==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-OCT-01 1GOY . COMPND 2 MOLECULE: RIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS INTERMEDIUS; . AUTHOR K.M.POLYAKOV,A.A.LEBEDEV,A.G.PAVLOVSKY,R.G.SANISHVILI, . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 50.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 V 0 0 139 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-174.3 15.5 42.8 -10.1 2 3 A I + 0 0 67 1,-0.1 19,-0.2 5,-0.1 0, 0.0 -0.857 360.0 124.5-103.4 97.8 18.0 45.0 -8.0 3 4 A N + 0 0 27 -2,-0.8 72,-2.8 71,-0.0 2,-0.2 0.162 35.4 105.4-141.9 21.5 18.3 43.3 -4.6 4 5 A T S > S- 0 0 65 70,-0.2 4,-2.8 71,-0.1 5,-0.4 -0.677 79.0-107.9-101.0 160.2 22.0 42.4 -3.9 5 6 A F H > S+ 0 0 27 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.943 120.8 37.1 -48.7 -54.0 24.3 44.3 -1.4 6 7 A D H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 115.8 52.9 -69.1 -42.8 26.3 45.9 -4.3 7 8 A G H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 115.7 38.6 -62.0 -44.6 23.3 46.4 -6.6 8 9 A V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.887 114.8 55.1 -74.5 -37.4 21.2 48.3 -4.1 9 10 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.4 -2,-0.2 0.954 111.1 44.2 -60.6 -50.3 24.3 50.1 -2.7 10 11 A D H X S+ 0 0 56 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.850 112.4 51.5 -62.8 -35.8 25.3 51.5 -6.1 11 12 A Y H X>S+ 0 0 34 -4,-1.6 4,-3.4 -5,-0.2 5,-0.5 0.935 110.0 50.7 -67.8 -43.7 21.7 52.5 -7.0 12 13 A L H X5S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.948 111.9 46.3 -55.4 -49.6 21.4 54.4 -3.6 13 14 A I H <5S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.930 119.9 42.1 -60.2 -45.1 24.7 56.3 -4.3 14 15 A R H <5S+ 0 0 151 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.881 132.2 16.6 -70.7 -44.4 23.5 57.0 -7.9 15 16 A Y H <5S- 0 0 132 -4,-3.4 -3,-0.2 2,-0.3 -2,-0.2 0.580 88.3-130.3-110.2 -12.7 19.8 57.9 -7.3 16 17 A K S < - 0 0 5 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.146 46.8 -92.7 -60.0 167.0 15.1 50.9 -6.7 20 21 A N T 3 S+ 0 0 119 1,-0.3 -2,-0.0 27,-0.0 0, 0.0 0.514 117.7 71.1 -62.0 -12.4 11.4 50.4 -7.8 21 22 A D T 3 S+ 0 0 14 -19,-0.2 27,-2.2 26,-0.1 2,-0.3 0.435 80.9 94.9 -87.4 0.8 11.2 47.0 -6.2 22 23 A Y E < +a 48 0A 21 -3,-1.8 2,-0.3 25,-0.2 27,-0.2 -0.718 47.0 179.3 -97.8 141.4 11.2 48.3 -2.6 23 24 A I E -a 49 0A 18 25,-2.6 27,-1.5 -2,-0.3 29,-0.1 -0.998 26.2-120.2-138.2 141.3 8.2 49.1 -0.4 24 25 A T > - 0 0 51 -2,-0.3 4,-2.8 25,-0.2 5,-0.2 -0.163 36.5 -99.5 -70.1 170.4 8.0 50.4 3.2 25 26 A K H > S+ 0 0 70 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.906 123.6 48.9 -57.5 -47.2 6.3 48.5 6.0 26 27 A S