==== 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 16-MAY-08 3D5I . COMPND 2 MOLECULE: RIBONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AUREOFACIENS; . AUTHOR V.BAUEROVA-HLINKOVA,J.SEVCIK . 279 5 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 17.9 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 . 3 1.1 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 . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 0 4 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 3 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 4 A A 0 0 161 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-155.6 57.8 14.8 -15.9 2 5 A L - 0 0 51 1,-0.1 85,-0.1 40,-0.0 41,-0.0 -0.539 360.0 -84.0 -81.1 158.7 61.0 12.8 -16.8 3 6 A A - 0 0 59 83,-0.5 85,-2.8 -2,-0.2 2,-0.3 -0.307 40.6-132.0 -63.4 147.1 63.3 13.9 -19.7 4 7 A D E -a 88 0A 106 83,-0.2 2,-0.3 -3,-0.1 85,-0.2 -0.743 21.9-169.7 -96.6 147.3 62.5 12.8 -23.3 5 8 A V E -a 89 0A 26 83,-2.2 85,-3.6 -2,-0.3 2,-0.2 -0.994 24.4-115.9-142.4 137.5 65.1 11.2 -25.5 6 9 A a E >> -a 90 0A 27 -2,-0.3 3,-1.5 83,-0.2 4,-0.6 -0.525 18.9-132.7 -73.2 135.6 65.0 10.4 -29.2 7 10 A R G >4 S+ 0 0 98 83,-2.2 3,-1.2 86,-0.7 -1,-0.1 0.878 107.3 54.9 -54.3 -42.0 65.2 6.8 -30.0 8 11 A T G 34 S+ 0 0 68 85,-1.9 -1,-0.3 82,-0.3 7,-0.0 0.614 102.7 58.5 -69.7 -12.7 67.9 7.5 -32.7 9 12 A K G <4 S+ 0 0 154 -3,-1.5 -1,-0.2 84,-0.2 -2,-0.2 0.598 87.3 95.6 -88.7 -14.5 70.1 9.3 -30.1 10 13 A L S << S- 0 0 9 -3,-1.2 5,-0.1 -4,-0.6 -3,-0.0 -0.320 92.5 -80.3 -74.1 158.1 70.3 6.2 -27.9 11 14 A P >> - 0 0 41 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.233 41.8-111.5 -51.7 146.6 73.3 3.8 -28.0 12 15 A S H 3> S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.840 119.6 54.7 -45.6 -40.5 73.1 1.3 -30.9 13 16 A Q H 3> S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 44,-0.4 0.813 103.6 53.1 -70.4 -30.8 72.7 -1.4 -28.2 14 17 A A H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.904 109.9 48.9 -69.5 -41.3 69.6 0.3 -26.7 15 18 A Q H X S+ 0 0 45 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.890 106.8 56.4 -63.3 -39.9 68.0 0.4 -30.1 16 19 A D H X S+ 0 0 103 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.920 107.7 48.7 -55.2 -46.4 68.8 -3.3 -30.5 17 20 A T H X S+ 0 0 10 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.900 107.6 54.2 -60.8 -45.5 66.9 -3.9 -27.3 18 21 A L H X S+ 0 0 14 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.900 110.3 48.0 -53.3 -40.4 64.0 -1.9 -28.5 19 22 A A H X S+ 0 0 43 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.882 109.9 50.4 -73.4 -40.1 63.9 -4.0 -31.7 20 23 A L H <>S+ 0 0 53 -4,-2.3 5,-3.2 2,-0.2 4,-0.4 0.855 110.2 51.2 -63.7 -39.4 64.1 -7.4 -29.8 21 24 A I H ><5S+ 0 0 30 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.903 108.5 50.1 -61.5 -44.7 61.2 -6.2 -27.6 22 25 A A H 3<5S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.834 116.6 44.2 -60.9 -30.6 59.2 -5.3 -30.7 23 26 A K T 3<5S- 0 0 155 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.448 111.4-122.7 -87.9 -8.5 60.1 -8.9 -31.9 24 27 A N T < 5 - 0 0 129 -3,-1.1 -3,-0.2 -4,-0.4 3,-0.2 0.850 52.9-120.8 54.5 46.0 59.4 -10.6 -28.5 25 28 A G < - 0 0 9 -5,-3.2 2,-0.1 1,-0.3 0, 0.0 -0.444 30.0-134.2 80.5-155.6 62.9 -11.9 -28.4 26 29 A P - 0 0 127 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.515 58.3-149.8 -57.8 145.2 64.5 -14.4 -28.2 27 30 A Y - 0 0 62 -3,-0.2 5,-0.0 -2,-0.1 -10,-0.0 -0.646 17.3-132.1 -99.7 150.3 66.4 -12.4 -25.5 28 31 A P S S+ 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.698 85.8 53.6 -70.6 -22.8 70.1 -12.7 -24.6 29 32 A Y S > S- 0 0 61 1,-0.1 3,-1.6 26,-0.1 -2,-0.1 -0.929 72.8-134.0-122.1 144.3 69.5 -12.9 -20.8 30 33 A N T 3 S+ 0 0 175 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.844 109.6 54.3 -56.8 -32.0 67.5 -15.1 -18.5 31 34 A R T > S+ 0 0 66 2,-0.1 3,-1.8 -3,-0.0 -1,-0.3 0.483 77.7 120.0 -82.9 -3.0 66.3 -12.0 -16.6 32 35 A D T < S+ 0 0 17 -3,-1.6 22,-0.2 1,-0.3 -5,-0.1 -0.478 78.9 18.8 -64.4 128.1 65.1 -10.2 -19.8 33 36 A G T 3 S+ 0 0 26 20,-3.1 -1,-0.3 1,-0.3 21,-0.2 0.476 84.9 142.0 87.9 2.7 61.4 -9.5 -19.4 34 37 A V E < -B 53 0A 27 -3,-1.8 19,-2.8 19,-0.5 -1,-0.3 -0.488 61.8 -87.9 -70.9 149.5 61.1 -9.8 -15.6 35 38 A V E -B 52 0A 27 195,-0.5 2,-0.5 17,-0.2 17,-0.3 -0.296 31.6-148.5 -53.0 134.1 58.7 -7.3 -13.9 36 39 A F E -B 51 0A 6 15,-2.3 15,-0.6 34,-0.2 14,-0.1 -0.965 5.2-161.2-105.1 123.2 60.0 -4.0 -12.8 37 40 A E - 0 0 39 -2,-0.5 4,-0.1 13,-0.1 -1,-0.1 0.490 19.6-139.0 -89.5 -5.0 58.2 -2.8 -9.7 38 41 A N > + 0 0 12 1,-0.1 3,-2.2 2,-0.1 5,-0.1 0.899 34.9 170.6 51.7 44.3 59.1 1.0 -9.8 39 42 A R T 3 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.1 234,-0.0 0.697 72.7 50.4 -63.7 -20.9 59.5 0.9 -6.1 40 43 A E T 3 S- 0 0 57 232,-0.0 -1,-0.3 215,-0.0 -2,-0.1 0.343 106.8-126.4 -97.1 4.5 61.0 4.4 -6.1 41 44 A S < + 0 0 62 -3,-2.2 4,-0.1 -4,-0.1 -2,-0.1 0.781 65.5 137.6 53.5 31.4 58.1 5.8 -8.2 42 45 A R + 0 0 108 41,-0.1 44,-0.1 2,-0.1 -1,-0.1 0.774 66.2 52.5 -75.0 -27.2 60.5 7.3 -10.8 43 46 A L S S- 0 0 5 1,-0.1 3,-0.1 -5,-0.1 34,-0.0 -0.657 117.0 -72.4 -95.8 161.2 58.1 6.1 -13.5 44 47 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.282 60.5-105.0 -50.4 138.9 54.4 6.9 -13.5 45 48 A K + 0 0 162 -4,-0.1 2,-0.2 -3,-0.1 -7,-0.1 -0.564 55.6 152.6 -79.7 129.2 52.7 5.0 -10.8 46 49 A K - 0 0 111 -2,-0.3 3,-0.1 1,-0.2 5,-0.1 -0.741 44.1 -69.4-138.6-176.0 50.6 2.0 -12.0 47 50 A G > - 0 0 55 -2,-0.2 3,-1.3 1,-0.2 4,-0.2 -0.120 68.5 -64.5 -76.8 178.5 49.4 -1.3 -10.8 48 51 A N T 3 S+ 0 0 113 1,-0.2 -1,-0.2 2,-0.1 -11,-0.1 -0.308 119.4 17.2 -66.7 144.3 51.5 -4.4 -10.2 49 52 A G T 3 S+ 0 0 28 -3,-0.1 -1,-0.2 2,-0.1 -12,-0.1 0.614 84.5 122.8 73.2 12.6 53.2 -6.0 -13.2 50 53 A Y < + 0 0 36 -3,-1.3 2,-0.3 -14,-0.1 22,-0.2 0.848 67.1 52.5 -71.9 -35.9 52.8 -2.8 -15.4 51 54 A Y E -B 36 0A 6 -15,-0.6 -15,-2.3 -4,-0.2 2,-0.3 -0.788 61.4-174.0-107.7 141.2 56.5 -2.5 -16.1 52 55 A H E -BC 35 70A 62 18,-1.7 18,-2.3 -2,-0.3 2,-0.3 -0.969 16.3-137.0-128.6 152.0 59.1 -5.0 -17.4 53 56 A E E -BC 34 69A 2 -19,-2.8 -20,-3.1 -2,-0.3 -19,-0.5 -0.847 14.6-171.7-113.4 147.2 62.8 -4.6 -17.8 54 57 A F E - C 0 68A 14 14,-2.5 14,-2.5 -2,-0.3 2,-0.2 -0.999 26.6-114.2-136.3 136.4 65.2 -5.6 -20.6 55 58 A T E - C 0 67A 3 -2,-0.4 2,-0.6 12,-0.2 12,-0.3 -0.492 14.8-151.4 -70.7 132.5 69.0 -5.6 -20.7 56 59 A V - 0 0 0 10,-2.5 10,-0.4 -2,-0.2 -42,-0.2 -0.947 35.2-114.8 -95.4 118.3 70.8 -3.3 -23.1 57 60 A V - 0 0 60 -2,-0.6 -44,-0.1 -44,-0.4 6,-0.1 -0.244 24.7-154.7 -56.9 136.3 74.1 -5.1 -23.8 58 61 A T - 0 0 46 4,-0.3 2,-1.2 5,-0.3 -1,-0.1 -0.971 23.6-124.9-111.2 113.0 77.3 -3.4 -22.6 59 62 A P 0 0 98 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.382 360.0 360.0 -47.7 89.3 80.4 -4.3 -24.6 60 63 A G 0 0 81 -2,-1.2 4,-0.1 2,-0.2 -2,-0.0 -0.342 360.0 360.0-129.5 360.0 82.0 -5.4 -21.4 61 ! 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 62 66 A D 0 0 171 0, 0.0 -4,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -36.7 79.5 -8.5 -17.6 63 67 A R - 0 0 64 -6,-0.1 -5,-0.3 1,-0.1 3,-0.2 0.853 360.0-168.4 -83.9 -39.0 75.7 -8.0 -17.8 64 68 A G - 0 0 33 1,-0.2 -1,-0.1 -7,-0.1 17,-0.1 -0.173 29.6 -74.5 85.4-170.2 76.0 -4.3 -16.7 65 69 A T S S+ 0 0 74 15,-0.2 17,-2.8 -10,-0.1 2,-0.3 0.469 82.5 111.6-109.7 -5.2 73.6 -1.6 -15.7 66 70 A R + 0 0 47 -10,-0.4 -10,-2.5 -3,-0.2 2,-0.3 -0.571 40.5 165.7 -89.9 136.2 71.9 -0.5 -18.9 67 71 A R E -CD 55 79A 6 12,-3.3 12,-2.2 -2,-0.3 2,-0.4 -0.958 34.8-145.6-144.1 152.4 68.2 -1.2 -19.3 68 72 A V E -CD 54 78A 0 -14,-2.5 -14,-2.5 -2,-0.3 2,-0.4 -0.978 21.6-161.1-107.7 136.0 65.0 -0.5 -21.2 69 73 A V E -CD 53 77A 0 8,-2.2 8,-2.4 -2,-0.4 2,-0.3 -0.976 6.1-160.3-113.7 134.8 61.8 -0.6 -19.2 70 74 A T E -CD 52 76A 18 -18,-2.3 -18,-1.7 -2,-0.4 2,-0.2 -0.781 5.0-143.9-109.2 152.9 58.4 -1.0 -21.0 71 75 A G > - 0 0 8 4,-2.0 3,-1.3 -2,-0.3 -20,-0.2 -0.677 34.3 -96.8-103.5 171.4 54.9 -0.2 -19.8 72 76 A G T 3 S+ 0 0 55 1,-0.2 -21,-0.1 -2,-0.2 -22,-0.0 0.583 121.4 43.1 -63.2 -18.5 51.6 -2.1 -20.4 73 77 A Y T 3 S- 0 0 210 -23,-0.1 -1,-0.2 2,-0.0 -23,-0.0 0.219 132.1 -81.6-112.6 11.7 50.5 0.1 -23.3 74 78 A G S < S+ 0 0 56 -3,-1.3 -2,-0.1 1,-0.3 2,-0.1 0.518 72.6 156.5 104.6 10.1 53.9 0.3 -25.1 75 79 A E - 0 0 37 13,-0.0 -4,-2.0 1,-0.0 2,-0.4 -0.401 25.0-158.5 -58.6 139.2 55.7 3.1 -23.1 76 80 A Q E -D 70 0A 44 13,-0.4 13,-2.6 -6,-0.2 2,-0.4 -0.996 9.5-173.8-128.1 134.6 59.5 2.7 -23.4 77 81 A Y E -DE 69 88A 3 -8,-2.4 -8,-2.2 -2,-0.4 2,-0.4 -0.975 15.5-138.8-131.2 142.0 62.0 4.2 -21.0 78 82 A W E +DE 68 87A 18 9,-2.8 9,-2.1 -2,-0.4 -10,-0.2 -0.823 21.3 171.5-100.3 134.9 65.8 4.4 -21.0 79 83 A S E +D 67 0A 0 -12,-2.2 -12,-3.3 -2,-0.4 3,-0.4 -0.879 12.4 178.9-140.9 113.7 68.0 3.8 -17.9 80 84 A P S S+ 0 0 45 0, 0.0 -15,-0.2 0, 0.0 6,-0.1 0.545 80.7 54.5 -81.7 -5.1 71.8 3.5 -18.2 81 85 A D S > S- 0 0 52 4,-0.4 3,-1.4 -14,-0.1 -15,-0.2 -0.330 119.4 -88.3-137.1 43.6 72.2 3.1 -14.4 82 86 A H T 3 S- 0 0 65 -17,-2.8 -16,-0.1 -3,-0.4 -18,-0.0 0.856 94.7 -44.7 46.6 50.4 70.1 0.2 -13.2 83 87 A Y T 3 S+ 0 0 9 2,-0.3 -1,-0.3 -18,-0.2 -41,-0.1 0.515 106.4 117.9 78.5 13.9 67.0 2.3 -12.6 84 88 A A S < S+ 0 0 50 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.856 87.0 17.7 -72.2 -36.2 68.7 5.3 -10.8 85 89 A T S S- 0 0 73 2,-0.0 -4,-0.4 -83,-0.0 2,-0.4 -0.976 70.4-161.6-134.8 149.3 67.5 7.6 -13.7 86 90 A F - 0 0 12 -2,-0.3 -83,-0.5 -7,-0.1 2,-0.4 -0.985 5.5-171.3-128.2 140.4 64.8 7.2 -16.4 87 91 A Q E - E 0 78A 61 -9,-2.1 -9,-2.8 -2,-0.4 2,-0.5 -0.981 29.2-123.1-118.2 143.6 64.2 9.0 -19.7 88 92 A E E -aE 4 77A 73 -85,-2.8 -83,-2.2 -2,-0.4 2,-0.4 -0.766 29.6-127.7 -83.4 125.5 61.0 8.4 -21.8 89 93 A I E -a 5 0A 4 -13,-2.6 -13,-0.4 -2,-0.5 -83,-0.2 -0.634 13.6-147.0 -79.7 124.2 62.1 7.2 -25.3 90 94 A D E > -a 6 0A 25 -85,-3.6 -83,-2.2 -2,-0.4 3,-1.2 -0.848 7.5-165.8 -91.7 108.4 60.4 9.3 -28.0 91 95 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -85,-0.1 0.597 78.3 75.7 -73.9 -7.0 59.9 6.9 -30.9 92 96 A R T 3 0 0 212 -85,-0.0 -86,-0.1 -3,-0.0 -3,-0.0 0.567 360.0 360.0 -78.7 -11.9 59.3 9.9 -33.2 93 97 A a < 0 0 53 -3,-1.2 -85,-1.9 -88,-0.1 -86,-0.7 -0.877 360.0 360.0-144.9 360.0 62.9 11.0 -33.6 94 !* 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 95 1 B A 0 0 157 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.0 84.2 -17.9 24.1 96 2 B D - 0 0 106 1,-0.1 3,-0.1 46,-0.0 2,-0.0 -0.405 360.0 -90.7 -61.3 144.6 80.8 -19.4 24.6 97 3 B P - 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