==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUN-12 4AZ1 . COMPND 2 MOLECULE: TYROSINE SPECIFIC PROTEIN PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR G.T.LOUNTOS,J.E.TROPEA,D.S.WAUGH . 586 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 0 1 0 0 2 0 3 2 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 . 2 2 3 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 2 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 D 0 0 195 0, 0.0 2,-5.1 0, 0.0 243,-0.0 0.000 360.0 360.0 360.0-148.4 11.5 -43.6 -12.9 2 4 A S + 0 0 101 243,-0.1 2,-0.3 241,-0.0 241,-0.0 0.030 360.0 96.6 57.8 -40.9 9.4 -41.4 -10.6 3 5 A N - 0 0 54 -2,-5.1 2,-0.5 242,-0.1 244,-0.2 -0.628 59.1-163.8 -74.8 136.5 10.4 -43.4 -7.6 4 6 A C + 0 0 73 242,-2.2 -2,-0.0 -2,-0.3 -1,-0.0 -0.973 22.6 155.7-121.7 112.7 13.4 -42.0 -5.7 5 7 A F > + 0 0 20 -2,-0.5 3,-1.6 1,-0.1 4,-0.1 -0.492 6.1 167.4-136.4 70.5 15.0 -44.5 -3.3 6 8 A P G >> + 0 0 42 0, 0.0 3,-2.3 0, 0.0 4,-0.5 0.549 58.9 92.4 -65.4 -6.9 18.6 -43.5 -2.6 7 9 A F G >4 S+ 0 0 0 1,-0.3 3,-0.8 2,-0.2 11,-0.1 0.795 80.4 59.9 -52.9 -31.8 18.8 -45.9 0.3 8 10 A T G <4 S+ 0 0 54 -3,-1.6 -1,-0.3 1,-0.2 4,-0.0 0.570 95.9 62.2 -77.6 -7.3 20.2 -48.5 -2.2 9 11 A K G <4 S+ 0 0 180 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.654 86.6 92.5 -88.6 -17.9 23.1 -46.2 -3.0 10 12 A L S << S- 0 0 65 -3,-0.8 -3,-0.0 -4,-0.5 0, 0.0 -0.416 84.3-104.6 -77.1 150.8 24.5 -46.3 0.6 11 13 A S > - 0 0 75 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.241 38.0-102.6 -63.0 161.9 27.1 -48.8 1.7 12 14 A V H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 124.1 48.8 -53.2 -46.1 25.9 -51.7 3.9 13 15 A Q H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 111.6 47.9 -61.8 -46.2 27.3 -49.9 7.0 14 16 A A H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 111.1 52.1 -63.6 -38.2 25.6 -46.6 6.2 15 17 A Q H X S+ 0 0 10 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.944 111.3 46.3 -61.0 -48.1 22.4 -48.4 5.5 16 18 A Y H X S+ 0 0 65 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.912 114.9 47.3 -61.4 -42.7 22.5 -50.1 8.9 17 19 A E H X S+ 0 0 103 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.825 109.7 52.2 -69.1 -37.0 23.4 -46.9 10.6 18 20 A R H X S+ 0 0 20 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.915 109.8 49.5 -65.7 -43.2 20.7 -44.9 8.9 19 21 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.963 112.9 46.4 -60.5 -50.7 18.0 -47.4 9.9 20 22 A Q H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.931 113.2 50.3 -56.6 -45.5 19.2 -47.3 13.6 21 23 A R H X S+ 0 0 151 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.909 112.3 46.2 -59.9 -45.6 19.3 -43.5 13.5 22 24 A E H X S+ 0 0 22 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.905 111.6 50.8 -65.6 -42.9 15.8 -43.2 12.1 23 25 A F H X S+ 0 0 12 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.918 110.1 49.8 -63.3 -41.0 14.3 -45.7 14.5 24 26 A S H X S+ 0 0 58 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.901 108.7 53.3 -62.5 -40.0 15.9 -43.9 17.5 25 27 A L H X S+ 0 0 81 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.889 107.1 52.4 -62.2 -38.1 14.4 -40.7 16.2 26 28 A L H >< S+ 0 0 3 -4,-2.1 3,-0.9 2,-0.2 4,-0.2 0.932 111.3 45.0 -62.3 -46.0 11.0 -42.3 16.1 27 29 A L H >< S+ 0 0 69 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.913 105.7 63.4 -62.2 -40.9 11.3 -43.4 19.7 28 30 A R H 3< S+ 0 0 187 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.755 98.7 56.0 -52.9 -26.2 12.6 -39.9 20.5 29 31 A Q T << S+ 0 0 100 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.504 78.2 123.4 -88.2 -5.9 9.2 -38.6 19.4 30 32 A E < + 0 0 81 -3,-2.4 -3,-0.0 -4,-0.2 233,-0.0 -0.373 21.8 154.2 -63.4 127.7 7.2 -40.7 21.8 31 33 A D > + 0 0 78 -2,-0.1 3,-0.8 1,-0.0 4,-0.1 -0.480 3.7 161.1-154.6 79.6 4.9 -38.7 24.2 32 34 A P G > + 0 0 56 0, 0.0 3,-0.8 0, 0.0 -2,-0.0 0.501 62.7 81.8 -82.0 -8.2 1.9 -40.8 25.4 33 35 A R G 3 S+ 0 0 235 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.828 94.1 47.9 -66.1 -31.9 1.2 -38.5 28.4 34 36 A S G < S+ 0 0 91 -3,-0.8 2,-0.4 2,-0.1 -1,-0.2 0.487 98.3 89.5 -85.3 -8.1 -0.6 -36.1 26.1 35 37 A I S < S- 0 0 53 -3,-0.8 2,-0.4 -4,-0.1 0, 0.0 -0.772 74.8-125.4-101.3 136.8 -2.7 -38.9 24.4 36 38 A S + 0 0 68 -2,-0.4 20,-2.5 1,-0.1 21,-0.4 -0.634 32.4 164.3 -77.6 130.3 -6.1 -40.2 25.6 37 39 A F > + 0 0 22 -2,-0.4 4,-2.8 18,-0.2 5,-0.2 -0.074 27.2 139.9-127.4 30.9 -6.4 -43.9 26.2 38 40 A A H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.854 70.9 36.7 -45.7 -60.7 -9.6 -43.7 28.2 39 41 A T H > S+ 0 0 29 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.898 118.0 50.7 -65.3 -41.3 -11.6 -46.7 26.9 40 42 A S H >4 S+ 0 0 0 14,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.876 108.8 54.1 -64.2 -36.6 -8.5 -48.9 26.6 41 43 A L H >< S+ 0 0 83 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.822 105.3 50.0 -70.6 -35.1 -7.5 -48.0 30.2 42 44 A K H 3< S+ 0 0 133 -4,-1.6 3,-0.2 1,-0.2 -1,-0.2 0.569 106.8 59.9 -80.4 -5.2 -10.8 -49.0 31.8 43 45 A N T X< + 0 0 18 -4,-0.6 3,-1.9 -3,-0.6 4,-0.3 -0.156 59.5 132.0-110.6 40.9 -10.7 -52.3 30.0 44 46 A R G X + 0 0 121 -3,-0.7 3,-1.1 1,-0.3 -1,-0.2 0.757 62.8 71.4 -65.6 -22.7 -7.4 -53.6 31.4 45 47 A H G 3 S+ 0 0 50 1,-0.3 -1,-0.3 -3,-0.2 49,-0.2 0.764 106.3 39.7 -59.1 -25.5 -9.1 -57.0 32.2 46 48 A K G < S+ 0 0 49 -3,-1.9 2,-0.5 -6,-0.2 46,-0.5 0.321 92.5 103.4-110.2 5.0 -9.0 -57.5 28.4 47 49 A N < - 0 0 2 -3,-1.1 3,-0.1 -4,-0.3 6,-0.1 -0.788 57.7-156.1 -87.7 127.3 -5.6 -56.0 27.7 48 50 A R S S+ 0 0 28 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.886 88.2 32.3 -65.7 -39.2 -2.9 -58.6 27.1 49 51 A Y S > S- 0 0 71 3,-0.3 3,-1.6 1,-0.1 -1,-0.2 -0.980 77.3-141.3-124.2 126.5 -0.3 -56.1 28.2 50 52 A L T 3 S+ 0 0 65 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.826 100.3 38.5 -53.3 -38.9 -1.0 -53.5 30.8 51 53 A D T 3 S+ 0 0 139 1,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.187 92.8 89.0-104.7 15.9 1.0 -50.7 29.1 52 54 A I < + 0 0 28 -3,-1.6 -3,-0.3 2,-0.0 2,-0.3 -0.883 62.3 169.8-110.1 100.2 0.1 -51.4 25.5 53 55 A L - 0 0 27 -2,-0.7 2,-0.4 -6,-0.1 210,-0.2 -0.785 34.4-118.4-117.0 151.8 -3.0 -49.4 25.1 54 56 A A - 0 0 0 -2,-0.3 -14,-0.4 -17,-0.2 -13,-0.1 -0.764 35.5-110.1 -90.1 129.7 -5.2 -48.3 22.1 55 57 A N - 0 0 8 -2,-0.4 3,-0.5 206,-0.2 4,-0.2 -0.300 19.1-138.4 -55.8 136.5 -5.5 -44.6 21.3 56 58 A E S > S+ 0 0 58 -20,-2.5 3,-1.4 1,-0.2 -1,-0.1 0.907 97.1 60.9 -62.6 -44.8 -9.0 -43.3 21.9 57 59 A A T 3 S+ 0 0 87 -21,-0.4 -1,-0.2 1,-0.3 -20,-0.1 0.767 119.7 25.0 -58.3 -31.1 -9.2 -41.2 18.8 58 60 A T T 3 S+ 0 0 29 -3,-0.5 18,-2.5 203,-0.2 -1,-0.3 0.128 85.1 148.7-121.3 17.6 -8.8 -44.1 16.4 59 61 A L B <> -A 75 0A 0 -3,-1.4 4,-1.6 16,-0.2 16,-0.3 -0.303 49.2-102.8 -57.6 128.6 -10.1 -46.9 18.7 60 62 A Y T 4 S+ 0 0 5 14,-2.4 12,-0.5 1,-0.3 14,-0.3 -0.889 91.9 2.7-109.2 139.1 -11.8 -49.6 16.6 61 63 A P T >> S+ 0 0 1 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.964 118.6 73.5 -91.6 12.0 -14.6 -50.3 16.1 62 64 A Q T 34 S+ 0 0 42 1,-0.3 3,-0.4 2,-0.2 -2,-0.2 0.690 91.6 58.8 -61.7 -22.1 -15.8 -47.3 18.2 63 65 A V T 3< S+ 0 0 65 -4,-1.6 -1,-0.3 1,-0.2 -3,-0.1 0.542 99.4 57.6 -87.0 -7.3 -14.8 -44.7 15.5 64 66 A T T <4 0 0 67 -3,-2.0 -1,-0.2 0, 0.0 -2,-0.2 0.570 360.0 360.0 -90.7 -14.3 -17.1 -46.2 12.9 65 67 A D < 0 0 109 -4,-0.5 3,-0.1 -3,-0.4 -3,-0.0 -0.444 360.0 360.0 -62.7 360.0 -20.1 -45.7 15.2 66 ! 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 67 72 A S 0 0 152 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.2 -23.0 -48.1 21.7 68 73 A T - 0 0 25 1,-0.1 -6,-0.1 2,-0.1 -3,-0.0 -0.903 360.0-163.7 -92.5 113.9 -20.3 -50.6 20.8 69 74 A P + 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.194 63.5 73.2 -83.8 12.9 -20.8 -53.4 23.4 70 75 A Y - 0 0 34 28,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.843 62.9-151.5-123.0 158.9 -17.4 -55.0 22.6 71 76 A Y + 0 0 6 -2,-0.3 2,-0.4 24,-0.1 27,-0.1 -0.980 15.6 170.0-133.6 125.2 -13.7 -54.1 23.3 72 77 A I - 0 0 9 -12,-0.5 2,-1.9 -2,-0.4 -12,-0.2 -0.983 41.1-123.0-118.4 140.4 -10.7 -55.0 21.2 73 78 A N S S+ 0 0 1 -2,-0.4 16,-1.9 -27,-0.3 2,-0.3 -0.656 74.4 116.4 -74.9 84.8 -7.4 -53.3 22.0 74 79 A G E - B 0 88A 0 -2,-1.9 -14,-2.4 -14,-0.3 2,-0.3 -0.994 50.9-148.4-156.7 158.6 -7.2 -52.1 18.5 75 80 A N E -AB 59 87A 0 12,-2.4 12,-2.3 -2,-0.3 2,-0.6 -0.971 25.9-114.3-135.0 148.8 -7.0 -49.1 16.2 76 81 A L E - B 0 86A 25 -18,-2.5 2,-0.6 -2,-0.3 10,-0.2 -0.682 30.5-155.1 -77.0 119.1 -8.1 -48.2 12.6 77 82 A I E + B 0 85A 1 8,-3.7 8,-2.2 -2,-0.6 2,-0.5 -0.885 16.7 175.6-101.5 119.6 -5.1 -47.5 10.5 78 83 A D + 0 0 55 -2,-0.6 6,-0.1 6,-0.2 -2,-0.0 -0.975 14.9 164.4-124.9 117.9 -5.7 -45.3 7.5 79 84 A L - 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