==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/IMMUNE SYSTEM 21-FEB-11 3QSK . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.L.MURTAUGH,S.W.FANNING,T.M.SHARMA,A.M.TERRY,J.R.HORN . 242 3 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 20 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 1 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 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 PARALLEL BRIDGES PER LADDER . 2 2 3 0 2 5 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 0 3 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 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 0 152 0, 0.0 2,-0.6 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 19.3 3.3 -27.6 20.3 2 2 A E - 0 0 96 1,-0.1 5,-0.0 4,-0.1 0, 0.0 -0.642 360.0-127.0 -62.7 114.6 6.9 -26.4 21.1 3 3 A T > - 0 0 86 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.121 12.4-114.0 -61.5 161.3 6.7 -22.9 19.5 4 4 A A H > S+ 0 0 51 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.902 118.2 49.8 -62.1 -44.1 9.3 -21.8 16.9 5 5 A A H > S+ 0 0 30 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.920 110.3 49.2 -60.9 -48.1 10.5 -19.2 19.3 6 6 A A H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 106.8 56.3 -62.6 -37.0 10.8 -21.6 22.2 7 7 A K H X S+ 0 0 93 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.911 104.9 52.1 -61.0 -40.0 12.7 -24.1 20.0 8 8 A F H X S+ 0 0 3 -4,-1.6 4,-2.6 105,-0.2 5,-0.4 0.915 110.2 48.9 -62.0 -44.8 15.3 -21.4 19.3 9 9 A E H X S+ 0 0 80 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.929 114.3 46.1 -56.8 -48.0 15.8 -20.8 23.1 10 10 A R H < S+ 0 0 72 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.919 120.3 38.3 -62.6 -43.8 16.2 -24.5 23.7 11 11 A Q H < S+ 0 0 40 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.793 133.3 14.2 -79.5 -28.2 18.6 -25.0 20.8 12 12 A H H < S+ 0 0 11 -4,-2.6 31,-2.4 -5,-0.2 2,-0.5 0.574 95.0 93.0-130.7 -10.7 20.7 -21.9 21.0 13 13 A M B < +a 43 0A 13 -4,-1.9 31,-0.2 -5,-0.4 33,-0.1 -0.821 23.6 151.1-102.7 123.6 20.3 -19.9 24.2 14 14 A D + 0 0 27 29,-2.6 32,-0.1 -2,-0.5 28,-0.0 -0.566 7.6 167.3-139.3 77.1 22.6 -20.3 27.2 15 15 A S 0 0 58 29,-0.1 29,-0.1 -2,-0.0 31,-0.1 0.712 360.0 360.0 -66.2 -17.5 22.7 -16.9 28.9 16 16 A S 0 0 143 29,-0.1 -2,-0.1 -3,-0.1 30,-0.0 0.772 360.0 360.0 -97.3 360.0 24.4 -18.4 32.0 17 ! 