H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 111.7 50.5 -64.7 -36.6 3.1 50.5 5.8 27 28 A Q H > S+ 0 0 95 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.941 112.9 46.4 -62.0 -48.8 3.0 50.0 2.0 28 29 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-0.4 0.905 112.9 49.7 -58.0 -46.1 3.5 46.3 2.5 29 30 A S H ><5S+ 0 0 68 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.900 107.1 55.0 -60.4 -42.6 0.8 46.2 5.2 30 31 A A H 3<5S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.783 106.7 52.8 -60.5 -30.8 -1.7 48.1 3.0 31 32 A L T 3<5S- 0 0 80 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.541 131.1 -89.5 -82.7 -5.9 -1.2 45.4 0.3 32 33 A G T < 5S+ 0 0 34 -3,-1.4 -3,-0.2 -4,-0.4 2,-0.1 0.369 74.7 147.2 112.9 -3.0 -2.0 42.5 2.7 33 34 A W < - 0 0 26 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.423 26.0-166.9 -68.8 134.9 1.4 41.6 4.2 34 35 A V >> - 0 0 62 -2,-0.1 3,-1.9 0, 0.0 4,-0.7 -0.997 27.7-113.3-127.6 125.8 1.3 40.4 7.8 35 36 A A T 34 S+ 0 0 68 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.450 104.7 18.3 -53.5 115.8 4.4 40.1 9.9 36 37 A S T 34 S+ 0 0 81 -2,-0.2 -1,-0.2 173,-0.1 44,-0.1 0.078 102.9 86.9 108.6 -18.9 4.9 36.3 10.6 37 38 A K T <4 S- 0 0 139 -3,-1.9 -2,-0.2 42,-0.1 43,-0.1 0.722 82.3-142.6 -79.9 -25.3 2.7 35.0 7.8 38 39 A G < + 0 0 6 -4,-0.7 41,-0.4 41,-0.1 3,-0.2 0.841 58.0 131.2 62.2 36.2 5.6 35.1 5.2 39 40 A D >> + 0 0 25 -5,-0.5 4,-2.0 1,-0.1 3,-1.7 0.378 21.2 112.0-100.7 -0.4 3.2 36.3 2.5 40 41 A L H 3> S+ 0 0 1 1,-0.3 4,-2.3 39,-0.3 7,-0.2 0.824 78.0 51.2 -41.8 -50.1 5.0 39.3 1.0 41 42 A A H 34 S+ 0 0 15 1,-0.2 -1,-0.3 38,-0.2 5,-0.1 0.719 111.7 48.2 -66.3 -24.8 5.8 37.6 -2.4 42 43 A E H <4 S+ 0 0 107 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.826 119.6 35.9 -86.2 -32.4 2.1 36.6 -2.8 43 44 A V H < S+ 0 0 49 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.730 135.5 22.9 -89.4 -20.3 0.6 40.0 -1.9 44 45 A A S >< S- 0 0 5 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 -0.623 87.1-152.3-145.1 66.1 3.4 42.1 -3.6 45 46 A P T 3 S+ 0 0 96 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.247 78.1 7.0 -52.3 130.9 5.1 39.9 -6.2 46 47 A G T 3 S+ 0 0 51 31,-0.3 2,-0.2 1,-0.2 -5,-0.1 0.554 103.5 125.1 76.3 10.1 8.7 40.8 -6.9 47 48 A K < - 0 0 77 -3,-1.8 2,-0.3 -7,-0.2 -1,-0.2 -0.680 41.4-162.3-104.0 156.0 8.8 43.3 -4.0 48 49 A S E -a 22 0A 3 -27,-2.2 -25,-2.6 -2,-0.2 2,-0.3 -0.968 25.8-110.8-130.4 152.8 11.1 43.7 -1.0 49 50 A I E +a 23 0A 0 -2,-0.3 24,-3.1 -27,-0.2 2,-0.3 -0.663 57.8 123.2 -83.8 136.1 10.7 45.6 2.2 50 51 A G E +B 72 0B 2 -27,-1.5 22,-0.3 -2,-0.3 -2,-0.1 -0.891 29.8 70.5 179.6 157.6 13.0 48.7 2.7 51 52 A G E + 0 0 11 20,-3.3 21,-0.1 1,-0.4 -27,-0.1 0.135 65.3 127.0 110.7 -11.1 13.1 52.4 3.3 52 53 A D E - 0 0 39 19,-0.5 19,-2.1 -29,-0.1 -1,-0.4 -0.353 67.9 -83.1 -76.4 161.7 12.0 52.5 7.0 53 54 A V E -B 70 0B 98 17,-0.2 2,-0.6 -2,-0.1 17,-0.3 -0.311 31.4-156.7 -67.3 130.5 13.9 54.2 9.8 54 55 A F E -B 69 0B 25 15,-2.8 15,-0.7 34,-0.2 -1,-0.1 -0.965 4.3-163.0-107.1 117.8 16.7 52.4 11.5 55 56 A S - 0 0 80 -2,-0.6 -1,-0.1 13,-0.1 4,-0.1 0.671 15.8-144.3 -72.8 -25.4 17.2 53.8 15.0 56 57 A N > + 0 0 21 1,-0.1 3,-1.2 2,-0.1 5,-0.2 0.895 36.3 162.9 56.9 44.1 20.7 52.5 15.9 57 58 A R T 3 S+ 0 0 208 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.807 70.7 53.4 -61.0 -36.4 19.6 52.1 19.6 58 59 A E T 3 S- 0 0 99 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.484 105.1-130.5 -81.2 -5.8 22.6 49.8 20.3 59 60 A G < + 0 0 48 -3,-1.2 4,-0.1 1,-0.1 -2,-0.1 0.698 62.8 136.6 62.6 24.3 25.1 52.4 18.9 60 61 A R + 0 0 127 41,-0.1 44,-0.1 2,-0.1 -1,-0.1 0.521 60.5 60.3 -76.7 -10.4 26.9 49.9 16.6 61 62 A L S S- 0 0 4 -5,-0.2 2,-0.1 34,-0.0 34,-0.0 -0.861 103.8 -91.4-116.5 153.9 27.0 52.3 13.8 62 63 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.441 43.1-148.2 -65.6 136.9 28.8 55.7 14.0 63 64 A S + 0 0 100 -4,-0.1 2,-0.3 -2,-0.1 5,-0.1 -0.790 18.8 175.3-106.0 152.5 26.5 58.6 15.1 64 65 A A > - 0 0 42 3,-0.3 3,-3.9 -2,-0.3 0, 0.0 -0.901 44.1 -88.5-156.1 128.7 26.7 62.3 14.1 65 66 A G T 3 S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.022 118.9 13.0 -34.5 120.1 24.4 65.3 14.8 66 67 A S T 3 S+ 0 0 77 1,-0.2 2,-0.5 24,-0.0 -1,-0.3 0.221 97.3 129.5 87.5 -12.8 21.8 65.3 12.1 67 68 A R < + 0 0 55 -3,-3.9 -3,-0.3 23,-0.1 2,-0.3 -0.674 30.2 174.8 -83.1 123.0 22.6 61.7 10.9 68 69 A T - 0 0 88 -2,-0.5 22,-2.1 -3,-0.1 2,-0.3 -0.772 16.4-140.3-117.4 164.4 19.7 59.3 10.5 69 70 A W E -BC 54 89B 9 -15,-0.7 -15,-2.8 -2,-0.3 2,-0.3 -0.934 11.3-170.5-129.4 149.2 19.6 55.7 9.1 70 71 A R E -BC 53 88B 120 18,-2.3 18,-2.5 -2,-0.3 2,-0.3 -0.886 13.5-146.1-129.9 159.9 17.3 53.7 7.0 71 72 A E E - C 0 87B 4 -19,-2.1 -20,-3.3 -2,-0.3 -19,-0.5 -0.887 9.9-169.0-129.2 160.9 17.3 50.0 6.2 72 73 A A E -BC 50 86B 0 14,-1.9 14,-2.3 -2,-0.3 -22,-0.3 -0.981 28.3-112.0-149.1 140.1 16.4 47.6 3.4 73 74 A D E - C 0 85B 0 -24,-3.1 2,-0.3 -2,-0.3 12,-0.3 -0.470 33.4-151.1 -68.3 140.3 16.0 43.8 3.0 74 75 A I + 0 0 0 10,-2.7 10,-0.4 -2,-0.2 8,-0.2 -0.899 66.5 3.0-118.4 146.3 18.6 42.2 0.9 75 76 A N S S+ 0 0 70 -72,-2.8 2,-0.2 -2,-0.3 -1,-0.1 0.657 81.8 156.9 55.3 23.5 18.4 39.0 -1.3 76 77 A Y + 0 0 6 -73,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.587 9.0 153.6 -72.5 143.1 14.7 38.5 -0.5 77 78 A V - 0 0 114 1,-0.4 -31,-0.3 -2,-0.2 2,-0.3 0.485 61.4 -36.3-130.9 -61.7 12.7 36.4 -3.1 78 79 