==== 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 1J82 . 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) . 6552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 61.2 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 . 10 8.6 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 0 243 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -91.5 -14.5 7.8 19.6 2 2 A E - 0 0 71 4,-0.0 2,-0.0 2,-0.0 0, 0.0 -0.804 360.0-143.8 -94.8 125.6 -14.4 4.4 17.8 3 3 A T > - 0 0 87 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.257 26.5-104.5 -80.5 171.2 -11.4 2.2 18.6 4 4 A A H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.855 122.7 48.8 -64.0 -35.8 -9.6 -0.1 16.1 5 5 A A H > S+ 0 0 26 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.834 110.4 50.1 -73.8 -33.1 -11.2 -3.1 17.7 6 6 A A H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.851 108.8 53.2 -71.8 -35.5 -14.7 -1.6 17.6 7 7 A K H X S+ 0 0 89 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.938 106.6 51.9 -63.9 -47.7 -14.2 -0.7 13.9 8 8 A F H X S+ 0 0 5 -4,-1.8 4,-2.6 1,-0.2 5,-0.5 0.935 110.7 49.2 -53.3 -49.0 -13.3 -4.3 13.1 9 9 A E H X S+ 0 0 68 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.874 113.5 44.0 -60.2 -43.0 -16.5 -5.5 14.8 10 10 A R H < S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.905 120.0 42.7 -71.0 -39.6 -18.8 -3.1 13.0 11 11 A Q H < S+ 0 0 19 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.760 130.9 16.2 -79.1 -28.4 -17.1 -3.7 9.6 12 12 A H H < S+ 0 0 15 -4,-2.6 28,-3.2 -5,-0.3 2,-0.4 0.627 95.0 96.3-123.7 -16.7 -16.7 -7.5 9.8 13 13 A M B < +a 40 0A 12 -4,-1.5 28,-0.1 -5,-0.5 30,-0.1 -0.644 25.7 147.9 -88.2 134.6 -18.8 -9.2 12.4 14 14 A D 0 0 41 26,-2.1 29,-0.1 -2,-0.4 -1,-0.1 -0.271 360.0 360.0-157.2 62.1 -22.2 -10.7 11.7 15 15 A S 0 0 103 27,-0.2 28,-0.1 26,-0.1 -1,-0.1 0.926 360.0 360.0 -53.0 360.0 -22.9 -13.7 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,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 123.2 -28.7 -8.2 -1.9 18 25 B Y H > + 0 0 67 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.887 360.0 47.7 -51.8 -45.8 -27.1 -9.1 1.5 19 26 B a H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.922 109.6 50.8 -65.4 -45.5 -23.9 -7.1 0.7 20 27 B N H > S+ 0 0 50 70,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.809 117.2 42.6 -63.6 -28.0 -25.6 -4.0 -0.6 21 28 B Q H X S+ 0 0 117 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.920 115.6 43.8 -84.7 -48.4 -27.7 -4.0 2.6 22 29 B M H X S+ 0 0 27 -4,-2.9 4,-2.9 2,-0.2 6,-0.2 0.874 111.7 53.6 -65.8 -38.9 -25.1 -4.8 5.2 23 30 B M H <>S+ 0 0 0 -4,-2.3 5,-3.5 -5,-0.3 6,-1.3 0.904 114.6 44.2 -61.7 -38.1 -22.5 -2.5 3.8 24 31 B K H ><5S+ 0 0 104 -4,-0.6 3,-2.0 -5,-0.3 -2,-0.2 0.973 114.8 45.9 -69.1 -56.5 -25.1 0.2 4.0 25 32 B S H 3<5S+ 0 0 83 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.888 110.5 53.4 -53.9 -45.8 -26.4 -0.6 7.5 26 33 B R T 3<5S- 0 0 64 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.295 116.3-115.3 -76.3 11.1 -22.9 -0.9 8.9 27 34 B N T < 5S+ 0 0 68 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.888 80.5 125.5 57.5 41.9 -22.1 2.5 7.5 28 35 B L S - 0 0 48 -2,-0.3 4,-1.5 -28,-0.1 5,-0.2 -0.294 38.3-122.6 -63.6 151.0 -19.6 -15.7 17.2 44 51 B L H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 111.4 52.4 -63.5 -38.1 -17.4 -12.8 18.3 45 52 B A H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.902 107.8 52.3 -65.0 -41.6 -15.7 -14.8 21.0 46 53 B D H 4 S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.831 112.8 44.4 -62.9 -34.1 -14.9 -17.6 18.6 47 54 B V H >< S+ 0 0 0 -4,-1.5 3,-1.3 1,-0.2 4,-0.2 0.850 110.1 54.3 -78.3 -36.6 -13.3 -15.0 16.2 48 55 B Q H >< S+ 0 0 66 -4,-2.4 3,-1.4 1,-0.3 -2,-0.2 0.773 97.3 67.9 -65.9 -27.1 -11.4 -13.3 19.0 49 56 B A G >< S+ 0 0 38 -4,-1.5 3,-1.5 1,-0.3 -1,-0.3 0.679 80.5 78.1 -66.6 -17.6 -10.0 -16.7 20.0 50 57 B V G X S+ 0 0 0 -3,-1.3 3,-2.0 1,-0.3 -1,-0.3 0.764 74.2 77.0 -64.7 -23.0 -8.0 -16.6 16.7 51 58 B c G < S+ 0 0 9 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.457 99.2 43.7 -68.5 1.5 -5.5 -14.2 18.3 52 59 B S G < S+ 0 0 95 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.147 101.8 80.8-128.9 15.8 -4.0 -17.2 20.1 53 60 B Q S < S- 0 0 47 -3,-2.0 2,-0.6 1,-0.2 15,-0.1 0.247 94.7 -11.5 -99.2-137.4 -4.0 -19.7 17.3 54 61 B K E -D 67 0B 117 13,-1.3 13,-2.9 1,-0.1 2,-0.2 -0.498 66.2-144.0 -70.5 112.0 -1.5 -20.3 14.5 55 62 B N E +D 66 0B 69 -2,-0.6 2,-0.3 11,-0.2 11,-0.3 -0.540 31.3 158.8 -75.5 136.6 0.9 -17.3 14.2 56 63 B V E -D 65 0B 39 9,-2.4 9,-1.3 -2,-0.2 2,-0.2 -0.899 43.0 -82.7-147.5 173.6 1.9 -16.3 10.7 57 64 B A - 0 0 60 -2,-0.3 6,-0.3 7,-0.1 2,-0.1 -0.523 41.5-124.5 -83.2 150.6 3.3 -13.3 8.8 58 65 B d > - 0 0 9 4,-3.9 3,-1.9 -2,-0.2 -1,-0.1 -0.473 29.8-103.2 -87.2 165.2 0.9 -10.6 7.6 59 66 B K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.895 123.6 54.7 -54.1 -41.7 0.8 -9.5 3.9 60 67 B N T 3 S- 0 0 126 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.477 122.4-105.4 -72.8 -4.2 2.8 -6.4 4.8 61 68 B G S < S+ 0 0 51 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 -0.039 81.8 122.5 105.8 -34.1 5.6 -8.5 6.4 62 69 B Q - 0 0 113 -5,-0.1 -4,-3.9 1,-0.1 -1,-0.4 -0.204 57.4-138.4 -59.2 157.9 4.8 -7.8 10.1 63 70 B T S S+ 0 0 80 -6,-0.3 -1,-0.1 1,-0.1 -6,-0.1 -0.138 70.4 103.8-118.6 41.4 4.1 -10.9 12.2 64 71 B N + 0 0 26 -9,-0.1 39,-2.4 2,-0.0 2,-0.3 -0.197 59.2 111.5-108.6 39.5 1.2 -10.2 14.5 65 72 B d E -DE 56 102B 0 -9,-1.3 -9,-2.4 37,-0.2 2,-0.4 -0.807 47.3-162.6-113.4 155.2 -1.2 -12.2 12.3 