==== 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 2P4A . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.TERESHKO,A.KOIDE,S.UYSAL,S.KOIDE . 490 4 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 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 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 PARALLEL BRIDGES PER LADDER . 2 4 7 2 4 8 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 6 0 0 0 0 0 0 0 0 0 1 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 0 255 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.7 30.7 -25.5 38.7 2 2 A E - 0 0 82 1,-0.1 2,-0.0 4,-0.1 0, 0.0 -0.460 360.0-132.1 -70.3 129.0 27.4 -24.3 40.4 3 3 A T > - 0 0 87 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.335 20.5-113.4 -73.1 161.2 25.4 -21.8 38.3 4 4 A A H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 119.3 52.5 -61.0 -40.7 24.1 -18.5 40.0 5 5 A A H > S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.913 110.8 45.9 -63.5 -42.5 20.5 -19.8 39.5 6 6 A A H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.878 109.8 55.1 -71.0 -36.6 21.3 -23.2 41.2 7 7 A K H X S+ 0 0 97 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.930 106.9 50.8 -58.6 -43.7 23.2 -21.3 44.1 8 8 A F H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 5,-0.4 0.913 110.0 49.9 -62.1 -41.0 20.0 -19.3 44.7 9 9 A E H X S+ 0 0 77 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.934 114.2 45.0 -63.7 -43.5 17.9 -22.4 44.8 10 10 A R H < S+ 0 0 59 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.889 120.5 38.8 -67.5 -42.5 20.3 -24.1 47.3 11 11 A Q H < S+ 0 0 33 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.795 134.0 15.0 -80.1 -27.5 20.6 -21.0 49.5 12 12 A H H < S+ 0 0 9 -4,-2.3 35,-3.1 -5,-0.3 2,-0.5 0.517 97.7 89.5-133.7 -7.3 17.0 -19.7 49.4 13 13 A M B < +a 47 0A 11 -4,-1.9 35,-0.2 -5,-0.4 37,-0.1 -0.843 26.9 155.0-102.7 129.6 14.4 -22.3 48.1 14 14 A D > + 0 0 8 33,-2.7 3,-0.8 -2,-0.5 36,-0.1 -0.536 6.0 157.1-142.1 78.9 12.6 -24.8 50.3 15 15 A S T 3 + 0 0 61 1,-0.2 33,-0.1 33,-0.2 35,-0.1 0.621 60.3 85.1 -73.8 -11.8 9.4 -25.6 48.5 16 16 A S T 3 S+ 0 0 97 33,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.771 94.4 37.3 -64.8 -27.6 9.3 -28.9 50.5 17 17 A T S < S- 0 0 44 -3,-0.8 3,-0.1 32,-0.1 -3,-0.1 -0.859 71.4-137.4-123.8 156.7 7.5 -27.3 53.5 18 18 A S S S- 0 0 101 -2,-0.3 2,-0.3 1,-0.3 30,-0.2 0.684 89.9 -11.9 -85.5 -18.6 4.8 -24.5 53.7 19 19 A A S S- 0 0 27 28,-0.1 -1,-0.3 82,-0.0 2,-0.2 -0.957 98.3 -61.6-166.7 165.5 6.7 -22.9 56.6 20 20 A A - 0 0 22 -2,-0.3 81,-0.1 61,-0.2 61,-0.0 -0.412 47.7-156.1 -57.1 122.6 9.6 -23.6 59.1 21 21 A S + 0 0 112 