==== 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 3EV4 . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.DECHENE,G.WINK,M.SMITH,P.SWARTZ,C.MATTOS . 242 5 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 61.2 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 28.1 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 . 16 6.6 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 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 1 A K 0 0 236 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-104.7 -88.5 17.3 27.4 2 2 A E - 0 0 73 3,-0.0 2,-0.0 0, 0.0 0, 0.0 -0.970 360.0 -95.7-152.1 162.9 -85.5 15.5 25.9 3 3 A T > - 0 0 97 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.281 37.2-109.8 -77.1 166.0 -84.1 14.4 22.5 4 4 A A H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.884 122.3 50.5 -62.8 -37.6 -84.5 10.9 21.0 5 5 A A H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 110.3 48.8 -66.7 -42.8 -80.8 10.3 21.7 6 6 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.883 109.8 52.3 -64.1 -39.3 -81.1 11.5 25.3 7 7 A K H X S+ 0 0 89 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.883 106.9 53.0 -64.9 -38.9 -84.2 9.2 25.7 8 8 A F H X>S+ 0 0 4 -4,-1.9 4,-3.0 106,-0.2 5,-0.5 0.935 110.1 47.7 -62.0 -46.0 -82.2 6.2 24.4 9 9 A E H X5S+ 0 0 78 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.921 113.8 47.2 -61.5 -43.4 -79.4 6.9 27.0 10 10 A R H <5S+ 0 0 54 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.918 119.9 38.8 -64.7 -42.9 -82.0 7.2 29.8 11 11 A Q H <5S+ 0 0 34 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.810 132.9 15.8 -79.6 -31.2 -83.8 4.1 28.8 12 12 A H H <5S+ 0 0 11 -4,-3.0 32,-3.5 -5,-0.2 2,-0.4 0.581 96.9 92.1-124.6 -10.3 -81.0 1.8 27.8 13 13 A M B << +a 44 0A 13 -4,-1.8 32,-0.2 -5,-0.5 34,-0.1 -0.778 26.0 150.5 -97.5 132.6 -77.6 2.9 29.0 14 14 A D + 0 0 8 30,-2.7 33,-0.1 -2,-0.4 -1,-0.1 -0.478 3.8 158.6-153.0 70.0 -76.0 1.8 32.3 15 15 A S S S+ 0 0 59 1,-0.1 30,-0.1 2,-0.0 32,-0.1 0.706 74.2 57.1 -68.2 -21.2 -72.2 1.9 31.8 16 16 A S 0 0 117 1,-0.2 -1,-0.1 30,-0.1 -2,-0.1 0.992 360.0 360.0 -73.1 -75.0 -71.8 2.1 35.6 17 17 A T 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.474 360.0 360.0 -78.6 360.0 -73.6 -0.9 37.1 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 22 A S > 0 0 107 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-178.4 -78.5 -7.9 41.6 20 23 A S T 3 + 0 0 110 1,-0.2 76,-0.3 2,-0.1 4,-0.2 0.547 360.0 49.2 -77.5 -8.8 -81.9 -9.6 41.6 21 24 A N T 3> S+ 0 0 73 2,-0.1 4,-1.9 1,-0.1 -1,-0.2 0.385 82.0 103.1-108.2 0.6 -83.4 -6.2 42.6 22 25 A Y H <> S+ 0 0 13 -3,-0.7 4,-3.2 1,-0.2 5,-0.2 0.901 81.5 43.8 -48.8 -56.5 -81.6 -4.3 39.8 23 26 A a H > S+ 0 0 0 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.874 109.3 56.8 -61.9 -39.5 -84.6 -4.0 37.4 24 27 A N H > S+ 0 0 50 