==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 31-JUL-97 1AQP . COMPND 2 MOLECULE: RIBONUCLEASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.RAMASUBBU . 124 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 1 1 0 1 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 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 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 K 0 0 264 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.5 -3.0 14.3 7.8 2 2 A E - 0 0 89 5,-0.0 2,-0.2 3,-0.0 3,-0.0 -0.900 360.0-105.4-153.4 178.7 -2.8 11.4 10.3 3 3 A T > - 0 0 88 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.688 33.6-109.2-110.0 165.4 -2.7 10.7 14.0 4 4 A A H > S+ 0 0 52 -2,-0.2 4,-1.0 2,-0.2 5,-0.1 0.848 120.4 48.2 -62.2 -35.4 0.3 9.7 16.1 5 5 A A H >> S+ 0 0 32 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.940 112.2 46.9 -69.6 -49.1 -1.1 6.2 16.5 6 6 A A H 3> S+ 0 0 40 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.759 108.6 57.4 -63.8 -26.2 -1.9 5.7 12.8 7 7 A K H 3X S+ 0 0 88 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.804 103.2 52.7 -73.0 -33.6 1.6 7.1 12.1 8 8 A F H + 0 0 6 33,-2.6 3,-0.7 -2,-0.5 36,-0.1 -0.645 6.2 160.4-143.9 81.7 3.1 -4.9 8.7 15 15 A S T 3 + 0 0 68 1,-0.2 33,-0.1 -2,-0.2 35,-0.1 0.462 62.3 80.6 -80.1 -4.9 0.5 -7.5 9.8 16 16 A S T 3 S+ 0 0 103 33,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.683 95.0 43.9 -76.9 -18.6 0.0 -8.8 6.2 17 17 A T < - 0 0 36 -3,-0.7 -3,-0.1 1,-0.1 3,-0.1 -0.959 66.9-144.3-129.2 146.6 3.2 -10.9 6.3 18 18 A S S S- 0 0 108 -2,-0.3 2,-0.3 1,-0.2 30,-0.2 0.683 88.9 -13.0 -77.9 -19.5 4.7 -13.3 9.0 19 19 A A S S- 0 0 36 28,-0.1 -1,-0.2 82,-0.0 63,-0.1 -0.955 101.9 -47.5-166.2 175.1 8.1 -12.1 7.9 20 20 A A - 0 0 26 -2,-0.3 3,-0.1 61,-0.2 81,-0.1 -0.361 45.9-146.9 -57.0 129.7 10.0 -10.2 5.2 21 21 A S S S- 0 0 84 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.553 71.1 -13.2 -80.1 -8.8 8.9 -11.6 1.8 22 22 A S S > S- 0 0 50 1,-0.0 3,-1.8 0, 0.0 4,-0.3 -0.954 76.4 -89.4-176.7 169.3 12.2 -11.1 0.1 23 23 A S T 3 S+ 0 0 108 -2,-0.3 76,-0.4 1,-0.3 3,-0.2 0.592 126.2 57.7 -67.3 -11.2 15.6 -9.5 0.4 24 24 A N T 3> S+ 0 0 66 1,-0.1 4,-2.2 2,-0.1 -1,-0.3 0.336 74.4 106.0 -99.2 4.4 14.0 -6.5 -1.3 25 25 A Y H <> S+ 0 0 3 -3,-1.8 4,-3.0 1,-0.2 5,-0.2 0.894 79.4 46.9 -50.3 -51.5 11.3 -6.2 1.3 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 5,-0.3 0.879 109.4 53.8 -62.9 -38.9 12.8 -3.1 3.0 27 27 A N H > S+ 0 0 46 70,-0.3 4,-0.9 -4,-0.2 -1,-0.2 0.914 116.1 40.3 -62.1 -39.5 13.4 -1.3 -0.4 28 28 A Q H X S+ 0 0 94 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 119.2 43.4 -74.5 -46.9 9.7 -1.9 -1.2 29 29 A M H X S+ 0 0 21 -4,-3.0 4,-2.0 2,-0.2 6,-0.2 0.868 108.9 55.2 -68.4 -43.3 8.2 -1.1 2.2 30 30 A M H <>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.2 6,-0.5 0.869 114.9 42.8 -60.1 -34.1 10.3 2.0 3.0 31 31 A K H ><5S+ 0 0 147 -4,-0.9 3,-1.7 -5,-0.3 5,-0.3 0.950 114.4 46.6 -76.8 -51.0 9.1 3.5 -0.2 32 32 A S H 3<5S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.744 109.5 55.3 -64.6 -26.0 5.4 2.5 -0.1 33 33 A R T 3<5S- 0 0 54 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.190 116.0-116.0 -91.1 13.7 5.1 3.7 3.6 34 34 A N T < 5S+ 0 0 93 -3,-1.7 3,-0.3 1,-0.1 -3,-0.2 0.796 75.9 131.5 57.0 35.9 6.4 7.1 2.5 35 35 A L S - 0 0 52 -2,-0.3 4,-1.4 1,-0.1 5,-0.2 -0.235 38.2-118.2 -64.4 154.8 -1.4 -8.3 14.8 51 51 A L H > S+ 0 0 54 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.917 114.9 57.7 -60.1 -42.9 -2.1 -4.7 16.0 52 52 A A H > S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.871 105.2 50.4 -55.7 -41.0 -3.8 -6.1 19.1 53 53 A D H 4 S+ 0 0 83 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.834 113.5 43.9 -68.3 -35.4 -0.6 -7.9 20.1 54 54 A V H >< S+ 0 0 0 -4,-1.4 3,-1.3 -3,-0.3 4,-0.3 0.893 112.1 52.7 -76.5 -38.2 1.6 -4.9 19.7 55 55 A Q H >< S+ 0 0 68 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.830 100.4 63.5 -65.2 -30.9 -0.9 -2.6 21.5 56 56 A A G >< S+ 0 0 41 -4,-1.6 3,-1.8 1,-0.3 -1,-0.3 0.693 84.1 76.9 -67.0 -19.1 -0.9 -5.1 24.3 57 57 A V G X S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.3 -1,-0.3 0.783 78.3 71.8 -63.5 -25.0 2.8 -4.3 24.9 58 58 A c G < S+ 0 0 5 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.637 99.5 48.3 -63.9 -14.1 1.7 -1.0 26.5 59 59 A S G < S+ 0 0 98 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.118 105.5 72.7-110.4 16.9 0.5 -3.2 29.5 60 60 A Q S < S- 0 0 45 -3,-2.1 2,-0.8 1,-0.2 15,-0.2 0.303 95.5 -6.2-105.4-128.9 3.8 -5.2 29.7 61 61 A K E -D 74 0B 114 13,-2.2 13,-3.0 1,-0.0 2,-0.2 -0.577 60.8-145.1 -78.3 107.2 7.3 -4.4 30.9 62 62 A N E +D 73 0B 76 -2,-0.8 2,-0.3 11,-0.2 11,-0.3 -0.468 34.1 156.3 -70.1 126.7 7.7 -0.7 31.8 63 63 A V E -D 72 0B 31 9,-2.6 9,-1.0 -2,-0.2 2,-0.2 -0.923 45.6 -86.3-142.5 167.0 11.3 0.4 31.0 64 64 A A - 0 0 61 -2,-0.3 6,-0.3 7,-0.1 2,-0.1 -0.496 41.5-123.2 -79.7 147.8 12.9 3.7 30.2 65 65 A d > - 0 0 11 4,-3.5 3,-1.9 -2,-0.2 -1,-0.1 -0.437 28.4-104.4 -81.5 164.7 12.9 5.1 26.7 66 66 A K T 3 S+ 0 0 151 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.862 121.8 56.5 -57.5 -36.2 16.1 6.0 24.8 67 67 A N T 3 S- 0 0 108 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.345 122.9-102.8 -79.4 3.5 15.3 9.7 25.4 68 68 A G S < S+ 0 0 55 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.123 83.2 124.6 98.7 -24.2 15.1 9.2 29.2 69 69 A Q - 0 0 111 -5,-0.1 -4,-3.5 1,-0.1 -1,-0.3 -0.193 56.9-140.4 -63.9 162.6 11.3 9.3 29.4 70 70 A T S S+ 0 0 84 -6,-0.3 -1,-0.1 1,-0.1 -6,-0.1 0.001 73.5 101.3-120.1 32.0 9.7 6.3 31.2 71 71 A N + 0 0 27 -9,-0.1 