==== 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 1CJQ . 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) . 6559.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 66.4 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 . 32 27.6 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 . 1 0.9 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 . 12 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.9 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 . 4 3.4 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 3 0 0 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 0 256 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.9 -14.7 7.6 19.8 2 2 A E - 0 0 59 4,-0.0 5,-0.0 5,-0.0 0, 0.0 -0.901 360.0-146.1-113.7 107.2 -14.3 4.3 17.9 3 3 A T > - 0 0 89 -2,-0.6 4,-2.3 1,-0.1 5,-0.1 -0.054 26.9-107.1 -61.1 172.6 -11.3 2.2 18.7 4 4 A A H > S+ 0 0 50 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.955 121.7 46.1 -67.8 -47.9 -9.5 0.1 16.2 5 5 A A H > S+ 0 0 20 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.653 112.2 52.8 -69.3 -17.5 -10.8 -3.2 17.6 6 6 A A H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.1 -1,-0.2 0.900 105.1 53.3 -83.6 -42.0 -14.3 -1.7 17.8 7 7 A K H X S+ 0 0 87 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.823 106.1 54.9 -61.2 -32.2 -14.2 -0.6 14.1 8 8 A F H X>S+ 0 0 5 -4,-1.5 4,-3.1 2,-0.2 5,-0.9 0.993 106.2 50.9 -63.0 -59.7 -13.3 -4.2 13.2 9 9 A E H X5S+ 0 0 60 -4,-1.2 4,-0.7 101,-0.2 -2,-0.2 0.881 115.0 42.6 -45.6 -46.8 -16.4 -5.6 15.0 10 10 A R H <5S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 118.7 43.9 -69.3 -43.0 -18.7 -3.1 13.2 11 11 A Q H <5S+ 0 0 32 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.839 134.6 7.1 -70.5 -39.5 -17.1 -3.6 9.8 12 12 A H H <5S+ 0 0 18 -4,-3.1 28,-1.9 -5,-0.2 -3,-0.2 0.733 97.1 98.7-115.6 -39.1 -16.7 -7.3 9.7 13 13 A M B << +a 40 0A 10 -5,-0.9 28,-0.1 -4,-0.7 30,-0.1 -0.411 29.0 151.0 -60.8 127.4 -18.4 -9.1 12.7 14 14 A D 0 0 40 26,-1.5 -1,-0.1 28,-0.3 29,-0.1 -0.336 360.0 360.0-154.5 58.4 -21.8 -10.5 11.9 15 15 A S 0 0 112 26,-0.1 28,-0.1 27,-0.0 -1,-0.0 0.987 360.0 360.0 -53.8 360.0 -22.2 -13.4 14.2 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 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 126.2 -28.4 -8.1 -2.2 18 25 B Y H > + 0 0 76 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.853 360.0 52.1 -46.9 -45.1 -27.0 -8.9 1.3 19 26 B a H >>S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.974 107.4 49.8 -62.9 -50.7 -23.8 -6.9 0.6 20 27 B N H >5S+ 0 0 59 70,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.894 118.5 43.1 -55.4 -33.1 -25.6 -3.8 -0.5 21 28 B Q H X5S+ 0 0 134 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.983 