==== 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 1GOV . 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) . 11112.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 52.3 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 . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 15.3 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 0 2 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 0 137 0, 0.0 2,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 134.3 15.3 43.0 -10.2 2 3 A I + 0 0 67 1,-0.1 19,-0.2 5,-0.1 3,-0.0 -0.885 360.0 126.3-105.9 104.1 17.9 44.8 -8.1 3 4 A N + 0 0 25 -2,-0.7 72,-2.8 71,-0.0 2,-0.2 0.103 37.0 108.1-146.8 20.2 18.2 43.2 -4.6 4 5 A T S > S- 0 0 70 70,-0.2 4,-2.8 71,-0.1 5,-0.4 -0.690 77.5-109.0-101.0 162.3 21.8 42.4 -4.1 5 6 A F H > S+ 0 0 30 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.915 118.7 34.5 -50.3 -53.7 24.2 44.2 -1.7 6 7 A D H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.842 116.2 56.3 -72.4 -38.2 26.3 45.9 -4.5 7 8 A G H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.944 114.4 37.1 -62.6 -48.8 23.3 46.4 -6.8 8 9 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.889 114.7 55.6 -72.5 -40.1 21.3 48.3 -4.2 9 10 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.4 -2,-0.2 0.920 111.9 42.9 -58.7 -48.0 24.3 50.2 -2.7 10 11 A D H X S+ 0 0 83 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.873 112.8 52.4 -65.3 -38.9 25.3 51.6 -6.2 11 12 A Y H X S+ 0 0 41 -4,-1.8 4,-3.0 -5,-0.2 5,-0.4 0.935 109.1 50.7 -62.0 -44.8 21.7 52.4 -7.0 12 13 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.921 112.8 46.4 -56.7 -46.8 21.4 54.4 -3.7 13 14 A I H < S+ 0 0 64 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.890 117.1 42.5 -65.8 -44.4 24.5 56.3 -4.5 14 15 A R H < S+ 0 0 186 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.958 133.1 18.6 -65.3 -49.2 23.5 57.1 -8.1 15 16 A Y H < S- 0 0 100 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.516 89.3-130.2-104.4 -12.6 19.8 58.0 -7.5 16 17 A K S < S+ 0 0 108 -4,-2.7 2,-0.3 -5,-0.4 -4,-0.2 0.711 82.9 69.0 64.0 25.6 19.6 58.7 -3.7 17 18 A R S S- 0 0 103 -6,-0.4 -2,-0.3 -5,-0.1 -1,-0.2 -0.950 91.3 -87.7-158.1 166.0 16.6 56.4 -3.3 18 19 A L - 0 0 18 -2,-0.3 4,-0.0 1,-0.1 -10,-0.0 -0.465 51.7 -95.2 -76.5 153.0 15.9 52.6 -3.5 19 20 A P > - 0 0 6 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.148 46.1 -92.0 -64.0 165.8 15.0 50.9 -6.8 20 21 A N T 3 S+ 0 0 120 1,-0.3 -2,-0.0 27,-0.0 0, 0.0 0.502 116.9 71.5 -57.9 -14.6 11.3 50.4 -7.8 21 22 A D T 3 S+ 0 0 14 -19,-0.2 27,-2.4 26,-0.1 2,-0.4 0.453 81.7 94.1 -82.1 -0.2 11.1 46.9 -6.3 22 23 A Y E < +a 48 0A 22 -3,-1.7 2,-0.3 25,-0.2 27,-0.2 -0.766 47.6 175.7 -97.8 137.7 11.2 48.3 -2.7 23 24 A I E -a 49 0A 19 25,-2.5 27,-2.1 -2,-0.4 29,-0.2 -0.972 29.7-115.0-132.7 149.4 8.1 49.2 -0.6 24 25 A T > - 0 0 48 -2,-0.3 4,-2.7 25,-0.2 5,-0.2 -0.280 33.6-104.2 -75.9 166.5 8.0 50.3 3.0 25 26 A K H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.869 122.5 53.4 -56.8 -39.1 6.4 48.2 5.8 26 27 A S H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 110.8 47.3 -66.7 -38.3 3.3 50.5 5.8 27 28 A Q H > S+ 0 0 90 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.925 111.6 49.6 -63.7 -50.7 2.9 49.9 2.1 28 29 A A H X>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.6 0.902 111.6 49.2 -54.8 -43.4 3.4 46.1 2.4 29 30 A S H ><5S+ 0 0 68 -4,-2.5 3,-1.0 3,-0.2 -1,-0.2 0.880 106.9 55.7 -64.3 -37.4 0.7 46.1 5.2 30 31 A A H 3<5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.869 107.4 50.3 -61.3 -35.8 -1.6 48.1 3.0 31 32 A L H 3<5S- 0 0 81 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.572 132.2 -92.7 -77.3 -10.2 -1.2 45.3 0.4 32 33 A G T <<5S+ 0 0 38 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.2 0.511 71.8 150.9 109.1 9.4 -2.0 42.6 3.0 33 34 A W < - 0 0 27 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.3 -0.540 23.9-167.7 -69.1 134.7 1.4 41.6 4.3 34 35 A V >>> - 0 0 69 -2,-0.2 3,-2.1 0, 0.0 4,-0.6 -0.998 26.7-115.6-128.1 125.4 1.3 40.4 7.8 35 36 A A T 345S+ 0 0 62 -2,-0.4 45,-0.0 1,-0.3 -2,-0.0 -0.416 103.6 21.7 -54.9 125.1 4.5 39.9 9.8 36 37 A S T 345S+ 0 0 80 -2,-0.1 -1,-0.3 173,-0.1 44,-0.1 0.055 103.0 85.3 99.3 -22.1 4.9 36.2 10.5 37 38 A K T <45S- 0 0 139 -3,-2.1 -2,-0.2 42,-0.1 43,-0.1 0.688 83.7-144.3 -79.1 -19.2 2.6 35.0 7.7 38 39 A G T <5 + 0 0 6 -4,-0.6 41,-0.4 41,-0.1 3,-0.3 0.746 57.8 129.7 61.4 31.8 5.6 35.1 5.3 39 40 A D >>< + 0 0 10 -5,-0.5 4,-2.0 1,-0.2 3,-0.9 0.229 20.8 112.1-103.6 9.3 3.2 36.2 2.5 40 41 A L H 3> S+ 0 0 1 39,-0.3 4,-2.6 1,-0.3 7,-0.2 0.890 79.3 51.4 -49.6 -49.4 5.0 39.3 1.0 41 42 A A H 34 S+ 0 0 14 38,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.772 111.1 48.9 -64.1 -26.2 5.7 37.6 -2.3 42 43 A E H <4 S+ 0 0 104 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.808 119.1 36.8 -82.8 -33.2 2.1 36.6 -2.7 43 44 A V H < S+ 0 0 49 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.704 134.5 23.4 -89.2 -21.6 0.6 40.0 -1.9 44 45 A A S >< S- 0 0 6 -4,-2.6 3,-2.2 -5,-0.3 -1,-0.2 -0.560 84.1-150.8-143.3 71.3 3.3 42.0 -3.7 45 46 A P T 3 S+ 0 0 102 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.218 80.6 5.3 -52.5 125.8 5.1 39.9 -6.4 46 47 A G T 3 S+ 0 0 48 31,-0.3 2,-0.2 1,-0.3 -5,-0.1 0.437 102.2 123.9 78.7 4.8 8.7 40.9 -6.9 47 48 A K < - 0 0 72 -3,-2.2 2,-0.3 -7,-0.2 -1,-0.3 -0.623 41.4-163.2 -95.4 155.1 8.7 43.5 -4.1 48 49 A S E -a 22 0A 3 -27,-2.4 -25,-2.5 -2,-0.2 2,-0.3 -0.951 28.3-106.8-128.8 153.8 11.1 43.6 -1.1 49 50 A I E +a 23 0A 0 -2,-0.3 24,-2.9 -27,-0.2 2,-0.3 -0.650 59.7 128.3 -80.9 