==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-08 3EUZ . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.DECHENE,G.WINK,M.SMITH,P.SWARTZ,C.MATTOS . 239 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 28.5 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 2 0 0 2 2 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 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 . 2 0 4 0 2 2 0 2 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 4 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 2 A E 0 0 154 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.3 -85.4 15.4 26.0 2 3 A T > - 0 0 98 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.217 360.0-108.1 -76.0 169.7 -84.1 14.3 22.6 3 4 A A H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.879 122.5 50.2 -65.7 -37.5 -84.5 10.8 21.1 4 5 A A H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 110.3 49.1 -67.3 -41.1 -80.8 10.1 21.7 5 6 A A H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.899 109.6 52.8 -64.7 -40.8 -81.1 11.3 25.3 6 7 A K H X S+ 0 0 96 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.870 106.4 53.1 -62.9 -38.2 -84.1 9.1 25.8 7 8 A F H X S+ 0 0 4 -4,-1.8 4,-2.9 106,-0.2 5,-0.4 0.921 109.5 48.4 -63.4 -44.7 -82.2 6.1 24.5 8 9 A E H X S+ 0 0 81 -4,-1.8 4,-1.8 3,-0.2 -2,-0.2 0.909 113.6 47.3 -61.9 -41.8 -79.4 6.7 27.0 9 10 A R H < S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.901 120.3 37.0 -66.8 -42.5 -82.0 7.0 29.9 10 11 A Q H < S+ 0 0 34 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.808 133.7 17.7 -81.9 -29.8 -83.9 3.9 28.9 11 12 A H H < S+ 0 0 11 -4,-2.9 32,-3.4 -5,-0.2 2,-0.5 0.553 97.5 90.0-124.8 -7.0 -81.1 1.6 27.8 12 13 A M B < +a 43 0A 13 -4,-1.8 32,-0.2 -5,-0.4 3,-0.1 -0.830 26.7 149.8-103.0 130.9 -77.6 2.8 29.0 13 14 A D + 0 0 21 30,-2.7 33,-0.1 -2,-0.5 29,-0.1 -0.460 4.3 158.0-151.9 69.7 -76.0 1.7 32.3 14 15 A S 0 0 59 1,-0.2 30,-0.1 31,-0.0 32,-0.1 0.715 360.0 360.0 -67.7 -22.6 -72.2 1.7 31.9 15 16 A S 0 0 151 30,-0.1 -1,-0.2 -3,-0.1 29,-0.1 0.949 360.0 360.0 -61.8 360.0 -71.8 2.0 35.6 16 ! 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 17 21 A S 0 0 115 0, 0.0 80,-0.2 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 -65.5 -76.8 -7.4 38.3 18 22 A S > - 0 0 54 1,-0.1 3,-1.6 78,-0.1 4,-0.4 -0.209 360.0-103.6 -70.9 165.8 -78.6 -8.1 41.6 19 23 A S T 3 S+ 0 0 103 1,-0.3 76,-0.4 2,-0.1 4,-0.2 0.667 124.1 42.9 -63.9 -18.1 -82.0 -9.8 41.8 20 24 A N T 3> S+ 0 0 69 1,-0.1 4,-2.1 2,-0.1 -1,-0.3 0.279 81.9 106.2-111.0 9.7 -83.6 -6.4 42.5 21 25 A Y H <> S+ 0 0 23 -3,-1.6 4,-3.3 1,-0.2 5,-0.2 0.921 82.6 45.3 -53.3 -51.6 -81.6 -4.5 39.9 22 26 A a H > S+ 0 0 0 -4,-0.4 4,-2.6 1,-0.2 5,-0.3 0.870 109.3 55.0 -63.1 -39.8 -84.6 -4.2 37.5 23 27 A N H > S+ 0 0 61 