==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/IMMUNE SYSTEM 11-MAR-07 2P49 . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.TERESHKO,S.UYSAL,K.MARGALEF,A.KOIDE,A.A.KOSSIAKOFF,S.KOIDE . 242 3 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 62.0 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 . 78 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.4 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 1 0 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 . 1 2 3 1 1 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 2 A E 0 0 156 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.2 6.9 29.5 21.9 2 3 A T > - 0 0 93 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.394 360.0-113.8 -73.7 160.8 6.8 32.9 20.1 3 4 A A H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.890 118.5 51.4 -59.7 -41.9 9.4 33.8 17.5 4 5 A A H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.898 109.7 48.8 -64.9 -42.2 10.7 36.6 19.8 5 6 A A H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.883 107.5 55.6 -67.3 -36.5 11.0 34.1 22.7 6 7 A K H X S+ 0 0 76 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.924 106.3 51.5 -61.6 -40.2 12.9 31.6 20.5 7 8 A F H X S+ 0 0 3 -4,-2.0 4,-2.3 106,-0.2 5,-0.4 0.914 110.3 48.6 -61.9 -43.6 15.4 34.3 19.6 8 9 A E H X S+ 0 0 78 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.943 113.2 46.7 -64.2 -43.0 16.0 35.0 23.3 9 10 A R H < S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 120.1 39.3 -62.7 -42.1 16.4 31.2 24.1 10 11 A Q H < S+ 0 0 29 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.810 133.3 13.9 -81.7 -26.9 18.8 30.7 21.2 11 12 A H H < S+ 0 0 7 -4,-2.3 32,-2.9 -5,-0.2 2,-0.5 0.550 95.0 92.1-132.9 -11.4 20.8 33.9 21.4 12 13 A M B < +a 43 0A 12 -4,-2.1 32,-0.2 -5,-0.4 34,-0.1 -0.797 24.4 152.0-101.2 130.5 20.5 36.0 24.5 13 14 A D + 0 0 12 30,-2.3 3,-0.4 -2,-0.5 -1,-0.1 -0.478 11.4 157.8-144.4 72.1 22.9 35.5 27.5 14 15 A S + 0 0 55 1,-0.2 30,-0.1 30,-0.2 32,-0.1 0.689 66.1 60.4 -73.9 -23.1 22.9 39.0 29.1 15 16 A S 0 0 115 30,-0.1 -1,-0.2 31,-0.0 29,-0.1 0.821 360.0 360.0 -79.1 -27.7 24.1 37.9 32.6 16 17 A T 0 0 100 -3,-0.4 -3,-0.1 29,-0.1 0, 0.0 -0.503 360.0 360.0 -82.7 360.0 27.4 36.4 31.5 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 0 109 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 86.8 35.4 30.2 29.3 19 23 A S T 3 + 0 0 109 1,-0.3 76,-0.4 2,-0.1 4,-0.2 0.655 360.0 51.0 -79.4 -10.5 36.3 27.4 26.7 20 24 A N T 3> S+ 0 0 92 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.432 79.6 104.6 -92.0 -0.2 33.5 25.0 27.7 21 25 A Y H <> S+ 0 0 9 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.891 79.6 46.6 -50.2 -50.1 30.8 27.7 27.4 22 26 A a H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 5,-0.4 0.904 109.8 52.9 -66.7 -38.9 29.3 26.5 24.1 23 27 A N H > S+ 0 0 46 70,-0.3 4,-1.0 -3,-0.2 -1,-0.2 0.945 115.8 41.3 -60.1 -43.7 29.2 22.9 25.1 24 28 A Q H X S+ 0 0 111 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.928 120.7 41.6 -65.2 -49.1 27.2 23.9 28.3 25 29 A M H X S+ 0 0 17 -4,-2.9 4,-2.2 -5,-0.2 6,-0.3 0.849 106.8 57.9 -76.5 -37.7 25.0 26.4 26.6 26 30 A M H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.3 6,-0.5 0.928 114.5 41.6 -60.5 -37.9 24.1 24.6 23.4 27 31 A K H ><5S+ 0 0 141 -4,-1.0 3,-1.7 -5,-0.4 5,-0.3 0.957 113.9 50.4 -70.5 -49.9 22.7 21.8 25.5 28 32 A S H 3<5S+ 0 0 83 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.824 109.9 49.8 -64.4 -30.8 21.0 24.0 28.1 29 33 A R T 3<5S- 0 0 54 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.293 117.6-111.4 -92.6 10.1 19.1 26.1 25.4 30 34 A N T X 5S+ 0 0 87 -3,-1.7 3,-0.7 -5,-0.1 4,-0.4 0.726 78.3 131.0 73.4 26.3 17.9 22.9 23.7 31 35 A L T 3 - 0 0 49 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.305 