==== 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 1J80 . 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) . 6531.0 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 . 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 . 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 0 264 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -77.5 -14.7 7.5 19.9 2 2 A E - 0 0 93 4,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.637 360.0-156.2 -82.9 120.1 -14.3 4.4 17.7 3 3 A T > - 0 0 85 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.304 30.6-104.5 -83.8 170.2 -11.3 2.2 18.5 4 4 A A H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.872 121.6 46.8 -65.0 -39.3 -9.6 -0.2 16.0 5 5 A A H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 113.1 49.5 -70.5 -37.6 -11.1 -3.4 17.6 6 6 A A H > S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.919 110.6 51.2 -65.0 -43.7 -14.6 -1.7 17.7 7 7 A K H X S+ 0 0 68 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.870 107.7 52.1 -61.3 -39.6 -14.1 -0.7 14.0 8 8 A F H X S+ 0 0 3 -4,-1.8 4,-2.8 102,-0.2 5,-0.4 0.933 109.8 50.3 -63.1 -44.9 -13.2 -4.3 13.1 9 9 A E H X S+ 0 0 64 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 112.5 44.7 -58.8 -49.1 -16.4 -5.6 14.8 10 10 A R H < S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.864 120.3 41.4 -63.7 -38.7 -18.7 -3.1 13.1 11 11 A Q H < S+ 0 0 30 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.797 130.5 18.4 -82.1 -30.6 -17.1 -3.8 9.7 12 12 A H H < S+ 0 0 14 -4,-2.8 28,-3.4 -5,-0.2 2,-0.5 0.582 95.2 95.2-121.3 -10.9 -16.6 -7.5 9.8 13 13 A M B < +a 40 0A 11 -4,-2.1 28,-0.2 -5,-0.4 30,-0.1 -0.730 25.4 149.5 -93.8 128.4 -18.8 -9.2 12.4 14 14 A D 0 0 41 26,-2.6 29,-0.1 -2,-0.5 -1,-0.1 -0.355 360.0 360.0-149.5 62.9 -22.2 -10.7 11.6 15 15 A S 0 0 103 26,-0.1 28,-0.1 27,-0.1 -1,-0.1 0.977 360.0 360.0 -54.4 360.0 -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 87 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 124.4 -28.6 -8.1 -1.9 18 25 B Y H > + 0 0 66 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.892 360.0 46.7 -52.9 -44.6 -27.0 -9.0 1.4 19 26 B a H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.915 113.4 46.3 -67.3 -45.6 -23.8 -7.1 0.6 20 27 B N H > S+ 0 0 56 70,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.921 118.7 44.2 -62.1 -42.9 -25.5 -3.9 -0.5 21 28 B Q H X S+ 0 0 125 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.949 117.3 42.2 -66.3 -52.4 -27.8 -4.1 2.5 22 29 B M H X S+ 0 0 23 -4,-3.2 4,-2.3 -5,-0.2 6,-0.3 0.897 112.6 51.8 -64.4 -44.6 -25.1 -5.0 5.2 23 30 B M H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.3 6,-0.9 0.924 114.5 45.6 -59.4 -42.2 -22.5 -2.5 3.9 24 31 B K H ><5S+ 0 0 98 -4,-1.4 3,-2.2 -5,-0.3 -2,-0.2 