134.0 10.6 45.6 2.2 50 51 A G E +B 72 0B 3 -27,-2.1 22,-0.3 -2,-0.3 -2,-0.1 -0.921 28.9 64.8-174.1 162.0 12.9 48.7 2.5 51 52 A G E + 0 0 11 20,-3.0 21,-0.1 1,-0.4 -27,-0.1 0.222 65.1 128.5 103.9 -10.5 13.1 52.4 3.2 52 53 A D E - 0 0 40 19,-0.5 19,-2.2 -29,-0.2 -1,-0.4 -0.417 67.2 -89.1 -77.1 154.6 12.0 52.4 6.8 53 54 A V E -B 70 0B 100 17,-0.2 2,-0.5 -2,-0.1 17,-0.3 -0.330 30.5-148.3 -63.0 134.4 14.0 54.2 9.6 54 55 A F E -B 69 0B 26 15,-3.3 15,-0.7 34,-0.2 -1,-0.0 -0.969 5.2-157.2-103.3 125.3 16.7 52.2 11.4 55 56 A S - 0 0 68 -2,-0.5 -1,-0.1 13,-0.1 4,-0.1 0.810 11.0-148.0 -76.2 -32.6 16.9 53.4 15.0 56 57 A N > + 0 0 18 2,-0.1 3,-1.9 1,-0.1 5,-0.1 0.859 34.3 163.3 64.7 37.8 20.5 52.2 15.8 57 58 A R T 3 + 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.837 69.9 52.5 -53.3 -41.2 19.4 51.7 19.5 58 59 A E T 3 S- 0 0 133 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.325 106.5-127.0 -82.5 5.2 22.4 49.6 20.2 59 60 A G < + 0 0 50 -3,-1.9 4,-0.1 1,-0.1 -2,-0.1 0.522 64.0 138.5 59.7 12.5 24.9 52.2 18.9 60 61 A R + 0 0 124 41,-0.1 44,-0.1 2,-0.1 -1,-0.1 0.631 59.4 59.6 -58.7 -22.3 26.6 49.7 16.5 61 62 A L S S- 0 0 2 -5,-0.1 34,-0.0 1,-0.1 -2,-0.0 -0.852 102.8 -89.4-111.1 149.5 26.8 52.2 13.7 62 63 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.263 42.1-146.9 -57.4 134.0 28.6 55.6 13.8 63 64 A S + 0 0 99 -4,-0.1 2,-0.3 -3,-0.0 5,-0.1 -0.772 20.6 173.2-100.4 151.3 26.5 58.5 15.1 64 65 A A > - 0 0 47 3,-0.3 3,-1.8 -2,-0.3 2,-0.4 -0.957 44.9 -76.4-149.8 161.4 26.8 62.1 13.9 65 66 A G T 3 S- 0 0 88 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.507 119.2 -0.9 -64.1 116.6 24.9 65.3 14.4 66 67 A S T 3 S+ 0 0 82 -2,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.530 98.0 138.3 77.9 9.0 21.8 65.2 12.2 67 68 A R < + 0 0 49 -3,-1.8 -3,-0.3 23,-0.1 2,-0.3 -0.789 25.6 176.6 -91.5 125.2 22.6 61.6 10.8 68 69 A T - 0 0 92 -2,-0.5 22,-2.3 -3,-0.1 2,-0.3 -0.857 16.3-136.7-121.8 161.3 19.8 59.2 10.5 69 70 A W E -BC 54 89B 8 -15,-0.7 -15,-3.3 -2,-0.3 2,-0.3 -0.909 12.2-169.7-124.4 145.2 19.6 55.6 9.1 70 71 A R E -BC 53 88B 118 18,-2.7 18,-2.8 -2,-0.3 2,-0.3 -0.874 12.3-145.9-127.2 160.7 17.4 53.6 6.9 71 72 A E E - C 0 87B 16 -19,-2.2 -20,-3.0 -2,-0.3 -19,-0.5 -0.880 9.8-171.3-128.0 157.3 17.3 49.8 6.1 72 73 A A E -BC 50 86B 0 14,-2.0 14,-2.7 -2,-0.3 -22,-0.3 -0.978 28.3-114.8-148.1 141.0 16.4 47.6 3.1 73 74 A D E - C 0 85B 0 -24,-2.9 2,-0.3 -2,-0.3 12,-0.2 -0.549 32.4-155.8 -73.9 139.0 16.0 43.8 2.8 74 75 A I + 0 0 0 10,-1.9 10,-0.4 -2,-0.2 -70,-0.2 -0.889 64.8 10.8-119.9 146.6 18.6 42.1 0.6 75 76 A N S S+ 0 0 67 -72,-2.8 2,-0.3 -2,-0.3 -1,-0.1 0.644 81.4 156.5 63.7 19.4 18.4 38.8 -1.3 76 77 A Y + 0 0 8 -73,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.603 10.7 151.8 -77.4 138.1 14.7 38.5 -0.7 77 78 A V - 0 