==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-MAY-01 1J81 . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 SYNTHETIC: YES; . 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) . 6624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 62.1 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 . 11 9.5 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 0 267 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.0 -14.5 7.6 19.6 2 2 A E - 0 0 91 4,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.736 360.0-150.5 -89.8 113.6 -14.2 4.3 17.7 3 3 A T > - 0 0 90 -2,-0.7 4,-2.2 1,-0.1 5,-0.1 -0.228 29.8-105.0 -71.3 168.6 -11.2 2.1 18.6 4 4 A A H > S+ 0 0 46 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.844 121.3 48.6 -64.7 -36.9 -9.6 -0.2 16.1 5 5 A A H > S+ 0 0 24 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.848 110.6 51.7 -72.1 -35.0 -11.1 -3.3 17.7 6 6 A A H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.928 109.7 49.9 -65.9 -44.8 -14.6 -1.7 17.7 7 7 A K H X S+ 0 0 96 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.851 106.1 54.8 -62.5 -36.8 -14.2 -0.8 14.0 8 8 A F H X S+ 0 0 4 -4,-1.6 4,-2.6 1,-0.2 5,-0.5 0.923 109.0 50.0 -63.3 -42.1 -13.2 -4.4 13.1 9 9 A E H X S+ 0 0 64 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.901 112.1 45.4 -63.4 -42.6 -16.4 -5.6 14.8 10 10 A R H < S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 119.4 42.5 -69.6 -36.2 -18.6 -3.1 12.9 11 11 A Q H < S+ 0 0 26 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.801 131.4 14.8 -81.1 -32.2 -17.0 -3.8 9.6 12 12 A H H < S+ 0 0 13 -4,-2.6 28,-3.6 -5,-0.2 2,-0.5 0.592 94.9 97.4-123.6 -12.3 -16.6 -7.6 9.7 13 13 A M B < +a 40 0A 11 -4,-1.7 28,-0.1 -5,-0.5 30,-0.1 -0.697 25.4 148.9 -89.6 126.9 -18.8 -9.2 12.4 14 14 A D 0 0 43 26,-2.3 -1,-0.1 -2,-0.5 29,-0.1 -0.466 360.0 360.0-149.5 69.5 -22.1 -10.7 11.5 15 15 A S 0 0 102 26,-0.1 28,-0.1 27,-0.0 -1,-0.1 0.916 360.0 360.0 -57.7 360.0 -22.7 -13.6 13.9 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 95 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 170.8 -28.6 -8.3 -1.9 18 25 B Y H > + 0 0 71 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.858 360.0 50.4 -51.3 -44.1 -27.0 -9.0 1.5 19 26 B a H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.938 109.8 47.0 -64.4 -50.6 -23.8 -7.1 0.6 20 27 B N H > S+ 0 0 44 70,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.883 118.6 45.5 -58.8 -37.6 -25.5 -3.9 -0.6 21 28 B Q H X S+ 0 0 129 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.947 116.5 40.6 -71.3 -52.9 -27.7 -4.1 2.6 22 29 B M H X S+ 0 0 27 -4,-3.3 4,-2.5 2,-0.2 6,-0.2 0.859 112.6 54.9 -67.4 -36.8 -25.0 -4.9 5.2 23 30 B M H <>S+ 0 0 0 -4,-2.6 5,-2.9 -5,-0.3 6,-1.1 0.936 113.5 42.3 -62.4 -44.3 -22.4 -2.5 3.7 24 31 B K H ><5S+ 0 0 102 -4,-1.2 3,-1.9 -5,-0.3 -2,-0.2 0.973 114.6 50.3 -65.7 -53.2 -24.9 0.4 3.9 25 32 B S H 3<5S+ 0 0 82 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.829 107.1 53.5 -53.1 -40.3 -26.1 -0.6 7.4 26 33 B R T 3<5S- 0 0 62 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.250 119.4-109.2 -84.1 15.8 -22.6 -0.9 8.9 27 34 B N T < 5S+ 0 0 75 -3,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.900 86.7 120.9 60.4 42.7 -21.9 2.6 7.7 28 35 B L S - 0 0 48 -2,-0.3 4,-1.2 1,-0.1 5,-0.1 -0.211 38.5-117.0 -60.7 156.6 -19.6 -15.7 17.1 44 51 B L H > S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.842 114.0 53.5 -65.0 -33.8 -17.4 -12.7 18.1 45 52 B A H > S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.842 105.8 52.6 -69.9 -35.1 -15.6 -14.8 20.8 46 53 B D H 4 S+ 0 0 87 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.801 111.1 47.3 -70.9 -29.6 -14.7 -17.5 18.4 47 54 B V H >< S+ 0 0 0 -4,-1.2 3,-0.8 1,-0.2 4,-0.3 0.854 109.9 51.6 -79.6 -34.7 -13.1 -14.9 16.1 48 55 B Q H >< S+ 0 0 61 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.767 98.7 68.0 -70.9 -23.6 -11.2 -13.3 18.9 49 56 B A G >< S+ 0 0 37 -4,-1.2 3,-1.9 1,-0.3 -1,-0.2 0.793 82.8 74.0 -65.6 -26.6 -10.0 -16.7 19.8 50 57 B V G X S+ 0 0 0 -3,-0.8 3,-2.3 -4,-0.4 -1,-0.3 0.753 77.0 77.0 -58.5 -25.5 -7.9 -16.7 16.6 51 58 B c G < S+ 0 0 6 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.552 99.9 42.4 -64.4 -8.1 -5.5 -14.3 18.2 52 59 B S G < S+ 0 0 98 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.141 106.1 77.8-121.0 18.4 -4.0 -17.2 20.1 53 60 B Q S < S- 0 0 45 -3,-2.3 2,-0.7 1,-0.2 15,-0.2 0.344 94.4 -4.7-101.0-131.4 -4.0 -19.7 17.2 54 61 B K E -D 67 0B 119 13,-1.6 13,-3.2 1,-0.1 2,-0.5 -0.510 65.2-146.5 -72.7 109.9 -1.7 -20.1 14.2 55 62 B N E +D 66 0B 81 -2,-0.7 11,-0.3 11,-0.3 2,-0.2 -0.610 33.2 153.7 -77.9 119.9 0.9 -17.3 14.1 56 63 B V E -D 65 0B 37 9,-2.4 9,-1.1 -2,-0.5 2,-0.4 -0.694 45.3 -86.7-131.1-176.1 1.8 -16.4 10.6 57 64 B A - 0 0 60 -2,-0.2 6,-0.3 7,-0.1 5,-0.1 -0.809 37.0-121.9-101.2 138.8 3.1 -13.3 8.8 58 65 B d > - 0 0 5 4,-3.0 3,-3.1 -2,-0.4 7,-0.1 -0.446 30.9-109.7 -71.5 151.7 0.8 -10.6 7.5 59 66 B K T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 4,-0.0 0.806 120.7 63.2 -53.1 -28.1 1.1 -10.0 3.7 60 67 B N T 3 S- 0 0 115 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.562 124.0-105.3 -74.1 -6.4 2.7 -6.7 4.7 61 68 B G S < S+ 0 0 51 -3,-3.1 -2,-0.1 1,-0.4 -1,-0.1 0.067 81.6 127.1 104.8 -23.6 5.5 -8.6 6.3 62 69 B Q - 0 0 116 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.4 -0.128 51.4-146.5 -60.1 165.1 4.4 -7.9 9.9 63 70 B T + 0 0 91 -6,-0.3 -1,-0.1 1,-0.1 -6,-0.1 0.050 69.9 98.9-129.2 29.1 4.0 -11.0 12.2 64 71 B N + 0 0 34 -9,-0.1 39,-2.5 2,-0.0 2,-0.3 -0.308 63.6 113.4-105.4 45.3 1.1 -10.2 14.5 65 72 B d E -DE 56 102B 0 -9,-1.1 -9,-2.4 37,-0.2 2,-0.4 -0.900 47.8-163.8-119.2 148.7 -1.2 -12.2 12.3 66 73 B Y E -DE 55 101B 38 35,-2.0 35,-1.8 -2,-0.3 2,-0.4 -0.998 10.5-144.7-136.8 136.0 -2.9 -15.5 13.1 67 74 B Q E -DE 54 100B 58 -13,-3.2 -13,-1.6 -2,-0.4 2,-0.2 -0.797 29.6-113.3 -98.1 138.9 -4.6 -18.1 10.9 68 75 B S - 0 0 2 31,-2.1 4,-0.1 -2,-0.4 -21,-0.0 -0.506 12.8-136.7 -73.9 135.6 -7.7 -19.9 12.2 69 76 B Y S S+ 0 0 166 -2,-0.2 2,-0.2 29,-0.1 -1,-0.1 0.924 90.0 36.9 -54.1 -44.7 -7.2 -23.6 12.8 70 77 B S S S- 0 0 69 27,-0.1 29,-0.5 1,-0.1 2,-0.2 -0.580 91.8-101.1-108.3 168.0 -10.6 -24.2 11.1 71 78 B T - 0 0 69 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.566 37.5-155.3 -84.4 151.9 -12.5 -22.7 8.3 72 79 B M E - C 0 97A 11 25,-2.8 25,-2.1 -2,-0.2 2,-0.3 -0.905 23.6 -99.0-128.6 156.3 -15.3 -20.2 9.1 73 80 B S E + C 0 96A 25 -2,-0.3 -32,-2.9 23,-0.2 2,-0.3 -0.594 53.1 164.9 -75.7 130.9 -18.4 -19.1 7.3 74 81 B I E -BC 40 95A 1 21,-3.1 21,-2.7 -2,-0.3 2,-0.5 -0.988 33.3-142.3-147.7 156.2 -17.9 -15.8 5.5 75 82 B T E -BC 39 94A 5 -36,-2.2 -36,-2.3 -2,-0.3 2,-0.5 -0.985 16.6-150.0-122.9 122.0 -19.4 -13.6 2.8 76 83 B D E -BC 38 93A 31 17,-3.0 17,-2.3 -2,-0.5 2,-0.6 -0.789 8.5-160.7 -92.2 127.7 -17.2 -11.8 0.4 77 84 B a E +BC 37 92A 0 -40,-2.3 -40,-1.7 -2,-0.5 2,-0.4 -0.945 13.8 177.0-113.9 115.1 -18.6 -8.5 -0.9 78 85 B R E -BC 36 91A 135 13,-2.1 13,-3.2 -2,-0.6 -42,-0.2 -0.966 29.8-119.5-122.6 130.2 -16.9 -7.2 -4.1 79 86 B E E - C 0 90A 50 -44,-2.3 11,-0.3 -2,-0.4 2,-0.1 -0.357 30.7-123.1 -64.0 140.2 -17.9 -4.0 -6.0 80 87 B T - 0 0 50 9,-2.3 9,-0.2 1,-0.1 3,-0.2 -0.325 26.6-106.7 -76.0 168.3 -19.0 -4.7 -9.6 81 88 B G S S+ 0 0 93 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.648 119.6 52.0 -72.0 -11.7 -17.2 -3.0 -12.4 82 89 B S S S+ 0 0 99 7,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.765 78.8 118.1 -93.1 -31.3 -20.2 -0.6 -12.8 83 90 B S + 0 0 19 6,-0.2 2,-0.3 -3,-0.2 5,-0.2 -0.032 33.9 167.2 -42.8 131.6 -20.6 0.6 -9.2 84 91 B K B > -G 87 0C 149 3,-1.6 3,-1.1 -52,-0.0 -52,-0.0 -0.970 40.0 -65.5-151.1 133.4 -20.2 4.3 -8.7 85 92 B Y T 3 S+ 0 0 103 1,-0.3 -52,-0.0 -2,-0.3 -54,-0.0 -0.353 119.6 21.2 -59.0 139.3 -21.0 6.5 -5.7 86 93 B P T 3 S+ 0 0 88 0, 0.0 2,-1.7 0, 0.0 -1,-0.3 -0.997 126.3 54.3 -80.3 -11.6 -23.8 7.0 -4.7 87 94 B N B < S-G 84 0C 122 -3,-1.1 -3,-1.6 -54,-0.0 2,-0.2 -0.523 73.4-179.6 -85.1 75.1 -25.0 3.8 -6.5 88 95 B b - 0 0 20 -2,-1.7 2,-0.4 -5,-0.2 -59,-0.0 -0.486 6.3-165.4 -74.5 143.4 -22.6 1.2 -5.1 89 96 B A - 0 0 30 -9,-0.2 -9,-2.3 -2,-0.2 2,-0.3 -0.998 3.2-165.7-133.8 131.5 -23.2 -2.3 -6.4 90 97 B Y E -C 79 0A 7 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.2 -0.879 18.1-139.0-122.0 153.6 -21.8 -5.5 -4.9 91 98 B K E -C 78 0A 121 -13,-3.2 -13,-2.1 -2,-0.3 2,-0.5 -0.923 25.9-141.4-106.2 127.5 -21.3 -9.1 -5.9 92 99 B T E +C 77 0A 53 