 0 0 75 -2,-0.3 4,-3.0 3,-0.1 5,-0.2 0.938 74.6-170.6 48.1 56.7 -4.3 17.1 -6.4 22 22 A S H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.822 77.2 53.3 -52.3 -43.8 -2.2 14.0 -5.5 23 23 A S H > S+ 0 0 53 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.989 115.4 39.5 -48.3 -66.5 -0.5 15.7 -2.4 24 24 A N H > S+ 0 0 94 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.875 112.0 58.8 -55.2 -45.0 -3.9 16.6 -0.9 25 25 A Y H X S+ 0 0 37 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.919 114.1 36.1 -47.3 -52.1 -5.5 13.3 -2.0 26 26 A a H X S+ 0 0 4 -4,-2.3 4,-2.7 -3,-0.3 5,-0.4 0.929 114.8 53.7 -79.9 -42.0 -2.9 11.3 0.1 27 27 A N H X S+ 0 0 39 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.942 111.9 48.4 -47.8 -54.3 -2.7 13.8 2.9 28 28 A L H X S+ 0 0 100 -4,-3.2 4,-3.2 -5,-0.2 5,-0.3 0.939 110.6 50.7 -52.7 -57.1 -6.5 13.5 3.2 29 29 A M H X S+ 0 0 61 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.948 118.1 35.5 -49.4 -60.8 -6.4 9.7 3.1 30 30 A M H X>S+ 0 0 7 -4,-2.7 4,-2.3 2,-0.2 5,-0.7 0.857 116.4 54.1 -72.1 -31.6 -3.8 9.2 5.8 31 31 A C H <5S+ 0 0 77 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.2 0.952 112.4 45.0 -59.2 -49.0 -5.0 12.2 7.9 32 32 A C H <5S+ 0 0 72 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.897 113.1 50.6 -59.7 -42.4 -8.5 10.6 7.8 33 33 A R H <5S- 0 0 103 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.843 98.7-148.9 -63.2 -36.9 -7.0 7.2 8.7 34 34 A K T ><5 + 0 0 122 -4,-2.3 3,-2.3 -5,-0.1 -3,-0.2 0.524 55.0 134.2 74.2 17.2 -5.1 8.9 11.6 35 35 A M T 3 < + 0 0 79 -5,-0.7 4,-0.2 1,-0.3 6,-0.2 0.618 65.0 74.6 -66.3 -8.0 -2.0 6.7 11.4 36 36 A T T 3 + 0 0 27 -6,-0.6 -1,-0.3 4,-0.2 2,-0.2 0.463 68.0 130.6 -74.9 -7.8 -0.3 10.1 11.7 37 37 A Q S < S- 0 0 148 -3,-2.3 2,-2.1 1,-0.2 -6,-0.0 -0.328 88.0 -20.2 -55.2 120.0 -1.3 10.1 15.5 38 38 A G S S+ 0 0 55 -2,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.314 143.5 34.9 80.5 -56.0 1.8 10.9 17.6 39 39 A K S S- 0 0 128 -2,-2.1 2,-0.5 -4,-0.2 0, 0.0 -0.980 82.9-127.1-131.1 140.6 4.2 9.9 14.9 40 40 A b - 0 0 17 -2,-0.3 -4,-0.2 46,-0.0 46,-0.1 -0.801 29.1-115.6 -93.0 122.3 3.8 10.4 11.1 41 41 A K - 0 0 86 -2,-0.5 45,-0.2 -6,-0.2 3,-0.1 -0.356 23.7-140.0 -51.7 130.6 4.3 7.2 9.0 42 42 A P S S+ 0 0 80 0, 0.0 44,-2.5 0, 0.0 2,-0.3 0.929 76.3 0.8 -67.6 -46.4 7.4 8.0 6.9 43 43 A V E -A 85 0A 61 42,-0.2 2,-0.3 54,-0.1 42,-0.2 -0.978 54.7-172.6-138.6 145.9 6.2 6.4 3.7 44 44 A N E -A 84 0A 32 40,-2.1 40,-2.8 -2,-0.3 2,-1.0 -0.940 12.2-157.2-140.2 125.1 3.0 4.6 2.6 45 45 A T E -A 83 0A 13 -2,-0.3 38,-0.3 38,-0.2 2,-0.2 -0.532 17.4-162.7-102.4 62.3 3.0 3.0 -0.9 46 46 A F E -A 82 0A 6 36,-1.4 36,-2.4 -2,-1.0 2,-0.9 -0.279 15.6-134.1 -59.0 115.2 -0.7 2.9 -1.5 47 47 A V E -A 81 0A 2 -35,-0.3 2,-1.3 34,-0.2 34,-0.2 -0.571 17.7-165.8 -71.4 103.9 -1.5 0.4 -4.4 48 48 A H + 0 0 23 32,-2.1 2,-0.3 -2,-0.9 32,-0.2 -0.414 51.9 97.0 -90.4 59.4 -4.0 2.4 -6.5 49 49 A E S S- 0 0 43 -2,-1.3 -34,-0.2 30,-0.1 5,-0.1 -0.986 82.3 -65.4-151.6 