118.0 38.0 -77.0 -62.8 -27.6 -4.1 2.7 22 29 B M H X5S+ 0 0 28 -4,-3.2 4,-3.3 1,-0.2 6,-0.3 0.920 119.3 49.8 -54.8 -47.3 -25.1 -5.0 5.4 23 30 B M H <>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.4 6,-1.4 0.879 112.1 49.2 -59.0 -41.0 -22.5 -2.7 3.8 24 31 B K H >< - 0 0 46 -2,-0.3 4,-2.3 -28,-0.1 5,-0.2 -0.339 35.7-124.4 -63.3 149.4 -19.4 -15.7 17.2 44 51 B L H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.847 111.6 54.6 -62.4 -34.0 -17.2 -12.8 18.2 45 52 B A H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 108.4 47.4 -64.7 -48.9 -15.6 -14.9 21.0 46 53 B D H 4 S+ 0 0 89 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.914 114.9 47.3 -56.4 -47.3 -14.7 -17.6 18.5 47 54 B V H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.2 0.859 112.7 47.6 -62.3 -43.5 -13.2 -14.9 16.2 48 55 B Q H >< S+ 0 0 59 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.814 101.1 66.3 -67.7 -31.4 -11.3 -13.1 18.9 49 56 B A G >< S+ 0 0 41 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.678 82.6 78.0 -64.0 -18.1 -10.0 -16.5 20.1 50 57 B V G X S+ 0 0 2 -3,-0.9 3,-2.1 -4,-0.4 -1,-0.3 0.808 73.8 79.2 -61.7 -25.9 -8.1 -16.6 16.7 51 58 B c G < S+ 0 0 8 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.582 94.0 47.5 -60.1 -9.9 -5.7 -14.2 18.3 52 59 B S G < S+ 0 0 99 -3,-1.8 -1,-0.3 14,-0.1 -2,-0.1 -0.137 102.5 81.7-120.5 32.7 -4.1 -17.2 20.1 53 60 B Q S < S- 0 0 42 -3,-2.1 2,-0.3 1,-0.2 15,-0.1 -0.184 90.3 -9.5-116.3-151.3 -3.9 -19.5 17.1 54 61 B K E -D 67 0B 104 13,-0.9 13,-2.6 12,-0.1 2,-0.6 -0.257 65.1-147.7 -53.3 107.2 -1.6 -20.1 14.1 55 62 B N E +D 66 0B 69 -2,-0.3 11,-0.3 11,-0.3 2,-0.3 -0.703 32.9 151.1 -82.4 119.4 0.9 -17.2 14.1 56 63 B V E -D 65 0B 46 9,-2.6 9,-1.5 -2,-0.6 2,-0.1 -0.843 47.7 -86.5-139.2 168.5 2.0 -16.2 10.6 57 64 B A - 0 0 55 -2,-0.3 6,-0.3 6,-0.2 5,-0.2 -0.459 39.5-130.1 -77.0 150.9 3.1 -13.0 8.7 58 65 B d > - 0 0 11 4,-2.5 3,-1.5 -2,-0.1 -1,-0.1 -0.392 32.8 -97.9 -90.0 178.9 0.5 -10.7 7.3 59 66 B K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 55,-0.1 -2,-0.0 0.827 126.1 62.2 -66.8 -27.6 0.7 -9.4 3.7 60 67 B N T 3 S- 0 0 104 2,-0.1 2,-1.0 1,-0.1 -1,-0.3 0.209 117.3-115.0 -81.4 12.2 2.3 -6.3 5.2 61 68 B G S < S+ 0 0 47 -3,-1.5 -1,-0.1 1,-0.2 -2,-0.1 -0.218 75.5 127.2 85.9 -45.3 5.2 -8.4 6.5 62 69 B Q - 0 0 127 -2,-1.0 -4,-2.5 -5,-0.2 2,-0.6 -0.167 56.4-140.6 -49.4 132.6 4.5 -7.8 10.2 63 70 B T S S+ 0 0 97 -6,-0.3 -6,-0.2 1,-0.2 -1,-0.1 -0.356 73.8 99.3 -97.1 53.4 4.2 -11.2 12.0 64 71 B N + 0 0 40 -2,-0.6 39,-1.5 -9,-0.0 2,-0.3 -0.179 56.2 111.8-126.3 35.6 1.3 -10.5 14.4 65 72 B d E -DE 56 102B 0 -9,-1.5 -9,-2.6 37,-0.2 2,-0.4 -0.866 49.7-158.2-110.9 148.8 -1.3 -12.2 12.3 66 73 B Y E -DE 55 101B 35 