66 73 B Y E -DE 55 101B 36 35,-2.3 35,-2.0 -2,-0.3 2,-0.4 -1.000 8.0-146.4-142.1 140.8 -3.0 -15.5 13.1 67 74 B Q E -DE 54 100B 58 -13,-2.9 -13,-1.3 -2,-0.4 33,-0.2 -0.826 26.1-114.3-106.8 142.6 -4.7 -18.1 11.1 68 75 B S - 0 0 1 31,-1.8 4,-0.1 -2,-0.4 -18,-0.0 -0.511 11.7-138.6 -76.7 140.4 -7.7 -20.2 12.2 69 76 B Y S S+ 0 0 167 -2,-0.2 2,-0.2 29,-0.1 -1,-0.1 0.896 89.1 35.5 -62.1 -40.2 -7.2 -23.9 12.7 70 77 B S S S- 0 0 70 27,-0.1 29,-0.4 1,-0.1 2,-0.2 -0.515 91.8 -98.4-109.5 175.1 -10.7 -24.4 11.1 71 78 B T - 0 0 66 -2,-0.2 2,-0.3 27,-0.2 27,-0.2 -0.605 36.3-156.3 -91.8 155.1 -12.7 -22.9 8.4 72 79 B M E - C 0 97A 12 25,-2.2 25,-1.7 -2,-0.2 2,-0.4 -0.922 25.4 -96.9-132.7 157.8 -15.5 -20.3 9.2 73 80 B S E + C 0 96A 28 -2,-0.3 -32,-3.2 23,-0.2 2,-0.3 -0.599 54.0 164.4 -76.6 125.8 -18.6 -19.1 7.5 74 81 B I E -BC 40 95A 0 21,-3.1 21,-2.7 -2,-0.4 2,-0.4 -0.964 32.2-145.9-142.4 159.0 -18.0 -15.9 5.6 75 82 B T E -BC 39 94A 3 -36,-2.1 -36,-2.2 -2,-0.3 2,-0.4 -0.997 16.0-150.5-127.0 125.7 -19.5 -13.7 2.9 76 83 B D E -BC 38 93A 34 17,-3.2 17,-2.3 -2,-0.4 2,-0.6 -0.828 6.5-157.7 -98.1 133.6 -17.3 -11.8 0.5 77 84 B a E +BC 37 92A 0 -40,-2.6 -40,-1.4 -2,-0.4 2,-0.4 -0.956 13.4 179.3-115.9 117.6 -18.5 -8.5 -0.8 78 85 B R E -BC 36 91A 149 13,-2.1 13,-3.5 -2,-0.6 -42,-0.2 -0.967 25.7-127.1-121.6 128.2 -17.0 -7.3 -4.1 79 86 B E E - C 0 90A 49 -44,-2.1 11,-0.3 -2,-0.4 9,-0.0 -0.422 28.0-124.9 -70.1 145.8 -18.0 -4.1 -5.9 80 87 B T - 0 0 58 9,-1.8 3,-0.2 -2,-0.1 9,-0.2 -0.245 22.0-108.0 -82.1 178.9 -18.9 -4.6 -9.6 81 88 B G S S+ 0 0 85 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 0.857 116.7 51.1 -77.2 -34.8 -17.2 -2.7 -12.4 82 89 B S S S+ 0 0 113 2,-0.0 -1,-0.2 6,-0.0 2,-0.0 0.562 84.6 120.3 -77.6 -10.5 -20.2 -0.4 -13.2 83 90 B S + 0 0 17 -3,-0.2 2,-0.3 6,-0.2 5,-0.2 -0.307 32.5 157.8 -61.5 135.6 -20.5 0.6 -9.5 84 91 B K B > -G 87 0C 144 3,-1.7 3,-2.5 -52,-0.0 -52,-0.0 -0.956 40.8 -62.1-159.4 139.2 -20.1 4.3 -8.7 85 92 B Y T 3 S+ 0 0 106 1,-0.4 -52,-0.0 -2,-0.3 -54,-0.0 -0.379 119.3 26.1 -62.6 141.5 -21.1 6.6 -5.8 86 93 B P T 3 S+ 0 0 94 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 -0.979 127.8 49.7 -83.2 7.4 -23.9 7.2 -5.0 87 94 B N B < S-G 84 0C 120 -3,-2.5 -3,-1.7 -54,-0.0 2,-0.2 -0.701 70.4-179.0-108.6 83.7 -25.0 3.8 -6.4 88 95 B b - 0 0 22 -2,-0.8 2,-0.4 -5,-0.2 -59,-0.0 -0.544 6.5-164.7 -78.3 145.3 -22.6 1.2 -5.1 89 96 B A - 0 0 30 -2,-0.2 -9,-1.8 -9,-0.2 2,-0.3 -0.996 2.7-163.9-134.0 139.0 -23.2 -2.4 -6.3 90 97 B Y E -C 79 0A 11 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.3 -0.942 18.0-140.5-129.5 149.0 -21.8 -5.6 -4.8 91 98 B K E -C 78 0A 117 -13,-3.5 -13,-2.1 -2,-0.3 2,-0.5 -0.909 27.0-143.1-103.4 123.9 -21.3 -9.3 -5.9 92 99 B T E +C 77 0A 49 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.797 