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.636 63.8 13.0 -87.9 -11.2 8.3 -26.7 60.9 22 22 A S S > S- 0 0 53 1,-0.0 3,-1.6 0, 0.0 4,-0.3 -0.983 76.6-102.5-153.8 167.8 10.4 -26.3 64.1 23 23 A S T 3 S+ 0 0 107 -2,-0.3 76,-0.3 1,-0.3 4,-0.3 0.596 120.8 56.7 -63.4 -15.1 12.7 -24.0 66.2 24 24 A N T 3> S+ 0 0 68 1,-0.1 4,-2.4 2,-0.1 -1,-0.3 0.407 75.9 102.2 -94.1 -0.9 15.6 -26.1 64.8 25 25 A Y H <> S+ 0 0 9 -3,-1.6 4,-3.1 1,-0.2 5,-0.3 0.928 82.8 44.0 -56.7 -52.0 14.8 -25.5 61.1 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-2.9 1,-0.2 5,-0.4 0.925 112.0 52.6 -62.5 -43.7 17.5 -22.9 60.5 27 27 A N H > S+ 0 0 48 70,-0.3 4,-1.2 -4,-0.3 -1,-0.2 0.935 116.9 40.6 -55.7 -42.2 20.2 -24.9 62.4 28 28 A Q H X S+ 0 0 92 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.948 120.6 41.5 -73.0 -46.0 19.3 -27.9 60.2 29 29 A M H X S+ 0 0 22 -4,-3.1 4,-2.5 -5,-0.2 6,-0.3 0.872 109.9 55.4 -77.1 -38.0 18.9 -26.1 56.9 30 30 A M H <>S+ 0 0 0 -4,-2.9 5,-2.3 -5,-0.3 6,-0.4 0.935 117.0 38.9 -60.3 -43.0 21.9 -23.7 57.2 31 31 A K H ><5S+ 0 0 152 -4,-1.2 3,-1.8 -5,-0.4 5,-0.3 0.951 115.9 51.2 -70.1 -47.4 24.1 -26.7 57.7 32 32 A S H 3<5S+ 0 0 86 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.846 109.1 50.1 -62.8 -34.5 22.3 -28.9 55.1 33 33 A R T 3<5S- 0 0 59 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.275 117.9-110.9 -91.0 14.2 22.5 -26.3 52.3 34 34 A N T < 5S+ 0 0 90 -3,-1.8 3,-0.5 1,-0.1 4,-0.2 0.787 79.5 130.1 67.6 30.6 26.3 -25.8 53.0 35 35 A L S - 0 0 50 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.328 37.8-119.6 -63.3 150.8 7.0 -23.3 44.5 51 51 A L H > S+ 0 0 56 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.927 116.5 56.8 -55.1 -43.0 10.1 -22.6 42.4 52 52 A A H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 107.0 47.2 -55.2 -48.0 7.7 -21.5 39.6 53 53 A D H > S+ 0 0 87 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.891 114.7 45.7 -63.3 -41.7 6.1 -18.9 41.8 54 54 A V H >< S+ 0 0 1 -4,-2.0 3,-1.1 2,-0.2 4,-0.4 0.928 112.3 50.7 -69.9 -42.7 9.5 -17.5 43.0 55 55 A Q H >< S+ 0 0 66 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.866 102.5 62.6 -61.7 -33.7 10.9 -17.5 39.4 56 56 A A H >< S+ 0 0 38 -4,-2.0 3,-2.5 -5,-0.3 -1,-0.3 0.740 83.5 77.5 -63.7 -22.4 7.8 -15.6 38.3 57 57 A V G X< S+ 0 0 0 -3,-1.1 3,-2.3 -4,-0.6 -1,-0.3 0.858 80.6 69.6 -57.8 -29.9 8.9 -12.7 40.6 58 58 A c G < S+ 0 0 6 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.641 100.8 47.1 -63.5 -12.1 11.4 -11.8 37.8 59 59 A S G < S+ 0 0 50 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.330 103.8 80.7-104.6 4.6 8.3 -10.8 35.8 60 60 A Q S < S- 0 0 41 -3,-2.3 2,-0.2 -4,-0.2 15,-0.1 0.118 