==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ENDORIBONUCLEASE) 15-SEP-92 2AAD . COMPND 2 MOLECULE: RIBONUCLEASE T1 ISOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR I.ZEGERS,P.VERHELST,C.W.CHOE,J.STEYAERT,U.HEINEMANN,L.WYNS, . 208 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 55.8 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 . 55 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 0.5 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 . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 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 . 3 2 4 0 3 1 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 1 A A 0 0 149 0, 0.0 2,-0.4 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 173.2 65.8 17.6 14.9 2 2 A a - 0 0 51 1,-0.1 10,-0.2 10,-0.1 3,-0.2 -0.893 360.0-162.5-107.4 136.0 62.7 19.0 13.2 3 3 A D S S+ 0 0 89 8,-2.4 2,-0.3 -2,-0.4 9,-0.2 0.809 92.4 11.5 -78.0 -33.0 59.1 18.0 13.7 4 4 A Y E S-A 11 0A 66 7,-1.9 7,-2.3 2,-0.0 2,-0.5 -0.979 71.9-160.0-140.3 134.3 58.1 19.7 10.4 5 5 A T E -A 10 0A 49 99,-1.8 99,-2.4 -2,-0.3 2,-0.7 -0.988 5.5-173.8-125.7 122.8 60.6 21.0 7.8 6 6 A b E > -A 9 0A 0 3,-3.2 3,-2.8 -2,-0.5 2,-0.6 -0.860 65.8 -62.4-120.5 90.3 59.3 23.6 5.4 7 7 A G T 3 S- 0 0 49 -2,-0.7 97,-0.1 1,-0.3 84,-0.0 -0.573 123.4 -14.3 70.4-112.8 62.1 24.2 2.9 8 8 A S T 3 S+ 0 0 120 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.3 0.507 115.2 106.4 -97.5 -7.7 64.8 25.5 5.1 9 9 A N E < -A 6 0A 47 -3,-2.8 -3,-3.2 -7,-0.0 2,-0.4 -0.695 54.5-156.4 -86.2 133.9 62.5 26.2 8.1 10 10 A a E -A 5 0A 65 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.882 13.3-175.8-103.7 120.6 62.7 23.9 11.1 11 11 A Y E -A 4 0A 4 -7,-2.3 -8,-2.4 -2,-0.4 -7,-1.9 -0.980 13.6-152.7-129.7 140.7 59.7 23.7 13.4 12 12 A S > - 0 0 36 -2,-0.4 4,-1.9 -10,-0.2 3,-0.3 -0.560 37.0-105.3 -97.6 165.5 59.2 21.8 16.6 13 13 A S H > S+ 0 0 57 1,-0.2 4,-2.7 -2,-0.2 5,-0.1 0.925 122.0 58.7 -59.0 -43.1 55.8 20.6 17.8 14 14 A S H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.830 103.5 52.2 -59.6 -32.3 55.8 23.5 20.3 15 15 A D H > S+ 0 0 53 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.928 110.1 46.0 -65.5 -49.5 56.1 25.9 17.5 16 16 A V H X S+ 0 0 4 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.907 112.7 53.0 -58.9 -48.8 53.2 24.5 15.6 17 17 A S H X S+ 0 0 71 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.787 109.5 47.0 -56.3 -43.2 51.1 24.5 18.8 18 18 A T H X S+ 0 0 78 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.867 114.9 45.1 -69.5 -39.2 51.8 28.1 19.6 19 19 A A H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.973 113.8 50.4 -64.8 -55.4 51.0 29.4 16.1 20 20 A Q H X S+ 0 0 21 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.814 107.6 53.0 -51.6 -47.9 47.8 27.2 15.9 21 21 A A H X S+ 0 0 59 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.820 111.3 47.8 -60.3 -35.6 46.6 28.5 19.4 22 22 A A H