==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-98 4HOH . COMPND 2 MOLECULE: PROTEIN (RIBONUCLEASE T1); . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR U.LANGHORST,R.LORIS,V.P.DENISOV,J.DOUMEN,P.ROOSE,D.MAES, . 416 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 1 0.2 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 . 24 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 4 8 0 8 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 . 4 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 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 A 0 0 114 0, 0.0 2,-2.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -82.7 18.4 2.6 50.7 2 2 A a + 0 0 63 1,-0.2 10,-0.2 10,-0.1 3,-0.1 -0.450 360.0 150.1 -79.2 70.4 21.0 5.4 51.1 3 3 A D S S+ 0 0 71 -2,-2.2 2,-0.4 8,-0.7 -1,-0.2 0.863 70.1 28.1 -69.6 -38.1 20.4 7.0 47.8 4 4 A Y E -A 11 0A 61 7,-2.6 7,-3.2 -3,-0.3 2,-0.6 -0.993 67.9-162.3-129.9 128.0 21.4 10.5 49.1 5 5 A T E -A 10 0A 52 99,-2.5 99,-1.4 -2,-0.4 2,-0.7 -0.940 6.9-177.7-112.9 111.5 23.8 11.2 52.0 6 6 A b E > -A 9 0A 1 3,-2.9 3,-2.7 -2,-0.6 2,-0.5 -0.899 68.6 -58.5-109.3 98.9 23.5 14.6 53.5 7 7 A G T 3 S- 0 0 49 -2,-0.7 84,-0.0 1,-0.3 87,-0.0 -0.533 122.0 -20.1 65.8-115.4 26.1 14.8 56.2 8 8 A S T 3 S+ 0 0 119 -2,-0.5 2,-0.5 -3,-0.1 -1,-0.3 0.343 117.5 104.0-104.3 2.9 25.1 11.9 58.4 9 9 A N E < -A 6 0A 50 -3,-2.7 -3,-2.9 -7,-0.0 2,-0.5 -0.755 57.4-154.0 -91.3 131.6 21.5 11.8 57.1 10 10 A a E -A 5 0A 67 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.899 12.1-172.9-108.4 126.8 20.5 9.1 54.8 11 11 A Y E -A 4 0A 4 -7,-3.2 -7,-2.6 -2,-0.5 -8,-0.7 -0.950 12.0-147.3-122.7 139.8 17.7 9.6 52.3 12 12 A S > - 0 0 28 -2,-0.4 4,-2.0 -9,-0.2 5,-0.2 -0.492 35.5-105.5 -93.7 168.0 16.0 7.1 49.9 13 13 A S H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.846 123.5 55.9 -61.1 -33.2 14.5 8.1 46.5 14 14 A S H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 104.6 51.3 -65.4 -42.3 11.1 7.8 48.1 15 15 A D H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.934 113.8 44.1 -60.1 -48.7 12.0 10.3 50.9 16 16 A V H X S+ 0 0 4 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.926 113.5 51.3 -62.6 -43.6 13.2 12.8 48.3 17 17 A S H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.866 110.7 48.0 -62.3 -41.0 10.1 12.1 46.1 18 18 A T H X S+ 0 0 80 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.903 114.0 46.3 -67.8 -43.0 7.7 12.7 49.0 19 19 A A H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.930 112.4 50.8 -65.4 -45.6 9.4 15.9 50.1 20 20 A Q H X S+ 0 0 21 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.893 107.8 52.4 -59.5 -43.9 9.5 17.2 