70,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.910 117.4 37.2 -60.1 -41.3 -87.0 -3.2 40.2 24 28 A Q H X S+ 0 0 120 -4,-2.1 4,-2.5 2,-0.1 3,-0.2 0.938 120.0 45.3 -75.9 -49.1 -84.7 -0.3 41.2 25 29 A M H X S+ 0 0 23 -4,-3.3 4,-2.1 1,-0.2 6,-0.2 0.869 107.3 55.8 -64.6 -43.7 -83.5 0.7 37.7 26 30 A M H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 6,-0.5 0.830 115.3 40.7 -60.3 -32.7 -86.9 0.7 36.0 27 31 A K H ><5S+ 0 0 155 -4,-0.7 3,-1.8 -5,-0.3 5,-0.2 0.919 113.6 50.8 -81.7 -46.1 -88.2 3.1 38.6 28 32 A S H 3<5S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.786 110.7 50.3 -62.6 -29.0 -85.1 5.3 38.8 29 33 A R T 3<5S- 0 0 55 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.213 116.7-115.9 -93.6 14.2 -85.0 5.7 35.0 30 34 A N T X 5S+ 0 0 88 -3,-1.8 3,-0.6 1,-0.1 4,-0.2 0.782 74.4 133.4 56.1 37.5 -88.7 6.7 35.0 31 35 A L T 3 - 0 0 49 1,-0.1 4,-1.8 -32,-0.1 5,-0.2 -0.297 36.0-116.8 -69.2 156.2 -69.5 2.3 27.3 47 51 A L H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.884 116.7 55.1 -59.9 -39.3 -71.6 4.9 25.5 48 52 A A H > S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 106.7 50.0 -60.6 -43.5 -68.9 5.1 22.8 49 53 A D H 4 S+ 0 0 67 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.871 114.3 44.1 -64.1 -38.7 -69.1 1.3 22.2 50 54 A V H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.887 111.7 51.9 -74.0 -39.9 -72.9 1.4 21.8 51 55 A Q H >< S+ 0 0 74 -4,-2.9 3,-1.2 1,-0.3 -2,-0.2 0.828 102.1 64.0 -65.1 -27.3 -72.8 4.5 19.6 52 56 A A G >< S+ 0 0 26 -4,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.688 83.3 75.7 -69.1 -19.8 -70.3 2.6 17.5 53 57 A V G X S+ 0 0 0 -3,-1.2 3,-2.1 -4,-0.4 -1,-0.3 0.794 79.1 73.2 -64.3 -24.4 -72.9 0.0 16.6 54 58 A c G < S+ 0 0 7 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.589 99.9 45.3 -66.1 -10.1 -74.5 2.6 14.2 55 59 A S G < S+ 0 0 18 -3,-1.7 -1,-0.3 -4,-0.1 81,-0.2 0.227 105.6 78.5-114.1 10.4 -71.5 2.0 11.9 56 60 A Q S < S- 0 0 12 -3,-2.1 2,-0.7 1,-0.2 15,-0.2 0.277 94.8 -11.4 -96.2-139.8 -71.7 -1.8 12.2 57 61 A K E -D 70 0B 94 13,-1.5 13,-3.0 1,-0.1 2,-0.3 -0.479 62.9-143.3 -70.2 109.3 -73.9 -4.5 10.6 58 62 A N E +D 69 0B 78 -2,-0.7 2,-0.3 11,-0.2 11,-0.3 -0.524 32.3 163.7 -73.1 124.2 -76.9 -3.0 8.9 59 63 A V E -D 68 0B 32 9,-2.6 9,-1.1 -2,-0.3 2,-0.1 -0.930 42.5 -85.6-137.9 162.0 -80.0 -5.2 9.4 60 64 A A - 0 0 79 -2,-0.3 6,-0.2 7,-0.1 2,-0.2 -0.428 43.5-123.6 -70.0 140.1 -83.7 -4.8 9.0 61 65 A d > - 0 0 8 4,-3.1 3,-2.2 -2,-0.1 -1,-0.1 -0.501 23.0-111.9 -79.3 156.9 -85.6 -3.4 12.0 62 66 A K T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.837 119.9 54.0 -57.7 -32.0 -88.5 -5.3 13.5 63 67 A N T 3 S- 0 0 105 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.467 123.9-103.3 -82.5 -1.6 -90.9 -2.6 12.2 64 68 A G S < S+ 0 0 59 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.0 