39,-2.6 2,-0.0 2,-0.3 0.023 58.5 113.5 -99.7 26.3 6.6 5.8 29.0 72 72 A d E -DE 63 109B 0 -9,-1.0 -9,-2.6 37,-0.2 2,-0.4 -0.750 46.4-166.0-100.4 149.0 8.3 2.9 27.2 73 73 A Y E -DE 62 108B 39 35,-2.6 35,-2.3 -2,-0.3 2,-0.3 -0.999 8.4-147.9-138.2 134.9 7.2 -0.8 27.5 74 74 A Q E -DE 61 107B 49 -13,-3.0 -13,-2.2 -2,-0.4 33,-0.2 -0.781 26.0-112.9-102.9 141.4 9.0 -4.0 26.4 75 75 A S - 0 0 2 31,-2.2 4,-0.1 -2,-0.3 -18,-0.1 -0.428 14.6-138.5 -69.9 144.9 7.2 -7.1 25.2 76 76 A Y S S+ 0 0 159 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.921 88.2 31.8 -68.9 -41.6 7.4 -10.2 27.5 77 77 A S S S- 0 0 81 1,-0.1 29,-0.4 27,-0.1 2,-0.1 -0.536 95.2 -91.3-110.0 173.6 8.0 -12.4 24.5 78 78 A T - 0 0 66 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.391 34.8-157.6 -83.7 161.1 9.7 -12.0 21.1 79 79 A M E - C 0 104A 18 25,-2.5 25,-1.7 -2,-0.1 2,-0.6 -0.942 28.5 -99.5-136.5 157.6 7.9 -10.9 17.9 80 80 A S E + C 0 103A 12 -2,-0.3 -32,-2.9 -32,-0.3 2,-0.3 -0.715 54.9 166.2 -80.7 116.7 8.7 -11.4 14.2 81 81 A I E -BC 47 102A 2 21,-2.6 21,-2.7 -2,-0.6 2,-0.5 -0.909 32.2-142.3-130.5 161.8 10.3 -8.1 13.1 82 82 A T E -BC 46 101A 0 -36,-2.2 -36,-2.3 -2,-0.3 2,-0.5 -0.992 14.3-149.5-127.7 116.8 12.2 -6.9 10.1 83 83 A D E -BC 45 100A 38 17,-3.1 17,-2.1 -2,-0.5 2,-0.6 -0.805 10.9-161.8 -86.8 126.3 15.1 -4.5 10.6 84 84 A a E +BC 44 99A 0 -40,-2.9 -40,-2.1 -2,-0.5 2,-0.4 -0.962 13.1 176.1-111.4 115.5 15.5 -2.1 7.7 85 85 A R E -BC 43 98A 145 13,-2.1 13,-3.2 -2,-0.6 -42,-0.2 -0.987 32.8-115.5-126.5 129.0 18.9 -0.4 7.5 86 86 A E E - C 0 97A 56 -44,-2.9 11,-0.3 -2,-0.4 2,-0.0 -0.274 35.3-121.7 -58.2 135.5 20.1 1.9 4.8 87 87 A T > - 0 0 58 9,-2.4 3,-0.5 1,-0.1 9,-0.2 -0.303 20.5-110.3 -76.4 162.5 23.1 0.4 2.9 88 88 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 0.734 118.1 51.8 -66.0 -21.3 26.4 2.3 2.7 89 89 A S T 3 S+ 0 0 81 2,-0.0 -1,-0.2 7,-0.0 -3,-0.0 0.684 82.5 119.9 -88.6 -18.3 25.8 2.9 -1.0 90 90 A S < + 0 0 15 -3,-0.5 2,-0.3 6,-0.2 5,-0.2 -0.138 35.0 173.1 -53.6 133.5 22.3 4.4 -0.6 91 91 A K B > -G 94 0C 141 3,-1.3 3,-1.7 -52,-0.0 -2,-0.0 -0.958 36.6 -81.0-147.2 123.4 21.9 8.0 -1.7 92 92 A Y T 3 S+ 0 0 123 -2,-0.3 -54,-0.0 1,-0.3 -53,-0.0 -0.329 114.7 28.8 -56.9 141.5 18.6 9.9 -1.9 93 93 A P T 3 S+ 0 0 95 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 -0.995 123.8 54.7 -78.3 -8.5 16.6 9.8 -4.2 94 94 A N B < S-G 91 0C 127 -3,-1.7 -3,-1.3 -54,-0.0 2,-0.2 -0.553 77.6-173.3 -91.4 74.5 17.7 6.2 -4.7 95 95 A b - 0 0 25 -2,-1.4 2,-0.4 -5,-0.2 -64,-0.1 -0.473 0.9-172.3 -70.9 130.7 17.2 4.8 -1.2 96 96 A A - 0 0 28 -2,-0.2 -9,-2.4 -9,-0.2 2,-0.3 -0.991 1.3-169.3-128.7 138.1 18.6 1.3 -0.7 97 97 A Y E -C 86 0A 10 -2,-0.4 2,-0.4 -11,-0.3 -70,-0.3 -0.943 22.9-131.4-132.8 150.1 18.1 -0.9 2.4 98 98 A K E -C 85 0A 127 -13,-3.2 -13,-2.1 -2,-0.3 2,-0.5 -0.806 