==== 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 07-OCT-99 1D5H . COMPND 2 MOLECULE: S PEPTIDE; . 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) . 6684.0 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 . 10 8.6 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 0 238 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.8 -14.6 7.9 19.4 2 2 A E - 0 0 74 1,-0.1 2,-0.0 4,-0.1 0, 0.0 -0.267 360.0-146.8 -59.0 121.2 -14.3 4.5 17.7 3 3 A T > - 0 0 89 -2,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.171 28.6-106.6 -76.3 173.7 -11.3 2.2 18.6 4 4 A A H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.810 120.3 49.6 -72.3 -33.6 -9.6 -0.2 16.1 5 5 A A H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.879 112.4 46.1 -74.3 -38.8 -11.2 -3.2 17.7 6 6 A A H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.852 112.8 51.3 -69.7 -36.8 -14.7 -1.7 17.7 7 7 A K H X S+ 0 0 90 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.922 108.3 51.6 -64.6 -45.1 -14.2 -0.6 14.1 8 8 A A H X S+ 0 0 6 -4,-1.9 4,-2.0 1,-0.2 5,-0.3 0.889 110.7 48.4 -57.9 -44.5 -13.1 -4.1 13.1 9 9 A E H X S+ 0 0 63 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.873 112.3 48.9 -64.2 -39.6 -16.2 -5.7 14.7 10 10 A R H < S+ 0 0 58 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 117.3 40.3 -69.7 -38.3 -18.5 -3.1 13.0 11 11 A Q H < S+ 0 0 26 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.749 132.4 19.5 -84.3 -20.3 -16.9 -3.7 9.6 12 12 A H H < S+ 0 0 20 -4,-2.0 28,-3.6 -5,-0.2 2,-0.4 0.667 94.9 94.2-126.0 -15.2 -16.5 -7.4 9.7 13 13 A M B < +a 40 0A 16 -4,-2.0 28,-0.2 -5,-0.3 30,-0.1 -0.652 23.2 155.3 -90.6 121.6 -18.8 -9.2 12.4 14 14 A D 0 0 34 26,-2.9 -1,-0.1 -2,-0.4 29,-0.1 -0.451 360.0 360.0-136.6 66.8 -22.0 -10.6 11.5 15 15 A X 0 0 137 26,-0.2 28,-0.2 0, 0.0 26,-0.1 -0.110 360.0 360.0 -47.9 360.0 -22.4 -13.2 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 0 110 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 114.9 -28.6 -8.1 -2.0 18 25 B Y H > + 0 0 79 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.900 360.0 49.6 -52.3 -44.5 -27.1 -9.0 1.4 19 26 B a H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 109.8 48.7 -65.2 -42.9 -23.9 -7.1 0.6 20 27 B N H > S+ 0 0 52 2,-0.2 4,-1.0 70,-0.2 -1,-0.2 0.883 116.5 44.5 -65.4 -37.9 -25.5 -4.0 -0.6 21 28 B Q H X S+ 0 0 128 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 117.1 42.9 -72.9 -44.7 -27.7 -3.9 2.6 22 29 B M H X S+ 0 0 30 -4,-3.0 4,-2.4 -5,-0.2 6,-0.2 0.871 109.9 54.6 -73.1 -36.7 -25.0 -4.8 5.1 23 30 B M H <>S+ 0 0 0 -4,-2.2 5,-3.2 -5,-0.3 6,-1.3 0.894 115.8 42.2 -62.4 -38.0 -22.3 -2.5 3.7 24 31 B K H ><5S+ 0 0 100 -4,-1.0 3,-2.8 -5,-0.2 -2,-0.2 0.979 113.5 49.3 -69.5 -59.9 -24.9 0.4 4.0 25 32 