==== 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 1J7Z . 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) . 6448.0 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 . 35 30.2 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 . 9 7.8 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 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 233 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.5 -13.8 7.9 18.7 2 2 A E - 0 0 66 1,-0.1 5,-0.0 4,-0.1 0, 0.0 -0.639 360.0-132.9 -76.9 121.5 -14.2 4.3 17.5 3 3 A T > - 0 0 89 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.159 22.6-106.9 -68.7 170.8 -11.3 2.2 18.4 4 4 A A H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.842 121.2 49.0 -68.4 -34.7 -9.6 -0.2 15.9 5 5 A A H > S+ 0 0 24 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.829 111.5 49.2 -74.1 -32.2 -11.1 -3.2 17.6 6 6 A A H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.847 110.9 50.8 -73.6 -35.4 -14.5 -1.7 17.6 7 7 A K H X S+ 0 0 89 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.881 105.6 55.4 -69.1 -39.9 -14.2 -0.8 14.0 8 8 A F H X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 5,-0.5 0.935 110.0 48.1 -57.6 -43.8 -13.1 -4.3 13.1 9 9 A E H X S+ 0 0 59 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.915 111.3 46.7 -63.9 -47.1 -16.4 -5.5 14.8 10 10 A R H < S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 120.4 41.7 -65.5 -32.0 -18.7 -3.1 13.0 11 11 A Q H < S+ 0 0 14 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.797 129.9 16.0 -87.4 -30.4 -17.1 -3.9 9.7 12 12 A H H < S+ 0 0 17 -4,-2.6 28,-3.5 -5,-0.2 2,-0.5 0.598 94.8 96.1-123.9 -11.7 -16.6 -7.7 9.8 13 13 A M B < +a 40 0A 10 -4,-1.7 28,-0.1 -5,-0.5 30,-0.1 -0.711 26.1 151.6 -91.5 127.6 -18.7 -9.3 12.5 14 14 A D 0 0 38 26,-2.3 29,-0.1 -2,-0.5 -1,-0.1 -0.490 360.0 360.0-148.1 71.6 -22.0 -10.8 11.7 15 15 A S 0 0 103 26,-0.2 28,-0.1 27,-0.0 -1,-0.1 0.920 360.0 360.0 -62.7 360.0 -22.6 -13.7 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 94 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 168.1 -28.8 -8.5 -1.8 18 25 B Y H > + 0 0 72 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.856 360.0 50.6 -51.7 -44.1 -27.1 -9.2 1.6 19 26 B a H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.918 110.0 48.0 -64.9 -46.4 -23.9 -7.3 0.7 20 27 B N H > S+ 0 0 23 70,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.890 118.7 42.0 -62.0 -38.8 -25.6 -4.1 -0.4 21 28 B Q H X S+ 0 0 119 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.907 117.3 44.4 -75.0 -45.0 -27.8 -4.1 2.7 22 29 B M H X S+ 0 0 37 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.843 112.1 52.7 -70.7 -34.3 -25.1 -5.1 5.2 23 30 B M H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.3 6,-1.2 0.870 113.7 44.5 -69.3 -34.6 -22.6 -2.7 3.8 24 31 B K H ><5S+ 0 0 68 -4,-1.1 3,-2.0 -5,-0.3 -2,-0.2 0.966 112.9 50.1 -71.5 -53.4 -25.1 0.1 4.1 25 32 B S H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.868 108.4 53.0 -51.4 -43.2 -26.2 -0.9 7.6 26 33 B R T 3<5S- 0 0 59 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.243 116.1-111.3 -83.3 16.6 -22.7 -1.0 8.9 27 34 B N T < 5S+ 0 0 74 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.875 84.4 120.2 58.4 41.5 -21.9 2.5 7.7 28 35 B L S - 0 0 49 -2,-0.3 4,-1.3 1,-0.1 5,-0.2 -0.302 40.8-118.1 -64.4 152.3 -19.5 -15.7 17.4 44 51 B L H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.821 114.2 52.6 -62.6 -31.6 -17.3 -12.7 18.4 45 52 B A H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 105.2 54.5 -72.2 -37.0 -15.4 -14.8 21.0 46 53 B D H 4 S+ 0 0 85 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.803 112.4 43.4 -66.9 -30.1 -14.6 -17.5 18.5 47 54 B V H >< S+ 0 0 0 -4,-1.3 3,-1.1 2,-0.2 4,-0.3 0.843 110.9 53.7 -82.7 -35.5 -13.0 -15.0 16.2 48 55 B Q H >< S+ 0 0 67 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.827 99.6 66.2 -65.8 -28.9 -11.2 -13.2 19.0 49 56 B A G >< S+ 0 0 37 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.730 81.4 76.1 -63.8 -23.7 -9.8 -16.6 19.9 50 57 B V G X S+ 0 0 0 -3,-1.1 3,-2.0 -4,-0.3 -1,-0.3 0.737 76.5 77.6 -61.7 -21.4 -7.8 -16.7 16.6 51 58 B c G < S+ 0 0 7 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.523 98.0 43.7 -68.2 -5.2 -5.3 -14.3 18.2 52 59 B S G < S+ 0 0 98 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.071 103.9 80.9-124.3 19.7 -3.8 -17.1 20.1 53 60 B Q S < S- 0 0 44 -3,-2.0 2,-0.3 1,-0.2 15,-0.1 0.089 94.8 -12.1-102.9-144.8 -3.8 -19.7 17.3 54 61 B K E -C 67 0A 117 13,-1.0 13,-2.7 12,-0.1 2,-0.4 -0.388 66.2-143.0 -61.9 118.3 -1.3 -20.2 14.4 55 62 B N E +C 66 0A 68 -2,-0.3 11,-0.3 11,-0.2 2,-0.3 -0.670 30.9 161.6 -83.9 131.8 1.0 -17.2 14.1 56 63 B V E -C 65 0A 34 9,-2.6 9,-1.2 -2,-0.4 2,-0.2 -0.836 40.7 -89.7-139.0 175.1 1.9 -16.2 10.6 57 64 B A - 0 0 64 -2,-0.3 6,-0.3 7,-0.1 2,-0.2 -0.612 38.4-123.4 -89.7 150.4 3.4 -13.2 8.8 58 65 B d > - 0 0 7 4,-2.9 3,-2.4 -2,-0.2 -1,-0.1 -0.528 31.1-102.6 -86.9 161.5 1.1 -10.5 7.4 59 66 B K T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.936 123.6 56.6 -46.5 -54.3 1.2 -9.5 3.8 60 67 B N T 3 S- 0 0 123 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.620 126.6-101.2 -55.6 -15.0 3.2 -6.4 4.6 61 68 B G S < S+ 0 0 52 -3,-2.4 -2,-0.2 1,-0.3 -1,-0.1 0.502 80.8 131.9 104.0 6.1 5.8 -8.7 6.3 62 69 B Q - 0 0 112 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.272 49.7-144.6 -80.5 173.7 4.7 -8.1 9.9 63 70 B T S S+ 0 0 84 -6,-0.3 -1,-0.1 1,-0.1 -6,-0.1 0.150 71.5 98.4-131.4 23.9 4.2 -11.0 12.3 64 71 B N + 0 0 30 -9,-0.1 39,-2.8 2,-0.0 2,-0.3 -0.144 65.0 110.8 -99.0 37.2 1.3 -10.0 14.5 65 72 B d