70,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.897 117.3 35.4 -59.3 -39.9 -87.0 -3.0 40.1 25 28 A Q H X S+ 0 0 104 -4,-1.9 4,-3.0 -3,-0.2 3,-0.3 0.925 119.5 47.5 -79.6 -48.7 -84.8 -0.1 41.1 26 29 A M H X S+ 0 0 21 -4,-3.2 4,-2.6 -5,-0.2 6,-0.2 0.880 107.9 53.8 -62.3 -43.9 -83.5 0.9 37.6 27 30 A M H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 6,-0.5 0.816 116.0 42.2 -61.6 -30.1 -86.9 0.8 35.9 28 31 A K H ><5S+ 0 0 154 -4,-0.5 3,-1.6 -5,-0.3 5,-0.2 0.915 113.1 51.3 -80.9 -46.4 -88.1 3.2 38.6 29 32 A S H 3<5S+ 0 0 84 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.869 110.7 47.8 -58.3 -43.2 -84.9 5.4 38.7 30 33 A R T 3<5S- 0 0 58 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 0.290 116.1-115.5 -83.8 10.0 -85.0 6.0 34.9 31 34 A N T X 5S+ 0 0 95 -3,-1.6 3,-0.6 -5,-0.1 4,-0.2 0.819 73.7 134.8 59.6 38.8 -88.7 6.8 35.1 32 35 A L T 3 - 0 0 49 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.268 36.1-115.3 -67.9 157.7 -69.5 2.5 27.3 48 51 A L H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.881 117.2 55.3 -60.5 -37.7 -71.5 5.1 25.5 49 52 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 106.5 49.5 -61.2 -46.1 -68.7 5.2 22.8 50 53 A D H 4 S+ 0 0 68 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.877 114.7 44.3 -61.6 -40.6 -69.0 1.4 22.2 51 54 A V H >< S+ 0 0 0 -4,-1.9 3,-1.2 2,-0.2 4,-0.4 0.910 112.6 50.4 -72.0 -43.2 -72.8 1.6 21.8 52 55 A Q H >< S+ 0 0 73 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.858 102.6 63.9 -62.3 -31.8 -72.7 4.7 19.6 53 56 A A G >< S+ 0 0 26 -4,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.733 83.8 75.8 -63.6 -23.5 -70.2 2.9 17.5 54 57 A V G X S+ 0 0 0 -3,-1.2 3,-2.3 -4,-0.5 -1,-0.3 0.800 77.7 75.4 -61.0 -24.8 -72.8 0.3 16.6 55 58 A c G < S+ 0 0 8 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.616 100.0 42.7 -63.9 -12.1 -74.4 2.8 14.2 56 59 A S G < S+ 0 0 18 -3,-1.9 -1,-0.3 -4,-0.1 81,-0.2 0.166 105.1 81.0-117.8 18.8 -71.5 2.1 11.8 57 60 A Q S < S- 0 0 10 -3,-2.3 2,-0.7 1,-0.2 15,-0.2 0.239 94.1 -10.9 -98.9-139.7 -71.5 -1.7 12.2 58 61 A K E -D 71 0B 86 13,-1.6 13,-3.0 1,-0.1 2,-0.3 -0.476 63.6-142.5 -71.5 110.8 -73.8 -4.4 10.7 59 62 A N E +D 70 0B 76 -2,-0.7 2,-0.3 11,-0.2 11,-0.3 -0.511 32.5 163.9 -72.5 122.8 -76.8 -2.9 8.9 60 63 A V E -D 69 0B 28 9,-2.8 9,-1.1 -2,-0.3 2,-0.1 -0.937 42.4 -88.5-137.1 159.9 -79.9 -5.0 9.4 61 64 A A - 0 0 78 -2,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.437 42.8-122.8 -70.2 140.0 -83.6 -4.6 8.9 62 65 A d > - 0 0 10 4,-3.3 3,-2.1 -2,-0.1 -1,-0.1 -0.484 25.1-109.1 -77.6 157.7 -85.5 -3.2 11.9 63 66 A K T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.813 120.6 52.1 -56.9 -31.5 -88.4 -5.2 13.4 64 67 A N T 3 S- 0 0 110 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.445 124.6-101.3 -86.1 -0.3 -90.9 -2.6 12.0 65 68 A G S < S+ 0 0 56 