==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-OCT-99 1D5D . 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) . 6801.0 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 . 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 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 0 251 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -89.3 -14.2 8.1 19.3 2 2 A E - 0 0 77 4,-0.0 2,-0.1 2,-0.0 0, 0.0 -0.816 360.0-132.3 -98.7 131.6 -14.3 4.5 18.0 3 3 A T > - 0 0 87 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.371 21.5-113.7 -78.4 162.5 -11.5 2.1 18.9 4 4 A A H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.802 119.4 52.6 -65.0 -30.4 -9.7 -0.0 16.3 5 5 A A H > S+ 0 0 28 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.835 110.6 46.8 -74.6 -33.6 -11.2 -3.1 18.0 6 6 A A H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.899 110.3 52.6 -72.8 -42.6 -14.7 -1.7 17.7 7 7 A K H X S+ 0 0 95 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.925 105.9 54.8 -57.9 -47.8 -14.2 -0.6 14.1 8 8 A M H X S+ 0 0 12 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.912 110.4 45.6 -52.9 -47.2 -13.1 -4.1 13.2 9 9 A E H X S+ 0 0 69 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.884 113.0 49.1 -66.7 -40.7 -16.3 -5.6 14.6 10 10 A R H < S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.845 118.6 39.9 -68.3 -32.4 -18.6 -3.1 13.0 11 11 A Q H < S+ 0 0 31 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.814 131.7 18.2 -86.8 -33.0 -17.0 -3.6 9.6 12 12 A H H < S+ 0 0 20 -4,-2.4 28,-3.4 -5,-0.2 2,-0.5 0.472 97.9 91.2-121.1 -3.9 -16.4 -7.4 9.6 13 13 A L B < +a 40 0A 20 -4,-1.9 28,-0.2 -5,-0.3 30,-0.1 -0.845 26.5 155.2-105.5 130.4 -18.6 -9.1 12.1 14 14 A D 0 0 34 26,-2.6 29,-0.1 -2,-0.5 -1,-0.1 -0.477 360.0 360.0-143.8 64.9 -22.1 -10.5 11.4 15 15 A X 0 0 135 26,-0.2 28,-0.1 27,-0.0 -1,-0.1 0.926 360.0 360.0 -67.4 360.0 -22.6 -13.2 14.0 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 0 107 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 113.0 -28.5 -8.0 -2.0 18 25 B Y H > + 0 0 58 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.869 360.0 51.6 -47.9 -45.6 -27.0 -8.8 1.4 19 26 B a H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.899 109.1 47.9 -62.9 -44.8 -23.8 -6.9 0.5 20 27 B N H > S+ 0 0 56 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.898 117.5 42.7 -64.9 -38.6 -25.4 -3.7 -0.6 21 28 B Q H X S+ 0 0 106 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.901 116.2 45.1 -75.4 -42.4 -27.6 -3.7 2.5 22 29 B M H X S+ 0 0 17 -4,-2.9 4,-2.4 -5,-0.2 6,-0.2 0.856 111.6 52.4 -69.9 -36.8 -25.0 -4.6 5.1 23 30 B M H <>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.3 6,-1.8 0.864 116.0 42.2 -66.4 -35.2 -22.4 -2.3 3.7 24 31 B K H ><5S+ 0 0 81 -4,-1.0 3,-1.8 -5,-0.3 -2,-0.2 0.955 114.3 50.0 -73.9 -52.6 -25.0 0.5 3.9 25 32 B S H 3<5S+ 0 0 74 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.825 109.3 51.9 -54.5 -38.8 -26.3 -0.6 7.3 26 33 B R T 3<5S- 0 0 64 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.245 116.9-110.0 -87.7 14.0 -22.8 -0.7 8.9 27 34 B N T < 5S+ 0 0 82 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.876 86.0 119.1 61.5 40.5 -21.9 2.7 7.7 28 35 B L S - 0 0 50 -2,-0.3 4,-1.5 -28,-0.1 3,-0.3 -0.391 37.8-120.2 -72.5 148.7 -19.6 -15.6 17.2 44 51 B L H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.911 113.7 48.5 -52.2 -48.5 -17.5 -12.6 18.5 45 52 B A H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.827 107.5 55.3 -64.3 -32.9 -15.7 -14.8 21.0 46 53 B D H 4 S+ 0 0 88 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.784 111.6 44.0 -71.0 -28.3 -14.9 -17.4 18.4 47 54 B V H >< S+ 0 0 8 -4,-1.5 3,-1.5 -3,-0.5 4,-0.3 0.861 111.0 52.5 -82.4 -40.1 -13.2 -14.9 16.2 48 55 B Q H >< S+ 0 0 64 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.849 99.0 67.4 -63.1 -33.3 -11.4 -13.2 19.1 49 56 B A G >< S+ 0 0 40 -4,-1.7 3,-1.5 1,-0.3 -1,-0.3 0.698 81.6 76.9 -59.8 -20.0 -10.1 -16.6 20.0 50 57 B V G X S+ 0 0 0 -3,-1.5 3,-2.1 1,-0.3 -1,-0.3 0.766 74.6 78.5 -64.7 -22.1 -8.1 -16.6 16.8 51 58 B c G < S+ 0 0 8 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.1 0.495 98.3 42.4 -66.7 -2.1 -5.5 -14.3 18.4 52 59 B S G < S+ 0 0 98 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.078 102.6 80.6-128.4 21.4 -4.0 -17.3 20.2 53 60 B Q S < S- 0 0 44 -3,-2.1 2,-0.8 1,-0.2 15,-0.2 0.299 95.5 -8.7-100.2-130.6 -4.1 -19.8 17.4 54 61 B K E -D 67 0B 114 13,-1.6 13,-3.4 1,-0.0 2,-0.2 -0.563 65.5-145.1 -77.5 109.2 -1.6 -20.1 14.5 55 62 B N E +D 66 0B 73 -2,-0.8 2,-0.3 11,-0.3 11,-0.3 -0.496 31.0 160.1 -70.9 132.2 0.9 -17.2 14.4 56 63 B V E -D 65 0B 34 9,-3.0 9,-1.2 -2,-0.2 2,-0.2 -0.924 42.4 -89.2-145.9 166.6 1.9 -16.2 10.9 57 64 B A - 0 0 61 -2,-0.3 6,-0.3 7,-0.1 5,-0.2 -0.553 38.8-125.5 -81.8 147.1 3.4 -13.2 9.2 58 65 B d > - 0 0 9 4,-4.2 3,-2.7 -2,-0.2 -1,-0.1 -0.429 32.9 -98.8 -84.1 164.9 1.1 -10.4 7.9 59 66 B K T 3 S+ 0 0 183 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.822 126.9 55.4 -52.3 -34.3 1.4 -9.2 4.2 60 67 B N T 3 S- 0 0 122 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.278 123.3-107.3 -83.8 11.1 3.5 -6.3 5.4 61 68 B G S < S+ 0 0 47 -3,-2.7 -2,-0.1 1,-0.3 -1,-0.1 -0.005 76.6 137.1 88.8 -31.7 5.9 -8.8 7.0 62 69 B Q - 0 0 116 -5,-0.2 -4,-4.2 1,-0.1 -1,-0.3 -0.094 49.2-143.9 -47.1 145.9 4.7 -7.9 10.6 63 70 B T S S+ 0 0 87 -6,-0.3 -1,-0.1 1,-0.2 -6,-0.1 0.105 73.3 98.0-108.1 25.6 4.3 -11.0 12.7 64 71 B N + 0 0 30 -9,-0.1 39,-2.3 2,-0.0 2,-0.3 -0.055 62.0 113.2 -98.4 34.2 1.3 -10.2 14.9 65 72 B d E -DE 56 102B 0 -9,-1.2 -9,-3.0 37,-0.2 2,-0.4 -0.791 46.8-164.6-107.3 150.2 -1.0 -12.2 12.6 66 73 B Y E -DE 55 101B 37 35,-2.2 35,-1.9 -2,-0.3 2,-0.4 -0.998 9.3-146.6-139.1 137.7 -2.8 -15.4 13.3 67 74 B Q E -DE 54 100B 66 -13,-3.4 -13,-1.6 -2,-0.4 33,-0.2 -0.826 26.8-114.5-103.5 136.3 -4.5 -18.0 11.2 68 75 B S - 0 0 2 31,-2.0 4,-0.1 -2,-0.4 -18,-0.0 -0.426 15.8-135.3 -68.7 139.2 -7.6 -19.9 12.3 69 76 B Y S S+ 0 0 164 -2,-0.1 2,-0.2 29,-0.1 -1,-0.1 0.900 88.9 27.3 -60.0 -41.5 -7.1 -23.6 12.8 70 77 B S S S- 0 0 77 1,-0.1 29,-0.4 27,-0.1 2,-0.1 -0.661 93.8 -89.8-117.5 173.8 -10.4 -24.3 10.9 71 78 B T - 0 0 70 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.421 35.5-154.5 -81.7 157.4 -12.5 -22.6 8.2 72 79 B M E - C 0 97A 14 25,-2.4 25,-1.9 -2,-0.1 2,-0.4 -0.925 25.9 -99.3-131.7 156.1 -15.3 -20.1 9.0 73 80 B S E + C 0 96A 29 -2,-0.3 -32,-2.7 -32,-0.2 2,-0.3 -0.615 52.9 169.1 -76.4 124.3 -18.4 -19.1 7.1 74 81 B I E -BC 40 95A 1 21,-3.6 21,-2.1 -2,-0.4 2,-0.5 -0.938 32.5-146.1-138.6 161.7 -17.8 -15.8 5.3 75 82 B T E -BC 39 94A 7 -36,-2.0 -36,-2.1 -2,-0.3 2,-0.5 -0.976 16.6-152.4-128.0 115.8 -19.4 -13.5 2.7 76 83 B D E -BC 38 93A 45 17,-3.0 17,-1.8 -2,-0.5 2,-0.6 -0.764 7.6-158.5 -89.6 128.3 -17.0 -11.6 0.4 77 84 B a E +BC 37 92A 0 -40,-2.9 -40,-2.0 -2,-0.5 2,-0.4 -0.941 15.5 174.8-112.4 117.0 -18.4 -8.3 -1.0 78 85 B R E -BC 36 91A 141 13,-1.8 13,-2.9 -2,-0.6 -42,-0.2 -0.980 30.5-117.7-127.6 131.3 -16.8 -7.0 -4.2 79 86 B E E - C 0 90A 46 -44,-2.6 11,-0.3 -2,-0.4 9,-0.0 -0.356 28.5-131.2 -64.2 136.7 -17.8 -3.9 -6.2 80 87 B T > - 0 0 54 9,-2.4 3,-0.5 1,-0.1 9,-0.1 -0.123 26.0-105.2 -77.1-177.1 -19.0 -4.5 -9.8 81 88 B G T 3 S+ 0 0 87 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.702 120.0 56.3 -82.9 -18.6 -17.6 -2.6 -12.7 82 89 B S T 3 S+ 0 0 105 7,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.373 80.4 119.7 -91.5 1.9 -20.8 -0.6 -13.0 83 90 B S < + 0 0 19 -3,-0.5 2,-0.3 6,-0.2 5,-0.2 -0.549 31.7 157.6 -74.7 130.6 -20.6 0.6 -9.4 84 91 B K B > -G 87 0C 160 3,-1.1 3,-2.0 -2,-0.3 -52,-0.0 -0.945 41.7 -71.4-154.1 129.2 -20.3 4.4 -8.9 85 92 B Y T 3 S+ 0 0 123 1,-0.3 -52,-0.0 -2,-0.3 -54,-0.0 -0.311 115.2 27.1 -58.4 143.8 -21.1 6.6 -5.9 86 93 B P T 3 S+ 0 0 80 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 -0.982 128.0 48.3 -82.7 4.3 -23.8 7.3 -4.8 87 94 B N B < S-G 84 0C 130 -3,-2.0 -3,-1.1 -54,-0.0 -2,-0.1 -0.615 73.9-176.2-106.5 74.6 -25.1 4.0 -6.1 88 95 B b - 0 0 25 -2,-0.8 2,-0.4 -59,-0.2 -5,-0.1 -0.329 5.7-162.2 -67.1 151.0 -22.6 1.4 -5.1 89 96 B A - 0 0 27 -9,-0.1 -9,-2.4 2,-0.0 2,-0.3 -0.993 5.8-166.8-139.8 129.8 -23.2 -2.2 -6.4 90 97 B Y E -C 79 0A 8 -2,-0.4 2,-0.5 -11,-0.3 -11,-0.2 -0.809 19.2-135.6-119.5 157.4 -21.7 -5.4 -5.0 91 98 B K E -C 78 0A 128 -13,-2.9 -13,-1.8 -2,-0.3 2,-0.5 -0.940 26.0-141.7-109.2 129.3 -21.3 -9.0 -6.0 92 99 B T E +C 77 