==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-99 1CJR . COMPND 2 MOLECULE: PROTEIN (RIBONUCLEASE S); . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR G.S.RATNAPARKHI,R.VARADARAJAN . 116 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 13 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 0 220 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -98.9 -13.9 8.3 16.9 2 2 A E - 0 0 66 1,-0.0 2,-0.1 2,-0.0 5,-0.0 -0.807 360.0-100.5-122.1 155.9 -14.0 4.5 17.7 3 3 A T > - 0 0 97 -2,-0.3 4,-2.3 1,-0.1 3,-0.5 -0.415 31.8-109.7 -76.6 162.1 -11.2 2.2 18.4 4 4 A A H > S+ 0 0 42 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.815 119.6 51.2 -60.4 -33.3 -9.7 -0.2 15.9 5 5 A A H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.863 111.2 48.9 -75.7 -29.8 -11.1 -3.2 17.6 6 6 A A H > S+ 0 0 30 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.889 111.4 48.5 -72.5 -42.7 -14.6 -1.6 17.6 7 7 A K H X S+ 0 0 55 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.901 109.5 54.1 -64.4 -41.8 -14.4 -0.6 13.8 8 8 A F H X S+ 0 0 3 -4,-2.0 4,-3.6 1,-0.2 5,-0.5 0.930 109.8 46.4 -58.8 -48.2 -13.2 -4.2 13.0 9 9 A E H X S+ 0 0 64 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.830 114.2 47.6 -61.2 -41.1 -16.3 -5.6 14.8 10 10 A R H < S+ 0 0 57 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.836 120.8 38.6 -69.4 -35.5 -18.7 -3.1 13.1 11 11 A Q H < S+ 0 0 16 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.876 130.6 21.6 -87.1 -35.6 -17.1 -3.8 9.7 12 12 A H H < S+ 0 0 18 -4,-3.6 28,-3.2 -5,-0.3 2,-0.4 0.685 95.6 95.4-110.1 -17.2 -16.5 -7.5 9.8 13 13 A M B < +a 40 0A 11 -4,-1.4 28,-0.1 -5,-0.5 30,-0.1 -0.583 25.0 150.6 -87.1 132.9 -18.8 -9.2 12.5 14 14 A D 0 0 29 26,-2.3 29,-0.1 -2,-0.4 -1,-0.1 -0.397 360.0 360.0-154.9 69.8 -22.0 -10.7 11.7 15 15 A S 0 0 120 26,-0.2 28,-0.1 27,-0.0 26,-0.1 0.807 360.0 360.0 -60.7 360.0 -22.6 -13.5 14.1 16 !* 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 17 24 B N > 0 0 98 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 168.3 -28.7 -8.3 -1.9 18 25 B Y H > + 0 0 72 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.879 360.0 53.3 -53.2 -40.1 -27.2 -9.0 1.5 19 26 B a H > S+ 0 0 0 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.942 110.4 45.3 -70.7 -33.8 -24.0 -7.3 0.7 20 27 B N H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.973 118.4 45.6 -69.5 -40.9 -25.8 -4.0 -0.3 21 28 B Q H X S+ 0 0 108 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.929 116.6 42.0 -67.3 -50.6 -27.9 -4.3 2.7 22 29 B M H X S+ 0 0 36 -4,-3.7 4,-2.2 1,-0.2 6,-0.2 0.866 114.2 51.5 -65.7 -38.3 -25.1 -5.1 5.2 23 30 B M H <>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.3 6,-1.3 0.890 112.8 46.9 -68.0 -34.6 -22.7 -2.5 3.7 24 31 B K H ><5S+ 0 0 101 -4,-2.1 3,-2.5 -5,-0.3 5,-0.3 0.999 112.6 49.7 -63.6 -63.3 -25.5 0.0 4.0 25 32 B S H 3<5S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.741 109.5 48.8 -42.2 -50.0 -26.3 -1.0 7.7 26 33 B R T 3<5S- 0 0 62 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.301 115.6-109.1 -80.5 5.5 -22.8 -0.9 9.0 27 34 B N T < 5S+ 0 0 54 -3,-2.5 -3,-0.2 -4,-0.1 4,-0.2 0.820 83.2 125.3 70.9 32.4 -22.0 2.6 7.5 28 35 B L S - 0 0 47 -2,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.370 36.4-122.1 -69.2 149.1 -19.4 -15.5 17.4 44 51 B L H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.895 112.4 57.5 -59.4 -36.5 -17.1 -12.6 18.3 45 52 B A H > S+ 0 0 64 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.861 106.2 49.3 -61.3 -39.2 -15.6 -14.8 21.0 46 53 B D H 4 S+ 0 0 89 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.729 112.4 44.9 -74.5 -26.6 -14.6 -17.4 18.5 47 54 B V H >< S+ 0 0 0 -4,-1.3 3,-1.2 -3,-0.4 4,-0.2 0.796 111.0 54.6 -84.2 -35.3 -13.0 -14.9 16.0 48 55 B Q H >< S+ 0 0 58 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.846 98.3 66.1 -64.5 -30.9 -11.2 -13.1 18.9 49 56 B A G >< S+ 0 0 38 -4,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.647 83.3 75.3 -65.0 -15.0 -9.8 -16.6 19.8 50 57 B V G X S+ 0 0 0 -3,-1.2 3,-1.7 1,-0.2 -1,-0.3 0.722 77.9 73.9 -69.5 -23.7 -7.9 -16.6 16.5 51 58 B c G < S+ 0 0 5 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.576 100.0 43.7 -66.8 -9.6 -5.3 -14.2 18.0 52 59 B S G < S+ 0 0 100 -3,-1.2 -1,-0.3 -4,-0.1 -2,-0.1 0.043 104.7 79.0-117.5 15.6 -3.9 -16.9 20.1 53 60 B Q S < S- 0 0 41 -3,-1.7 2,-0.5 1,-0.2 15,-0.1 0.112 95.4 -9.0 -97.4-141.0 -3.8 -19.6 17.4 54 61 B K E -D 67 0B 120 13,-1.0 13,-3.4 12,-0.1 2,-0.4 -0.399 67.5-144.3 -61.4 109.0 -1.4 -20.2 14.4 55 62 B N E +D 66 0B 76 -2,-0.5 11,-0.3 11,-0.3 2,-0.3 -0.606 28.4 166.2 -81.6 130.1 0.9 -17.3 14.2 56 63 B V E -D 65 0B 40 9,-2.9 9,-1.2 -2,-0.4 2,-0.2 -0.822 38.0 -91.0-135.9 169.2 1.9 -16.3 10.7 57 64 B A - 0 0 61 -2,-0.3 6,-0.3 7,-0.1 2,-0.2 -0.547 39.2-123.8 -81.0 154.5 3.6 -13.4 8.9 58 65 B d > - 0 0 8 4,-4.1 3,-1.8 -2,-0.2 -1,-0.0 -0.648 27.8-105.2 -94.9 159.6 1.6 -10.6 7.5 59 66 B K T 3 S+ 0 0 202 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.763 121.9 57.6 -52.0 -29.0 1.7 -9.6 3.9 60 67 B N T 3 S- 0 0 98 2,-0.1 2,-1.0 1,-0.1 -1,-0.3 -0.004 122.6-102.5 -92.2 23.3 3.7 -6.5 5.1 61 68 B G S < S+ 0 0 58 -3,-1.8 -2,-0.1 1,-0.2 -3,-0.1 -0.144 86.1 120.4 86.4 -44.9 6.5 -8.6 6.7 62 69 B Q - 0 0 114 -2,-1.0 -4,-4.1 -5,-0.2 -1,-0.2 0.020 56.2-144.5 -52.1 157.2 5.2 -8.1 10.3 63 70 B T + 0 0 84 -6,-0.3 -1,-0.1 1,-0.1 -6,-0.1 -0.026 69.2 104.5-120.9 33.4 4.2 -11.1 12.3 64 71 B N + 0 0 25 -9,-0.1 39,-2.3 2,-0.0 2,-0.3 -0.085 60.2 108.8 -99.3 33.5 1.2 -10.1 14.5 65 72 B d E -DE 56 102B 0 -9,-1.2 -9,-2.9 37,-0.2 2,-0.3 -0.848 49.7-167.8-109.3 143.7 -1.0 -12.1 12.0 66 73 B Y E -DE 55 101B 38 35,-2.4 35,-1.7 -2,-0.3 2,-0.5 -0.976 11.8-142.3-134.1 147.1 -2.7 -15.3 13.0 67 74 B Q E -DE 54 100B 52 -13,-3.4 -13,-1.0 -2,-0.3 33,-0.2 -0.921 24.4-117.4-114.6 131.5 -4.5 -18.0 11.1 68 75 B S - 0 0 2 31,-2.1 -18,-0.1 -2,-0.5 4,-0.1 -0.302 12.4-139.0 -63.8 141.0 -7.5 -19.9 12.3 69 76 B Y S S+ 0 0 163 29,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.843 89.5 39.6 -66.7 -36.5 -7.1 -23.6 12.8 70 77 B S S S- 0 0 70 27,-0.1 29,-0.4 1,-0.0 2,-0.3 -0.416 90.9-106.5-106.9 177.3 -10.6 -24.1 11.3 71 78 B T - 0 0 65 27,-0.2 2,-0.3 -2,-0.1 27,-0.3 -0.779 32.8-154.7 -99.1 152.2 -12.5 -22.5 8.5 72 79 B M E - C 0 97A 10 25,-2.6 25,-1.8 -2,-0.3 2,-0.5 -0.818 25.8 -98.2-129.2 156.2 -15.3 -20.2 9.2 73 80 B S E + C 0 96A 30 -32,-0.3 -32,-2.8 -2,-0.3 2,-0.3 -0.716 53.3 169.8 -74.9 123.4 -18.5 -19.1 7.3 74 81 B I E -BC 40 95A 0 21,-3.9 21,-3.1 -2,-0.5 2,-0.4 -0.935 29.5-147.4-138.2 156.6 -17.7 -15.8 5.5 75 82 B T E -BC 39 94A 2 -36,-1.8 -36,-2.4 -2,-0.3 2,-0.4 -0.997 13.7-156.1-127.3 118.9 -19.4 -13.6 2.9 76 83 B D E -BC 38 93A 31 17,-2.9 17,-2.7 -2,-0.4 2,-0.5 -0.828 3.4-160.7 -94.7 135.8 -17.1 -11.6 0.6 77 84 B a E -BC 37 92A 0 -40,-1.7 -40,-1.6 -2,-0.4 2,-0.4 -0.965 10.0-175.7-122.1 106.3 -18.7 -8.6 -0.9 78 85 B R E -BC 36 91A 151 13,-2.2 13,-3.8 -2,-0.5 -42,-0.2 -0.880 25.1-124.5-103.3 133.7 -16.8 -7.3 -4.1 79 86 B E E - C 0 90A 45 -44,-1.6 11,-0.3 -2,-0.4 9,-0.0 -0.524 30.8-117.3 -74.3 146.1 -18.0 -4.1 -5.8 80 87 B T - 0 0 53 9,-2.2 9,-0.2 -2,-0.2 -1,-0.1 -0.228 20.6-110.1 -74.1 174.8 -18.8 -4.5 -9.5 81 88 B G S S+ 0 0 90 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.813 117.0 46.9 -75.2 -27.7 -16.9 -2.7 -12.3 82 89 B S S S+ 0 0 104 2,-0.0 -1,-0.2 7,-0.0 -3,-0.0 0.751 83.5 108.0 -84.8 -32.5 -20.0 -0.5 -13.0 83 90 B S + 0 0 19 6,-0.2 2,-0.3 3,-0.0 5,-0.2 -0.270 39.8 168.5 -54.0 131.9 -20.9 0.6 -9.5 84 91 B K B > -G 87 0C 125 3,-1.2 3,-2.0 -52,-0.0 -2,-0.0 -0.985 37.9 -61.2-146.5 140.1 -20.2 4.2 -8.7 85 92 B Y T 3 S+ 0 0 112 1,-0.4 -52,-0.0 -2,-0.3 -54,-0.0 -0.472 119.7 27.5 -60.9 144.7 -21.2 6.3 -5.7 86 93 B P T 3 S+ 0 0 80 0, 0.0 2,-1.0 0, 0.0 -1,-0.4 -0.978 126.2 51.3 -84.1 10.6 -23.9 7.0 -4.8 87 94 B N B < S-G 84 0C 104 -3,-2.0 -3,-1.2 -54,-0.0 2,-0.2 -0.668 75.2-177.0-105.9 75.2 -25.1 3.8 -6.5 88 95 B b - 0 0 24 -2,-1.0 2,-0.4 -5,-0.2 -59,-0.0 -0.522 5.6-164.5 -69.2 148.6 -22.8 1.1 -5.1 89 96 B A - 0 0 31 -2,-0.2 -9,-2.2 -9,-0.2 2,-0.3 -0.990 1.8-164.4-140.9 134.3 -23.1 -2.5 -6.2 90 97 B Y E -C 79 0A 11 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.3 -0.883 16.8-141.1-121.6 145.3 -21.7 -5.7 -4.7 91 98 B K E -C 78 0A 109 -13,-3.8 -13,-2.2 -2,-0.3 2,-0.7 -0.882 27.9-138.0-100.6 128.2 -21.2 -9.3 -5.9 92 99 