0.978 112.7 47.0 -65.0 -58.1 -25.1 0.3 4.0 25 32 B S H 3<5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.1 57.6 -55.9 -33.1 -26.5 -0.5 7.4 26 33 B R T 3<5S- 0 0 60 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.275 116.8-113.3 -83.3 14.0 -23.0 -0.8 8.9 27 34 B N T < 5S+ 0 0 70 -3,-2.2 4,-0.2 -5,-0.1 -3,-0.2 0.744 83.1 124.8 63.6 23.3 -22.2 2.7 7.8 28 35 B L S - 0 0 47 -2,-0.2 4,-1.3 1,-0.1 5,-0.2 -0.281 35.1-119.4 -66.5 156.5 -19.6 -15.6 17.1 44 51 B L H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.877 113.9 56.3 -65.4 -35.8 -17.4 -12.7 18.2 45 52 B A H > S+ 0 0 63 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.907 107.7 48.2 -61.9 -41.7 -15.9 -14.9 20.9 46 53 B D H 4 S+ 0 0 90 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.770 112.2 48.1 -70.6 -27.4 -14.8 -17.5 18.4 47 54 B V H >< S+ 0 0 0 -4,-1.3 3,-0.8 2,-0.2 4,-0.2 0.815 109.4 53.2 -81.3 -31.9 -13.2 -14.9 16.1 48 55 B Q H >< S+ 0 0 66 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.799 98.9 65.4 -70.6 -28.2 -11.4 -13.3 19.0 49 56 B A G >< S+ 0 0 37 -4,-1.3 3,-1.4 1,-0.3 -1,-0.2 0.656 83.0 76.1 -68.7 -16.2 -9.9 -16.7 19.9 50 57 B V G X S+ 0 0 0 -3,-0.8 3,-2.2 1,-0.3 -1,-0.3 0.772 76.7 76.4 -67.0 -23.7 -8.0 -16.7 16.6 51 58 B c G < S+ 0 0 6 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.481 99.7 42.6 -67.2 -2.0 -5.6 -14.2 18.1 52 59 B S G < S+ 0 0 97 -3,-1.4 -1,-0.3 14,-0.0 -2,-0.2 0.107 104.1 79.9-127.1 18.1 -4.0 -17.1 20.0 53 60 B Q S < S- 0 0 46 -3,-2.2 2,-0.6 1,-0.2 15,-0.2 0.366 94.4 -8.6 -98.3-130.8 -4.0 -19.7 17.2 54 61 B K E -D 67 0B 118 13,-1.6 13,-3.0 1,-0.0 2,-0.4 -0.585 65.1-141.4 -77.2 114.7 -1.6 -20.1 14.3 55 62 B N E +D 66 0B 80 -2,-0.6 2,-0.3 11,-0.2 11,-0.2 -0.580 33.9 157.8 -77.2 128.7 0.9 -17.3 14.0 56 63 B V E -D 65 0B 34 9,-2.5 9,-1.3 -2,-0.4 2,-0.4 -0.882 43.8 -91.8-141.5 169.7 1.7 -16.2 10.5 57 64 B A - 0 0 61 -2,-0.3 6,-0.3 7,-0.1 5,-0.1 -0.711 39.2-122.9 -89.2 136.1 3.0 -13.2 8.6 58 65 B d > - 0 0 7 4,-3.3 3,-1.8 -2,-0.4 -1,-0.1 -0.252 34.1-101.2 -66.2 165.5 0.5 -10.7 7.3 59 66 B K T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.865 124.2 58.6 -60.1 -31.7 0.7 -10.0 3.5 60 67 B N T 3 S- 0 0 116 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.553 125.6-100.1 -74.3 -8.2 2.6 -6.8 4.3 61 68 B G S < S+ 0 0 51 -3,-1.8 -2,-0.1 1,-0.4 -1,-0.1 0.166 81.5 133.1 108.5 -17.3 5.3 -8.7 6.1 62 69 B Q - 0 0 111 -5,-0.1 -4,-3.3 1,-0.1 -1,-0.4 -0.211 45.8-152.9 -61.3 158.5 4.0 -8.0 9.6 63 70 B T S S+ 0 0 89 -6,-0.3 -1,-0.1 1,-0.1 -7,-0.1 0.258 70.3 96.0-122.8 11.9 3.9 -11.0 11.9 64 71 B N + 0 0 29 -9,-0.1 39,-2.6 2,-0.0 2,-0.3 -0.112 65.2 115.6 -90.5 33.9 1.1 -10.1 14.3 65 72 B d E -DE 56 102B 0 -9,-1.3 -9,-2.5 37,-0.2 2,-0.4 -0.775 48.7-160.5-107.1 151.8 -1.2 -12.1 12.1 