B S H 3<5S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.839 110.4 52.1 -50.5 -41.0 -26.2 -0.6 7.4 26 33 B R T 3<5S- 0 0 61 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.311 117.8-111.8 -82.9 11.4 -22.8 -0.9 8.8 27 34 B N T < 5S+ 0 0 75 -3,-2.8 -3,-0.2 -5,-0.1 -2,-0.1 0.867 83.7 119.4 66.0 34.7 -21.8 2.6 7.6 28 35 B L S - 0 0 46 -2,-0.3 4,-1.4 -28,-0.2 5,-0.2 -0.356 40.2-119.4 -63.6 151.7 -19.6 -15.6 17.3 44 51 B L H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.906 113.5 52.7 -60.1 -45.2 -17.5 -12.6 18.4 45 52 B A H > S+ 0 0 64 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 106.3 52.9 -60.5 -41.6 -15.7 -14.7 21.0 46 53 B D H 4 S+ 0 0 88 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.809 111.3 46.1 -64.9 -32.2 -14.8 -17.4 18.5 47 54 B V H >< S+ 0 0 3 -4,-1.4 3,-0.9 -3,-0.3 4,-0.4 0.855 109.6 53.9 -76.0 -35.9 -13.2 -14.9 16.1 48 55 B Q H >< S+ 0 0 57 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.779 98.8 65.4 -67.1 -26.1 -11.3 -13.2 19.0 49 56 B A G >< S+ 0 0 44 -4,-1.5 3,-1.8 1,-0.2 -1,-0.2 0.757 83.6 75.6 -65.0 -26.6 -9.9 -16.6 19.9 50 57 B V G X S+ 0 0 0 -3,-0.9 3,-3.0 -4,-0.4 -1,-0.2 0.840 78.1 73.8 -56.2 -32.0 -8.0 -16.7 16.6 51 58 B c G < S+ 0 0 6 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.1 0.438 99.7 47.0 -64.3 3.2 -5.5 -14.2 18.0 52 59 B S G < S+ 0 0 103 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.229 102.2 73.8-127.4 9.9 -4.3 -17.2 20.0 53 60 B Q S < S- 0 0 51 -3,-3.0 2,-0.7 1,-0.2 15,-0.1 0.330 97.2 -5.8-100.2-131.4 -4.0 -19.8 17.3 54 61 B K E -D 67 0B 124 13,-1.4 13,-2.7 1,-0.1 2,-0.4 -0.506 65.2-145.3 -74.7 109.0 -1.5 -20.2 14.4 55 62 B N E +D 66 0B 78 -2,-0.7 2,-0.3 11,-0.2 11,-0.3 -0.562 31.7 159.4 -74.1 127.3 0.9 -17.2 14.3 56 63 B V E -D 65 0B 38 9,-2.4 9,-1.2 -2,-0.4 2,-0.1 -0.894 42.8 -84.1-141.2 170.3 1.9 -16.3 10.8 57 64 B A - 0 0 61 -2,-0.3 6,-0.3 7,-0.1 2,-0.2 -0.449 38.5-128.9 -77.3 150.7 3.3 -13.3 9.0 58 65 B d > - 0 0 7 4,-4.5 3,-2.0 -2,-0.1 -1,-0.1 -0.543 31.8-101.4 -90.9 164.4 1.0 -10.6 7.7 59 66 B K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.927 122.6 57.1 -51.4 -51.0 1.2 -9.4 4.1 60 67 B N T 3 S- 0 0 118 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.446 124.2-103.4 -65.7 2.2 3.2 -6.3 5.1 61 68 B G S < S+ 0 0 52 -3,-2.0 -1,-0.1 1,-0.4 -2,-0.1 0.142 82.6 129.1 98.1 -21.1 5.8 -8.6 6.6 62 69 B Q - 0 0 115 -5,-0.1 -4,-4.5 1,-0.1 -1,-0.4 -0.309 50.7-147.2 -64.8 150.9 4.8 -8.0 10.2 63 70 B T + 0 0 80 -6,-0.3 -1,-0.1 1,-0.2 -6,-0.1 -0.115 68.6 103.2-119.2 40.6 4.1 -11.1 12.3 64 71 B N + 0 0 28 -9,-0.1 39,-3.3 2,-0.0 2,-0.3 -0.134 62.2 111.8-106.0 34.8 1.3 -10.2 14.7 65 72 B d E -DE 56 102B 0 -9,-1.2 -9,-2.4 37,-0.3 2,-0.3 -0.754 48.3-164.4-109.0 155.9 -1.1 -12.2 12.4 66 73 B