46.5 21 21 A A H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.883 111.0 47.9 -60.7 -40.1 5.8 16.6 45.9 22 22 A A H X S+ 0 0 26 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.917 114.3 45.3 -68.1 -44.9 4.9 18.5 49.0 23 23 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.871 112.8 49.9 -67.2 -39.1 7.1 21.5 48.2 24 24 A Y H X S+ 0 0 45 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.888 107.3 55.6 -66.4 -38.7 6.0 21.6 44.6 25 25 A K H X S+ 0 0 106 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.918 110.0 45.4 -60.2 -44.9 2.3 21.5 45.7 26 26 A L H X>S+ 0 0 32 -4,-1.7 5,-2.6 2,-0.2 4,-1.0 0.896 112.8 50.4 -65.2 -41.7 2.8 24.5 47.9 27 27 A H H ><5S+ 0 0 43 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.917 109.0 52.5 -60.7 -44.7 4.7 26.4 45.2 28 28 A E H 3<5S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.870 112.3 44.5 -59.3 -39.7 1.9 25.6 42.8 29 29 A D H 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.585 113.0-119.4 -81.8 -12.6 -0.7 27.1 45.2 30 30 A G T <<5 + 0 0 66 -4,-1.0 2,-0.3 -3,-0.6 -3,-0.2 0.779 68.7 133.9 78.7 27.2 1.5 30.1 45.9 31 31 A E < - 0 0 109 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.3 -0.775 34.5-168.3-111.2 154.6 1.8 29.3 49.6 32 32 A T - 0 0 77 -2,-0.3 2,-0.3 -3,-0.1 5,-0.1 -0.952 2.5-161.5-138.3 158.3 4.8 29.2 52.0 33 33 A V B > +B 38 0B 41 5,-2.3 5,-2.6 -2,-0.3 37,-0.2 -0.945 46.8 34.7-138.5 156.7 5.5 27.9 55.5 34 34 A G T > 5S- 0 0 26 -2,-0.3 3,-1.5 35,-0.2 37,-0.1 0.037 93.7 -70.1 87.4 165.1 8.2 28.6 58.1 35 35 A S T 3 5S+ 0 0 75 35,-0.3 -1,-0.2 36,-0.3 37,-0.1 0.759 134.1 48.6 -66.2 -24.6 10.2 31.6 59.1 36 36 A N T 3 5S- 0 0 60 -3,-0.2 -1,-0.3 34,-0.1 -2,-0.1 0.267 111.8-119.9 -98.0 10.0 12.1 31.5 55.8 37 37 A S T < 5 - 0 0 58 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.945 40.6-128.4 51.7 67.8 9.0 31.1 53.7 38 38 A Y B + 0 0 35 1,-0.1 3,-1.4 2,-0.1 -2,-0.0 0.911 47.8 162.9 66.0 47.2 22.4 28.8 42.7 45 45 A Y T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 284,-0.1 0.769 74.4 61.8 -63.9 -26.6 25.1 31.0 44.2 46 46 A E T 3 S- 0 0 53 283,-0.0 -1,-0.3 55,-0.0 -2,-0.1 0.641 106.8-131.0 -73.0 -18.3 27.0 27.8 44.7 47 47 A G < - 0 0 54 -3,-1.4 2,-0.1 1,-0.2 -2,-0.1 0.902 33.7-175.0 69.3 41.4 27.1 27.2 40.9 48 48 A F - 0 0 40 1,-0.1 2,-1.6 53,-0.0 -1,-0.2 -0.458 31.4-120.0 -69.6 145.2 25.9 23.6 41.0 49 49 A D - 0 0 154 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.642 40.8-175.8 -85.9 77.3 25.9 21.9 37.6 50 50 A F - 0 0 36 -2,-1.6 38,-0.1 1,-0.1 37,-0.1 -0.584 25.0-148.6 -78.5 142.1 22.2 21.0 37.5 51 51 A S S S+ 0 0 128 36,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.505 79.8 