35,-1.9 35,-1.1 -2,-0.3 -11,-0.3 -0.960 6.7-148.2-134.5 112.8 -3.0 -15.4 13.3 67 74 B Q E -DE 54 100B 51 -13,-2.6 -13,-0.9 -2,-0.4 33,-0.2 -0.571 31.6-108.3 -75.3 141.3 -4.7 -17.8 10.8 68 75 B S - 0 0 2 31,-2.6 -1,-0.1 -2,-0.2 49,-0.0 -0.409 13.6-138.3 -69.1 147.5 -7.8 -19.6 12.2 69 76 B Y S S+ 0 0 164 -2,-0.1 -1,-0.1 29,-0.1 29,-0.1 0.985 88.3 34.1 -66.3 -56.0 -7.4 -23.3 12.8 70 77 B S S S- 0 0 74 1,-0.1 2,-0.4 27,-0.1 29,-0.4 -0.171 94.7 -94.8 -91.0-176.5 -10.8 -24.0 11.4 71 78 B T - 0 0 67 27,-0.2 27,-0.3 25,-0.1 2,-0.2 -0.867 34.7-150.4-105.7 131.9 -12.8 -22.5 8.5 72 79 B M E - C 0 97A 8 25,-2.6 25,-1.5 -2,-0.4 2,-0.6 -0.678 23.2-107.9 -99.9 158.1 -15.4 -19.8 9.3 73 80 B S E + C 0 96A 32 -2,-0.2 -32,-3.2 23,-0.2 23,-0.2 -0.721 54.8 165.1 -81.5 121.6 -18.6 -19.0 7.4 74 81 B I E -BC 40 95A 0 21,-2.8 21,-1.4 -2,-0.6 2,-0.2 -0.639 36.6-138.1-130.3-172.8 -18.0 -15.8 5.6 75 82 B T E -BC 39 94A 0 -36,-0.6 -36,-1.1 19,-0.2 2,-0.5 -0.744 13.6-151.2-153.2 96.8 -19.3 -13.5 2.8 76 83 B D E -BC 38 93A 29 17,-2.6 17,-1.8 -2,-0.2 2,-0.7 -0.599 12.7-162.1 -71.8 118.1 -16.9 -11.8 0.3 77 84 B a E - C 0 92A 0 -40,-1.7 -40,-0.5 -2,-0.5 2,-0.4 -0.906 11.6-176.9-106.3 102.6 -18.5 -8.5 -0.9 78 85 B R E - C 0 91A 141 13,-2.2 13,-3.2 -2,-0.7 2,-0.5 -0.804 26.5-126.7-101.5 140.1 -16.8 -7.2 -4.1 79 86 B E E - C 0 90A 57 -44,-1.7 11,-0.2 -2,-0.4 2,-0.2 -0.708 29.4-128.8 -84.2 123.9 -17.7 -4.0 -5.8 80 87 B T > - 0 0 44 9,-0.7 3,-1.8 -2,-0.5 9,-0.3 -0.521 17.9-119.0 -71.7 145.2 -18.5 -4.7 -9.5 81 88 B G T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.720 107.1 65.5 -56.3 -26.7 -16.6 -2.6 -11.9 82 89 B S T 3 S+ 0 0 118 2,-0.0 -1,-0.3 6,-0.0 2,-0.2 0.529 86.1 92.6 -74.9 -9.4 -19.7 -1.0 -13.4 83 90 B S < + 0 0 24 -3,-1.8 2,-0.3 6,-0.1 5,-0.2 -0.577 46.9 179.4 -91.8 152.9 -20.7 0.8 -10.2 84 91 B K B > -G 87 0C 160 3,-1.2 3,-2.6 -2,-0.2 -2,-0.0 -0.993 37.8 -58.4-148.9 141.6 -20.0 4.3 -9.0 85 92 B Y T 3 S+ 0 0 107 1,-0.4 -52,-0.0 -2,-0.3 4,-0.0 -0.264 120.9 33.6 -54.3 144.4 -21.0 6.3 -5.8 86 93 B P T 3 S+ 0 0 94 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 -0.980 126.8 52.1 -76.2 8.1 -23.7 7.0 -4.8 87 94 B N B < +G 84 0C 118 -3,-2.6 -3,-1.2 -54,-0.0 2,-0.7 -0.803 67.1 177.8-110.0 95.5 -24.5 3.6 -6.3 88 95 B b - 0 0 15 -2,-0.8 2,-0.3 -59,-0.2 -54,-0.1 -0.846 13.5-156.7 -98.8 116.2 -22.1 0.9 -5.1 89 96 B A - 0 0 33 -2,-0.7 -9,-0.7 -9,-0.3 2,-0.4 -0.672 7.4-158.2 -89.6 150.9 -22.8 -2.5 -6.4 90 97 B Y E -C 79 0A 9 -2,-0.3 2,-0.7 -11,-0.2 -70,-0.2 -0.989 14.2-145.8-135.6 132.8 -21.6 -5.6 -4.6 91 98 B K E -C 78 0A 123 -13,-3.2 -13,-2.2 -2,-0.4 2,-0.5 -0.894 23.9-147.0 -96.0 113.3 -21.0 -9.2 -5.6 92 99 B T E +C 77 0A 42 -2,-0.7 2,-0.4 -15,-0.2 -15,-0.2 -0.727 19.1 179.2 -85.6 125.9 -21.9 -11.5 -2.7 93 100 B T E -C 76 0A 53 -17,-1.8 -17,-2.6 -2,-0.5 2,-0.1 -0.945 13.5-153.8-131.4 108.6 -19.9 -14.7 -2.4 94 101 B Q E +C 75 0A 103 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.497 29.4 150.0 -76.9 152.9 -20.5 -17.1 0.5 95 102 B A E -C 74 0A 22 -21,-1.4 -21,-2.8 -2,-0.1 2,-0.3 -0.969 45.8-127.6-170.0 174.5 -17.7 -19.3 1.7 96 103 B N E +C 73 0A 110 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.839 48.5 144.7-139.1 96.0 -16.0 -21.2 4.5 97 104 B K E -C 72 0A 52 -25,-1.5 -25,-2.6 -2,-0.3 2,-0.2 -0.867 53.5 -94.0-134.5 163.0 -12.3 -20.2 4.7 98 105 B H - 0 0 46 19,-2.5 19,-1.3 -2,-0.3 2,-0.3 -0.540 43.6-139.1 -73.4 143.2 -9.7 -19.8 7.3 99 106 B I E - F 0 116B 0 -29,-0.4 -31,-2.6 17,-0.3 2,-0.4 -0.776 11.5-159.0-106.2 155.9 -9.4 -16.2 8.5 100 107 B I E +EF 67 115B 18 15,-1.7 15,-0.9 -2,-0.3 14,-0.8 -0.981 18.6 171.4-134.9 116.1 -6.3 -14.2 9.2 101 108 B V E -EF 66 113B 0 -35,-1.1 -35,-1.9 -2,-0.4 2,-0.7 -0.868 33.6-120.9-123.8 157.4 -6.5 -11.1 11.4 102 109 B A E -EF 65 112B 9 10,-2.1 9,-2.4 -2,-0.3 10,-0.7 -0.893 30.2-158.5-100.0 114.0 -4.0 -8.8 13.0 103 110 B c E + F 0 110B 0 -39,-1.5 2,-0.3 -2,-0.7 5,-0.1 -0.670 19.5 160.0 -93.6 145.9 -4.3 -8.8 16.7 104 111 B E E > + F 0 109B 88 5,-1.8 5,-1.5 -2,-0.3 -99,-0.0 -0.985 32.5 25.5-157.5 159.5 -3.0 -5.9 18.9 105 112 B G T 5S- 0 0 53 -2,-0.3 -2,-0.0 3,-0.2 0, 0.0 -0.120 88.4 -35.4 82.0-177.6 -3.5 -4.4 22.3 106 113 B N T 5S+ 0 0 164 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.987 132.6 34.7-131.0 119.4 -4.7 -5.7 25.6 107 114 B P T 5S- 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.494 109.7-121.4 -68.1 145.0 -6.8 -7.7 25.6 108 115 B Y T 5 + 0 0 97 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.1 -0.441 51.4 161.4 -57.6 116.2 -5.2 -9.0 22.4 109 116 B V E < -F 104 0B 23 -5,-1.5 -5,-1.8 -2,-0.3 2,-0.1 -0.979 45.3 -86.3-141.8 154.9 -8.1 -8.7 19.9 110 117 B P E +F 103 0B 0 0, 0.0 -101,-0.2 0, 0.0 -7,-0.2 -0.361 44.8 160.5 -62.2 129.8 -8.6 -8.5 16.1 111 118 B V E + 0 0 11 -9,-2.4 2,-0.3 1,-0.4 -8,-0.1 0.422 64.7 34.1-127.5 -9.4 -8.2 -5.0 14.7 112 119 B H E -F 102 0B 121 -10,-0.7 -10,-2.1 -107,-0.0 -1,-0.4 -0.987 67.7-140.8-147.5 137.7 -7.6 -5.8 11.0 113 120 B F E +F 101 0B 34 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.435 23.5 174.2 -85.8 174.5 -8.9 -8.5 8.7 114 121 B D E - 0 0 29 -14,-0.8 2,-0.3 1,-0.3 -13,-0.2 0.515 47.7 -33.5-154.6 -25.0 -6.2 -9.8 6.3 115 122 B A E -F 100 0B 36 -15,-0.9 -15,-1.7 -57,-0.0 2,-0.4 -0.903 42.0-116.9 170.6 168.6 -7.3 -12.7 4.2 116 123 B S E F 99 0B 29 -2,-0.3 -17,-0.3 -17,-0.2 -20,-0.1 -0.865 360.0 360.0-132.5 91.8 -9.4 -15.9 4.0 117 124 B V 0 0 93 -19,-1.3 -19,-2.5 -2,-0.4 -18,-0.1 -0.426 360.0 360.0 -56.9 360.0 -7.3 -19.0 3.5