B T E +C 77 0A 53 -2,-0.5 2,-0.6 -15,-0.2 -15,-0.2 -0.808 24.1 177.8 -96.7 115.5 -22.0 -11.7 -3.1 93 100 B T E -C 76 0A 56 -17,-2.7 -17,-2.9 -2,-0.7 2,-0.4 -0.933 10.6-161.4-119.1 111.0 -19.7 -14.7 -2.6 94 101 B Q E +C 75 0A 102 -2,-0.6 2,-0.3 -19,-0.2 -19,-0.2 -0.774 25.5 145.2 -91.6 139.9 -20.4 -17.0 0.3 95 102 B A E -C 74 0A 25 -21,-3.1 -21,-3.9 -2,-0.4 2,-0.5 -0.964 46.7-122.7-162.5 173.2 -17.7 -19.4 1.6 96 103 B N E +C 73 0A 104 -2,-0.3 2,-0.3 -23,-0.3 -23,-0.2 -0.963 47.4 146.9-127.8 109.2 -15.9 -21.2 4.4 97 104 B K E -C 72 0A 54 -25,-1.8 -25,-2.6 -2,-0.5 2,-0.4 -0.895 55.1 -92.6-140.3 166.8 -12.2 -20.4 4.7 98 105 B H - 0 0 47 -27,-0.3 19,-1.8 -2,-0.3 2,-0.2 -0.703 47.7-139.2 -78.5 128.0 -9.5 -20.1 7.3 99 106 B I E - F 0 116B 0 -2,-0.4 -31,-2.1 -29,-0.4 2,-0.4 -0.591 9.9-153.6 -90.3 154.8 -9.5 -16.4 8.3 100 107 B I E +EF 67 115B 16 15,-2.5 14,-2.0 -33,-0.2 15,-1.7 -0.987 21.9 171.5-126.6 129.1 -6.2 -14.5 8.8 101 108 B V E -EF 66 113B 0 -35,-1.7 -35,-2.4 -2,-0.4 2,-0.4 -0.872 29.3-128.0-134.1 164.6 -6.3 -11.5 11.1 102 109 B A E -EF 65 112B 5 10,-1.9 9,-2.6 -2,-0.3 10,-1.3 -0.966 27.7-153.8-114.7 139.6 -3.8 -9.0 12.8 103 110 B c E + F 0 110B 0 -39,-2.3 2,-0.3 -2,-0.4 5,-0.1 -0.760 19.5 160.7-121.9 150.5 -3.9 -8.5 16.5 104 111 B E E > + F 0 109B 96 5,-2.0 5,-1.9 -2,-0.3 2,-0.0 -0.974 36.3 32.0-159.9 160.8 -2.9 -5.7 18.9 105 112 B G T 5S- 0 0 57 -2,-0.3 -2,-0.0 3,-0.2 0, 0.0 -0.144 86.1 -48.9 83.3 178.9 -3.6 -4.4 22.4 106 113 B N T 5S+ 0 0 163 1,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.962 133.1 40.6-134.7 113.2 -4.4 -6.0 25.7 107 114 B P T 5S- 0 0 96 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.592 109.3-127.9 -68.4 149.7 -6.6 -7.9 25.5 108 115 B Y T 5 + 0 0 98 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.2 -0.678 46.7 161.1 -70.2 111.6 -5.0 -9.0 22.2 109 116 B V E < -F 104 0B 24 -5,-1.9 -5,-2.0 -2,-0.7 2,-0.2 -0.845 45.8 -84.6-137.2 161.0 -7.8 -8.8 19.7 110 117 B P E +F 103 0B 4 0, 0.0 -7,-0.2 0, 0.0 -101,-0.1 -0.495 42.2 165.4 -66.4 138.2 -8.2 -8.6 15.9 111 118 B V E + 0 0 6 -9,-2.6 2,-0.3 1,-0.3 -8,-0.2 0.485 65.9 31.0-125.2 -23.7 -8.0 -5.1 14.5 112 119 B H E -F 102 0B 97 -10,-1.3 -10,-1.9 -104,-0.0 2,-0.6 -1.000 69.7-131.2-142.4 143.0 -7.5 -5.9 10.7 113 120 B F E -F 101 0B 39 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.827 24.5-179.9 -93.2 123.5 -8.7 -8.6 8.4 114 121 B D E - 0 0 56 -14,-2.0 2,-0.3 -2,-0.6 -13,-0.2 0.707 52.2 -60.6 -98.7 -25.3 -5.6 -9.8 6.5 115 122 B A E -F 100 0B 42 -15,-1.7 -15,-2.5 0, 0.0 -1,-0.3 -0.973 38.1-100.8 168.7-173.4 -7.1 -12.5 4.3 116 123 B S E F 99 0B 27 -2,-0.3 -17,-0.2 -17,-0.3 -45,-0.0 -0.880 360.0 360.0-144.8 98.5 -9.1 -15.8 4.0 117 124 B V 0 0 100 -19,-1.8 -18,-0.2 -2,-0.3 -1,-0.0 0.312 360.0 360.0 -84.7 360.0 -6.9 -18.9 3.2