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 18 22 A S > 0 0 105 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 142.7 35.3 -26.7 30.1 19 23 A S T 3 + 0 0 111 1,-0.3 76,-0.5 2,-0.1 4,-0.2 0.520 360.0 65.3 -65.5 -3.2 36.4 -28.2 26.9 20 24 A N T 3> + 0 0 86 1,-0.1 4,-2.2 2,-0.1 -1,-0.3 0.410 69.9 105.0 -93.9 -1.6 33.6 -30.6 27.9 21 25 A Y H <> S+ 0 0 27 -3,-2.0 4,-3.5 1,-0.2 5,-0.3 0.900 78.4 46.6 -47.7 -53.6 30.9 -28.0 27.6 22 26 A a H > S+ 0 0 0 -4,-0.2 4,-3.2 2,-0.2 5,-0.3 0.903 108.1 53.7 -66.7 -38.6 29.4 -29.2 24.3 23 27 A N H > S+ 0 0 46 70,-0.3 4,-1.1 -3,-0.2 5,-0.2 0.968 116.6 42.5 -54.0 -49.8 29.2 -32.9 25.3 24 28 A Q H X S+ 0 0 99 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.952 120.8 39.5 -55.0 -54.2 27.3 -31.7 28.4 25 29 A M H X S+ 0 0 19 -4,-3.5 4,-2.3 1,-0.2 6,-0.3 0.883 107.6 58.2 -78.0 -37.7 25.1 -29.2 26.6 26 30 A M H <>S+ 0 0 0 -4,-3.2 5,-2.9 -5,-0.3 6,-0.5 0.819 115.6 38.7 -60.9 -34.8 24.2 -31.0 23.4 27 31 A K H ><5S+ 0 0 127 -4,-1.1 3,-2.2 -5,-0.3 5,-0.3 0.890 112.1 57.2 -73.4 -48.5 22.7 -33.8 25.4 28 32 A S H 3<5S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.804 110.9 43.2 -53.6 -36.5 21.1 -31.5 28.0 29 33 A R T 3<5S- 0 0 55 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.1 0.172 118.8-109.4 -94.7 13.8 19.1 -29.6 25.3 30 34 A N T < 5S+ 0 0 78 -3,-2.2 -3,-0.2 -5,-0.1 3,-0.2 0.798 78.0 132.2 66.2 33.9 18.2 -32.8 23.6 31 35 A L S - 0 0 50 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.264 38.1-119.0 -61.0 150.3 20.9 -12.3 27.7 47 51 A L H > S+ 0 0 53 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.898 116.2 57.5 -57.1 -44.4 17.8 -13.3 25.8 48 52 A A H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 106.4 48.1 -54.6 -41.3 16.9 -9.6 25.5 49 53 A D H > S+ 0 0 83 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.917 114.5 46.1 -68.6 -38.8 20.3 -9.0 23.7 50 54 A V H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-0.4 0.944 112.5 48.9 -67.7 -44.2 19.7 -11.9 21.4 51 55 A Q H >< S+ 0 0 67 -4,-3.5 3,-1.3 1,-0.3 -1,-0.2 0.831 102.8 63.9 -64.2 -30.6 16.0 -10.9 20.6 52 56 A A H >< S+ 0 0 41 -4,-1.8 3,-2.2 -5,-0.3 -1,-0.3 0.694 83.6 76.6 -67.7 -16.9 17.1 -7.3 19.9 53 57 A V G X< S+ 0 0 0 -3,-1.4 3,-2.5 -4,-0.5 -1,-0.3 0.820 79.7 70.3 -63.7 -28.1 19.2 -8.6 16.9 54 58 A c G < S+ 0 0 5 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.593 100.0 49.0 -64.0 -7.3 15.9 -8.9 15.0 55 59 A S G < S+ 0 0 89 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.215 104.1 78.7-106.7 0.9 16.0 -5.0 15.1 56 60 A Q S < S- 0 0 34 -3,-2.5 2,-0.6 1,-0.2 15,-0.2 0.303 96.4 -19.5 -96.9-142.6 19.6 -4.8 13.9 57 61 A K E -D 70 0B 90 13,-1.8 13,-2.6 1,-0.1 2,-0.2 -0.541 60.5-138.5 -78.9 115.7 21.3 -5.1 10.4 58 62 A N E +D 69 0B 10 -2,-0.6 2,-0.3 11,-0.2 11,-0.3 -0.524 36.1 162.2 -68.5 130.2 19.1 -6.9 7.9 59 63 A V E -D 68 0B 26 9,-2.2 9,-1.1 -2,-0.2 2,-0.2 -0.946 43.7 -88.4-143.9 158.3 21.2 -9.4 5.8 60 64 A A - 0 0 60 -2,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.501 41.9-122.6 -67.3 139.9 20.5 -12.3 3.6 61 65 A d > - 0 0 5 4,-3.8 3,-2.6 -2,-0.2 -1,-0.1 -0.448 33.5-100.8 -75.3 157.3 20.4 -15.7 5.4 62 66 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.837 124.3 52.2 -52.0 -31.7 22.9 -18.3 4.1 63 67 A N T 3 S- 0 0 113 1,-0.1 -1,-0.3 2,-0.0 -3,-0.0 0.496 126.1 -98.5 -87.8 -0.5 20.1 -20.0 2.0 64 68 A G S < S+ 0 0 45 -3,-2.6 -2,-0.1 1,-0.4 -1,-0.1 0.274 76.2 142.1 104.8 -8.3 19.1 -16.7 0.4 65 69 A Q - 0 0 44 1,-0.1 -4,-3.8 -5,-0.1 -1,-0.4 -0.324 44.2-146.0 -57.4 146.6 16.1 -15.9 2.7 66 70 A T S S+ 0 0 13 -6,-0.2 90,-0.3 1,-0.2 89,-0.2 0.301 77.8 83.7-108.1 14.3 15.9 -12.1 3.4 67 71 A N + 0 0 0 -9,-0.1 39,-2.3 88,-0.1 2,-0.3 -0.137 63.3 118.1-104.8 37.9 14.6 -12.0 6.9 68 72 A d E -DE 59 105B 0 -9,-1.1 -9,-2.2 -3,-0.3 2,-0.4 -0.703 45.6-158.6-102.2 157.4 18.0 -12.5 8.7 69 73 A Y E -DE 58 104B 5 35,-2.4 35,-2.2 -11,-0.3 2,-0.4 -0.998 5.1-148.7-139.0 132.0 19.6 -10.0 11.0 70 74 A Q E -DE 57 103B 42 -13,-2.6 -13,-1.8 -2,-0.4 33,-0.2 -0.901 25.3-115.6-107.7 134.2 23.3 -9.6 12.0 71 75 A S - 0 0 3 31,-2.5 4,-0.1 -2,-0.4 -18,-0.1 -0.432 11.7-138.0 -65.9 140.2 24.2 -8.3 15.5 72 76 A Y S S+ 0 0 121 -2,-0.2 2,-0.3 29,-0.1 -1,-0.1 0.853 90.1 46.1 -64.2 -40.5 26.1 -5.0 15.6 73 77 A S S S- 0 0 81 27,-0.1 29,-0.5 29,-0.0 2,-0.1 -0.763 94.1-109.4 -96.7 153.3 28.5 -6.3 18.3 74 78 A T - 0 0 61 -2,-0.3 27,-0.3 27,-0.2 2,-0.3 -0.456 42.4-148.2 -65.0 152.4 30.3 -9.6 18.3 75 79 A M E - C 0 100A 15 25,-3.4 25,-1.6 -2,-0.1 2,-0.5 -0.922 20.4 -95.8-126.6 154.5 28.7 -11.9 21.0 76 80 A S E + C 0 99A 36 -2,-0.3 -32,-3.1 23,-0.2 2,-0.3 -0.594 58.3 162.7 -67.8 117.1 30.0 -14.6 23.4 77 81 A I E -BC 43 98A 1 21,-2.4 21,-1.9 -2,-0.5 2,-0.4 -0.888 34.0-142.5-130.5 165.0 29.3 -18.0 21.7 78 82 A T E -BC 42 97A 0 -36,-3.1 -36,-2.9 -2,-0.3 2,-0.4 -0.985 13.8-150.6-126.5 126.1 30.2 -21.6 21.8 79 83 A D E -BC 41 96A 29 17,-2.7 17,-1.8 -2,-0.4 2,-0.4 -0.724 9.3-163.4 -80.4 133.4 30.5 -23.8 18.7 80 84 A a E +BC 40 95A 0 -40,-3.0 -40,-2.5 -2,-0.4 2,-0.4 -0.997 11.9 174.2-120.9 136.8 29.8 -27.5 19.0 81 85 A R E -BC 39 94A 127 13,-1.4 13,-3.0 -2,-0.4 -42,-0.2 -1.000 35.1-107.3-146.6 123.4 30.9 -29.8 16.3 82 86 A E E - 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