==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-SEP-11 3U19 . COMPND 2 MOLECULE: ARTIFICIAL PROTEIN OR51; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR A.KUZIN,M.SU,J.SEETHARAMAN,S.SAHDEV,R.XIAO,E.KOHAN,F.RICHTER . 195 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 19 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 0 2 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 1 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 3 A G 0 0 114 0, 0.0 90,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 166.9 2.8 -9.8 -29.8 2 4 A R - 0 0 183 1,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.340 360.0-123.0 -62.4 133.2 5.6 -11.4 -28.0 3 5 A A - 0 0 26 1,-0.1 2,-0.5 -2,-0.1 89,-0.2 -0.489 19.2-115.8 -76.8 145.3 4.7 -14.7 -26.3 4 6 A L E -a 92 0A 9 87,-2.8 89,-2.9 -2,-0.2 2,-0.6 -0.715 32.1-148.0 -76.6 124.4 5.2 -15.2 -22.5 5 7 A R E -a 93 0A 70 -2,-0.5 134,-2.0 87,-0.2 135,-1.6 -0.878 16.4-174.2-103.5 121.0 7.8 -17.9 -22.2 6 8 A V E -ab 94 140A 0 87,-2.5 89,-2.6 -2,-0.6 2,-0.5 -0.949 11.2-154.8-117.7 125.8 7.4 -20.2 -19.1 7 9 A L E -ab 95 141A 0 133,-3.3 135,-2.9 -2,-0.5 2,-0.4 -0.855 12.0-172.5 -95.6 132.2 9.9 -22.9 -18.1 8 10 A V E -ab 96 142A 0 87,-2.6 89,-1.4 -2,-0.5 2,-0.4 -0.983 15.1-143.7-126.2 121.7 8.6 -25.7 -16.0 9 11 A D - 0 0 2 133,-2.6 5,-0.2 -2,-0.4 89,-0.2 -0.721 7.9-145.7 -83.4 131.2 10.8 -28.3 -14.5 10 12 A X S >>>S+ 0 0 1 -2,-0.4 4,-2.9 3,-0.2 5,-2.6 0.865 71.2 93.3 -55.4 -44.8 9.3 -31.9 -14.5 11 13 A D B 345S-f 15 0B 9 1,-0.3 133,-0.5 2,-0.2 5,-0.1 -0.382 109.3 -12.7 -69.4 117.4 10.9 -33.0 -11.2 12 14 A G T 345S+ 0 0 7 3,-2.4 -1,-0.3 -2,-0.3 4,-0.1 0.545 134.9 65.7 74.4 4.0 8.7 -32.5 -8.2 13 15 A V T <45S+ 0 0 0 -3,-1.5 -2,-0.2 2,-0.3 -3,-0.2 0.651 121.7 3.6-121.7 -44.6 6.4 -30.3 -10.3 14 16 A L T <5S+ 0 0 0 -4,-2.9 62,-2.5 1,-0.3 2,-0.4 0.699 131.4 46.8-108.8 -37.0 4.9 -32.6 -12.9 15 17 A A B + 0 0 40 58,-3.5 4,-1.9 -2,-0.4 58,-0.4 -0.509 41.9 160.8 -82.7 79.2 6.3 -37.2 -8.2 17 19 A V H > S+ 0 0 10 -2,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.899 72.0 50.9 -63.4 -45.0 10.0 -37.9 -7.8 18 20 A E H > S+ 0 0 16 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 111.6 46.3 -65.5 -45.6 9.9 -37.9 -4.0 19 21 A G H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.912 113.9 49.8 -61.4 -43.3 6.9 -40.3 -3.7 20 22 A G H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.926 110.7 48.6 -62.1 -46.9 8.5 -42.6 -6.2 21 23 A L H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.952 115.1 44.9 -57.6 -50.0 11.9 -42.6 -4.5 22 24 A L H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.930 114.3 48.6 -62.3 -45.2 10.3 -43.3 -1.1 23 25 A R H X S+ 0 0 119 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.916 