==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-03 1Q1M . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.LIU,Z.XIN,Z.PEI,P.J.HAJDUK,C.ABAD-ZAPATERO,C.W.HUTCHINS, . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 2 0.7 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 . 28 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 1 0 0 0 1 1 1 2 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 2 A E > 0 0 119 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -41.7 23.8 7.4 38.1 2 3 A M H > + 0 0 12 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.825 360.0 54.4 -71.4 -27.6 25.6 9.8 35.8 3 4 A E H > S+ 0 0 113 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.943 107.9 48.1 -67.7 -47.3 27.6 6.7 34.8 4 5 A K H > S+ 0 0 119 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.986 114.3 45.7 -53.3 -61.7 24.5 4.8 34.0 5 6 A E H X S+ 0 0 32 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.859 111.2 55.6 -50.2 -38.7 23.2 7.7 32.0 6 7 A F H X S+ 0 0 12 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.988 112.2 38.9 -58.8 -62.0 26.6 8.0 30.4 7 8 A E H X S+ 0 0 111 -4,-2.8 4,-4.0 1,-0.2 5,-0.2 0.893 115.6 56.5 -54.0 -41.5 26.7 4.4 29.1 8 9 A Q H X S+ 0 0 104 -4,-3.4 4,-1.3 -5,-0.3 -1,-0.2 0.959 111.9 40.1 -53.9 -54.8 23.0 4.8 28.3 9 10 A I H <>S+ 0 0 4 -4,-3.3 5,-2.2 2,-0.2 6,-0.3 0.809 119.7 45.8 -66.4 -33.2 23.7 7.8 26.1 10 11 A D H ><5S+ 0 0 55 -4,-2.8 3,-2.4 -5,-0.2 -2,-0.2 0.937 106.2 59.5 -74.1 -48.3 26.9 6.2 24.6 11 12 A K H 3<5S+ 0 0 181 -4,-4.0 -2,-0.2 1,-0.3 -1,-0.2 0.802 118.2 31.0 -49.1 -36.5 25.2 2.8 24.1 12 13 A S T 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.000 104.8-124.9-115.5 29.0 22.6 4.5 21.8 13 14 A G T < 5 + 0 0 65 -3,-2.4 3,-0.2 1,-0.2 -3,-0.2 0.776 61.1 141.5 29.9 54.8 24.8 7.3 20.4 14 15 A S >< + 0 0 32 -5,-2.2 4,-2.6 1,-0.1 5,-0.2 -0.031 23.5 110.5-113.7 34.0 22.5 10.1 21.5 15 16 A W H > S+ 0 0 22 -6,-0.3 4,-3.4 2,-0.2 5,-0.3 0.924 77.6 55.8 -70.6 -43.9 24.8 12.9 22.6 16 17 A A H > S+ 0 0 73 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.843 113.3 43.7 -56.5 -32.2 23.9 15.1 19.7 17 18 A A H > S+ 0 0 49 2,-0.2 4,-2.3 3,-0.1 -2,-0.2 0.949 112.8 48.9 -76.7 -52.6 20.3 14.8 20.7 18 19 A I H X S+ 0 0 32 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.886 114.7 49.2 -53.0 -40.9 20.9 15.3 24.5 19 20 A Y H X S+ 0 0 14 -4,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.913 109.0 48.5 -68.5 -45.6 23.0 18.3 23.6 20 21 A Q H X S+ 0 0 96 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.842 107.8 58.9 -65.0 -28.8 20.5 19.9 21.3 21 22 A D H X S+ 0 0 78 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.911 103.6 49.5 -64.1 -44.1 17.9 19.3 24.0 22 23 A I H X S+ 0 0 6 -4,-1.5 4,-1.0 1,-0.2 3,-0.2 0.903 110.0 52.7 -61.8 -38.7 19.9 21.4 26.5 23 24 A R H < S+ 0 0 130 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.888 105.6 54.4 -64.5 -37.4 20.1 24.1 23.8 24 25 A H H < S+ 0 0 163 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.824 115.8 37.7 -65.8 -31.8 16.3 24.0 23.4 25 26 A E H < S+ 0 0 128 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.455 