0 118 1,-0.4 -31,-0.3 -2,-0.3 2,-0.3 0.559 61.9 -39.1-127.9 -62.9 12.7 36.3 -3.2 78 79 A S S S+ 0 0 32 2,-0.2 -1,-0.4 -33,-0.1 2,-0.1 -0.973 93.7 36.1-163.2 169.9 9.7 34.8 -1.4 79 80 A G S S+ 0 0 1 -41,-0.4 -39,-0.3 -2,-0.3 -38,-0.3 -0.428 101.5 2.8 81.9-156.9 8.5 33.3 1.9 80 81 A F S S- 0 0 38 -2,-0.1 -2,-0.2 1,-0.1 130,-0.1 -0.290 87.4 -98.2 -61.3 145.5 9.7 34.5 5.3 81 82 A R - 0 0 49 1,-0.1 -1,-0.1 -5,-0.1 2,-0.1 -0.321 38.7-138.1 -65.2 148.8 12.1 37.4 5.4 82 83 A N - 0 0 12 -8,-0.2 130,-0.2 2,-0.2 129,-0.1 -0.070 23.1-102.6 -90.4-163.4 15.8 36.6 5.8 83 84 A A S S+ 0 0 4 128,-0.5 17,-2.1 15,-0.2 2,-0.5 0.283 80.6 113.3-106.9 6.2 18.5 38.2 7.9 84 85 A D + 0 0 29 -10,-0.4 -10,-1.9 14,-0.2 2,-0.3 -0.707 39.5 163.8 -86.1 125.8 20.2 40.2 5.0 85 86 A R E -CD 73 97B 3 12,-2.4 12,-2.0 -2,-0.5 2,-0.4 -0.996 33.0-148.2-141.9 147.6 20.0 44.0 5.3 86 87 A L E -CD 72 96B 0 -14,-2.7 -14,-2.0 -2,-0.3 2,-0.4 -0.938 19.1-164.3-107.1 133.3 21.6 47.1 3.8 87 88 A V E -CD 71 95B 0 8,-2.8 8,-3.1 -2,-0.4 2,-0.4 -0.994 11.1-175.9-122.0 125.0 21.6 50.0 6.3 88 89 A Y E -CD 70 94B 15 -18,-2.8 -18,-2.7 -2,-0.4 6,-0.2 -0.961 13.9-137.2-131.9 141.2 22.3 53.4 4.9 89 90 A S E > -C 69 0B 2 4,-2.6 3,-1.8 -2,-0.4 -20,-0.2 -0.471 27.1-113.1 -94.6 162.6 22.8 56.8 6.3 90 91 A S T 3 S+ 0 0 58 -22,-2.3 -21,-0.1 1,-0.3 -1,-0.1 0.726 123.0 49.8 -59.1 -27.3 21.5 60.3 5.4 91 92 A D T 3 S- 0 0 82 -23,-0.2 -1,-0.3 2,-0.1 -24,-0.0 0.213 125.5-105.1 -95.9 11.8 25.2 61.2 4.6 92 93 A W < + 0 0 73 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.757 65.1 150.8 70.1 31.4 25.5 58.0 2.4 93 94 A L - 0 0 27 14,-0.0 -4,-2.6 13,-0.0 2,-0.5 -0.756 31.7-156.6 -78.0 140.6 27.6 55.6 4.6 94 95 A I E +D 88 0B 0 14,-2.5 13,-3.1 -2,-0.4 14,-1.7 -0.974 15.3 177.8-128.6 122.7 26.4 52.1 3.6 95 96 A Y E -DE 87 106B 34 -8,-3.1 -8,-2.8 -2,-0.5 2,-0.3 -0.881 13.2-149.7-119.4 154.5 26.7 49.0 5.8 96 97 A K E -DE 86 105B 71 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.873 9.1-173.4-117.7 153.1 25.7 45.4 5.3 97 98 A T E -D 85 0B 3 -12,-2.0 -12,-2.4 -2,-0.3 7,-0.1 -0.986 15.8-177.8-140.6 140.3 24.6 42.8 7.8 98 99 A T S S+ 0 0 82 -2,-0.3 -15,-0.2 5,-0.3 -14,-0.2 0.171 83.8 58.8-117.5 13.4 23.9 39.0 7.2 99 100 A D S > S- 0 0 51 4,-0.4 3,-1.0 -14,-0.1 -15,-0.1 -0.133 120.1 -90.7-136.2 33.5 22.9 38.4 10.8 100 101 A H T 3 S- 0 0 78 -17,-2.1 -16,-0.1 1,-0.2 -2,-0.0 0.903 88.4 -45.9 56.3 49.7 20.0 40.7 11.4 101 102 A Y T 3 S+ 0 0 31 -18,-0.3 -1,-0.2 2,-0.3 -41,-0.1 0.521 109.8 115.4 76.4 5.3 21.9 43.7 12.7 102 103 A A S < S+ 0 0 54 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.971 87.9 11.1 -63.7 -58.2 24.1 41.6 15.1 103 104 A T S S- 0 0 83 2,-0.0 -4,-0.4 0, 0.0 -2,-0.3 -0.904 73.0-156.9-120.2 156.2 27.3 42.6 13.1 104 105 A F - 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