20.6 178.3 -96.5 125.4 -22.1 -11.6 -2.9 93 100 B T E -C 76 0A 57 -17,-2.3 -17,-3.2 -2,-0.5 2,-0.3 -0.937 10.8-160.2-129.3 110.0 -20.0 -14.8 -2.5 94 101 B Q E +C 75 0A 102 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.644 26.6 145.7 -87.0 143.4 -20.6 -17.1 0.5 95 102 B A E -C 74 0A 31 -21,-2.7 -21,-3.1 -2,-0.3 2,-0.5 -0.986 46.4-117.5-166.6 171.8 -17.9 -19.5 1.6 96 103 B N E +C 73 0A 98 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.937 49.7 142.0-124.3 106.2 -16.2 -21.4 4.4 97 104 B K E -C 72 0A 55 -25,-1.7 -25,-2.2 -2,-0.5 2,-0.2 -0.927 53.9 -90.3-142.4 166.2 -12.5 -20.6 4.7 98 105 B H - 0 0 46 -2,-0.3 19,-1.1 -27,-0.2 2,-0.3 -0.510 45.0-139.1 -73.5 141.9 -9.7 -20.1 7.3 99 106 B I E - F 0 116B 0 -29,-0.4 -31,-1.8 17,-0.2 2,-0.5 -0.778 8.7-153.7-106.5 153.3 -9.4 -16.4 8.4 100 107 B I E +EF 67 115B 15 15,-3.0 14,-2.3 -2,-0.3 15,-1.6 -0.967 20.3 174.8-126.8 113.6 -6.3 -14.4 9.0 101 108 B V E -EF 66 113B 0 -35,-2.0 -35,-2.3 -2,-0.5 2,-0.5 -0.879 27.3-132.1-120.9 151.3 -6.5 -11.5 11.4 102 109 B A E -EF 65 112B 8 10,-2.0 9,-2.4 -2,-0.3 10,-1.1 -0.885 28.4-151.1-100.4 128.7 -3.9 -9.1 12.9 103 110 B c E + F 0 110B 1 -39,-2.4 2,-0.3 -2,-0.5 5,-0.1 -0.722 22.6 157.4-107.4 154.5 -4.1 -8.7 16.6 104 111 B E E > + F 0 109B 107 5,-2.4 5,-1.8 -2,-0.3 2,-0.1 -0.976 33.5 34.6-163.9 156.1 -3.2 -5.8 18.9 105 112 B G T 5S- 0 0 57 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.313 83.2 -45.1 94.6-176.4 -4.0 -4.5 22.4 106 113 B N T 5S+ 0 0 165 1,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.904 133.2 36.7-141.5 107.5 -4.8 -5.7 25.8 107 114 B P T 5S- 0 0 97 0, 0.0 2,-0.9 0, 0.0 -1,-0.3 0.493 112.6-119.8 -64.7 157.4 -6.8 -7.8 25.7 108 115 B Y T 5 + 0 0 94 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.2 -0.591 53.2 157.4 -72.0 102.3 -5.1 -9.1 22.5 109 116 B V E < -F 104 0B 23 -5,-1.8 -5,-2.4 -2,-0.9 2,-0.1 -0.865 45.7 -85.6-129.0 163.3 -7.9 -8.8 19.9 110 117 B P E +F 103 0B 6 0, 0.0 -7,-0.2 0, 0.0 -102,-0.2 -0.373 39.0 166.0 -68.2 141.9 -8.3 -8.5 16.1 111 118 B V E + 0 0 12 -9,-2.4 2,-0.3 1,-0.4 -8,-0.1 0.438 65.7 32.7-131.1 -13.5 -8.0 -5.0 14.6 112 119 B H E -F 102 0B 113 -10,-1.1 -10,-2.0 -105,-0.0 2,-0.7 -0.996 67.3-132.7-147.7 148.5 -7.6 -5.8 10.9 113 120 B F E +F 101 0B 42 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.911 25.9 175.5-102.1 112.9 -8.7 -8.5 8.5 114 121 B D E - 0 0 38 -14,-2.3 2,-0.3 -2,-0.7 -13,-0.2 0.891 52.8 -52.5 -87.0 -44.2 -5.7 -9.7 6.5 115 122 B A E -F 100 0B 35 -15,-1.6 -15,-3.0 -56,-0.0 2,-0.4 -0.984 37.3-116.4-176.5-178.1 -7.1 -12.5 4.4 116 123 B S E F 99 0B 24 -2,-0.3 -17,-0.2 -17,-0.3 -49,-0.0 -0.921 360.0 360.0-144.0 111.3 -9.0 -15.8 4.2 117 124 B V 0 0 95 -19,-1.1 -1,-0.1 -2,-0.4 -18,-0.1 0.829 360.0 360.0 -89.4 360.0 -7.3 -19.0 3.0