117.5 39.4 -62.6 -46.9 8.0 -46.0 -2.4 24 26 A K H X S+ 0 0 63 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.845 112.5 56.0 -76.6 -33.7 10.7 -47.9 -4.3 25 27 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.955 109.9 46.8 -58.1 -48.1 13.3 -47.5 -1.6 26 28 A R H < S+ 0 0 133 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.875 112.9 48.3 -65.7 -37.5 11.0 -49.1 0.9 27 29 A A H < S+ 0 0 82 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.888 118.4 39.4 -71.3 -37.7 10.1 -52.0 -1.4 28 30 A R H < S+ 0 0 136 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.824 128.5 30.5 -81.7 -32.2 13.7 -52.8 -2.3 29 31 A F >< + 0 0 29 -4,-2.7 3,-1.8 -5,-0.3 -1,-0.2 -0.531 69.5 159.9-124.9 63.9 15.3 -52.2 1.1 30 32 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.702 72.9 54.5 -62.8 -21.3 12.4 -53.1 3.5 31 33 A D T 3 S+ 0 0 152 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.270 94.5 84.9 -99.1 10.6 14.8 -53.7 6.5 32 34 A Q S < S- 0 0 60 -3,-1.8 -3,-0.1 -6,-0.1 2,-0.1 -0.794 82.7-108.1-106.1 154.1 16.4 -50.2 6.3 33 35 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 20,-0.1 -0.363 39.7-166.3 -70.7 161.0 15.2 -46.9 7.9 34 36 A F - 0 0 73 -2,-0.1 2,-0.7 18,-0.1 -12,-0.0 -0.852 24.5-102.1-142.6 176.1 13.8 -44.3 5.4 35 37 A I - 0 0 10 -2,-0.3 5,-0.1 3,-0.0 14,-0.1 -0.910 29.6-140.9-110.5 109.6 12.9 -40.6 5.3 36 38 A A >> - 0 0 36 -2,-0.7 3,-1.8 1,-0.1 4,-0.6 -0.401 28.0-114.0 -61.0 146.7 9.2 -39.9 5.5 37 39 A L G >4 S+ 0 0 56 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.875 116.4 60.9 -54.2 -38.7 8.3 -37.0 3.1 38 40 A E G 34 S+ 0 0 105 1,-0.3 -1,-0.3 128,-0.0 -2,-0.0 0.783 105.6 49.1 -60.7 -23.9 7.4 -34.8 6.0 39 41 A D G <4 S+ 0 0 94 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.508 84.3 115.4 -94.3 -4.1 11.0 -35.2 7.2 40 42 A R << + 0 0 1 -3,-1.6 2,-0.3 -4,-0.6 3,-0.1 -0.434 39.0 176.1 -66.4 136.1 12.6 -34.4 3.9 41 43 A R + 0 0 98 1,-0.3 126,-0.2 -2,-0.1 125,-0.1 -0.982 47.0 16.0-141.8 132.9 14.7 -31.2 3.9 42 44 A G S S- 0 0 41 124,-2.1 -1,-0.3 -2,-0.3 6,-0.1 0.397 83.6 -96.2 80.1 142.7 16.8 -29.9 1.0 43 45 A Y S S+ 0 0 81 1,-0.1 2,-1.6 -3,-0.1 -1,-0.1 0.773 103.6 88.4 -66.0 -24.8 16.6 -31.0 -2.7 44 46 A K > + 0 0 85 1,-0.2 4,-1.3 122,-0.1 -1,-0.1 -0.558 51.4 172.3 -78.4 87.5 19.5 -33.5 -2.3 45 47 A A H > S+ 0 0 0 -2,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.897 74.1 54.2 -62.6 -43.2 17.6 -36.6 -1.1 46 48 A X H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.936 105.6 53.7 -63.1 -45.4 20.5 -38.9 -1.3 47 49 A E H > S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.864 108.1 50.2 -55.6 -38.1 22.6 -36.7 0.9 48 50 A Q H X S+ 0 0 29 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.916 