==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-98 3BU4 . COMPND 2 MOLECULE: PROTEIN (RIBONUCLEASE T1); . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR R.LORIS,S.DEVOS,U.LANGHORST,K.DECANNIERE,J.BOUCKAERT,D.MAES, . 104 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 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 . 26 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 1.0 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 0 151 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 160.0 5.7 6.1 29.9 2 2 A a - 0 0 48 1,-0.1 10,-0.2 10,-0.1 3,-0.2 -0.671 360.0-158.9 -91.4 137.2 7.3 7.7 26.8 3 3 A D S S+ 0 0 92 8,-2.1 2,-0.3 1,-0.4 9,-0.2 0.770 92.4 17.1 -77.6 -31.7 6.6 6.4 23.4 4 4 A Y E S-A 11 0A 64 7,-1.9 7,-2.6 -3,-0.1 2,-0.5 -0.988 71.2-162.8-139.9 133.3 9.8 8.2 22.3 5 5 A T E -A 10 0A 45 -2,-0.3 99,-1.8 5,-0.2 2,-0.8 -0.957 4.1-174.2-122.6 114.0 12.5 9.5 24.6 6 6 A b E > -A 9 0A 1 3,-2.3 3,-2.5 -2,-0.5 2,-0.6 -0.853 68.9 -59.7-107.7 94.9 15.0 12.1 23.2 7 7 A G T 3 S- 0 0 46 -2,-0.8 97,-0.1 1,-0.3 84,-0.0 -0.554 121.7 -19.8 67.8-114.0 17.6 12.6 25.9 8 8 A S T 3 S+ 0 0 116 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.3 0.399 114.9 106.1-105.8 3.5 15.3 13.8 28.8 9 9 A N E < -A 6 0A 43 -3,-2.5 -3,-2.3 -7,-0.0 2,-0.5 -0.690 57.5-152.4 -87.1 134.6 12.4 14.9 26.6 10 10 A a E -A 5 0A 70 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.907 14.5-177.3-110.4 127.6 9.4 12.6 26.7 11 11 A Y E -A 4 0A 5 -7,-2.6 -8,-2.1 -2,-0.5 -7,-1.9 -0.973 13.9-152.5-128.0 144.0 7.0 12.3 23.8 12 12 A S > - 0 0 36 -2,-0.4 4,-1.8 -10,-0.2 3,-0.2 -0.580 38.0-104.3-101.2 167.3 3.8 10.4 23.2 13 13 A S H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.821 122.9 57.2 -61.2 -33.5 2.5 9.2 19.8 14 14 A S H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 103.6 52.9 -65.1 -37.7 -0.0 12.0 19.8 15 15 A D H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.923 112.6 45.6 -60.5 -46.4 2.8 14.6 20.3 16 16 A V H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.927 111.9 49.6 -64.9 -44.9 4.5 13.1 17.2 17 17 A S H X S+ 0 0 69 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.891 111.6 50.5 -59.9 -45.5 1.3 12.9 15.1 18 18 A T H X S+ 0 0 80 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.932 113.8 42.6 -59.2 -48.4 0.6 16.6 15.9 19 19 A A H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.932 114.0 52.9 -65.5 -44.9 4.1 17.8 15.0 20 20 A Q H X S+ 0 0 20 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.881 106.2 52.2 -57.3 -44.6 4.2 15.6 11.9 21 21 A A H X S+ 0 0 57 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.869 110.1 49.2 -60.9 -40.8 0.8 17.0 10.6 22 22 A A H X S+ 0 0 22 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.933 114.1 45.1 -64.7 -47.9 2.0 20.6 10.9 23 23 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.895 112.7 50.1 -63.6 -43.9 5.3 19.9 9.1 24 24 A Y H X S+ 0 0 39 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.871 106.6 55.6 -63.3 -37.2 3.7 17.9 6.4 25 25 A K H X S+ 0 0 138 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.927 109.8 46.4 -62.7 -43.9 1.1 20.7 5.8 26 26 A L H X>S+ 0 0 33 -4,-1.7 5,-2.3 1,-0.2 4,-0.8 0.903 111.4 51.5 -61.7 -44.0 3.9 23.2 5.2 27 27 A H H ><5S+ 0 0 42 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.890 109.9 49.6 -59.3 -46.2 5.8 20.8 2.9 28 28 A E H 3<5S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.8 44.9 -62.9 -38.3 2.7 20.3 0.8 29 29 A D H 3<5S- 0 0 92 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.479 110.9-120.5 -81.9 -9.3 2.1 24.0 0.5 30 30 A G T <<5 + 0 0 67 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.858 68.6 128.8 72.3 35.7 5.7 24.8 -0.2 31 31 A E < - 0 0 110 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.876 38.8-160.3-122.2 156.1 6.2 27.1 2.7 32 32 A T - 0 0 77 -2,-0.3 2,-0.3 -3,-0.1 5,-0.0 -0.858 3.0-154.5-132.8 164.0 8.8 27.2 5.5 33 33 A V B > +B 38 0B 41 5,-2.3 5,-2.5 -2,-0.3 37,-0.2 -0.990 53.1 24.1-137.6 149.6 9.2 28.6 9.0 34 34 A G T > 5S- 0 0 31 -2,-0.3 3,-1.2 35,-0.3 38,-0.1 0.016 92.0 -74.3 83.8 165.4 12.2 29.7 11.1 35 35 A S T 3 5S+ 0 0 124 1,-0.3 -1,-0.2 36,-0.1 37,-0.1 0.760 131.3 53.4 -69.4 -25.6 15.7 30.7 10.1 36 36 A N T 3 5S- 0 0 100 -3,-0.1 -1,-0.3 4,-0.0 -2,-0.1 0.297 113.4-120.5 -92.7 7.3 16.7 27.1 9.2 37 37 A S T < 5 - 0 0 54 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.954 38.6-128.0 52.8 66.6 13.7 26.9 6.9 38 38 A Y B + 0 0 31 1,-0.1 3,-1.1 2,-0.1 -1,-0.1 0.906 42.9 162.9 57.8 46.1 20.1 10.7 6.4 45 45 A Y T 3 S+ 0 0 195 1,-0.3 -1,-0.1 2,-0.1 54,-0.0 0.805 71.6 65.2 -61.2 -29.2 23.9 11.1 6.6 46 46 A E T 3 S- 0 0 57 1,-0.1 -1,-0.3 55,-0.0 -2,-0.1 0.782 104.7-130.9 -63.9 -30.7 23.6 8.9 9.7 47 47 A G < - 0 0 50 -3,-1.1 -2,-0.1 1,-0.2 -1,-0.1 0.785 34.9-176.7 82.6 28.9 22.4 5.9 7.7 48 48 A F - 0 0 34 1,-0.1 2,-1.4 53,-0.0 -1,-0.2 -0.264 32.4-121.1 -59.8 146.6 19.4 5.1 9.8 49 49 A D + 0 0 162 2,-0.0 2,-0.1 0, 0.0 -1,-0.1 -0.465 40.9 176.9 -87.7 59.9 17.5 1.9 8.8 50 50 A F - 0 0 24 -2,-1.4 38,-0.1 1,-0.1 4,-0.1 -0.457 26.4-146.8 -65.3 137.3 14.1 3.7 8.3 51 51 A S S S+ 0 0 134 36,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.418 77.4 75.5 -86.9 2.4 11.5 1.1 7.0 52 52 A V S S- 0 0 18 35,-0.1 -2,-0.1 33,-0.1 2,-0.1 -0.854 89.6-100.8-113.6 148.4 9.8 3.8 4.9 53 53 