X S+ 0 0 24 -4,-1.2 4,-1.6 -3,-0.4 -2,-0.2 0.928 111.9 48.4 -68.7 -44.7 47.0 32.1 18.1 23 23 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.871 112.6 47.8 -64.6 -42.2 45.2 31.4 14.8 24 24 A Y H X S+ 0 0 12 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.886 107.4 55.2 -67.3 -39.9 42.2 29.7 16.4 25 25 A K H X S+ 0 0 118 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.900 112.5 42.4 -57.8 -46.6 41.7 32.3 19.0 26 26 A L H X>S+ 0 0 32 -4,-1.6 5,-1.8 2,-0.2 4,-1.2 0.898 110.5 57.5 -66.2 -40.9 41.5 35.0 16.4 27 27 A H H ><5S+ 0 0 43 -4,-2.5 3,-0.6 1,-0.3 -2,-0.2 0.884 108.6 48.1 -55.0 -47.0 39.3 32.6 14.3 28 28 A E H 3<5S+ 0 0 85 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.730 110.1 48.9 -65.2 -32.5 37.0 32.5 17.3 29 29 A D H 3<5S- 0 0 81 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.511 109.2-120.1 -82.1 -10.1 36.8 36.2 17.9 30 30 A G T <<5 + 0 0 72 -4,-1.2 2,-0.3 -3,-0.6 -3,-0.2 0.823 67.9 134.4 75.5 33.9 36.0 36.9 14.3 31 31 A E < - 0 0 105 -5,-1.8 -1,-0.3 -6,-0.1 2,-0.3 -0.809 39.6-153.1-116.1 158.3 39.1 39.1 13.9 32 32 A T - 0 0 80 -2,-0.3 2,-0.4 -3,-0.1 8,-0.1 -0.834 0.6-154.0-125.4 159.3 41.9 39.3 11.2 33 33 A V B > +B 38 0B 39 5,-1.9 5,-2.2 -2,-0.3 3,-0.2 -0.999 52.3 8.7-144.1 138.4 45.5 40.3 11.1 34 34 A G T > 5S- 0 0 31 -2,-0.4 3,-1.3 35,-0.3 4,-0.1 -0.050 92.2 -67.5 83.1 171.9 47.7 41.6 8.3 35 35 A S T 3 5S+ 0 0 121 1,-0.3 -1,-0.2 36,-0.2 37,-0.1 0.603 131.9 53.0 -67.5 -19.1 47.0 42.7 4.8 36 36 A N T 3 5S- 0 0 79 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.162 111.1-120.7-101.4 17.1 46.1 39.2 3.7 37 37 A S T < 5 - 0 0 56 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.951 37.9-134.6 43.2 82.5 43.5 38.8 6.5 38 38 A Y B + 0 0 33 2,-0.1 3,-1.4 1,-0.1 -2,-0.0 0.883 45.1 159.8 65.7 42.8 42.3 22.6 -0.4 45 45 A Y T 3 S+ 0 0 188 1,-0.3 -1,-0.1 2,-0.1 54,-0.0 0.937 74.1 59.7 -56.3 -34.0 42.8 23.3 -4.0 46 46 A E T 3 S- 0 0 52 1,-0.1 -1,-0.3 55,-0.0 -2,-0.1 0.713 103.7-134.6 -62.3 -28.2 45.8 20.9 -3.7 47 47 A G < + 0 0 57 -3,-1.4 -2,-0.1 1,-0.2 2,-0.1 0.856 34.7 177.5 71.5 38.1 43.6 18.1 -2.6 48 48 A F - 0 0 40 1,-0.1 2,-1.2 53,-0.0 -1,-0.2 -0.401 35.4-119.0 -73.2 149.6 45.8 16.9 0.3 49 49 A D - 0 0 157 -2,-0.1 -1,-0.1 2,-0.0 2,-0.0 -0.620 37.4-170.8 -92.3 73.3 44.3 14.0 2.3 50 50 A F - 0 0 21 -2,-1.2 4,-0.1 1,-0.1 38,-0.1 -0.391 23.4-141.6 -67.5 147.6 44.0 15.6 5.7 51 51 A S S S+ 0 0 130 36,-0.4 2,-0.2 2,-0.1 -1,-0.1 0.527 82.4 66.8 -88.0 -9.7 43.1 13.3 8.6 52 52 A V S S- 0 0 26 35,-0.1 2,-0.2 33,-0.1 -2,-0.1 -0.706 91.8 -96.0-109.6 159.3 40.8 15.9 10.2 53 53 A S - 0 0 73 -2,-0.2 29,-0.3 1,-0.1 30,-0.2 -0.479 47.9 -88.6 -84.5 151.1 37.5 17.3 8.9 54 54 A S S S+ 0 0 74 -2,-0.2 2,-0.1 27,-0.1 27,-0.1 -0.247 80.7 87.7 -73.3 161.6 37.0 20.4 6.9 55 55 A P - 0 0 41 0, 0.0 27,-0.8 0, 0.0 2,-0.3 0.548 65.5-165.0 -73.6 158.8 36.4 23.4 7.0 56 56 A Y E -CD 42 81C 21 -14,-0.6 -14,-3.2 25,-0.2 2,-0.3 -0.884 12.5-162.6-119.1 