28.0-142.6 -95.6 130.2 19.4 -4.2 3.9 99 99 A T E -C 84 0A 20 -2,-0.4 2,-0.5 -76,-0.4 -15,-0.2 -0.859 19.0-176.5 -98.6 126.6 16.5 -6.4 5.0 100 100 A T E -C 83 0A 60 -17,-2.1 -17,-3.1 -2,-0.5 2,-0.4 -0.976 11.1-155.2-128.9 116.0 17.1 -8.3 8.2 101 101 A Q E +C 82 0A 68 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.772 29.2 151.4 -91.3 133.6 14.5 -10.8 9.5 102 102 A A E -C 81 0A 15 -21,-2.7 -21,-2.6 -2,-0.4 2,-0.4 -0.934 44.2-127.8-152.4 173.4 14.6 -11.5 13.3 103 103 A N E +C 80 0A 103 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.933 49.8 138.8-131.2 104.8 12.6 -12.5 16.4 104 104 A K E -C 79 0A 82 -25,-1.7 -25,-2.5 -2,-0.4 2,-0.3 -0.877 55.9 -90.9-141.4 170.5 13.2 -10.1 19.2 105 105 A H - 0 0 49 -2,-0.3 19,-2.6 -27,-0.3 2,-0.3 -0.625 42.9-142.2 -80.8 144.8 11.4 -8.2 22.0 106 106 A I E - F 0 123B 0 -29,-0.4 -31,-2.2 -2,-0.3 2,-0.5 -0.805 6.6-153.1-109.7 152.7 10.1 -4.8 21.0 107 107 A I E +EF 74 122B 19 15,-2.8 14,-2.3 -2,-0.3 15,-1.7 -0.996 21.2 178.4-126.2 117.8 10.1 -1.6 23.1 108 108 A V E -EF 73 120B 0 -35,-2.3 -35,-2.6 -2,-0.5 2,-0.5 -0.872 28.6-124.5-121.1 155.3 7.5 0.9 22.2 109 109 A A E -EF 72 119B 5 10,-2.7 9,-3.2 -2,-0.3 10,-1.5 -0.866 29.8-153.5 -98.2 129.3 6.5 4.3 23.7 110 110 A c E + F 0 117B 1 -39,-2.6 2,-0.3 -2,-0.5 5,-0.1 -0.879 19.1 165.4-110.8 141.7 2.8 4.5 24.6 111 111 A E E > + F 0 116B 74 5,-2.3 5,-2.4 -2,-0.4 -53,-0.0 -0.942 31.2 16.9-146.5 165.7 0.6 7.6 24.8 112 112 A G T 5S- 0 0 47 -2,-0.3 3,-0.1 3,-0.2 6,-0.0 -0.137 85.1 -45.4 75.3-169.4 -3.0 8.7 25.0 113 113 A N T 5S+ 0 0 171 1,-0.4 2,-0.1 2,-0.1 -1,-0.1 -0.877 134.7 42.8-146.0 106.7 -6.3 7.2 26.0 114 114 A P T 5S- 0 0 106 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.441 109.0-133.1 -63.2 141.0 -6.6 4.7 24.7 115 115 A Y T 5 + 0 0 93 -2,-0.1 -3,-0.2 -5,-0.1 -57,-0.1 -0.632 45.1 160.0 -69.9 107.3 -2.9 4.2 25.7 116 116 A V E < -F 111 0B 25 -5,-2.4 -5,-2.3 -2,-0.8 2,-0.2 -0.894 47.7 -83.2-132.9 160.7 -1.4 2.9 22.5 117 117 A P E +F 110 0B 5 0, 0.0 -7,-0.3 0, 0.0 -109,-0.2 -0.480 46.9 161.8 -67.1 127.7 2.1 2.6 20.9 118 118 A V E + 0 0 12 -9,-3.2 2,-0.3 1,-0.3 -8,-0.2 0.618 62.3 34.6-116.8 -28.1 3.0 5.8 19.2 119 119 A H E -F 109 0B 102 -10,-1.5 -10,-2.7 -111,-0.0 2,-0.7 -0.967 69.0-134.9-133.2 146.5 6.8 5.5 18.9 120 120 A F E +F 108 0B 28 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.906 24.5 177.3-100.7 117.2 9.1 2.5 18.2 121 121 A D E - 0 0 22 -14,-2.3 2,-0.3 -2,-0.7 -13,-0.2 0.899 50.4 -54.0 -87.9 -45.5 12.0 2.7 20.6 122 122 A A E -F 107 0B 33 -15,-1.7 -15,-2.8 -77,-0.0 2,-0.4 -0.981 37.1-114.2-179.5 174.6 14.0 -0.5 19.9 123 123 A S E F 106 0B 36 -2,-0.3 -17,-0.2 -17,-0.2 -49,-0.0 -0.976 360.0 360.0-127.1 138.9 14.2 -4.2 19.6 124 124 A V 0 0 98 -19,-2.6 -18,-0.1 -2,-0.4 -1,-0.1 0.639 360.0 360.0-129.5 360.0 16.2 -6.3 22.0