66 73 B Y E -DE 55 101B 39 35,-2.6 35,-2.0 -2,-0.3 2,-0.4 -0.995 7.4-150.0-137.8 132.1 -3.1 -15.3 13.0 67 74 B Q E -DE 54 100B 59 -13,-3.0 -13,-1.6 -2,-0.4 33,-0.2 -0.840 27.2-117.8-101.5 134.7 -4.7 -18.0 10.9 68 75 B S - 0 0 1 31,-2.2 4,-0.1 -2,-0.4 -18,-0.1 -0.451 12.8-133.8 -72.3 140.2 -7.7 -19.9 12.2 69 76 B Y S S+ 0 0 165 -2,-0.1 2,-0.2 29,-0.1 -1,-0.1 0.907 88.6 33.5 -57.5 -46.0 -7.3 -23.7 12.7 70 77 B S S S- 0 0 73 1,-0.1 29,-0.5 27,-0.1 2,-0.2 -0.592 93.5 -93.7-109.6 171.2 -10.7 -24.4 11.0 71 78 B T - 0 0 66 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.501 38.3-154.6 -81.2 152.7 -12.7 -22.8 8.2 72 79 B M E - C 0 97A 13 25,-2.8 25,-2.0 -2,-0.2 2,-0.4 -0.932 23.5-102.8-131.0 152.2 -15.3 -20.2 9.0 73 80 B S E + C 0 96A 28 -2,-0.3 -32,-2.4 23,-0.2 2,-0.3 -0.609 53.0 162.8 -73.6 124.9 -18.5 -19.1 7.2 74 81 B I E -BC 40 95A 2 21,-3.2 21,-3.2 -2,-0.4 2,-0.5 -0.967 32.6-143.6-143.6 157.5 -17.8 -15.8 5.5 75 82 B T E -BC 39 94A 3 -36,-2.1 -36,-2.2 -2,-0.3 2,-0.5 -0.990 14.7-148.6-125.5 120.9 -19.3 -13.6 2.8 76 83 B D E -BC 38 93A 30 17,-3.2 17,-2.5 -2,-0.5 2,-0.6 -0.770 9.5-162.2 -90.3 130.9 -17.1 -11.7 0.4 77 84 B a E +BC 37 92A 0 -40,-1.6 -40,-1.9 -2,-0.5 2,-0.4 -0.960 13.8 175.5-117.1 113.8 -18.5 -8.4 -0.8 78 85 B R E -BC 36 91A 123 13,-1.9 13,-3.0 -2,-0.6 -42,-0.2 -0.969 30.1-122.0-123.8 131.6 -16.8 -7.0 -3.9 79 86 B E E - C 0 90A 47 -44,-2.6 11,-0.3 -2,-0.4 2,-0.1 -0.358 31.6-124.2 -64.0 147.5 -17.8 -3.9 -5.9 80 87 B T > - 0 0 53 9,-1.7 3,-0.6 1,-0.1 9,-0.2 -0.436 24.9-106.0 -86.7 168.9 -18.6 -4.6 -9.6 81 88 B G T 3 S+ 0 0 90 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.758 121.5 54.9 -66.4 -21.9 -16.8 -2.8 -12.4 82 89 B S T 3 S+ 0 0 102 2,-0.0 -1,-0.2 7,-0.0 -3,-0.0 0.722 81.5 115.4 -82.1 -23.7 -19.9 -0.8 -12.9 83 90 B S < + 0 0 19 -3,-0.6 2,-0.3 6,-0.2 5,-0.2 -0.176 34.1 162.0 -55.0 133.1 -20.3 0.5 -9.3 84 91 B K B > -G 87 0C 149 3,-1.7 3,-1.9 -52,-0.0 -2,-0.0 -0.918 39.9 -67.4-156.5 127.1 -19.9 4.2 -8.7 85 92 B Y T 3 S+ 0 0 104 1,-0.4 -52,-0.0 -2,-0.3 -54,-0.0 -0.231 118.1 23.9 -54.0 141.1 -21.0 6.4 -5.8 86 93 B P T 3 S+ 0 0 92 0, 0.0 2,-1.2 0, 0.0 -1,-0.4 -0.998 128.0 52.7 -78.9 -2.3 -23.7 7.1 -4.9 87 94 B N B < S-G 84 0C 127 -3,-1.9 -3,-1.7 -54,-0.0 2,-0.1 -0.590 73.4-179.3 -95.9 76.6 -24.8 3.8 -6.6 88 95 B b - 0 0 21 -2,-1.2 2,-0.4 -5,-0.2 -59,-0.0 -0.481 7.5-162.7 -73.7 145.5 -22.4 1.2 -5.1 89 96 B A - 0 0 28 -9,-0.2 -9,-1.7 -2,-0.1 2,-0.3 -0.999 5.4-168.7-132.9 131.0 -22.9 -2.3 -6.4 90 97 B Y E -C 79 0A 12 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.3 -0.920 17.8-140.3-124.4 147.6 -21.6 -5.5 -4.7 91 98 B K E -C 78 0A 103 -13,-3.0 -13,-1.9 -2,-0.3 2,-0.6 -0.914 23.0-140.5-104.5 128.9 -21.2 -9.1 -5.7 92 99 B T E +C 77 0A 52 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.814 