==== 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 2P42 . 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 . 490 4 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 64.9 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 . 156 31.8 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 . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.4 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 . 5 1.0 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 6 2 2 10 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 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 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 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.8 15.7 -15.9 -6.0 2 2 A E - 0 0 90 1,-0.1 2,-0.1 4,-0.1 3,-0.0 -0.336 360.0-113.3 -55.4 141.0 13.0 -14.0 -4.0 3 3 A T > - 0 0 86 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.442 16.4-116.9 -76.6 162.3 14.4 -10.6 -3.1 4 4 A A H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.876 117.4 53.3 -65.9 -35.2 15.3 -9.6 0.5 5 5 A A H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.938 110.7 46.1 -66.1 -43.8 12.6 -6.9 0.4 6 6 A A H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.887 110.3 53.7 -65.1 -38.8 10.0 -9.4 -0.8 7 7 A K H X S+ 0 0 86 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.908 106.6 51.9 -65.0 -40.8 11.0 -11.9 1.9 8 8 A F H X>S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 5,-0.5 0.928 110.2 49.6 -59.5 -43.8 10.6 -9.3 4.6 9 9 A E H X5S+ 0 0 77 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.947 114.8 43.8 -62.4 -43.4 7.1 -8.6 3.3 10 10 A R H <5S+ 0 0 64 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 120.6 40.1 -68.4 -43.8 6.2 -12.3 3.3 11 11 A Q H <5S+ 0 0 24 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.805 132.9 14.2 -74.9 -30.6 7.8 -13.0 6.7 12 12 A H H <5S+ 0 0 14 -4,-2.5 35,-3.3 -5,-0.3 2,-0.5 0.579 96.7 88.5-131.6 -15.4 6.7 -9.9 8.6 13 13 A M B << +a 47 0A 10 -4,-1.7 35,-0.2 -5,-0.5 2,-0.1 -0.803 29.2 163.2 -97.2 130.7 3.9 -7.8 7.0 14 14 A D > + 0 0 5 33,-2.7 3,-1.0 -2,-0.5 36,-0.1 -0.579 6.4 160.8-135.0 81.7 0.2 -8.4 7.6 15 15 A S T 3 + 0 0 65 1,-0.2 33,-0.1 33,-0.2 -1,-0.1 0.582 62.5 78.3 -76.4 -4.6 -1.6 -5.2 6.5 16 16 A S T 3 S+ 0 0 98 -3,-0.1 2,-0.3 33,-0.1 -1,-0.2 0.546 95.0 41.5 -85.7 -10.9 -4.9 -7.1 6.2 17 17 A T < - 0 0 40 -3,-1.0 -3,-0.1 32,-0.1 3,-0.1 -0.979 68.5-139.3-135.6 149.9 -5.8 -7.2 9.9 18 18 A S S S- 0 0 60 -2,-0.3 2,-0.3 1,-0.2 30,-0.2 0.665 88.8 -16.0 -80.9 -18.7 -5.4 -4.5 12.7 19 19 A A S S- 0 0 27 28,-0.1 -1,-0.2 61,-0.0 63,-0.1 -0.954 102.0 -50.3-170.8 170.9 -4.2 -7.2 15.2 20 20 A A - 0 0 10 -2,-0.3 3,-0.1 