A S - 0 0 78 -2,-0.3 29,-0.3 1,-0.1 32,-0.1 -0.342 47.3 -87.4 -73.8 148.8 11.1 5.1 1.5 54 54 A S S S+ 0 0 78 27,-0.1 2,-0.2 -4,-0.1 -1,-0.1 -0.260 80.1 88.6 -73.3 172.8 12.9 8.5 1.0 55 55 A P - 0 0 50 0, 0.0 27,-1.0 0, 0.0 2,-0.3 0.507 64.1-167.1 -73.7 158.2 12.9 11.4 0.4 56 56 A Y E -CD 42 81C 26 -14,-0.5 -14,-2.3 25,-0.2 2,-0.3 -0.834 10.1-157.1-114.6 152.9 12.7 12.4 4.1 57 57 A Y E -CD 41 80C 24 23,-2.4 23,-2.1 -2,-0.3 2,-0.3 -0.967 10.6-139.0-130.4 142.1 11.9 15.8 5.7 58 58 A E E +CD 40 79C 18 -18,-2.9 -18,-1.2 -2,-0.3 21,-0.2 -0.832 21.9 172.3 -99.1 149.7 12.9 17.1 9.2 59 59 A W E - D 0 78C 3 19,-1.5 19,-3.2 -2,-0.3 -36,-0.1 -0.968 34.9-109.8-157.3 125.7 10.5 19.1 11.4 60 60 A P E - D 0 77C 1 0, 0.0 8,-0.5 0, 0.0 2,-0.4 -0.290 21.7-158.1 -62.0 143.7 11.1 20.1 15.0 61 61 A I - 0 0 7 15,-1.6 2,-0.4 12,-0.3 15,-0.4 -0.994 17.9-144.6-118.8 130.6 9.1 18.5 17.8 62 62 A L > - 0 0 39 4,-0.6 3,-1.6 -2,-0.4 12,-0.1 -0.828 16.8-143.0-106.1 139.8 9.1 20.6 21.0 63 63 A S T 3 S+ 0 0 84 -2,-0.4 -53,-0.1 1,-0.3 -1,-0.1 0.621 100.0 70.5 -68.6 -15.8 9.1 19.5 24.6 64 64 A S T 3 S- 0 0 76 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.720 109.5-122.9 -70.5 -23.7 6.8 22.4 25.4 65 65 A G S < S+ 0 0 53 -3,-1.6 2,-0.2 1,-0.4 -2,-0.1 0.550 72.5 122.5 93.1 2.9 4.1 20.6 23.5 66 66 A D S S- 0 0 115 1,-0.0 -4,-0.6 -4,-0.0 -1,-0.4 -0.672 70.1-106.2 -93.3 160.8 3.5 23.5 21.2 67 67 A V - 0 0 65 -2,-0.2 -6,-0.1 -3,-0.1 2,-0.1 -0.661 46.2 -97.7 -84.7 139.0 3.9 23.2 17.4 68 68 A Y + 0 0 9 -8,-0.5 -1,-0.1 -2,-0.3 3,-0.1 -0.344 49.4 163.5 -57.8 134.0 7.1 24.9 16.1 69 69 A S - 0 0 108 1,-0.6 -35,-0.3 -2,-0.1 2,-0.2 0.254 60.4 -60.0-137.6 13.2 6.5 28.4 14.7 70 70 A G S S+ 0 0 29 -37,-0.2 -1,-0.6 1,-0.1 2,-0.1 -0.590 91.6 71.3 126.0 168.3 10.0 29.9 14.6 71 71 A G S S+ 0 0 57 -2,-0.2 -1,-0.1 -3,-0.1 -36,-0.1 -0.413 97.1 2.6 83.6-168.4 12.8 30.6 16.9 72 72 A S - 0 0 106 1,-0.1 -2,-0.1 -2,-0.1 -38,-0.0 -0.250 58.2-159.2 -56.0 128.5 15.0 27.9 18.5 73 73 A P - 0 0 19 0, 0.0 3,-0.3 0, 0.0 -12,-0.3 0.492 27.9-141.0 -87.4 -5.4 14.0 24.5 17.2 74 74 A G - 0 0 44 1,-0.2 -12,-0.1 -14,-0.1 17,-0.0 -0.251 37.3 -67.6 74.4-163.7 15.5 22.6 20.2 75 75 A A S S+ 0 0 26 -69,-0.1 17,-1.8 -14,-0.1 2,-0.3 0.553 102.4 88.6-103.4 -7.5 17.4 19.3 19.5 76 76 A D E + E 0 91C 2 -15,-0.4 -15,-1.6 -3,-0.3 2,-0.3 -0.724 47.8 178.8-102.9 145.1 14.5 17.0 18.5 77 77 A R E -DE 60 90C 8 13,-2.7 13,-2.1 -2,-0.3 2,-0.5 -0.968 24.4-138.5-141.1 153.0 12.9 16.3 15.1 78 78 A V E -DE 59 89C 0 -19,-3.2 -19,-1.5 -2,-0.3 2,-0.5 -0.923 21.8-151.4-109.8 129.0 10.2 14.2 13.5 79 79 A V E +DE 58 88C 0 9,-2.8 8,-3.3 -2,-0.5 9,-1.5 -0.948 23.4 165.6-102.3 