E -CD 56 102A 0 -9,-1.2 -9,-2.6 37,-0.2 2,-0.4 -0.821 48.0-165.3-113.6 151.4 -1.0 -12.1 12.3 66 73 B Y E -CD 55 101A 36 35,-2.3 35,-2.0 -2,-0.3 2,-0.4 -0.999 10.7-146.6-141.5 138.0 -2.8 -15.4 13.0 67 74 B Q E -CD 54 100A 60 -13,-2.7 -13,-1.0 -2,-0.4 33,-0.2 -0.856 28.9-115.1-104.9 134.9 -4.5 -18.0 10.9 68 75 B S E - 0 0 2 31,-2.3 4,-0.1 -2,-0.4 -18,-0.0 -0.387 11.9-136.0 -67.8 143.5 -7.5 -19.9 12.3 69 76 B Y E S+ 0 0 165 -2,-0.1 2,-0.2 29,-0.1 -1,-0.1 0.876 90.0 38.1 -65.0 -37.7 -7.0 -23.7 12.8 70 77 B S E S- 0 0 69 27,-0.1 29,-0.5 1,-0.0 2,-0.2 -0.639 89.9-103.3-112.0 169.4 -10.5 -24.2 11.2 71 78 B T E - D 0 98A 68 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.616 35.1-157.8 -88.7 151.5 -12.5 -22.7 8.4 72 79 B M E - D 0 97A 10 25,-2.8 25,-2.1 -2,-0.2 2,-0.4 -0.904 26.4 -98.1-130.0 156.0 -15.3 -20.3 9.2 73 80 B S E + D 0 96A 29 -2,-0.3 -32,-3.2 -32,-0.3 2,-0.3 -0.615 52.6 168.8 -74.9 126.8 -18.4 -19.2 7.3 74 81 B I E -BD 40 95A 0 21,-3.5 21,-2.8 -2,-0.4 2,-0.5 -0.966 29.4-144.7-139.2 155.2 -17.7 -15.9 5.6 75 82 B T E -BD 39 94A 5 -36,-2.3 -36,-2.2 -2,-0.3 2,-0.4 -0.983 15.2-150.8-123.5 119.2 -19.4 -13.7 3.0 76 83 B D E -BD 38 93A 32 17,-3.1 17,-2.5 -2,-0.5 2,-0.6 -0.766 5.4-159.3 -92.0 131.2 -17.3 -11.8 0.5 77 84 B a E -BD 37 92A 0 -40,-2.7 -40,-1.6 -2,-0.4 2,-0.5 -0.946 12.4-178.2-113.1 114.4 -18.6 -8.5 -0.8 78 85 B R E -BD 36 91A 158 13,-2.4 13,-3.7 -2,-0.6 -42,-0.2 -0.957 26.7-123.6-118.3 127.7 -17.1 -7.4 -4.1 79 86 B E E - D 0 90A 49 -44,-2.3 11,-0.3 -2,-0.5 9,-0.0 -0.460 31.2-119.9 -66.8 132.1 -18.0 -4.1 -5.9 80 87 B T > - 0 0 47 9,-1.7 3,-0.9 -2,-0.2 9,-0.2 -0.240 23.9-111.4 -66.3 162.7 -19.1 -4.7 -9.5 81 88 B G T 3 S+ 0 0 89 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.805 118.2 50.4 -67.6 -28.0 -17.1 -3.0 -12.2 82 89 B S T 3 S+ 0 0 112 2,-0.0 -1,-0.2 6,-0.0 2,-0.1 0.484 84.0 124.6 -87.6 -4.4 -19.9 -0.6 -13.1 83 90 B S < + 0 0 19 -3,-0.9 2,-0.3 6,-0.2 5,-0.2 -0.324 30.0 163.1 -63.0 135.3 -20.4 0.4 -9.4 84 91 B K B > -F 87 0B 146 3,-1.4 3,-1.3 -2,-0.1 -2,-0.0 -0.953 38.5 -64.7-155.5 133.1 -20.1 4.1 -8.7 85 92 B Y T 3 S+ 0 0 100 1,-0.3 -52,-0.0 -2,-0.3 -54,-0.0 -0.297 116.4 20.0 -60.7 141.4 -21.3 6.3 -5.7 86 93 B P T 3 S+ 0 0 88 0, 0.0 2,-1.6 0, 0.0 -1,-0.3 -1.000 126.5 56.1 -77.4 -7.3 -24.0 6.8 -4.7 87 94 B N B < S+F 84 0B 124 -3,-1.3 -3,-1.4 -54,-0.0 2,-0.1 -0.505 74.9 177.6 -88.2 71.6 -25.1 3.7 -6.6 88 95 B b - 0 0 8 -2,-1.6 2,-0.4 -5,-0.2 -59,-0.0 -0.469 7.8-165.0 -73.3 143.7 -22.8 1.1 -5.0 89 96 B A - 0 0 30 -9,-0.2 -9,-1.7 -2,-0.1 2,-0.4 -0.996 1.4-160.3-135.2 138.4 -23.2 -2.5 -6.2 90 97 B Y E -D 79 0A 8 -2,-0.4 2,-0.6 -11,-0.3 -11,-0.3 -0.931 16.6-143.3-127.3 145.8 -21.9 -5.7 -4.7 91 98 B K E -D 78 0A 123 -13,-3.7 -13,-2.4 -2,-0.4 2,-0.5 -0.897 26.9-143.2-100.3 121.1 -21.2 -9.3 -5.8 92 99 B T E +D 77 0A 