Y E -DE 55 101B 33 35,-2.1 35,-2.0 -2,-0.3 2,-0.4 -0.999 9.7-146.1-145.3 139.5 -2.9 -15.4 13.1 67 74 B Q E -DE 54 100B 52 -13,-2.7 -13,-1.4 -2,-0.3 33,-0.2 -0.848 28.8-111.8-106.8 139.2 -4.7 -18.0 11.0 68 75 B S - 0 0 2 31,-2.3 4,-0.1 -2,-0.4 -21,-0.0 -0.426 14.7-136.4 -70.6 140.9 -7.7 -19.9 12.3 69 76 B Y S S+ 0 0 164 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.907 90.1 32.1 -62.1 -42.6 -7.2 -23.6 12.8 70 77 B S S S- 0 0 75 27,-0.1 29,-0.5 1,-0.1 2,-0.1 -0.685 94.2 -96.5-113.6 166.8 -10.6 -24.3 11.1 71 78 B T - 0 0 68 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.431 37.5-152.5 -78.4 156.5 -12.5 -22.6 8.3 72 79 B M E - C 0 97A 11 25,-2.3 25,-2.1 -2,-0.1 2,-0.6 -0.897 24.0 -98.5-129.9 158.8 -15.3 -20.2 9.2 73 80 B S E + C 0 96A 30 -2,-0.3 -32,-3.0 23,-0.2 2,-0.3 -0.668 56.3 154.6 -80.1 119.4 -18.5 -19.0 7.4 74 81 B I E -BC 40 95A 0 21,-2.9 21,-2.7 -2,-0.6 2,-0.4 -0.942 33.5-147.6-140.7 162.2 -17.9 -15.8 5.5 75 82 B T E -BC 39 94A 5 -36,-1.8 -36,-2.1 -2,-0.3 2,-0.4 -0.995 16.5-142.0-134.9 129.6 -19.2 -13.8 2.6 76 83 B D E -BC 38 93A 33 17,-3.0 17,-1.9 -2,-0.4 2,-0.6 -0.770 8.4-153.3 -90.9 132.1 -17.0 -11.7 0.4 77 84 B a E -BC 37 92A 0 -40,-3.0 -40,-2.0 -2,-0.4 2,-0.4 -0.952 17.6-179.6-109.2 121.6 -18.5 -8.4 -0.8 78 85 B R E -BC 36 91A 157 13,-1.9 13,-2.8 -2,-0.6 -42,-0.2 -0.988 27.1-123.7-128.9 125.3 -16.9 -7.2 -4.1 79 86 B E E - C 0 90A 48 -44,-2.8 11,-0.3 -2,-0.4 9,-0.0 -0.403 30.6-130.2 -64.8 135.3 -17.9 -4.1 -6.0 80 87 B T > - 0 0 53 9,-2.2 3,-0.8 -2,-0.1 9,-0.2 -0.240 23.7-103.7 -80.2 177.6 -18.9 -4.7 -9.6 81 88 B G T 3 S+ 0 0 90 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 0.761 119.5 54.8 -71.7 -27.8 -17.5 -2.9 -12.6 82 89 B S T 3 S+ 0 0 112 2,-0.0 2,-0.4 7,-0.0 -1,-0.2 -0.142 82.6 114.9-101.0 36.4 -20.7 -0.9 -12.9 83 90 B S < + 0 0 18 -3,-0.8 2,-0.3 6,-0.1 5,-0.2 -0.902 32.5 155.4-109.3 135.4 -20.6 0.5 -9.3 84 91 B K B > -G 87 0C 145 3,-0.9 3,-1.2 -2,-0.4 -52,-0.0 -0.920 48.5 -57.7-163.5 137.8 -20.2 4.3 -8.7 85 92 B Y T 3 S+ 0 0 102 1,-0.3 2,-0.6 -2,-0.3 -54,-0.0 -0.020 120.8 23.7 -27.9 170.1 -21.1 6.7 -5.8 86 93 B P T 3 S+ 0 0 91 0, 0.0 2,-1.4 0, 0.0 -1,-0.3 -0.936 128.3 46.4 -8.7 -43.3 -24.4 7.0 -4.9 87 94 B N B < S+G 84 0C 127 -3,-1.2 -3,-0.9 -2,-0.6 -2,-0.1 -0.513 71.9 179.2 -97.6 72.3 -25.2 3.7 -6.3 88 95 B b - 0 0 18 -2,-1.4 2,-0.4 -59,-0.2 -5,-0.1 -0.353 9.5-165.2 -64.9 144.7 -22.6 1.2 -5.0 89 96 B A - 0 0 28 -9,-0.2 -9,-2.2 -2,-0.0 2,-0.3 -1.000 3.9-167.0-139.5 135.5 -23.2 -2.4 -6.2 90 97 B Y E -C 79 0A 8 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.2 -0.860 20.2-136.6-125.4 155.8 -21.7 -5.6 -4.9 91 98 B K E -C 78 0A 120 -13,-2.8 -13,-1.9 -2,-0.3 2,-0.5 -0.947 28.3-141.0-107.4 127.6 -21.4 -9.2 -5.9 92 99 B T E +C 77 0A 47 