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.0 0.296 79.2 131.3 102.1 -14.6 -89.4 -2.9 8.5 66 69 A Q - 0 0 105 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.320 54.9-136.4 -68.9 160.3 -87.3 0.3 8.5 67 70 A T S S+ 0 0 109 -6,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.357 78.3 92.9-102.9 6.2 -83.7 -0.1 7.3 68 71 A N + 0 0 21 -9,-0.1 39,-2.4 2,-0.0 2,-0.3 -0.106 57.1 115.8 -94.5 37.4 -81.8 2.0 9.8 69 72 A d E -DE 60 106B 0 -9,-1.1 -9,-2.8 37,-0.2 2,-0.4 -0.798 43.3-164.0-106.6 148.6 -81.0 -0.8 12.3 70 73 A Y E -DE 59 105B 33 35,-2.8 35,-2.3 -2,-0.3 2,-0.4 -0.997 8.3-148.1-136.0 138.3 -77.5 -2.0 13.2 71 74 A Q E -DE 58 104B 47 -13,-3.0 -13,-1.6 -2,-0.4 33,-0.2 -0.869 26.9-113.7-106.8 135.9 -76.2 -5.1 14.9 72 75 A S - 0 0 1 31,-2.3 4,-0.1 -2,-0.4 -18,-0.0 -0.403 13.3-140.8 -68.0 138.7 -73.0 -5.1 17.1 73 76 A Y S S+ 0 0 24 81,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.831 88.0 40.6 -68.8 -31.8 -70.1 -7.2 15.7 74 77 A S S S- 0 0 39 80,-0.1 29,-0.4 27,-0.1 27,-0.1 -0.772 97.1 -96.9-116.0 159.3 -69.3 -8.4 19.2 75 78 A T - 0 0 72 -2,-0.3 2,-0.3 27,-0.1 27,-0.3 -0.377 38.5-150.2 -70.1 153.6 -71.5 -9.4 22.1 76 79 A M E - C 0 101A 8 25,-3.0 25,-1.8 -4,-0.1 2,-0.5 -0.961 20.7-108.1-128.8 147.7 -72.3 -6.9 24.8 77 80 A S E + C 0 100A 30 -2,-0.3 -32,-2.8 23,-0.2 -31,-0.3 -0.631 53.3 164.4 -74.2 119.2 -73.0 -7.2 28.5 78 81 A I E -BC 44 99A 3 21,-3.0 21,-2.5 -2,-0.5 2,-0.4 -0.915 33.2-142.9-136.3 162.9 -76.7 -6.4 28.9 79 82 A T E -BC 43 98A 6 -36,-2.4 -36,-2.7 -2,-0.3 2,-0.4 -0.997 15.4-150.9-129.4 124.9 -79.5 -6.8 31.5 80 83 A D E -BC 42 97A 26 17,-3.1 17,-1.9 -2,-0.4 2,-0.5 -0.827 6.1-157.7 -98.9 132.3 -83.0 -7.7 30.4 81 84 A a E -BC 41 96A 0 -40,-3.5 -40,-2.0 -2,-0.4 2,-0.4 -0.952 12.7-179.9-112.2 125.6 -86.0 -6.5 32.5 82 85 A R E -BC 40 95A 118 13,-1.6 13,-2.8 -2,-0.5 -42,-0.2 -0.987 28.1-119.5-131.7 124.8 -89.3 -8.3 32.2 83 86 A E E - C 0 94A 67 -44,-2.5 11,-0.3 -2,-0.4 9,-0.0 -0.347 29.3-138.2 -63.0 133.3 -92.5 -7.5 34.1 84 87 A T - 0 0 51 9,-2.2 9,-0.1 -2,-0.1 -1,-0.1 -0.087 19.0-112.5 -80.6-176.8 -93.8 -10.3 36.4 85 88 A G S S+ 0 0 71 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.865 116.3 55.0 -85.4 -40.3 -97.4 -11.4 36.8 86 89 A S S S+ 0 0 104 2,-0.0 -1,-0.1 6,-0.0 2,-0.1 0.687 84.7 114.9 -64.5 -19.9 -97.7 -10.2 40.4 87 90 A S + 0 0 8 6,-0.2 2,-0.4 5,-0.1 5,-0.2 -0.347 40.2 171.6 -58.3 123.5 -96.6 -6.8 39.1 88 91 A K B > -G 91 0C 156 3,-1.9 3,-2.4 -2,-0.1 -2,-0.0 -0.943 36.4 -81.4-141.8 115.6 -99.3 -4.2 39.6 89 92 A Y T 3 S+ 0 0 121 1,-0.4 -54,-0.0 -2,-0.4 -53,-0.0 -0.207 115.3 25.0 -54.2 141.4 -98.8 -0.5 38.9 90 93 A P T 3 S+ 0 0 96 0, 0.0 2,-1.0 0, 0.0 -1,-0.4 -0.959 126.2 57.3 -79.2 8.2 -97.7 1.6 40.7 91 94 A N B < S-G 88 0C 131 -3,-2.4 -3,-1.9 2,-0.0 2,-0.4 -0.642 77.2-176.0 -99.7 74.1 -95.8 -1.4 42.2 92 95 A b - 0 0 19 -2,-1.0 