==== 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 2P44 . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.TERESHKO,S.UYSAL,A.KOIDE,K.MARGALEF,S.KOIDE,A.A.KOSSIAKOFF . 242 3 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.7 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 . 1 0.4 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 . 20 8.3 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 . 3 1.2 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 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 . 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 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 2 1 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 0 243 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.6 2.6 27.4 19.4 2 2 A E - 0 0 105 1,-0.1 2,-0.1 4,-0.1 3,-0.0 -0.495 360.0-122.8 -53.5 133.3 6.0 28.6 20.5 3 3 A T > - 0 0 79 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.484 12.5-116.5 -78.8 158.3 6.2 32.2 19.1 4 4 A A H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.883 117.2 53.1 -59.0 -39.4 9.0 33.2 16.7 5 5 A A H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 108.4 49.0 -64.1 -45.5 10.3 35.7 19.3 6 6 A A H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.892 108.7 54.5 -61.7 -37.3 10.4 33.1 22.1 7 7 A K H X S+ 0 0 78 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.936 106.5 50.8 -65.6 -43.9 12.4 30.7 19.7 8 8 A F H X>S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 5,-0.6 0.921 111.8 47.4 -57.5 -44.6 15.0 33.4 19.0 9 9 A E H X5S+ 0 0 75 -4,-1.8 4,-1.5 3,-0.2 -2,-0.2 0.934 114.6 47.6 -63.8 -41.4 15.4 33.9 22.8 10 10 A R H <5S+ 0 0 57 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.910 119.9 37.7 -65.5 -41.7 15.7 30.1 23.3 11 11 A Q H <5S+ 0 0 32 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.872 136.1 11.1 -78.6 -33.2 18.2 29.6 20.5 12 12 A H H <5S+ 0 0 9 -4,-2.6 31,-2.8 -5,-0.3 2,-0.7 0.575 97.5 89.8-131.5 -15.3 20.4 32.8 20.9 13 13 A M B << +a 43 0A 13 -4,-1.5 31,-0.1 -5,-0.6 2,-0.1 -0.815 29.0 149.3 -97.5 115.6 19.8 34.7 24.2 14 14 A D - 0 0 37 29,-1.9 3,-0.1 -2,-0.7 -1,-0.1 -0.609 24.0-174.8-134.1 74.5 21.9 33.7 27.1 15 15 A S - 0 0 35 1,-0.1 29,-0.1 29,-0.1 2,-0.1 -0.421 42.0 -90.5 -66.8 147.6 22.2 37.0 29.0 16 16 A S 0 0 105 28,-0.2 -1,-0.1 1,-0.2 28,-0.0 -0.398 360.0 360.0 -63.2 132.3 24.6 36.6 32.0 17 17 A T 0 0 181 -2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.234 360.0 360.0-137.3 360.0 22.7 35.6 35.2 18 ! 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 19 23 A S 0 0 150 0, 0.0 76,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -45.2 36.3 26.2 27.2 20 24 A N > + 0 0 98 1,-0.2 4,-1.8 2,-0.1 3,-0.4 0.402 360.0 111.7 -90.6 4.7 33.2 24.0 27.9 21 25 A Y H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 76.2 45.9 -46.2 -53.1 30.6 26.7 27.5 22 26 A a H > S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.844 107.2 54.1 -70.8 -36.1 29.0 25.5 24.2 23 27 A N H > S+ 0 0 48 -3,-0.4 4,-0.9 70,-0.3 -1,-0.2 0.962 112.6 46.9 -60.5 -47.0 28.7 21.8 25.1 24 28 A Q H X S+ 0 0 134 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.942 118.9 40.3 -56.1 -43.1 26.7 22.8 28.2 25 29 A M H X S+ 0 0 18 -4,-2.0 4,-1.1 -5,-0.3 -2,-0.2 0.863 103.6 61.6 -89.1 -31.1 24.5 25.3 26.4 26 30 A M H <>S+ 0 0 0 -4,-2.6 5,-1.5 1,-0.2 6,-0.6 0.810 107.3 46.4 -64.3 -30.5 23.7 23.6 23.0 27 31 A K H ><5S+ 0 0 125 -4,-0.9 3,-1.8 -5,-0.2 5,-0.3 0.935 106.2 58.1 -75.6 -47.4 21.8 20.6 24.8 28 32 A S H 3<5S+ 0 0 74 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.816 104.2 51.6 -48.4 -38.4 19.8 22.8 27.2 29 33 A R T 3<5S- 0 0 51 -4,-1.1 -1,-0.3 -18,-0.1 -2,-0.1 0.243 117.1-106.1 -95.6 17.1 18.1 24.8 24.4 30 34 A N T < 5S+ 0 0 74 -3,-1.8 4,-0.2 1,-0.1 -3,-0.2 0.878 88.2 122.7 58.5 38.2 16.9 21.8 22.4 31 35 A