0.317 79.2 130.3 99.6 -12.2 -89.6 -3.0 8.7 65 69 A Q - 0 0 97 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.315 56.6-135.0 -70.9 163.7 -87.4 0.1 8.6 66 70 A T S S+ 0 0 109 -6,-0.2 -1,-0.1 1,-0.2 -7,-0.1 0.317 79.0 92.4-104.8 7.4 -83.8 -0.2 7.3 67 71 A N + 0 0 21 -9,-0.1 39,-2.4 2,-0.0 2,-0.3 -0.093 56.9 116.3 -96.1 35.5 -81.9 1.8 9.9 68 72 A d E -DE 59 105B 0 -9,-1.1 -9,-2.6 37,-0.2 2,-0.4 -0.767 42.9-164.2-105.0 149.9 -81.0 -1.0 12.4 69 73 A Y E -DE 58 104B 32 35,-2.4 35,-2.3 -2,-0.3 2,-0.4 -0.999 8.5-148.3-137.4 134.9 -77.6 -2.1 13.2 70 74 A Q E -DE 57 103B 42 -13,-3.0 -13,-1.5 -2,-0.4 33,-0.2 -0.831 27.6-113.6-103.6 135.5 -76.3 -5.3 14.9 71 75 A S - 0 0 1 31,-2.5 4,-0.1 -2,-0.4 -18,-0.1 -0.416 11.3-143.3 -69.2 138.8 -73.2 -5.3 17.1 72 76 A Y S S+ 0 0 25 -2,-0.1 2,-0.3 78,-0.1 -1,-0.1 0.804 87.7 44.8 -70.0 -30.5 -70.2 -7.3 15.7 73 77 A S S S- 0 0 38 27,-0.1 29,-0.4 29,-0.1 27,-0.1 -0.810 95.4-102.9-114.2 154.6 -69.3 -8.3 19.3 74 78 A T - 0 0 74 -2,-0.3 2,-0.3 27,-0.1 27,-0.3 -0.413 37.9-150.5 -72.0 151.9 -71.5 -9.5 22.1 75 79 A M E - C 0 100A 14 25,-3.2 25,-1.8 -2,-0.1 2,-0.5 -0.945 20.0-107.4-127.4 149.5 -72.3 -7.0 24.8 76 80 A S E + C 0 99A 31 -2,-0.3 -32,-2.7 23,-0.2 -31,-0.5 -0.636 53.0 165.0 -74.9 121.9 -73.0 -7.3 28.5 77 81 A I E -BC 43 98A 2 21,-2.9 21,-2.6 -2,-0.5 2,-0.4 -0.933 33.7-142.9-138.5 162.2 -76.7 -6.6 29.0 78 82 A T E -BC 42 97A 0 -36,-2.4 -36,-2.7 -2,-0.3 2,-0.4 -0.993 15.6-152.8-129.5 120.5 -79.5 -6.9 31.6 79 83 A D E -BC 41 96A 19 17,-3.0 17,-1.9 -2,-0.4 2,-0.5 -0.805 7.1-157.5 -94.7 133.4 -83.0 -7.8 30.4 80 84 A a E -BC 40 95A 0 -40,-3.2 -40,-1.9 -2,-0.4 2,-0.4 -0.962 11.8-178.7-114.7 124.7 -85.9 -6.7 32.6 81 85 A R E -BC 39 94A 135 13,-1.5 13,-2.9 -2,-0.5 -42,-0.2 -0.986 27.5-121.0-128.8 127.1 -89.3 -8.5 32.4 82 86 A E E - C 0 93A 68 -44,-2.6 11,-0.3 -2,-0.4 9,-0.0 -0.415 30.1-133.0 -65.5 130.0 -92.4 -7.6 34.3 83 87 A T - 0 0 51 9,-2.0 3,-0.4 -2,-0.2 9,-0.2 -0.187 17.6-114.3 -76.2 172.0 -93.7 -10.5 36.5 84 88 A G S S+ 0 0 72 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.885 116.7 55.2 -74.7 -38.3 -97.3 -11.7 36.6 85 89 A S S S+ 0 0 92 2,-0.0 2,-0.3 6,-0.0 -1,-0.2 0.526 84.8 114.7 -71.1 -7.0 -97.8 -10.6 40.2 86 90 A S + 0 0 10 -3,-0.4 2,-0.4 6,-0.2 5,-0.2 -0.530 41.5 175.4 -71.9 124.5 -96.6 -7.1 39.2 87 91 A K B > -G 90 0C 140 3,-1.4 3,-1.2 -2,-0.3 -2,-0.0 -0.989 33.9 -77.0-135.9 126.3 -99.3 -4.4 39.5 88 92 A Y T 3 S+ 0 0 127 -2,-0.4 -54,-0.0 1,-0.3 -56,-0.0 -0.268 113.1 22.7 -58.3 142.7 -99.0 -0.7 38.9 89 93 A P T 3 S+ 0 0 90 0, 0.0 2,-1.7 0, 0.0 -1,-0.3 -0.999 125.3 56.2 -78.4 -9.4 -97.7 1.5 40.6 90 94 A N B < S-G 87 0C 133 -3,-1.2 -3,-1.4 -54,-0.0 2,-0.5 -0.589 77.6-173.9 -84.7 79.1 -95.7 -1.3 42.3 91 95 A b - 0 0 18 -2,-1.7 2,-0.4 -5,-0.2 -64,-0.1 -0.635 6.3-158.7 -79.8 