2,-0.4 -5,-0.2 -64,-0.1 -0.598 7.6-159.2 -76.5 122.9 -94.1 -2.7 39.1 93 96 A A - 0 0 25 -2,-0.4 -9,-2.2 -9,-0.1 2,-0.3 -0.874 10.2-168.2-105.3 135.5 -92.2 -5.9 39.6 94 97 A Y E -C 83 0A 10 -2,-0.4 2,-0.6 -11,-0.3 -70,-0.3 -0.926 21.7-133.8-129.0 150.6 -89.5 -7.0 37.3 95 98 A K E -C 82 0A 117 -13,-2.8 -13,-1.6 -2,-0.3 2,-0.5 -0.875 25.5-145.9-100.4 120.3 -87.4 -10.1 36.5 96 99 A T E +C 81 0A 38 -2,-0.6 2,-0.4 -76,-0.3 -15,-0.2 -0.794 20.1 177.3 -92.4 126.8 -83.7 -9.3 36.2 97 100 A T E -C 80 0A 68 -17,-1.9 -17,-3.1 -2,-0.5 2,-0.3 -0.965 14.5-154.8-134.4 116.8 -81.6 -11.3 33.7 98 101 A Q E +C 79 0A 99 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.670 28.1 153.5 -87.6 142.4 -78.0 -10.8 32.9 99 102 A A E -C 78 0A 24 -21,-2.5 -21,-3.0 -2,-0.3 2,-0.5 -0.980 42.4-128.0-161.2 166.8 -76.6 -11.9 29.5 100 103 A N E +C 77 0A 103 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.932 49.4 138.6-126.6 102.2 -74.0 -11.3 26.8 101 104 A K E -C 76 0A 91 -25,-1.8 -25,-3.0 -2,-0.5 2,-0.2 -0.891 56.6 -91.5-139.3 167.9 -75.6 -10.9 23.4 102 105 A H - 0 0 52 19,-2.8 19,-2.6 -2,-0.3 2,-0.3 -0.583 44.6-140.5 -77.9 144.4 -75.3 -8.8 20.2 103 106 A I E - F 0 120B 0 -29,-0.4 -31,-2.3 17,-0.2 2,-0.5 -0.800 8.5-153.6-109.5 152.1 -77.5 -5.7 20.3 104 107 A I E +EF 71 119B 16 15,-2.7 14,-2.2 -2,-0.3 15,-1.7 -0.993 20.8 172.7-125.2 120.3 -79.5 -4.2 17.5 105 108 A V E -EF 70 117B 0 -35,-2.3 -35,-2.8 -2,-0.5 2,-0.4 -0.931 29.3-127.0-127.6 152.6 -80.3 -0.5 17.6 106 109 A A E -EF 69 116B 6 10,-2.5 9,-2.9 -2,-0.3 10,-1.2 -0.834 28.2-157.7 -97.0 137.0 -81.9 2.0 15.2 107 110 A c E + F 0 114B 0 -39,-2.4 2,-0.3 -2,-0.4 5,-0.1 -0.887 17.5 161.2-120.0 148.8 -79.9 5.1 14.5 108 111 A E E > + F 0 113B 108 5,-2.1 5,-2.0 -2,-0.3 -53,-0.0 -0.974 30.9 33.7-155.7 164.8 -80.9 8.5 13.2 109 112 A G T 5S- 0 0 56 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.169 83.7 -47.0 85.7-178.5 -79.7 12.1 12.9 110 113 A N T 5S+ 0 0 169 1,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.919 134.5 40.2-137.7 105.4 -76.6 14.1 12.5 111 114 A P T 5S- 0 0 99 0, 0.0 2,-1.0 0, 0.0 -1,-0.3 0.449 110.2-128.8 -62.1 147.0 -74.6 13.0 14.5 112 115 A Y T 5 + 0 0 96 26,-0.2 -3,-0.2 -2,-0.2 -57,-0.1 -0.649 48.6 157.3 -75.1 103.8 -75.9 9.5 13.5 113 116 A V E < -F 108 0B 24 -5,-2.0 -5,-2.1 -2,-1.0 2,-0.2 -0.840 47.5 -79.7-131.5 164.2 -76.7 8.0 16.9 114 117 A P E +F 107 0B 5 0, 0.0 -7,-0.3 0, 0.0 -106,-0.2 -0.424 44.4 161.1 -65.5 129.6 -78.8 5.3 18.6 115 118 A V E + 0 0 33 -9,-2.9 2,-0.3 1,-0.3 -8,-0.2 0.403 64.2 32.8-126.5 -2.5 -82.4 6.4 19.2 116 119 A H E -F 106 0B 86 -10,-1.2 -10,-2.5 -109,-0.0 2,-0.8 -0.962 64.6-137.8-159.0 132.8 -84.1 3.0 19.7 117 120 A F E +F 105 0B 22 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.848 27.3 175.6 -92.7 114.7 -83.2 -0.4 21.1 118 121 A D E - 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