119.4 11.3 12.7 10.2 80 80 A F E -DE 57 86C 0 -23,-2.1 -23,-2.4 -2,-0.5 6,-0.2 -0.829 22.8-131.2-127.5 169.3 8.4 12.0 7.6 81 81 A N E > -D 56 0C 1 4,-1.4 3,-2.4 -2,-0.3 -25,-0.2 -0.554 39.7 -81.0-115.9-176.2 8.4 11.1 4.0 82 82 A E T 3 S+ 0 0 74 -27,-1.0 -26,-0.1 1,-0.3 -28,-0.1 0.802 128.7 50.6 -52.2 -31.3 6.7 12.3 0.8 83 83 A N T 3 S- 0 0 110 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.212 119.4-106.4 -94.3 15.0 3.6 10.2 1.7 84 84 A N S < S+ 0 0 61 -3,-2.4 2,-0.5 1,-0.2 -2,-0.1 0.915 70.8 148.5 60.6 39.8 3.3 11.6 5.3 85 85 A Q - 0 0 86 -32,-0.1 -4,-1.4 -4,-0.1 2,-0.3 -0.933 52.6-117.6-104.8 130.8 4.7 8.3 6.7 86 86 A L E +E 80 0C 56 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.541 30.4 179.8 -69.4 126.4 6.6 8.7 10.0 87 87 A A E - 0 0 18 -8,-3.3 -36,-0.3 1,-0.4 2,-0.3 0.776 56.9 -66.5 -93.9 -37.8 10.2 7.5 9.4 88 88 A G E -E 79 0C 7 -9,-1.5 -9,-2.8 -38,-0.1 2,-0.5 -0.975 39.1 -92.3 168.3 178.1 11.3 8.2 12.9 89 89 A V E +E 78 0C 3 -2,-0.3 14,-2.8 14,-0.2 2,-0.3 -0.989 43.4 178.0-122.2 123.7 12.1 10.6 15.8 90 90 A I E -EF 77 102C 0 -13,-2.1 -13,-2.7 -2,-0.5 2,-0.3 -0.853 10.0-162.6-126.9 164.0 15.7 11.8 16.1 91 91 A T E -EF 76 101C 3 10,-2.7 10,-2.2 -2,-0.3 -15,-0.2 -0.982 30.1-143.5-149.5 151.2 17.7 14.1 18.3 92 92 A H S > S+ 0 0 41 -17,-1.8 3,-2.1 -2,-0.3 7,-0.1 0.662 76.7 106.8 -79.3 -22.2 21.0 16.1 18.5 93 93 A T T 3 S+ 0 0 61 1,-0.3 -86,-0.2 -18,-0.2 8,-0.1 -0.389 88.7 12.7 -61.5 127.8 21.0 15.3 22.3 94 94 A G T 3 S+ 0 0 81 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.488 108.7 101.8 83.7 0.6 23.7 12.6 23.1 95 95 A A S < S- 0 0 21 -3,-2.1 -1,-0.3 4,-0.2 6,-0.1 -0.923 76.9-108.7-117.4 144.8 25.3 13.0 19.6 96 96 A S S > S- 0 0 91 -2,-0.4 3,-2.4 4,-0.1 -3,-0.0 -0.400 74.7 -28.9 -72.2 150.7 28.5 14.9 18.9 97 97 A G T 3 S- 0 0 70 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 -0.153 127.0 -21.3 47.3-126.5 28.4 18.2 17.0 98 98 A N T 3 S+ 0 0 136 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.179 104.8 118.9-100.9 18.0 25.5 18.3 14.6 99 99 A N < - 0 0 82 -3,-2.4 2,-0.3 -7,-0.1 -4,-0.2 -0.172 53.1-134.1 -74.8 172.1 25.0 14.6 14.3 100 100 A F - 0 0 16 -6,-0.1 2,-0.3 -10,-0.0 -8,-0.2 -0.923 14.1-168.1-128.0 155.5 21.7 12.7 15.3 101 101 A V E -F 91 0C 58 -10,-2.2 -10,-2.7 -2,-0.3 2,-0.2 -0.899 36.7 -97.3-133.8 157.8 20.9 9.6 17.2 102 102 A E E -F 90 0C 102 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.530 32.8-117.7 -77.7 146.9 17.4 8.0 17.3 103 103 A b 0 0 11 -14,-2.8 -14,-0.2 -2,-0.2 -97,-0.2 -0.653 360.0 360.0 -80.2 138.9 15.1 8.6 20.2 104 104 A T 0 0 137 -99,-1.8 -98,-0.1 -2,-0.3 -1,-0.1 0.656 360.0 360.0 -88.0 360.0 14.4 5.4 22.1