96.5 -22.0-101.3-152.4 6.7 -8.7 38.6 61 61 A K E -D 74 0B 89 13,-1.0 13,-2.5 12,-0.1 2,-0.3 -0.358 62.4-135.2 -67.6 124.0 7.4 -5.2 39.9 62 62 A N E +D 73 0B 7 11,-0.2 2,-0.3 -2,-0.2 11,-0.3 -0.606 34.8 167.4 -77.0 126.8 10.9 -3.9 39.0 63 63 A V E -D 72 0B 23 9,-2.5 9,-1.2 -2,-0.3 2,-0.1 -0.921 39.6 -88.3-136.0 161.4 12.6 -2.2 42.0 64 64 A A - 0 0 63 -2,-0.3 6,-0.2 7,-0.1 2,-0.2 -0.426 40.7-124.4 -67.9 143.6 16.2 -1.0 42.8 65 65 A d > - 0 0 9 4,-3.4 3,-1.8 1,-0.1 -1,-0.1 -0.569 24.2-111.7 -79.7 153.8 18.5 -3.5 44.4 66 66 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.818 119.2 55.4 -55.1 -29.8 20.2 -2.6 47.8 67 67 A N T 3 S- 0 0 111 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.461 125.2-100.2 -89.4 4.4 23.6 -2.4 46.0 68 68 A G S < S+ 0 0 55 -3,-1.8 -2,-0.1 1,-0.4 -1,-0.1 0.233 81.3 131.3 99.3 -13.9 22.2 0.2 43.4 69 69 A Q - 0 0 36 1,-0.1 -4,-3.4 -5,-0.1 -1,-0.4 -0.332 50.4-147.4 -63.2 156.7 21.6 -2.3 40.5 70 70 A T S S+ 0 0 15 -6,-0.2 88,-0.3 1,-0.1 87,-0.2 0.193 73.7 93.5-116.9 17.0 18.2 -1.9 38.9 71 71 A N + 0 0 0 153,-0.1 39,-2.2 -9,-0.1 2,-0.3 -0.180 58.9 116.9-103.0 37.8 17.5 -5.6 38.0 72 72 A d E -DE 63 109B 0 -9,-1.2 -9,-2.5 37,-0.2 2,-0.4 -0.770 45.8-160.7-102.5 155.6 15.6 -6.4 41.2 73 73 A Y E -DE 62 108B 4 35,-2.4 35,-2.3 -2,-0.3 2,-0.4 -0.993 8.7-144.1-140.5 137.8 11.9 -7.5 41.4 74 74 A Q E -DE 61 107B 46 -13,-2.5 -13,-1.0 -2,-0.4 33,-0.2 -0.893 29.2-111.9-107.9 130.3 9.5 -7.5 44.3 75 75 A S - 0 0 1 31,-2.6 4,-0.1 -2,-0.4 -18,-0.1 -0.339 14.9-142.6 -63.7 136.0 6.9 -10.3 44.6 76 76 A Y S S+ 0 0 166 29,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.891 87.1 46.7 -68.8 -34.4 3.3 -9.0 44.0 77 77 A S S S- 0 0 70 27,-0.1 29,-0.4 1,-0.1 2,-0.1 -0.706 94.8-105.7-100.2 155.8 2.1 -11.4 46.7 78 78 A T - 0 0 74 -2,-0.3 2,-0.3 27,-0.2 27,-0.3 -0.456 40.1-152.9 -66.4 152.6 3.5 -12.0 50.2 79 79 A M E - C 0 104A 12 25,-2.6 25,-1.8 -2,-0.1 2,-0.5 -0.937 21.7-103.4-129.6 151.1 5.2 -15.4 50.4 80 80 A S E + C 0 103A 10 -2,-0.3 -32,-2.9 -32,-0.3 2,-0.3 -0.654 54.6 165.2 -72.0 120.5 5.9 -17.8 53.2 81 81 A I E -BC 47 102A 0 21,-2.7 21,-2.6 -2,-0.5 2,-0.4 -0.903 32.4-141.7-132.2 166.1 9.5 -17.3 54.3 82 82 A T E -BC 46 101A 0 -36,-2.4 -36,-2.4 -2,-0.3 2,-0.5 -0.997 13.8-150.3-125.5 127.4 11.8 -18.2 57.2 83 83 A D E -BC 45 100A 32 17,-3.0 17,-2.2 -2,-0.4 2,-0.5 -0.837 9.4-158.9 -94.4 133.3 14.4 -15.8 58.3 84 84 A a E +BC 44 99A 0 -40,-2.8 -40,-2.1 -2,-0.5 2,-0.4 -0.964 12.6 179.0-112.8 126.4 17.5 -17.4 59.9 85 85 A R E -BC 43 98A 131 13,-1.8 13,-2.9 -2,-0.5 -42,-0.2 -0.986 32.0-115.3-132.0 124.6 19.7 -15.2 62.2 86 86 A E E - 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