61,-0.2 81,-0.1 -0.361 46.9-147.3 -59.9 130.5 -4.2 -11.0 15.5 21 21 A S - 0 0 86 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.659 68.9 -14.6 -76.3 -17.8 -7.7 -12.3 14.9 22 22 A S S > S- 0 0 53 1,-0.0 3,-1.5 0, 0.0 4,-0.3 -0.978 77.1 -84.8-171.3 174.3 -7.6 -15.3 17.3 23 23 A S T 3 S+ 0 0 95 -2,-0.3 76,-0.4 1,-0.3 4,-0.2 0.552 125.1 57.1 -75.9 -5.7 -5.2 -17.5 19.3 24 24 A N T 3> S+ 0 0 82 1,-0.1 4,-2.2 2,-0.1 -1,-0.3 0.255 75.1 103.4-101.7 12.4 -4.7 -19.6 16.2 25 25 A Y H <> S+ 0 0 5 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.948 81.9 45.2 -64.4 -45.1 -3.5 -16.6 14.1 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-3.0 2,-0.2 5,-0.4 0.925 110.5 52.9 -68.9 -43.4 0.2 -17.7 14.3 27 27 A N H > S+ 0 0 49 70,-0.3 4,-1.2 -4,-0.2 -1,-0.2 0.940 116.1 42.1 -53.4 -45.0 -0.5 -21.4 13.5 28 28 A Q H X S+ 0 0 105 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.888 119.0 42.5 -68.7 -43.7 -2.4 -20.2 10.4 29 29 A M H X S+ 0 0 20 -4,-2.6 4,-2.1 2,-0.2 6,-0.3 0.863 108.2 55.9 -79.8 -38.4 0.1 -17.5 9.3 30 30 A M H <>S+ 0 0 1 -4,-3.0 5,-2.4 -5,-0.2 6,-0.4 0.918 115.0 43.0 -62.2 -38.3 3.3 -19.4 9.9 31 31 A K H ><5S+ 0 0 151 -4,-1.2 3,-1.8 -5,-0.4 5,-0.3 0.963 115.0 46.1 -66.7 -55.3 1.9 -22.0 7.6 32 32 A S H 3<5S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.752 111.8 51.2 -69.3 -24.3 0.4 -19.7 4.8 33 33 A R T 3<5S- 0 0 60 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.287 114.9-118.0 -91.9 11.3 3.5 -17.5 4.6 34 34 A N T X 5S+ 0 0 97 -3,-1.8 3,-0.6 1,-0.1 -3,-0.2 0.815 70.9 137.0 61.9 37.8 5.7 -20.7 4.2 35 35 A L T 3 - 0 0 50 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.316 38.2-119.5 -65.9 152.8 0.4 -0.6 6.0 51 51 A L H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 114.9 55.5 -60.4 -38.4 3.4 -1.4 3.9 52 52 A A H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 105.9 50.4 -64.0 -38.6 4.0 2.4 3.4 53 53 A D H > S+ 0 0 63 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.892 114.4 44.2 -68.1 -38.9 4.1 3.1 7.2 54 54 A V H >< S+ 0 0 0 -4,-1.9 3,-1.3 2,-0.2 4,-0.5 0.927 113.0 50.3 -72.7 -42.4 6.6 0.2 7.7 55 55 A Q H >< S+ 0 0 66 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.900 102.4 62.9 -61.1 -37.6 8.8 1.3 4.8 56 56 A A H >< S+ 0 0 39 -4,-2.1 3,-2.3 1,-0.2 -1,-0.3 0.766 85.3 76.5 -55.3 -24.8 8.7 4.9 6.2 57 57 A V G X< S+ 0 0 0 -3,-1.3 3,-2.3 -4,-0.5 -1,-0.2 0.869 80.2 69.1 -60.7 -28.5 10.6 3.6 9.2 58 58 A c G < S+ 0 0 6 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.601 101.2 47.5 -68.5 -7.7 13.8 3.5 7.1 59 59 A S G < S+ 0 0 85 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.263 102.3 79.4-107.8 5.1 13.7 7.4 7.2 60 60 A Q S < S- 0 0 49 -3,-2.3 2,-0.3 1,-0.2 15,-0.1 0.128 98.4 -21.8 -98.7-148.0 13.0 7.7 10.9 61 61 A K E -D 74 0B 98 13,-0.9 13,-2.3 1,-0.1 2,-0.4 -0.432 60.5-136.1 -72.3 128.1 15.6 7.4 13.8 62 62 A N E +D 73 0B 7 -2,-0.3 2,-0.3 11,-0.2 11,-0.3 -0.603 37.6 163.6 -78.3 124.1 18.8 5.5 13.0 63 63 A V E -D 72 0B 20 9,-2.5 9,-1.2 -2,-0.4 2,-0.2 -0.881 41.0 -84.4-135.0 173.9 19.7 3.1 15.9 64 64 A A - 0 0 56 -2,-0.3 6,-0.2 7,-0.1 5,-0.1 -0.557 41.8-125.8 -78.9 138.6 21.9 0.1 16.7 65 65 A d > - 0 0 9 4,-3.8 3,-1.9 -2,-0.2 -1,-0.1 -0.364 33.6 -97.7 -69.0 165.8 20.6 -3.3 15.8 66 66 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.869 127.8 48.9 -52.8 -39.0 20.5 -6.1 18.5 67 67 A N T 3 S- 0 0 109 1,-0.0 -1,-0.3 2,-0.0 3,-0.1 0.455 126.1 -99.9 -87.2 1.4 23.8 -7.4 17.1 68 68 A G S < S+ 0 0 45 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.0 0.291 76.6 140.4 100.2 -9.6 25.5 -3.9 17.1 69 69 A Q - 0 0 41 -5,-0.1 -4,-3.8 1,-0.1 -1,-0.3 -0.281 44.7-146.0 -59.0 157.9 25.0 -3.2 13.3 70 70 A T S S+ 0 0 13 -6,-0.2 88,-0.3 1,-0.2 87,-0.3 0.329 75.5 87.5-123.2 7.6 24.1 0.4 12.7 71 71 A N + 0 0 0 -9,-0.1 39,-2.0 86,-0.1 2,-0.3 -0.109 66.7 116.6 -94.1 35.7 21.8 0.3 9.6 72 72 A d E -DE 63 109B 0 -9,-1.2 -9,-2.5 37,-0.2 2,-0.4 -0.735 48.0-159.5-102.1 158.1 18.7 -0.2 11.9 73 73 A Y E -DE 62 108B 5 35,-2.2 35,-2.1 -11,-0.3 2,-0.4 -0.994 7.8-142.9-140.1 136.7 15.8 2.3 12.3 74 74 A Q E -DE 61 107B 54 -13,-2.3 -13,-0.9 -2,-0.4 33,-0.2 -0.863 27.0-111.4-105.7 136.6 13.3 2.6 15.1 75 75 A S - 0 0 3 31,-2.7 4,-0.1 -2,-0.4 -21,-0.1 -0.381 12.0-143.1 -68.4 137.9 9.6 3.5 14.4 76 76 A Y S S+ 0 0 103 -2,-0.1 2,-0.3 29,-0.1 -1,-0.1 0.915 88.4 44.5 -61.7 -44.7 8.4 7.0 15.6 77 77 A S S S- 0 0 18 27,-0.1 29,-0.4 1,-0.1 2,-0.2 -0.684 94.5-107.4 -98.0 157.3 5.0 5.5 16.5 78 78 A T - 0 0 30 -2,-0.3 2,-0.3 27,-0.2 27,-0.3 -0.513 40.6-151.5 -73.4 150.8 4.3 2.2 18.3 79 79 A M E - C 0 104A 11 25,-2.5 25,-1.8 -2,-0.2 2,-0.5 -0.903 18.5-105.5-126.9 150.8 2.9 -0.3 15.9 80 80 A S E + C 0 103A 10 -32,-0.4 -32,-2.8 -2,-0.3 2,-0.3 -0.670 50.4 169.5 -74.5 124.8 0.5 -3.3 16.4 81 81 A I E -BC 47 102A 1 21,-2.4 21,-2.6 -2,-0.5 2,-0.4 -0.951 29.2-145.9-134.5 159.8 2.5 -6.5 16.2 82 82 A T E -BC 46 101A 0 -36,-2.3 -36,-2.4 -2,-0.3 2,-0.5 -0.989 12.9-151.9-124.3 129.4 2.0 -10.2 16.8 83 83 A D E -BC 45 100A 43 17,-2.5 17,-1.7 -2,-0.4 2,-0.5 -0.880 8.3-160.5-101.1 129.1 4.8 -12.4 18.2 84 84 A a E -BC 44 99A 2 -40,-3.5 -40,-2.0 -2,-0.5 2,-0.4 -0.926 10.2-178.8-109.5 122.1 4.7 -16.0 17.2 85 85 A R E -BC 43 98A 156 13,-1.7 13,-2.8 -2,-0.5 -42,-0.2 -0.984 31.7-114.7-123.2 134.8 6.7 -18.5 19.4 86 86 A E E - 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