A S S S+ 0 0 31 2,-0.2 -1,-0.4 -33,-0.1 2,-0.2 -0.973 95.2 33.4-160.3 170.8 9.7 34.8 -1.3 79 80 A G S S+ 0 0 2 -41,-0.4 -39,-0.3 -2,-0.3 -38,-0.2 -0.460 102.0 5.9 82.2-155.7 8.5 33.3 2.0 80 81 A F S S- 0 0 42 -2,-0.2 -2,-0.2 1,-0.1 130,-0.1 -0.371 86.3-102.9 -61.2 134.2 9.8 34.4 5.4 81 82 A R - 0 0 53 1,-0.1 -1,-0.1 -5,-0.1 2,-0.0 -0.284 37.7-137.2 -57.5 146.0 12.1 37.4 5.4 82 83 A N - 0 0 14 -8,-0.2 130,-0.2 2,-0.2 129,-0.1 -0.065 22.7-101.5 -91.4-163.7 15.8 36.6 5.9 83 84 A A S S+ 0 0 4 128,-0.5 17,-2.3 15,-0.2 2,-0.5 0.265 79.5 114.4-109.0 16.3 18.4 38.3 8.0 84 85 A D + 0 0 32 -10,-0.4 -10,-2.7 15,-0.2 2,-0.3 -0.756 37.6 164.5 -93.1 122.6 20.2 40.3 5.3 85 86 A R E -CD 73 97B 5 12,-2.5 12,-2.3 -2,-0.5 2,-0.5 -0.991 32.5-148.0-140.3 145.0 20.0 44.1 5.5 86 87 A L E -CD 72 96B 0 -14,-2.3 -14,-1.9 -2,-0.3 2,-0.4 -0.924 19.3-162.9-101.3 131.5 21.7 47.1 4.0 87 88 A V E -CD 71 95B 0 8,-3.3 8,-3.1 -2,-0.5 2,-0.4 -0.988 12.1-176.2-118.0 129.4 21.7 50.0 6.5 88 89 A Y E -CD 70 94B 14 -18,-2.5 -18,-2.3 -2,-0.4 6,-0.2 -0.986 13.2-138.7-136.1 139.1 22.4 53.5 4.9 89 90 A S E > -C 69 0B 3 4,-2.3 3,-1.9 -2,-0.4 -20,-0.2 -0.469 28.4-109.7 -95.2 163.0 22.8 56.9 6.4 90 91 A S T 3 S+ 0 0 55 -22,-2.1 -21,-0.1 1,-0.3 -1,-0.1 0.705 124.1 51.0 -59.2 -27.3 21.6 60.5 5.4 91 92 A D T 3 S- 0 0 79 -23,-0.3 -1,-0.3 2,-0.1 -24,-0.0 0.095 125.0-106.4 -96.8 18.7 25.3 61.2 4.6 92 93 A W < + 0 0 71 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.699 65.1 151.0 64.7 28.2 25.4 58.0 2.4 93 94 A L - 0 0 25 14,-0.0 -4,-2.3 15,-0.0 2,-0.4 -0.684 31.0-157.5 -76.5 141.7 27.6 55.7 4.6 94 95 A I E +D 88 0B 0 -2,-0.3 13,-3.2 -6,-0.2 14,-1.7 -0.983 15.1 178.5-133.9 123.6 26.4 52.1 3.7 95 96 A Y E -DE 87 106B 35 -8,-3.1 -8,-3.3 -2,-0.4 2,-0.3 -0.885 14.1-148.2-120.6 148.3 26.8 49.1 5.9 96 97 A K E -DE 86 105B 71 9,-3.1 9,-2.5 -2,-0.3 2,-0.3 -0.862 9.9-171.1-112.9 149.5 25.7 45.5 5.4 97 98 A T E -D 85 0B 2 -12,-2.3 -12,-2.5 -2,-0.3 3,-0.2 -0.986 15.5-177.1-137.0 133.9 24.6 43.0 8.0 98 99 A T S S+ 0 0 82 -2,-0.3 -15,-0.2 5,-0.3 -14,-0.1 0.222 83.7 56.0-111.4 15.3 23.9 39.3 7.5 99 100 A D S > S- 0 0 54 4,-0.5 3,-0.8 -14,-0.1 -15,-0.2 -0.141 119.8 -91.1-137.8 35.8 22.8 38.6 11.1 100 101 A H T 3 S- 0 0 88 -17,-2.3 -16,-0.1 1,-0.2 -2,-0.1 0.913 89.2 -43.8 55.6 56.8 19.9 41.1 11.5 101 102 A Y T 3 S+ 0 0 30 2,-0.3 -1,-0.2 -18,-0.3 3,-0.1 0.622 108.7 114.6 69.1 14.2 21.9 44.0 13.0 102 103 A A S < S+ 0 0 50 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.940 89.6 9.5 -70.8 -51.6 24.1 41.9 15.4 103 104 A T S S- 0 0 86 2,-0.0 -4,-0.5 0, 0.0 -5,-0.3 -0.965 71.7-155.5-131.1 149.0 27.2 42.9 13.3 104 105 A F - 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