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.815 22.5 175.5 -99.4 123.9 -22.0 -11.5 -3.1 93 100 B T E -C 76 0A 55 -17,-2.3 -17,-3.0 -2,-0.5 2,-0.2 -0.896 11.5-161.6-130.6 104.0 -19.9 -14.7 -2.6 94 101 B Q E +C 75 0A 95 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.531 25.4 145.6 -82.6 148.2 -20.5 -16.9 0.4 95 102 B A E -C 74 0A 29 -21,-2.7 -21,-3.1 -2,-0.2 2,-0.5 -0.983 45.9-116.1-168.5 172.5 -17.8 -19.4 1.4 96 103 B N E +C 73 0A 103 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.981 48.8 145.5-124.6 114.9 -16.0 -21.3 4.2 97 104 B K E -C 72 0A 49 -25,-2.1 -25,-2.8 -2,-0.5 2,-0.3 -0.956 53.4 -92.0-147.1 165.4 -12.3 -20.4 4.7 98 105 B H - 0 0 49 -2,-0.3 19,-2.2 -27,-0.3 2,-0.3 -0.609 45.8-141.8 -75.7 134.1 -9.6 -20.0 7.2 99 106 B I E - F 0 116B 0 -29,-0.5 -31,-2.1 -2,-0.3 2,-0.5 -0.726 9.2-155.5-101.1 152.9 -9.4 -16.4 8.2 100 107 B I E +EF 67 115B 14 15,-2.3 14,-3.0 -2,-0.3 15,-1.4 -0.988 19.1 175.3-128.0 119.2 -6.2 -14.4 8.9 101 108 B V E -EF 66 113B 0 -35,-1.8 -35,-2.0 -2,-0.5 2,-0.5 -0.923 29.6-125.9-126.7 153.0 -6.4 -11.4 11.2 102 109 B A E -EF 65 112B 10 10,-2.1 9,-2.8 -2,-0.3 10,-1.3 -0.847 31.7-157.9 -96.5 125.9 -3.9 -9.0 12.7 103 110 B c E + F 0 110B 0 -39,-2.5 2,-0.3 -2,-0.5 5,-0.1 -0.790 22.3 144.1-111.2 149.2 -4.1 -8.7 16.5 104 111 B E E > + F 0 109B 97 5,-1.9 5,-1.4 -2,-0.3 2,-0.1 -0.977 30.9 52.4-168.8 165.3 -3.0 -6.1 19.0 105 112 B G T 5S- 0 0 58 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.374 85.0 -50.7 95.5-176.3 -3.9 -4.4 22.2 106 113 B N T 5S+ 0 0 164 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.926 132.3 38.5-143.0 111.2 -4.7 -5.8 25.7 107 114 B P T 5S- 0 0 98 0, 0.0 2,-0.9 0, 0.0 -3,-0.1 0.561 110.5-120.0 -59.5 166.3 -6.8 -7.8 25.5 108 115 B Y T 5 + 0 0 91 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.2 -0.755 52.6 155.0 -85.8 103.4 -5.3 -9.2 22.3 109 116 B V E < -F 104 0B 21 -5,-1.4 -5,-1.9 -2,-0.9 2,-0.1 -0.860 48.4 -82.6-129.1 163.1 -8.1 -8.9 19.8 110 117 B P E +F 103 0B 6 0, 0.0 -7,-0.2 0, 0.0 -102,-0.2 -0.412 40.9 166.1 -67.6 137.3 -8.4 -8.6 15.9 111 118 B V E + 0 0 10 -9,-2.8 2,-0.3 1,-0.3 -8,-0.2 0.513 66.6 30.5-123.0 -19.9 -8.0 -5.1 14.6 112 119 B H E -F 102 0B 119 -10,-1.3 -10,-2.1 -104,-0.0 2,-0.5 -0.992 67.2-134.5-142.8 148.9 -7.5 -5.9 10.9 113 120 B F E +F 101 0B 40 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.905 24.5 177.0-100.9 126.4 -8.7 -8.6 8.5 114 121 B D E - 0 0 45 -14,-3.0 2,-0.3 -2,-0.5 -13,-0.2 0.845 50.9 -51.8 -98.9 -44.1 -5.8 -9.8 6.4 115 122 B A E -F 100 0B 36 -15,-1.4 -15,-2.3 -57,-0.0 -1,-0.3 -0.973 38.2-118.9-175.5-176.1 -7.2 -12.6 4.2 116 123 B S E F 99 0B 26 -2,-0.3 -17,-0.2 -17,-0.2 -45,-0.0 -0.931 360.0 360.0-149.1 120.1 -9.1 -15.9 3.9 117 124 B V 0 0 97 -19,-2.2 -18,-0.1 -2,-0.3 -1,-0.1 0.857 360.0 360.0-104.5 360.0 -7.7 -19.1 2.6