67.0 -84.8 -9.3 20.9 19.0 34.5 52 52 A V S S- 0 0 25 35,-0.1 -2,-0.1 33,-0.1 2,-0.1 -0.837 89.7-104.4-112.5 153.2 17.5 20.7 34.6 53 53 A S - 0 0 77 -2,-0.3 29,-0.2 1,-0.1 30,-0.2 -0.349 46.6 -81.1 -78.8 156.7 16.7 24.3 33.8 54 54 A S S S+ 0 0 79 27,-0.1 2,-0.1 -4,-0.1 -1,-0.1 -0.165 80.3 90.8 -75.9 175.4 15.9 27.1 36.2 55 55 A P - 0 0 53 0, 0.0 27,-0.7 0, 0.0 2,-0.3 0.532 65.1-165.7 -71.3 149.8 14.1 28.7 38.0 56 56 A Y E -CD 42 81C 28 -14,-0.6 -14,-2.2 25,-0.2 2,-0.4 -0.749 8.9-162.5-105.2 154.9 15.0 26.5 41.0 57 57 A Y E -CD 41 80C 25 23,-2.3 23,-2.1 -16,-0.3 2,-0.4 -0.996 10.1-141.7-137.1 138.5 13.3 26.3 44.4 58 58 A E E +CD 40 79C 15 -18,-2.5 -18,-1.3 -2,-0.4 21,-0.2 -0.846 19.8 176.3-104.9 141.5 14.5 24.9 47.7 59 59 A W E - D 0 78C 2 19,-2.1 19,-3.2 -2,-0.4 2,-0.1 -0.996 33.0-107.1-141.4 135.7 12.4 23.0 50.1 60 60 A P E - D 0 77C 0 0, 0.0 8,-0.5 0, 0.0 2,-0.5 -0.367 23.1-159.5 -67.9 141.0 13.4 21.3 53.4 61 61 A I - 0 0 8 15,-1.6 2,-0.4 12,-0.2 15,-0.4 -0.989 17.1-140.8-118.7 125.9 13.7 17.5 53.6 62 62 A L > - 0 0 25 4,-0.7 3,-1.6 -2,-0.5 12,-0.1 -0.792 10.9-142.9 -96.4 135.8 13.5 16.2 57.2 63 63 A S T 3 S+ 0 0 65 -2,-0.4 -1,-0.1 1,-0.3 -53,-0.1 0.750 99.3 66.5 -61.8 -26.5 15.6 13.3 58.5 64 64 A S T 3 S- 0 0 53 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.678 112.2-116.2 -70.0 -18.9 12.7 12.1 60.6 65 65 A G S < S+ 0 0 53 -3,-1.6 -2,-0.1 1,-0.4 2,-0.1 0.301 74.2 128.1 99.7 -10.9 10.7 11.3 57.5 66 66 A D - 0 0 109 1,-0.1 -4,-0.7 -5,-0.0 -1,-0.4 -0.427 66.1-109.9 -76.5 155.2 8.0 13.8 58.2 67 67 A V - 0 0 67 -2,-0.1 -6,-0.1 -6,-0.1 -1,-0.1 -0.701 42.1-101.4 -85.7 134.4 7.0 16.4 55.5 68 68 A Y + 0 0 8 -8,-0.5 -1,-0.1 -2,-0.4 -35,-0.0 -0.333 45.4 170.5 -57.0 134.0 8.1 19.9 56.4 69 69 A S - 0 0 103 3,-0.1 -35,-0.2 -2,-0.0 -1,-0.1 0.087 65.9 -65.2-137.1 26.6 5.3 22.0 57.7 70 70 A G S S+ 0 0 26 -37,-0.2 -35,-0.3 1,-0.1 -33,-0.1 0.337 100.2 103.2 111.5 -9.7 6.7 25.2 59.1 71 71 A G S S- 0 0 42 1,-0.2 -36,-0.3 -37,-0.1 -1,-0.1 0.368 87.7 -26.1 -81.3-142.6 8.9 24.2 62.0 72 72 A S - 0 0 12 166,-0.2 -1,-0.2 165,-0.2 -3,-0.1 -0.631 56.2-155.9 -74.1 121.1 12.7 23.9 62.1 73 73 A P - 0 0 0 0, 0.0 3,-0.3 0, 0.0 -12,-0.2 0.713 22.8-155.7 -71.9 -22.7 13.9 23.3 58.6 74 74 A G - 0 0 9 218,-2.5 220,-0.2 1,-0.2 221,-0.1 -0.245 38.5 -62.2 75.1-167.4 17.2 21.6 59.5 75 75 A A S S+ 0 0 17 219,-0.1 17,-1.9 -69,-0.1 2,-0.3 0.678 102.8 87.0 -94.0 -17.2 20.2 21.5 57.2 76 76 A D E + E 0 91C 5 -15,-0.4 -15,-1.6 -3,-0.3 2,-0.3 -0.636 48.0 178.9 -97.0 144.4 18.9 19.5 54.2 77 77 A R E -DE 60 90C 0 13,-3.0 13,-2.5 -2,-0.3 2,-0.4 -0.980 21.8-145.4-139.4 147.1 17.1 20.7 51.1 78 78 A V E -DE 59 89C 0 -19,-3.2 -19,-2.1 -2,-0.3 2,-0.5 -0.883 20.7-151.0-107.0 139.9 15.6 19.3 47.9 79 79 A V E +DE 58 88C 0 9,-2.9 8,-3.0 -2,-0.4 9,-1.7 -0.981 22.2 167.4-116.7 123.6 15.9 21.6 44.9 80 80 A F E -DE 57 86C 0 -23,-2.1 -23,-2.3 -2,-0.5 6,-0.2 -0.872 20.8-137.0-129.3 164.0 13.3 21.3 42.1 81 81 A N E > -D 56 0C 1 4,-1.8 3,-1.6 -2,-0.3 -25,-0.2 -0.445 40.8 -79.7-110.1-168.4 12.3 23.5 39.1 82 82 A E T 3 S+ 0 0 73 -27,-0.7 -26,-0.1 1,-0.3 -28,-0.1 0.712 126.1 56.1 -65.9 -24.6 9.1 24.7 37.5 83 83 A N T 3 S- 0 0 105 -30,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.249 117.6-111.0 -91.2 11.8 8.5 21.4 35.7 84 84 A N S < S+ 0 0 62 -3,-1.6 2,-0.4 1,-0.2 -2,-0.1 0.919 70.1 149.4 59.3 38.9 8.6 19.6 39.0 85 85 A Q - 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0 0 79 -3,-2.2 2,-0.3 -7,-0.1 -4,-0.2 -0.318 49.8-139.2 -76.7 163.9 26.6 27.9 51.9 100 100 A F - 0 0 14 -6,-0.1 2,-0.3 -2,-0.1 -8,-0.2 -0.854 9.8-163.2-123.7 154.1 25.5 24.5 50.6 101 101 A V E -F 91 0C 57 -10,-2.2 -10,-2.5 -2,-0.3 2,-0.2 -0.912 34.5 -99.9-130.6 154.6 27.3 21.3 49.4 102 102 A E E -F 90 0C 55 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.496 29.0-124.0 -79.1 147.0 25.7 18.6 47.4 103 103 A b 0 0 14 -14,-2.7 -14,-0.3 -2,-0.2 -97,-0.2 -0.754 360.0 360.0 -86.9 138.9 24.5 15.3 49.0 104 104 A T 0 0 148 -99,-1.4 -99,-2.5 -2,-0.4 -14,-0.0 -0.749 360.0 360.0-108.5 360.0 26.1 12.3 47.4 105 !* 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 0.0 106 1 B A 0 0 110 0, 0.0 2,-1.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 174.6 19.9 12.6 90.6 107 2 B c + 0 0 53 1,-0.2 10,-0.2 10,-0.1 3,-0.1 -0.684 360.0 159.3 -89.5 78.9 16.6 13.9 89.0 108 3 B D + 0 0 59 -2,-1.5 2,-0.4 8,-0.9 9,-0.2 0.822 64.0 30.3 -71.6 -37.6 17.1 11.8 85.8 109 4 B Y E -G 116 0D 63 7,-2.5 7,-3.1 -3,-0.2 2,-0.6 -0.995 66.8-162.2-129.7 128.3 13.4 11.8 84.7 110 5 B T E -G 115 0D 45 99,-2.5 99,-1.4 -2,-0.4 2,-0.8 -0.941 7.0-177.7-112.8 111.2 11.0 14.6 85.4 111 6 B d E > -G 114 0D 1 3,-2.8 3,-2.7 -2,-0.6 2,-0.4 -0.897 68.6 -58.6-108.8 98.7 7.3 13.6 85.1 112 7 B G T 3 S- 0 0 49 -2,-0.8 84,-0.0 1,-0.3 87,-0.0 -0.527 122.0 -19.7 65.7-115.7 5.4 16.8 85.7 113 8 B S T 3 S+ 0 0 115 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.3 0.346 117.5 103.5-103.8 3.6 6.5 17.6 89.3 114 9 B N E < -G 111 0D 48 -3,-2.7 -3,-2.8 2,-0.0 2,-0.5 -0.760 57.4-153.6 -92.2 131.6 7.8 14.1 90.1 115 10 B c E -G 110 0D 79 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.913 12.3-173.3-107.0 127.8 11.5 13.4 90.0 116 11 B Y E -G 109 0D 3 -7,-3.1 -7,-2.5 -2,-0.5 -8,-0.9 -0.938 12.2-147.3-122.9 139.6 12.8 10.0 89.3 117 12 B S > - 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