157.2 -5.2 -0.6 -8.6 50 50 A S >> - 0 0 68 -2,-0.3 4,-1.8 1,-0.1 3,-0.9 -0.041 34.7-134.0 -48.4 129.6 -8.0 -3.1 -8.7 51 51 A L H 3> S+ 0 0 97 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.838 107.4 60.6 -53.3 -37.7 -8.3 -5.6 -5.8 52 52 A A H 3> S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.908 104.6 49.4 -56.1 -43.8 -8.8 -8.4 -8.4 53 53 A D H <> S+ 0 0 50 -3,-0.9 4,-3.0 2,-0.2 -2,-0.2 0.960 112.0 47.2 -58.1 -51.8 -5.3 -7.5 -9.8 54 54 A V H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.879 112.6 49.7 -62.0 -39.1 -3.8 -7.6 -6.3 55 55 A K H X S+ 0 0 80 -4,-2.9 4,-0.7 2,-0.2 -1,-0.2 0.941 110.7 49.0 -64.9 -47.1 -5.5 -10.9 -5.5 56 56 A A H >< S+ 0 0 51 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.972 111.9 50.1 -52.8 -54.9 -4.3 -12.5 -8.7 57 57 A V H >< S+ 0 0 0 -4,-3.0 3,-2.6 1,-0.3 -2,-0.2 0.872 99.9 64.4 -46.0 -47.3 -0.8 -11.2 -7.8 58 58 A c H 3< S+ 0 0 1 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.684 112.2 37.0 -56.3 -19.7 -1.2 -12.7 -4.3 59 59 A S T << S+ 0 0 86 -3,-2.3 -1,-0.3 -4,-0.7 -2,-0.2 -0.134 102.6 84.6-124.3 34.5 -1.3 -16.1 -6.2 60 60 A Q S < S- 0 0 70 -3,-2.6 2,-0.8 1,-0.1 15,-0.1 0.544 98.4 -8.5 -94.7-110.1 1.3 -15.3 -9.0 61 61 A K E -C 74 0B 147 13,-1.3 13,-2.7 -4,-0.1 -1,-0.1 -0.809 65.2-148.8-104.9 103.3 5.0 -15.8 -8.2 62 62 A K E -C 73 0B 107 -2,-0.8 2,-0.3 11,-0.3 11,-0.3 -0.373 17.2-170.2 -58.8 140.8 5.9 -16.6 -4.6 63 63 A V E -C 72 0B 50 9,-3.1 9,-1.0 -2,-0.1 2,-0.9 -0.958 33.8 -99.0-133.2 152.0 9.3 -15.2 -3.5 64 64 A T E -C 71 0B 135 -2,-0.3 7,-0.1 7,-0.1 9,-0.0 -0.626 45.8-143.6 -73.7 105.4 11.3 -15.9 -0.3 65 65 A d > - 0 0 9 -2,-0.9 2,-2.4 5,-0.6 3,-1.0 -0.197 30.1 -94.7 -62.3 164.0 10.6 -12.8 1.9 66 66 A K T 3 S+ 0 0 201 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.275 124.0 52.3 -74.7 51.8 13.2 -11.2 4.2 67 67 A D T 3 S- 0 0 101 -2,-2.4 -1,-0.2 3,-0.2 4,-0.1 0.331 90.7-137.9-150.9 -44.4 11.6 -13.4 7.0 68 68 A G S < S+ 0 0 61 -3,-1.0 3,-0.1 2,-0.3 -2,-0.1 0.878 96.3 61.6 64.8 40.0 11.6 -17.0 5.7 69 69 A Q S S+ 0 0 162 1,-0.6 -1,-0.1 -4,-0.0 -3,-0.0 0.235 80.6 76.8-154.4 -61.0 8.0 -17.3 7.2 70 70 A T S S- 0 0 58 1,-0.1 2,-0.6 41,-0.0 -5,-0.6 -0.361 74.7-139.1 -56.4 140.6 5.8 -14.7 5.5 71 71 A N E +CD 64 110B 70 39,-0.8 39,-2.2 -7,-0.1 2,-0.3 -0.948 30.2 177.7-110.6 102.2 4.8 -16.0 2.0 72 72 A d E -CD 63 109B 1 -9,-1.0 -9,-3.1 -2,-0.6 2,-0.4 -0.813 14.2-151.9-115.1 150.9 5.0 -13.0 -0.3 73 73 A Y E -CD 62 108B 31 35,-2.9 35,-2.6 -2,-0.3 -11,-0.3 -0.985 9.4-134.7-129.1 128.8 4.4 -12.9 -4.1 74 74 A Q E -CD 61 107B 52 -13,-2.7 -13,-1.3 -2,-0.4 2,-0.5 -0.610 25.2-118.9 -75.7 146.3 5.7 -10.6 -6.8 75 75 A S - 0 0 0 31,-2.6 4,-0.1 -2,-0.3 -21,-0.0 -0.755 12.0-156.5 -79.0 121.7 3.4 -9.1 -9.3 76 76 A K S S+ 0 0 161 -2,-0.5 -1,-0.2 29,-0.1 2,-0.1 0.894 85.6 60.8 -61.4 -40.8 4.4 -10.3 -12.8 77 77 A S S S- 0 0 44 -24,-0.1 29,-0.5 -3,-0.1 2,-0.3 -0.413 89.4-126.3 -76.2 160.0 2.6 -7.2 -13.9 78 78 A T - 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