108.9 51.1 -69.4 -38.5 19.9 -36.7 3.6 49 51 A Y H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 7,-0.3 0.921 106.9 55.5 -59.4 -43.5 19.7 -40.5 3.4 50 52 A G H < S+ 0 0 27 -4,-2.7 -1,-0.2 6,-0.3 -2,-0.2 0.849 107.1 49.2 -55.2 -38.3 23.5 -40.5 3.9 51 53 A R H < S+ 0 0 163 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.830 107.8 55.3 -71.9 -30.5 23.0 -38.5 7.1 52 54 A L H < S- 0 0 78 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.953 132.0 -12.6 -64.7 -49.4 20.4 -40.9 8.3 53 55 A R S >< S- 0 0 109 -4,-2.3 3,-2.2 -5,-0.1 4,-0.4 -0.944 79.0-100.7-156.9 130.7 22.7 -43.9 8.0 54 56 A P T 3 S+ 0 0 124 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.301 110.0 23.6 -53.4 126.5 26.1 -44.4 6.3 55 57 A G T 3> S+ 0 0 34 -5,-0.0 4,-1.4 -2,-0.0 3,-0.2 0.114 93.1 99.6 103.7 -22.1 25.6 -46.1 2.9 56 58 A L H <> S+ 0 0 3 -3,-2.2 4,-2.7 -7,-0.3 -6,-0.3 0.748 73.5 63.4 -73.0 -23.8 21.9 -45.1 2.4 57 59 A S H > S+ 0 0 14 -4,-0.4 4,-2.3 -8,-0.2 -1,-0.2 0.939 105.6 47.2 -60.5 -43.6 22.9 -42.3 0.0 58 60 A E H > S+ 0 0 117 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.859 113.0 47.6 -65.5 -40.4 24.3 -44.9 -2.3 59 61 A K H X S+ 0 0 79 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.920 111.7 49.5 -68.7 -44.7 21.2 -47.1 -2.0 60 62 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.902 112.3 49.1 -59.0 -42.5 18.8 -44.1 -2.6 61 63 A R H X S+ 0 0 87 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.882 106.1 56.1 -64.8 -36.9 20.8 -43.1 -5.6 62 64 A S H X S+ 0 0 29 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.863 104.6 54.4 -67.2 -32.0 20.7 -46.7 -6.9 63 65 A I H >< S+ 0 0 6 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.958 110.8 44.0 -59.5 -50.9 16.9 -46.5 -6.7 64 66 A A H 3< S+ 0 0 1 -4,-1.8 6,-0.2 1,-0.3 -2,-0.2 0.775 112.7 52.9 -70.2 -23.6 16.9 -43.3 -8.9 65 67 A E H 3< S+ 0 0 94 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.581 87.2 109.2 -84.8 -12.5 19.4 -44.8 -11.3 66 68 A S S X< S- 0 0 49 -3,-1.0 3,-1.8 -4,-0.7 4,-0.4 -0.327 82.8 -93.3 -68.4 147.2 17.4 -47.9 -11.9 67 69 A K T 3 S+ 0 0 132 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.278 110.0 16.9 -54.6 140.8 15.6 -48.6 -15.2 68 70 A N T 3> S+ 0 0 56 -3,-0.1 4,-1.7 38,-0.1 -1,-0.2 0.454 87.5 116.3 73.2 3.2 12.0 -47.4 -15.1 69 71 A F T <4 S+ 0 0 1 -3,-1.8 4,-0.3 2,-0.2 -2,-0.1 0.980 86.4 32.9 -63.3 -54.2 12.4 -45.1 -12.1 70 72 A F T >4 S+ 0 0 2 -4,-0.4 3,-1.1 -6,-0.2 -1,-0.2 0.898 117.5 54.5 -68.5 -40.9 11.6 -42.0 -14.1 71 73 A F T 34 S+ 0 0 62 1,-0.2 -1,-0.2 35,-0.1 -2,-0.2 0.845 109.3 47.0 -64.9 -34.3 9.2 -43.5 -16.5 72 74 A E T 3< S+ 0 0 99 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.413 81.2 126.4 -91.8 