86.2 123.5-100.0 -1.5 15.8 24.6 27.1 26 27 A A < - 0 0 24 -4,-1.0 228,-0.1 -3,-0.4 224,-0.1 -0.307 69.5-104.8 -61.0 142.0 18.6 27.1 27.6 27 28 A S - 0 0 37 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.169 29.5-152.5 -62.4 161.7 17.5 30.4 29.1 28 29 A D + 0 0 143 -3,-0.1 226,-0.1 229,-0.1 -1,-0.0 -0.927 19.4 169.7-142.0 113.7 17.3 33.4 26.8 29 30 A F - 0 0 76 -2,-0.4 228,-0.1 1,-0.0 2,-0.0 -0.865 38.3 -89.0-124.3 158.8 17.7 37.0 28.2 30 31 A P - 0 0 62 0, 0.0 22,-2.7 0, 0.0 23,-0.3 -0.334 23.9-167.5 -67.5 145.5 18.2 40.4 26.6 31 32 A C > + 0 0 20 20,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.296 32.8 144.8-124.2 44.5 21.7 41.7 25.8 32 33 A R H > + 0 0 184 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.909 69.6 49.4 -53.0 -50.5 20.7 45.4 25.2 33 34 A V H >4 S+ 0 0 29 1,-0.2 3,-1.4 2,-0.2 6,-0.2 0.925 111.5 49.0 -56.8 -46.8 23.9 46.9 26.6 34 35 A A H 34 S+ 0 0 1 16,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.796 111.1 51.6 -63.5 -29.1 26.2 44.6 24.7 35 36 A K H 3< S+ 0 0 117 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.429 80.3 120.2 -90.5 1.5 24.3 45.4 21.5 36 37 A L S X< S- 0 0 72 -3,-1.4 3,-2.2 -4,-0.5 4,-0.3 -0.419 74.2-120.5 -66.2 138.2 24.5 49.1 21.8 37 38 A P G > S+ 0 0 100 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.834 111.0 60.4 -48.2 -37.6 26.3 50.8 18.8 38 39 A K G 3 S+ 0 0 127 1,-0.3 3,-0.3 2,-0.1 -4,-0.1 0.741 105.4 47.9 -66.8 -21.7 28.9 52.3 21.1 39 40 A N G X S+ 0 0 0 -3,-2.2 3,-2.3 -6,-0.2 4,-0.3 0.310 76.9 107.9-100.6 9.2 30.0 48.8 22.3 40 41 A K G X S+ 0 0 151 -3,-1.5 3,-1.1 -4,-0.3 -1,-0.2 0.900 82.8 45.9 -52.0 -45.5 30.2 47.3 18.8 41 42 A N G 3 S+ 0 0 103 -4,-0.3 -1,-0.3 -3,-0.3 48,-0.2 0.333 100.2 69.2 -83.0 8.7 34.0 47.2 19.0 42 43 A R G < S+ 0 0 30 -3,-2.3 25,-0.6 -8,-0.2 2,-0.5 0.412 88.1 78.0-102.6 2.8 34.0 45.8 22.6 43 44 A N < - 0 0 25 -3,-1.1 3,-0.1 -4,-0.3 6,-0.1 -0.935 58.2-164.6-115.5 129.2 32.7 42.5 21.4 44 45 A R S S+ 0 0 51 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.889 81.7 36.7 -76.2 -39.9 34.9 39.8 19.7 45 46 A Y > - 0 0 82 3,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.962 65.6-147.4-122.3 132.2 31.9 37.8 18.4 46 47 A R T 3 S+ 0 0 187 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.849 104.3 47.8 -57.9 -36.2 28.6 39.1 17.1 47 48 A D T 3 S+ 0 0 114 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.154 99.3 75.5 -94.9 17.8 26.9 35.9 18.5 48 49 A V < + 0 0 13 -3,-1.7 -3,-0.4 2,-0.0 -4,-0.2 -0.863 57.9 145.8-136.3 103.1 28.5 36.0 21.9 49 50 A S - 0 0 3 -2,-0.4 208,-0.6 -6,-0.1 2,-0.2 -0.929 45.8-110.6-134.8 156.4 27.2 38.5 24.4 50 51 A P B -A 256 0A 1 0, 0.0 -16,-0.3 0, 0.0 5,-0.1 -0.608 38.0-113.1 -84.7 145.2 26.6 38.8 28.2 51 52 A F - 0 0 1 204,-0.5 3,-0.4 -2,-0.2 4,-0.3 -0.430 24.1-123.3 -69.6 156.3 23.0 38.9 29.4 52 53 A D S > S+ 0 0 36 -22,-2.7 3,-1.3 1,-0.2 -1,-0.1 0.953 107.2 57.6 -67.1 -46.3 22.1 42.3 30.9 53 54 A H T 3 S+ 0 0 107 -23,-0.3 -1,-0.2 1,-0.3 -22,-0.1 0.679 118.8 28.5 -59.1 -21.3 21.1 40.8 34.2 54 55 A S T 3 S+ 0 0 11 -3,-0.4 16,-2.8 201,-0.1 -1,-0.3 0.145 85.4 