54 -2,-0.6 2,-0.5 -15,-0.2 -15,-0.2 -0.782 21.2 177.8 -93.7 123.4 -22.0 -11.7 -3.0 93 100 B T E -D 76 0A 54 -17,-2.5 -17,-3.1 -2,-0.5 2,-0.2 -0.908 11.4-160.0-128.4 103.4 -19.8 -14.7 -2.5 94 101 B Q E +D 75 0A 101 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.570 26.3 150.1 -81.3 144.3 -20.5 -17.1 0.4 95 102 B A E -D 74 0A 21 -21,-2.8 -21,-3.5 -2,-0.2 2,-0.5 -0.993 46.3-122.0-166.0 169.6 -17.7 -19.4 1.6 96 103 B N E +D 73 0A 111 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.977 49.4 144.0-121.5 112.6 -15.9 -21.4 4.3 97 104 B K E -D 72 0A 49 -25,-2.1 -25,-2.8 -2,-0.5 2,-0.3 -0.961 54.2 -94.2-148.0 165.4 -12.3 -20.5 4.6 98 105 B H E -D 71 0A 46 -2,-0.3 19,-2.5 -27,-0.3 2,-0.3 -0.648 44.8-141.2 -78.6 133.7 -9.5 -20.0 7.2 99 106 B I E - E 0 116A 0 -29,-0.5 -31,-2.3 -2,-0.3 2,-0.4 -0.700 9.5-156.0 -99.3 153.6 -9.3 -16.4 8.3 100 107 B I E +DE 67 115A 16 15,-2.7 15,-1.8 -2,-0.3 14,-1.8 -0.999 18.5 177.6-129.6 124.3 -6.2 -14.5 8.9 101 108 B V E -DE 66 113A 0 -35,-2.0 -35,-2.3 -2,-0.4 2,-0.5 -0.921 28.3-128.0-128.7 154.2 -6.3 -11.5 11.2 102 109 B A E -DE 65 112A 7 10,-2.4 9,-2.6 -2,-0.3 10,-1.3 -0.885 30.5-154.2-100.5 127.9 -3.8 -9.0 12.6 103 110 B c E + E 0 110A 1 -39,-2.8 2,-0.3 -2,-0.5 5,-0.1 -0.804 20.4 158.5-109.6 148.8 -4.0 -8.7 16.4 104 111 B E E > + E 0 109A 96 5,-2.4 5,-1.9 -2,-0.3 2,-0.1 -0.986 32.9 24.0-158.8 159.3 -3.1 -5.8 18.8 105 112 B G T 5S- 0 0 57 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.234 84.4 -34.2 86.7-170.4 -3.7 -4.4 22.2 106 113 B N T 5S+ 0 0 169 1,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.935 132.9 34.2-141.3 112.1 -4.8 -5.6 25.6 107 114 B P T 5S- 0 0 94 0, 0.0 2,-1.0 0, 0.0 -3,-0.1 0.561 112.0-118.0 -63.6 161.8 -6.7 -7.8 25.5 108 115 B Y T 5 + 0 0 93 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.2 -0.633 54.4 159.6 -73.5 103.0 -5.0 -9.1 22.4 109 116 B V E < -E 104 0A 21 -5,-1.9 -5,-2.4 -2,-1.0 2,-0.1 -0.877 45.0 -87.2-129.4 161.1 -7.8 -8.7 19.8 110 117 B P E +E 103 0A 5 0, 0.0 -7,-0.2 0, 0.0 -102,-0.2 -0.412 40.1 163.7 -68.2 136.3 -8.2 -8.5 16.0 111 118 B V E + 0 0 12 -9,-2.6 2,-0.3 1,-0.3 -8,-0.2 0.451 65.8 36.1-125.3 -14.6 -8.0 -5.1 14.5 112 119 B H E -E 102 0A 103 -10,-1.3 -10,-2.4 -104,-0.0 2,-0.8 -0.999 66.5-136.1-144.9 145.1 -7.5 -6.0 10.9 113 120 B F E +E 101 0A 36 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.885 22.4 178.0-101.2 109.5 -8.7 -8.7 8.5 114 121 B D E - 0 0 30 -14,-1.8 2,-0.3 -2,-0.8 -13,-0.2 0.887 52.5 -61.3 -79.4 -42.7 -5.7 -9.9 6.5 115 122 B A E -E 100 0A 36 -15,-1.8 -15,-2.7 -77,-0.0 2,-0.4 -0.984 34.7-107.1 174.9 178.3 -7.3 -12.6 4.4 116 123 B S E E 99 0A 23 -2,-0.3 -17,-0.2 -17,-0.2 -45,-0.0 -0.978 360.0 360.0-134.7 118.4 -9.2 -15.9 3.9 117 124 B V 0 0 101 -19,-2.5 -1,-0.1 -2,-0.4 -18,-0.1 0.720 360.0 360.0-102.1 360.0 -7.6 -19.1 2.6