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.803 21.1 178.8 -98.5 130.3 -22.0 -11.6 -2.9 93 100 B T E -C 76 0A 64 -17,-1.9 -17,-3.0 -2,-0.5 2,-0.2 -0.930 11.4-158.4-135.0 109.1 -19.9 -14.7 -2.5 94 101 B Q E +C 75 0A 104 -2,-0.4 2,-0.3 -19,-0.3 -19,-0.3 -0.604 26.5 151.1 -84.1 145.9 -20.4 -17.1 0.5 95 102 B A E -C 74 0A 31 -21,-2.7 -21,-2.9 -2,-0.2 2,-0.5 -0.967 41.4-123.8-163.2 170.2 -17.6 -19.4 1.4 96 103 B N E +C 73 0A 105 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.997 48.3 136.1-125.1 122.0 -15.9 -21.3 4.2 97 104 B K E -C 72 0A 39 -25,-2.1 -25,-2.3 -2,-0.5 2,-0.4 -0.993 56.2 -79.9-162.5 168.0 -12.3 -20.6 4.8 98 105 B H - 0 0 49 -2,-0.3 19,-2.7 -27,-0.3 2,-0.2 -0.574 45.8-146.8 -74.4 124.0 -9.5 -19.9 7.2 99 106 B I E - F 0 116B 1 -29,-0.5 -31,-2.3 -2,-0.4 2,-0.4 -0.584 5.6-153.8 -91.9 158.0 -9.4 -16.3 8.3 100 107 B I E -EF 67 115B 14 15,-2.0 15,-1.5 -33,-0.2 14,-1.4 -0.987 15.2-179.1-133.3 119.4 -6.3 -14.4 9.1 101 108 B V E -EF 66 113B 0 -35,-2.0 -35,-2.1 -2,-0.4 2,-0.4 -0.906 24.3-132.6-120.0 147.8 -6.5 -11.4 11.5 102 109 B A E -EF 65 112B 7 10,-1.9 9,-2.4 -2,-0.4 10,-1.2 -0.790 32.4-147.9 -93.5 140.4 -3.8 -9.1 12.7 103 110 B c E + F 0 110B 1 -39,-3.3 2,-0.3 -2,-0.4 5,-0.1 -0.878 23.8 157.6-124.0 156.0 -3.9 -8.7 16.4 104 111 B E E > + F 0 109B 103 5,-2.4 5,-1.5 -2,-0.4 2,-0.2 -0.993 33.0 24.5-166.0 155.0 -3.2 -6.0 18.9 105 112 B G T 5S- 0 0 56 -2,-0.3 3,-0.1 3,-0.2 6,-0.0 -0.460 82.7 -45.5 89.7-165.9 -3.7 -4.6 22.4 106 113 B N T 5S+ 0 0 160 1,-0.3 2,-0.2 -2,-0.2 -1,-0.1 -0.854 131.1 43.0-152.5 111.5 -4.8 -6.0 25.7 107 114 B P T 5S- 0 0 96 0, 0.0 2,-1.0 0, 0.0 -1,-0.3 0.502 110.2-125.2 -59.2 147.4 -7.0 -7.8 25.6 108 115 B Y T 5 + 0 0 102 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.1 -0.639 53.1 153.6 -71.8 99.3 -5.2 -9.2 22.5 109 116 B V E < -F 104 0B 21 -5,-1.5 -5,-2.4 -2,-1.0 2,-0.1 -0.839 48.8 -78.2-127.1 167.6 -8.0 -8.9 19.9 110 117 B P E +F 103 0B 11 0, 0.0 -7,-0.2 0, 0.0 -102,-0.2 -0.442 38.6 169.2 -70.8 136.2 -8.3 -8.5 16.1 111 118 B V E + 0 0 15 -9,-2.4 2,-0.3 1,-0.3 -8,-0.2 0.500 67.2 24.2-116.7 -16.8 -7.7 -5.0 14.7 112 119 B H E -F 102 0B 110 -10,-1.2 -10,-1.9 -104,-0.0 2,-0.8 -0.995 65.7-128.8-148.2 154.4 -7.5 -5.9 11.0 113 120 B F E +F 101 0B 46 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.883 29.3 172.7-108.3 102.4 -8.7 -8.5 8.5 114 121 B D E - 0 0 29 -14,-1.4 2,-0.3 -2,-0.8 -13,-0.2 0.662 53.4 -44.5 -82.7 -23.9 -5.6 -9.6 6.6 115 122 B A E -F 100 0B 35 -15,-1.5 -15,-2.0 -57,-0.0 2,-0.2 -0.994 35.1-126.8 177.5-173.3 -7.0 -12.5 4.6 116 123 B S E F 99 0B 30 -2,-0.3 -17,-0.3 -17,-0.3 -45,-0.0 -0.788 360.0 360.0-165.5 110.6 -9.0 -15.7 4.2 117 124 B V 0 0 98 -19,-2.7 -18,-0.1 -2,-0.2 -21,-0.1 0.908 360.0 360.0 -96.8 360.0 -7.5 -18.9 2.7