142.4 40.1 24.4 7.2 57 57 A Y E -CD 41 80C 36 23,-2.5 23,-2.5 -2,-0.3 2,-0.4 -0.948 10.0-146.4-128.4 141.1 41.7 27.8 8.2 58 58 A E E +CD 40 79C 19 -18,-2.6 -18,-1.6 -2,-0.3 21,-0.2 -0.877 17.7 173.6-118.1 143.8 45.3 28.8 7.5 59 59 A W E - D 0 78C 4 19,-2.0 19,-3.3 -2,-0.4 2,-0.1 -0.982 36.8-102.5-139.6 138.3 47.5 31.0 9.7 60 60 A P E - D 0 77C 1 0, 0.0 8,-0.5 0, 0.0 2,-0.5 -0.336 22.9-157.4 -72.3 145.5 51.2 31.8 9.2 61 61 A I E - D 0 76C 6 15,-1.3 15,-0.5 12,-0.2 2,-0.4 -0.980 20.3-141.5-116.6 130.8 53.9 30.1 11.2 62 62 A L > - 0 0 34 4,-0.6 3,-1.4 -2,-0.5 12,-0.1 -0.748 13.3-136.4-105.8 141.6 57.1 32.2 11.2 63 63 A S T 3 S+ 0 0 84 -2,-0.4 -53,-0.1 1,-0.3 -1,-0.1 0.839 103.8 63.0 -62.9 -27.8 60.7 30.9 11.1 64 64 A S T 3 S- 0 0 78 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.645 110.1-120.3 -70.5 -20.1 61.7 33.3 13.9 65 65 A G S < S+ 0 0 44 -3,-1.4 -2,-0.1 1,-0.4 -1,-0.1 0.233 71.7 131.9 95.8 -10.5 59.4 31.7 16.3 66 66 A D - 0 0 118 1,-0.1 -4,-0.6 -5,-0.0 2,-0.4 -0.402 65.5-108.9 -74.2 158.4 57.5 34.9 16.7 67 67 A V - 0 0 66 -3,-0.1 -6,-0.1 -6,-0.1 -1,-0.1 -0.766 41.7-103.5 -85.1 132.1 53.8 34.9 16.5 68 68 A Y + 0 0 10 -8,-0.5 3,-0.1 -2,-0.4 -1,-0.1 -0.298 51.4 157.0 -59.5 136.8 52.5 36.6 13.3 69 69 A S - 0 0 105 1,-0.5 -35,-0.3 -36,-0.0 2,-0.2 0.200 60.8 -48.2-141.8 8.9 51.2 40.1 13.9 70 70 A G S S+ 0 0 33 -37,-0.2 -1,-0.5 1,-0.1 2,-0.1 -0.684 93.2 56.1 138.0 168.3 51.4 41.8 10.6 71 71 A G S S+ 0 0 58 -2,-0.2 -36,-0.2 -3,-0.1 -1,-0.1 -0.384 100.0 15.6 76.0-151.1 53.7 42.5 7.7 72 72 A S - 0 0 96 1,-0.2 -2,-0.1 -2,-0.1 3,-0.1 -0.403 56.2-165.5 -54.2 122.3 55.3 39.7 5.8 73 73 A P - 0 0 20 0, 0.0 3,-0.4 0, 0.0 -12,-0.2 0.563 29.9-144.3 -83.2 -12.2 53.6 36.3 6.5 74 74 A G - 0 0 41 1,-0.2 -12,-0.1 -14,-0.1 18,-0.0 -0.381 34.5 -70.4 76.8-166.7 56.5 34.4 5.0 75 75 A A S S+ 0 0 26 -69,-0.1 17,-2.2 -14,-0.1 2,-0.3 0.561 100.1 93.0-103.8 -9.9 55.7 31.1 3.1 76 76 A D E -DE 61 91C 2 -15,-0.5 -15,-1.3 -3,-0.4 2,-0.3 -0.720 47.9-177.0 -95.0 141.9 54.7 28.8 5.8 77 77 A R E -DE 60 90C 6 13,-2.4 13,-2.9 -2,-0.3 2,-0.4 -0.991 21.6-144.5-140.5 146.0 51.2 28.1 7.1 78 78 A V E -DE 59 89C 0 -19,-3.3 -19,-2.0 -2,-0.3 2,-0.5 -0.923 22.2-151.7-104.9 129.9 49.6 26.0 9.9 79 79 A V E +DE 58 88C 0 9,-2.8 8,-3.6 -2,-0.4 9,-1.3 -0.944 23.6 164.9-110.4 115.9 46.2 24.5 8.8 80 80 A F E -DE 57 86C 0 -23,-2.5 -23,-2.5 -2,-0.5 6,-0.2 -0.811 21.1-137.6-126.2 168.5 43.5 23.9 11.5 81 81 A N E > -D 56 0C 2 4,-1.6 3,-1.7 -2,-0.3 -25,-0.2 -0.506 40.4 -78.8-114.2-169.7 39.8 23.1 11.6 82 82 A E T 3 S+ 0 0 43 -27,-0.8 -26,-0.1 -29,-0.3 -28,-0.1 0.691 127.7 50.9 -58.6 -25.5 36.7 24.1 13.6 83 83 A N T 3 S- 0 0 41 -30,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.311 118.1-109.5 -98.1 2.9 37.6 21.8 16.5 84 84 A N < + 0 0 55 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.909 67.4 151.4 63.8 43.0 41.2 23.2 16.7 85 85 A Q - 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