36.0-119.3 -65.2 153.4 21.2 43.6 27.6 47 51 A L H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.916 116.1 55.7 -59.6 -40.3 17.9 42.5 26.0 48 52 A A H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 107.0 48.7 -58.7 -44.9 17.1 46.2 25.6 49 53 A D H 4 S+ 0 0 87 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.872 114.4 45.5 -65.4 -36.7 20.3 46.9 23.7 50 54 A V H >< S+ 0 0 0 -4,-2.1 3,-1.4 2,-0.2 4,-0.4 0.922 111.7 50.7 -73.7 -43.2 19.8 43.9 21.4 51 55 A Q H >< S+ 0 0 70 -4,-3.0 3,-1.6 1,-0.3 -2,-0.2 0.884 102.1 63.6 -60.5 -34.1 16.1 44.7 20.7 52 56 A A G >< S+ 0 0 37 -4,-2.0 3,-2.1 -5,-0.3 -1,-0.3 0.729 82.8 78.0 -62.2 -19.5 17.2 48.3 19.9 53 57 A V G X S+ 0 0 0 -3,-1.4 3,-2.3 -4,-0.4 -1,-0.3 0.832 79.3 70.6 -63.5 -26.1 19.2 46.9 16.9 54 58 A c G < S+ 0 0 3 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.616 100.1 47.2 -66.7 -10.3 15.9 46.7 15.1 55 59 A S G < S+ 0 0 81 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.211 104.7 78.3-104.8 5.4 15.9 50.5 15.0 56 60 A Q S < S- 0 0 37 -3,-2.3 2,-0.6 1,-0.2 15,-0.2 0.298 97.1 -17.3 -98.2-138.4 19.6 50.7 13.8 57 61 A K E -D 70 0B 71 13,-1.7 13,-2.5 1,-0.1 2,-0.4 -0.559 59.4-138.7 -84.3 116.3 21.1 50.1 10.3 58 62 A N E +D 69 0B 9 -2,-0.6 2,-0.3 11,-0.2 11,-0.3 -0.527 37.5 161.4 -67.2 122.9 18.8 48.3 7.8 59 63 A V E -D 68 0B 25 9,-2.5 9,-1.2 -2,-0.4 2,-0.2 -0.935 42.9 -86.3-137.7 164.1 21.0 45.8 5.8 60 64 A A - 0 0 59 -2,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.462 40.0-124.3 -71.0 141.0 20.5 42.7 3.7 61 65 A d > - 0 0 6 4,-3.3 3,-1.8 -2,-0.2 -1,-0.1 -0.457 31.3-105.5 -72.4 158.7 20.3 39.4 5.4 62 66 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.794 121.0 54.7 -63.8 -23.0 22.8 36.8 4.2 63 67 A N T 3 S- 0 0 109 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.572 125.5 -98.4 -85.6 -7.9 20.0 34.9 2.3 64 68 A G S < S+ 0 0 42 -3,-1.8 -2,-0.1 1,-0.4 -1,-0.0 0.209 81.3 132.8 106.1 -13.6 18.9 38.1 0.4 65 69 A Q - 0 0 40 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.4 -0.350 48.7-146.9 -60.6 159.0 15.9 39.1 2.6 66 70 A T S S+ 0 0 14 -6,-0.2 90,-0.3 1,-0.2 89,-0.3 0.219 73.1 91.3-121.8 14.1 16.1 42.8 3.5 67 71 A N + 0 0 0 -9,-0.1 39,-2.2 88,-0.1 2,-0.3 -0.159 61.0 119.6-101.5 37.6 14.6 43.0 7.0 68 72 A d E -DE 59 105B 0 -9,-1.2 -9,-2.5 37,-0.2 2,-0.4 -0.696 46.7-156.5 -99.9 156.3 18.0 42.7 8.8 69 73 A Y E -DE 58 104B 4 35,-2.4 35,-2.3 -2,-0.3 2,-0.4 -0.999 3.6-149.4-139.6 132.0 19.5 45.2 11.1 70 74 A Q E -DE 57 103B 44 -13,-2.5 -13,-1.7 -2,-0.4 33,-0.2 -0.878 24.2-117.3-106.5 133.1 23.1 45.8 12.0 71 75 A S - 0 0 1 31,-2.5 4,-0.1 -2,-0.4 -18,-0.1 -0.445 12.0-142.2 -70.9 134.9 24.2 47.2 15.4 72 76 A Y S S+ 0 0 106 -2,-0.2 2,-0.3 29,-0.1 -1,-0.1 0.901 89.7 48.5 -64.2 -41.9 26.0 50.5 15.2 73 77 A S S S- 0 0 81 27,-0.1 29,-0.5 1,-0.1 27,-0.1 -0.718 94.8-112.3 -90.3 150.5 28.3 49.4 18.0 74 78 A T - 0 0 59 -2,-0.3 2,-0.3 27,-0.2 27,-0.3 -0.419 37.7-147.8 -68.2 158.2 30.1 46.1 18.1 75 79 A M E - C 0 100A 14 25,-2.6 25,-1.6 -2,-0.1 2,-0.6 -0.923 21.2 -99.5-129.7 152.4 28.8 43.8 20.9 76 80 A S E + C 0 99A 48 -32,-0.3 -32,-2.8 -2,-0.3 2,-0.3 -0.670 57.7 164.9 -71.1 115.0 30.3 41.2 23.2 77 81 A I E -BC 43 98A 1 21,-2.4 21,-2.4 -2,-0.6 2,-0.4 -0.871 33.6-142.5-131.2 165.7 29.4 37.8 21.6 78 82 A T E -BC 42 97A 0 -36,-2.5 -36,-2.6 -2,-0.3 2,-0.4 -0.991 14.1-151.4-131.9 120.1 30.3 34.2 21.7 79 83 A D E -BC 41 96A 15 17,-2.9 17,-2.2 -2,-0.4 2,-0.5 -0.818 7.8-163.1 -88.8 129.8 30.4 32.1 18.6 80 84 A a E +BC 40 95A 0 -40,-1.9 -40,-2.3 -2,-0.4 2,-0.4 -0.983 14.6 173.0-115.4 124.0 29.7 28.3 19.0 81 85 A R E -BC 39 94A 123 13,-1.9 13,-3.0 -2,-0.5 -42,-0.2 -0.986 36.1-103.7-135.6 136.1 30.7 26.2 16.1 82 86 A E E - 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