123.8 -94.1 -2.8 39.1 92 96 A A - 0 0 30 -2,-0.5 -9,-2.0 -9,-0.2 2,-0.3 -0.865 9.7-167.5-105.4 137.6 -92.1 -6.0 39.8 93 97 A Y E -C 82 0A 9 -2,-0.4 2,-0.6 -11,-0.3 -70,-0.3 -0.925 22.0-131.0-129.8 151.6 -89.4 -7.2 37.4 94 98 A K E -C 81 0A 127 -13,-2.9 -13,-1.5 -2,-0.3 2,-0.5 -0.862 26.5-144.9 -98.1 121.6 -87.3 -10.2 36.7 95 99 A T E +C 80 0A 27 -2,-0.6 2,-0.4 -76,-0.4 -15,-0.2 -0.801 22.7 173.6 -93.3 123.2 -83.6 -9.4 36.4 96 100 A T E -C 79 0A 60 -17,-1.9 -17,-3.0 -2,-0.5 2,-0.3 -0.964 16.2-154.7-134.8 117.1 -81.6 -11.5 33.9 97 101 A Q E +C 78 0A 80 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.635 25.6 158.8 -86.9 145.5 -77.9 -10.8 32.9 98 102 A A E -C 77 0A 28 -21,-2.6 -21,-2.9 -2,-0.3 2,-0.5 -0.975 39.9-130.0-159.4 166.6 -76.6 -11.9 29.5 99 103 A N E +C 76 0A 108 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.934 50.6 136.4-127.2 102.3 -74.0 -11.4 26.9 100 104 A K E -C 75 0A 67 -25,-1.8 -25,-3.2 -2,-0.5 2,-0.2 -0.903 57.6 -90.4-142.1 168.0 -75.5 -11.0 23.5 101 105 A H - 0 0 54 19,-2.8 19,-2.8 -2,-0.3 2,-0.3 -0.583 44.5-142.1 -78.4 143.8 -75.3 -9.0 20.3 102 106 A I E - F 0 119B 0 -29,-0.4 -31,-2.5 17,-0.2 2,-0.5 -0.812 7.9-152.9-110.9 152.0 -77.5 -5.9 20.3 103 107 A I E +EF 70 118B 16 15,-2.9 14,-2.2 -2,-0.3 15,-1.7 -0.996 20.8 174.8-123.5 123.0 -79.6 -4.4 17.5 104 108 A V E -EF 69 116B 0 -35,-2.3 -35,-2.4 -2,-0.5 2,-0.4 -0.928 28.7-127.0-128.7 151.7 -80.4 -0.7 17.7 105 109 A A E -EF 68 115B 8 10,-2.6 9,-3.1 -2,-0.3 10,-1.3 -0.835 29.0-158.3 -95.2 137.9 -82.0 1.8 15.3 106 110 A c E + F 0 113B 0 -39,-2.4 2,-0.3 -2,-0.4 5,-0.1 -0.907 17.3 161.4-121.4 148.2 -80.0 4.9 14.6 107 111 A E E > + F 0 112B 97 5,-2.1 5,-2.1 -2,-0.3 -53,-0.0 -0.965 31.2 31.7-154.2 165.4 -81.0 8.3 13.3 108 112 A G T 5S- 0 0 55 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.159 83.4 -46.3 85.1-176.4 -79.8 11.9 13.1 109 113 A N T 5S+ 0 0 169 1,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.903 134.1 40.3-140.4 104.7 -76.6 13.9 12.7 110 114 A P T 5S- 0 0 99 0, 0.0 2,-0.9 0, 0.0 -1,-0.3 0.441 110.3-129.1 -60.8 146.0 -74.7 12.8 14.6 111 115 A Y T 5 + 0 0 92 26,-0.2 -3,-0.2 -2,-0.2 -57,-0.1 -0.658 48.8 156.1 -74.7 105.3 -76.0 9.3 13.6 112 116 A V E < -F 107 0B 22 -5,-2.1 -5,-2.1 -2,-0.9 2,-0.1 -0.848 47.7 -77.9-133.1 166.1 -76.7 7.8 17.0 113 117 A P E +F 106 0B 5 0, 0.0 -7,-0.3 0, 0.0 -106,-0.2 -0.428 44.0 161.7 -66.4 133.2 -78.9 5.1 18.7 114 118 A V E + 0 0 31 -9,-3.1 2,-0.3 1,-0.3 -8,-0.2 0.467 64.2 31.4-126.1 -11.1 -82.5 6.1 19.2 115 119 A H E -F 105 0B 87 -10,-1.3 -10,-2.6 -108,-0.0 2,-0.8 -0.990 66.0-135.6-152.3 136.9 -84.3 2.8 19.8 116 120 A F E +F 104 0B 20 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.861 28.1 176.3 -94.0 113.7 -83.3 -0.6 21.2 117 121 A D E - 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