0A 55 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.831 22.0 175.6 -99.5 125.9 -22.0 -11.5 -3.1 93 100 B T E -C 76 0A 64 -17,-1.8 -17,-3.0 -2,-0.5 2,-0.2 -0.971 12.0-158.7-131.4 117.3 -19.9 -14.6 -2.7 94 101 B Q E +C 75 0A 98 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.649 27.1 138.8 -93.9 151.8 -20.3 -17.1 0.2 95 102 B A E -C 74 0A 35 -21,-2.1 -21,-3.6 -2,-0.2 2,-0.5 -0.980 46.1-112.6-174.6 173.9 -17.6 -19.5 1.3 96 103 B N E +C 73 0A 102 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.975 47.6 141.7-127.8 115.4 -15.8 -21.1 4.2 97 104 B K E -C 72 0A 59 -25,-1.9 -25,-2.4 -2,-0.5 2,-0.2 -0.943 52.9 -87.6-147.7 169.9 -12.1 -20.3 4.8 98 105 B H - 0 0 46 19,-1.6 19,-1.5 -2,-0.3 2,-0.3 -0.557 42.9-142.5 -76.1 142.7 -9.5 -19.7 7.4 99 106 B I E - F 0 116B 0 -29,-0.4 -31,-2.0 17,-0.2 2,-0.5 -0.827 5.9-153.0-109.4 149.7 -9.3 -16.1 8.4 100 107 B I E +EF 67 115B 14 15,-2.9 14,-2.3 -2,-0.3 15,-1.5 -0.992 20.0 176.9-122.6 122.9 -6.0 -14.2 9.2 101 108 B V E -EF 66 113B 0 -35,-1.9 -35,-2.2 -2,-0.5 2,-0.5 -0.920 27.1-130.8-126.6 152.5 -6.3 -11.3 11.7 102 109 B A E -EF 65 112B 8 10,-1.9 9,-2.5 -2,-0.3 10,-1.2 -0.876 28.7-153.2-100.1 134.3 -3.7 -9.0 13.2 103 110 B c E + F 0 110B 0 -39,-2.3 2,-0.3 -2,-0.5 5,-0.1 -0.843 21.8 157.1-114.0 149.0 -4.0 -8.7 17.0 104 111 B E E > + F 0 109B 105 5,-2.2 5,-1.8 -2,-0.3 2,-0.1 -0.972 35.4 33.9-157.5 163.0 -3.1 -5.9 19.3 105 112 B G T 5S- 0 0 60 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.279 86.1 -45.5 87.4-171.6 -4.0 -4.5 22.7 106 113 B N T 5S+ 0 0 160 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.903 132.0 39.5-148.3 111.4 -5.0 -6.1 26.0 107 114 B P T 5S- 0 0 96 0, 0.0 2,-1.2 0, 0.0 -1,-0.2 0.489 110.9-120.7 -61.0 154.6 -7.0 -8.1 25.8 108 115 B Y T 5 + 0 0 98 -2,-0.2 -3,-0.2 -5,-0.1 -57,-0.2 -0.600 53.1 163.2 -70.7 99.0 -5.2 -9.2 22.7 109 116 B V E < -F 104 0B 23 -5,-1.8 -5,-2.2 -2,-1.2 2,-0.2 -0.826 44.8 -87.4-122.0 160.6 -8.1 -8.7 20.2 110 117 B P E +F 103 0B 9 0, 0.0 -7,-0.2 0, 0.0 -101,-0.1 -0.456 42.3 165.9 -67.4 133.5 -8.3 -8.5 16.4 111 118 B V E + 0 0 18 -9,-2.5 2,-0.3 1,-0.3 -8,-0.2 0.509 64.4 33.1-121.3 -17.3 -7.9 -5.0 15.1 112 119 B H E -F 102 0B 116 -10,-1.2 -10,-1.9 -105,-0.0 2,-0.7 -0.996 67.2-133.9-143.8 146.9 -7.4 -5.7 11.4 113 120 B F E +F 101 0B 39 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.902 25.4 175.5-100.7 116.1 -8.6 -8.2 8.8 114 121 B D E - 0 0 42 -14,-2.3 2,-0.3 -2,-0.7 -13,-0.2 0.835 51.0 -62.8 -91.0 -37.3 -5.6 -9.5 6.8 115 122 B A E -F 100 0B 40 -15,-1.5 -15,-2.9 2,-0.0 2,-0.3 -0.974 34.9-112.6 171.3-179.7 -7.1 -12.2 4.6 116 123 B S E F 99 0B 26 -2,-0.3 -17,-0.2 -17,-0.3 -45,-0.0 -0.965 360.0 360.0-144.1 122.2 -8.9 -15.5 4.3 117 124 B V 0 0 106 -19,-1.5 -19,-1.6 -2,-0.3 -2,-0.0 -0.813 360.0 360.0 -98.2 360.0 -7.3 -18.6 2.8