L S - 0 0 47 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.282 36.3-117.8 -68.7 154.5 20.6 42.1 27.8 47 51 A L H > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.931 117.6 54.8 -57.0 -40.6 17.4 41.2 26.0 48 52 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 105.8 49.9 -60.3 -42.9 16.6 44.9 25.8 49 53 A D H 4 S+ 0 0 81 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.840 115.1 43.7 -66.9 -33.8 20.0 45.8 24.1 50 54 A V H >< S+ 0 0 0 -4,-1.6 3,-1.2 2,-0.2 4,-0.4 0.886 112.1 51.5 -77.6 -43.8 19.5 43.0 21.4 51 55 A Q H >< S+ 0 0 64 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.901 102.3 63.8 -57.4 -37.2 15.8 43.9 20.8 52 56 A A G >< S+ 0 0 40 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.726 83.7 75.4 -59.9 -22.5 17.1 47.5 20.3 53 57 A V G X S+ 0 0 0 -3,-1.2 3,-2.4 -4,-0.3 -1,-0.3 0.840 80.0 72.0 -63.0 -28.8 19.1 46.4 17.2 54 58 A c G < S+ 0 0 5 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.667 99.7 46.7 -60.6 -15.5 15.7 46.2 15.3 55 59 A S G < S+ 0 0 83 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.323 103.9 79.3-104.3 6.5 15.7 50.1 15.4 56 60 A Q S < S- 0 0 38 -3,-2.4 2,-0.5 1,-0.2 15,-0.1 0.281 97.5 -19.1 -98.2-142.2 19.4 50.4 14.3 57 61 A K E -D 70 0B 78 13,-1.3 13,-2.4 1,-0.1 2,-0.3 -0.520 60.6-136.8 -76.9 118.1 21.0 50.1 10.8 58 62 A N E +D 69 0B 10 -2,-0.5 2,-0.3 11,-0.2 11,-0.3 -0.545 36.6 166.0 -67.1 123.3 18.7 48.3 8.2 59 63 A V E -D 68 0B 26 9,-2.6 9,-1.2 -2,-0.3 2,-0.2 -0.926 41.3 -91.9-135.5 162.5 21.0 45.9 6.2 60 64 A A - 0 0 59 -2,-0.3 6,-0.3 7,-0.1 5,-0.1 -0.541 40.8-122.5 -73.0 139.5 20.4 42.9 3.8 61 65 A d > - 0 0 7 4,-3.8 3,-1.4 -2,-0.2 -1,-0.1 -0.354 32.8-101.6 -67.2 162.1 20.3 39.5 5.4 62 66 A K T 3 S+ 0 0 152 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.859 124.3 51.9 -55.9 -35.8 22.9 37.0 4.0 63 67 A N T 3 S- 0 0 112 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.578 126.1 -98.6 -82.3 -8.4 20.1 35.3 2.0 64 68 A G S < S+ 0 0 41 -3,-1.4 -2,-0.1 1,-0.4 2,-0.1 0.339 77.9 136.7 105.5 -7.8 18.9 38.6 0.4 65 69 A Q - 0 0 44 1,-0.1 -4,-3.8 -5,-0.1 -1,-0.4 -0.467 45.9-148.4 -61.1 152.1 15.9 39.4 2.7 66 70 A T S S+ 0 0 13 -6,-0.3 90,-0.3 1,-0.2 89,-0.3 0.235 74.6 88.7-116.7 9.6 16.0 43.1 3.6 67 71 A N + 0 0 0 -9,-0.1 39,-2.2 88,-0.1 2,-0.3 -0.069 62.8 117.2 -97.3 35.4 14.4 43.1 7.1 68 72 A d E -DE 59 105B 0 -9,-1.2 -9,-2.6 37,-0.2 2,-0.4 -0.726 46.9-159.0 -99.7 155.5 17.8 42.6 8.9 69 73 A Y E -DE 58 104B 4 35,-2.6 35,-2.0 -2,-0.3 2,-0.4 -0.994 6.4-145.5-135.5 135.3 19.4 45.1 11.3 70 74 A Q E -DE 57 103B 50 -13,-2.4 -13,-1.3 -2,-0.4 33,-0.2 -0.860 24.3-117.7-102.4 137.7 23.1 45.5 12.3 71 75 A S - 0 0 2 31,-2.4 4,-0.1 -2,-0.4 -18,-0.1 -0.475 15.3-138.6 -70.4 138.8 24.0 46.6 15.9 72 76 A Y S S+ 0 0 106 -2,-0.2 2,-0.2 29,-0.1 -1,-0.1 0.915 88.9 42.1 -68.2 -40.1 25.9 49.9 15.9 73 77 A S S S- 0 0 83 1,-0.1 29,-0.4 27,-0.1 2,-0.1 -0.667 96.5-104.2 -96.7 159.3 28.4 48.6 18.6 74 78 A T - 0 0 59 -2,-0.2 27,-0.3 27,-0.2 2,-0.3 -0.435 39.5-149.3 -69.8 159.7 30.0 45.2 18.8 75 79 A M E - C 0 100A 17 25,-2.8 25,-1.7 -2,-0.1 2,-0.4 -0.961 21.9 -97.6-134.1 152.4 28.4 42.8 21.4 76 80 A S E + C 0 99A 34 -2,-0.3 -32,-2.8 23,-0.2 2,-0.3 -0.558 56.0 165.8 -71.5 123.1 29.8 39.9 23.6 77 81 A I E -BC 43 98A 0 21,-2.3 21,-2.3 -2,-0.4 2,-0.4 -0.925 33.8-142.2-138.9 159.4 28.9 36.6 21.8 78 82 A T E -BC 42 97A 0 -36,-2.6 -36,-2.5 -2,-0.3 2,-0.5 -0.990 14.0-154.4-123.1 120.2 29.8 32.9 21.9 79 83 A D E -BC 41 96A 13 17,-2.0 17,-1.5 -2,-0.4 2,-0.5 -0.824 7.7-160.3 -87.0 127.7 30.0 31.0 18.6 80 84 A a E +BC 40 95A 0 -40,-3.1 -40,-2.1 -2,-0.5 2,-0.4 -0.957 14.3 176.9-109.6 121.8 29.3 27.2 19.0 81 85 A R E -BC 39 94A 123 13,-1.6 13,-3.0 -2,-0.5 -42,-0.2 -0.989 34.5-108.4-129.4 127.7 30.7 25.1 16.1 82 86 A E E - 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