22.8 175.8 -96.0 115.2 -22.0 -11.5 -2.9 93 100 B T E -C 76 0A 63 -17,-2.5 -17,-3.2 -2,-0.6 2,-0.3 -0.923 11.9-162.3-121.6 105.1 -19.8 -14.6 -2.6 94 101 B Q E +C 75 0A 95 -2,-0.5 2,-0.3 -19,-0.3 -19,-0.2 -0.659 25.2 150.4 -85.6 140.6 -20.6 -16.8 0.4 95 102 B A E -C 74 0A 31 -21,-3.2 -21,-3.2 -2,-0.3 2,-0.5 -0.974 45.2-119.7-160.7 172.3 -17.9 -19.3 1.4 96 103 B N E +C 73 0A 99 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.943 49.9 137.9-125.3 107.6 -16.2 -21.3 4.1 97 104 B K E -C 72 0A 61 -25,-2.0 -25,-2.8 -2,-0.5 2,-0.2 -0.937 55.8 -88.9-145.0 166.9 -12.5 -20.6 4.6 98 105 B H - 0 0 48 19,-1.6 19,-2.0 -2,-0.3 2,-0.4 -0.508 44.8-137.7 -74.2 145.0 -9.8 -20.0 7.2 99 106 B I E - F 0 116B 0 -29,-0.5 -31,-2.2 17,-0.2 2,-0.5 -0.831 9.8-156.0-109.7 146.9 -9.5 -16.4 8.2 100 107 B I E +EF 67 115B 13 15,-3.2 14,-2.2 -2,-0.4 15,-1.8 -0.980 20.9 174.9-121.9 116.3 -6.3 -14.5 8.8 101 108 B V E -EF 66 113B 0 -35,-2.0 -35,-2.6 -2,-0.5 2,-0.4 -0.889 28.6-128.1-122.2 153.7 -6.5 -11.5 11.2 102 109 B A E -EF 65 112B 8 10,-1.6 9,-2.5 -2,-0.3 10,-1.2 -0.827 29.7-154.4 -98.6 138.3 -4.0 -9.1 12.6 103 110 B c E + F 0 110B 1 -39,-2.6 2,-0.3 -2,-0.4 5,-0.1 -0.904 19.8 159.4-121.6 146.4 -4.2 -8.7 16.4 104 111 B E E > + F 0 109B 100 5,-2.2 5,-2.2 -2,-0.3 2,-0.1 -0.964 32.7 33.6-153.3 167.0 -3.2 -5.9 18.8 105 112 B G T 5S- 0 0 60 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.261 85.9 -40.4 85.8-170.9 -3.8 -4.5 22.3 106 113 B N T 5S+ 0 0 166 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.920 133.5 34.4-141.8 107.8 -4.5 -5.9 25.7 107 114 B P T 5S- 0 0 95 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.554 110.9-116.3 -68.1 167.9 -6.4 -8.1 25.4 108 115 B Y T 5 + 0 0 94 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.2 -0.655 53.0 163.2 -75.2 103.6 -5.0 -9.3 22.1 109 116 B V E < -F 104 0B 25 -5,-2.2 -5,-2.2 -2,-0.9 2,-0.1 -0.875 43.4 -88.5-126.1 157.2 -8.0 -8.8 19.8 110 117 B P E +F 103 0B 5 0, 0.0 -7,-0.2 0, 0.0 -102,-0.2 -0.393 40.6 165.7 -65.7 138.5 -8.5 -8.5 16.0 111 118 B V E + 0 0 10 -9,-2.5 2,-0.3 1,-0.3 -8,-0.2 0.445 64.7 28.9-126.5 -12.2 -8.1 -5.1 14.5 112 119 B H E -F 102 0B 103 -10,-1.2 -10,-1.6 -104,-0.0 2,-0.7 -0.997 65.6-130.9-150.8 151.4 -7.8 -6.0 10.8 113 120 B F E +F 101 0B 38 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.924 27.8 174.0-104.2 114.3 -8.9 -8.6 8.3 114 121 B D E - 0 0 30 -14,-2.2 2,-0.3 -2,-0.7 -13,-0.2 0.904 53.0 -47.3 -87.5 -48.1 -5.9 -9.7 6.3 115 122 B A E -F 100 0B 37 -15,-1.8 -15,-3.2 2,-0.0 2,-0.4 -0.987 37.8-122.4-173.5 175.7 -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 -0.987 360.0 360.0-137.7 122.1 -9.2 -15.8 4.0 117 124 B V 0 0 97 -19,-2.0 -19,-1.6 -2,-0.4 -18,-0.1 -0.795 360.0 360.0-105.2 360.0 -7.6 -19.0 2.7