2.1 6.9 -45.0 -13.7 73 75 A L < - 0 0 2 -3,-1.1 -56,-0.1 -4,-0.3 -3,-0.0 -0.317 62.3-121.4 -55.7 139.3 6.8 -41.7 -11.7 74 76 A E - 0 0 103 -58,-0.4 -58,-3.5 1,-0.1 -54,-0.1 -0.628 25.6-109.4 -83.7 143.0 3.2 -40.6 -11.0 75 77 A P B -G 15 0B 41 0, 0.0 -60,-0.3 0, 0.0 3,-0.1 -0.462 37.5-110.0 -66.9 143.2 2.0 -37.2 -12.2 76 78 A L >> - 0 0 33 -62,-2.5 3,-1.9 1,-0.1 4,-0.5 -0.387 50.7 -75.2 -70.0 154.3 1.5 -34.7 -9.4 77 79 A P T 34 S- 0 0 111 0, 0.0 105,-0.5 0, 0.0 -1,-0.1 -0.277 114.2 -5.2 -54.4 128.0 -2.1 -33.8 -8.7 78 80 A G T 3> S+ 0 0 42 -3,-0.1 4,-1.9 1,-0.1 5,-0.2 0.437 101.0 117.5 69.3 0.7 -3.5 -31.4 -11.3 79 81 A A H <> S+ 0 0 0 -3,-1.9 4,-2.4 2,-0.2 5,-0.3 0.943 73.3 43.0 -65.5 -54.3 -0.1 -31.1 -13.0 80 82 A V H X S+ 0 0 30 -4,-0.5 4,-2.2 1,-0.2 5,-0.2 0.920 117.0 47.8 -60.9 -44.9 -1.0 -32.5 -16.4 81 83 A E H > S+ 0 0 149 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 113.0 47.9 -64.4 -40.4 -4.3 -30.6 -16.6 82 84 A A H X S+ 0 0 5 -4,-1.9 4,-3.6 2,-0.2 -2,-0.2 0.945 113.5 45.7 -66.7 -46.5 -2.7 -27.3 -15.6 83 85 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.895 111.5 52.6 -69.3 -36.4 0.2 -27.5 -18.0 84 86 A K H X S+ 0 0 107 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.936 114.1 43.6 -60.6 -45.5 -2.0 -28.5 -20.9 85 87 A E H >X S+ 0 0 71 -4,-2.0 3,-1.1 -5,-0.2 4,-0.9 0.963 112.5 52.8 -63.0 -48.6 -4.2 -25.6 -20.2 86 88 A X H >< S+ 0 0 0 -4,-3.6 3,-1.2 1,-0.3 -2,-0.2 0.919 108.8 49.0 -51.0 -49.2 -1.2 -23.3 -19.7 87 89 A A H 3< S+ 0 0 37 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.714 108.3 56.4 -66.2 -19.1 0.2 -24.3 -23.1 88 90 A S H << S+ 0 0 88 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.598 83.5 104.2 -89.9 -13.0 -3.2 -23.7 -24.7 89 91 A L S X< S- 0 0 48 -3,-1.2 3,-0.8 -4,-0.9 2,-0.1 -0.348 81.1-104.1 -66.3 149.1 -3.4 -20.1 -23.5 90 92 A Q T 3 S+ 0 0 167 1,-0.2 -86,-0.1 -87,-0.0 -1,-0.1 -0.380 102.1 18.3 -72.1 155.0 -2.7 -17.4 -26.1 91 93 A N T 3 S+ 0 0 94 1,-0.1 -87,-2.8 -88,-0.1 2,-0.4 0.846 102.0 115.6 50.8 39.1 0.6 -15.6 -26.1 92 94 A T E < -a 4 0A 8 -3,-0.8 2,-0.5 -89,-0.2 -87,-0.2 -0.958 42.3-174.8-141.1 120.6 2.1 -18.4 -23.9 93 95 A D E -a 5 0A 72 -89,-2.9 -87,-2.5 -2,-0.4 2,-0.5 -0.975 12.8-159.2-112.4 122.6 4.9 -20.8 -24.9 94 96 A V E -a 6 0A 5 -2,-0.5 2,-0.4 -89,-0.2 -87,-0.2 -0.882 8.8-175.6-104.5 128.3 5.7 -23.5 -22.3 95 97 A F E -a 7 0A 51 -89,-2.6 -87,-2.6 -2,-0.5 2,-0.7 -0.965 23.4-135.8-116.3 137.5 9.0 -25.3 -22.3 96 98 A I E -ac 8 127A 0 30,-1.8 32,-3.2 -2,-0.4 2,-0.6 -0.850 26.8-173.7 -89.2 117.4 9.8 -28.2 -20.0 97 99 A C E + c 0 128A 0 -89,-1.4 2,-0.3 -2,-0.7 32,-0.2 -0.951 18.8 147.8-122.8 111.7 13.3 -27.5 -18.7 98 100 A T E - 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