126.5-130.0 23.5 24.4 39.2 34.9 55 56 A R B < -B 69 0B 31 -3,-1.3 2,-0.6 -4,-0.3 14,-0.3 -0.559 62.7-116.8 -83.4 147.6 27.1 41.2 33.1 56 57 A I - 0 0 8 12,-2.4 2,-0.4 10,-0.3 10,-0.2 -0.748 30.5-146.4 -83.2 118.4 30.1 42.5 35.0 57 58 A K - 0 0 123 -2,-0.6 8,-0.2 8,-0.1 2,-0.1 -0.703 10.7-127.4 -87.3 133.5 29.9 46.3 35.0 58 59 A L - 0 0 6 6,-3.3 8,-0.0 -2,-0.4 35,-0.0 -0.453 21.1-122.9 -72.7 153.9 33.2 48.3 34.8 59 60 A H S S+ 0 0 132 -2,-0.1 2,-0.3 4,-0.0 -1,-0.1 0.030 76.2 106.3 -89.4 28.8 33.5 50.9 37.6 60 61 A Q - 0 0 58 3,-0.1 -2,-0.1 1,-0.1 77,-0.0 -0.735 67.0-138.4-105.3 158.2 34.0 53.8 35.3 61 62 A E S S+ 0 0 203 -2,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.612 93.2 65.8 -88.5 -14.3 31.5 56.6 34.4 62 63 A D S S- 0 0 136 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.978 124.1 -19.2 -68.6 -80.8 32.4 56.6 30.7 63 64 A N - 0 0 9 2,-0.1 -1,-0.3 1,-0.1 -3,-0.1 -0.976 55.7-167.5-133.2 114.5 31.3 53.2 29.4 64 65 A D + 0 0 50 -2,-0.4 -6,-3.3 -3,-0.2 2,-0.2 0.384 48.5 122.3 -85.8 8.1 30.8 50.4 31.9 65 66 A Y + 0 0 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.430 23.1 151.1 -81.7 143.7 30.6 47.7 29.3 66 67 A I - 0 0 8 -10,-0.2 2,-2.1 -2,-0.2 -10,-0.3 -0.928 52.8-108.4-160.8 138.1 32.8 44.6 28.9 67 68 A N S S+ 0 0 0 -25,-0.6 17,-1.6 -2,-0.3 2,-0.3 -0.517 76.8 117.3 -73.7 84.0 31.8 41.2 27.4 68 69 A A E - C 0 83B 0 -2,-2.1 -12,-2.4 15,-0.2 2,-0.3 -0.972 44.8-159.4-154.3 137.4 31.8 39.3 30.7 69 70 A S E -BC 55 82B 0 13,-2.6 13,-2.3 -2,-0.3 2,-0.8 -0.897 17.6-134.4-118.4 145.6 29.2 37.4 32.8 70 71 A L E - C 0 81B 47 -16,-2.8 2,-1.0 -2,-0.3 11,-0.3 -0.864 17.0-159.6 -99.3 105.1 29.2 36.5 36.5 71 72 A I E - C 0 80B 0 9,-3.0 9,-2.2 -2,-0.8 2,-0.8 -0.769 11.8-168.5 -84.7 105.1 28.1 32.9 36.7 72 73 A K E - C 0 79B 125 -2,-1.0 2,-1.4 7,-0.2 7,-0.2 -0.817 8.4-161.6-102.6 100.1 27.0 32.7 40.3 73 74 A M E >> - C 0 78B 11 5,-2.0 5,-1.4 -2,-0.8 4,-1.0 -0.622 9.6-176.6 -84.6 90.8 26.4 29.1 41.5 74 75 A E T >45S+ 0 0 158 -2,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.904 76.6 45.5 -51.7 -58.5 24.2 29.5 44.5 75 76 A E T 345S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.889 119.6 41.9 -59.0 -39.7 23.9 25.9 45.7 76 77 A A T 345S- 0 0 12 2,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.510 102.0-133.0 -85.8 -5.7 27.6 25.2 45.3 77 78 A Q T <<5 + 0 0 144 -4,-1.0 2,-0.3 -3,-0.9 -3,-0.2 0.920 64.5 118.9 54.0 50.8 28.7 28.6 46.7 78 79 A R E < -C 73 0B 36 -5,-1.4 -5,-2.0 2,-0.0 2,-0.4 -0.996 44.6-160.7-144.3 139.8 31.2 29.3 44.0 79 80 A S E -C 72 0B 37 -2,-0.3 131,-0.9 -7,-0.2 2,-0.4 -0.937 5.7-174.9-123.7 149.1 31.3 32.1 41.5 80 81 A Y E -Cd 71 210B 0 -9,-2.2 -9,-3.0 -2,-0.4 2,-0.6 -0.991 17.6-147.5-138.4 143.2 33.1 32.4 38.1 81 82 A I E -Cd 70 211B 0 129,-2.7 131,-2.4 -2,-0.4 2,-0.5 -0.968 21.3-162.2-110.2 111.3 33.3 35.5 35.9 82 83 A L E +Cd 69 212B 0 -13,-2.3 -13,-2.6 -2,-0.6 2,-0.3 -0.848 17.4 168.5 -97.5 133.5 33.4 34.1 32.3 83 84 A T E -Cd 68 213B 2 129,-2.1 131,-0.7 -2,-0.5 -15,-0.2 -0.926 34.3-102.7-142.5 164.3 34.7 36.5 29.6 84 85 A Q - 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