==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-99 3PDZ . COMPND 2 MOLECULE: PROTEIN (TYROSINE PHOSPHATASE (PTP-BAS, TYPE 1)); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KOZLOV,K.GEHRING,I.EKIEL . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 24.0 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 1.0 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 . 17 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.3 -22.1 2.5 -2.8 2 2 A K - 0 0 171 1,-0.1 3,-0.4 0, 0.0 0, 0.0 -0.993 360.0-110.1-155.2 150.7 -20.1 -0.1 -0.9 3 3 A P S S+ 0 0 85 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.277 79.8 84.8 -63.9-162.8 -16.4 -0.9 -0.1 4 4 A G + 0 0 38 87,-0.6 88,-0.0 1,-0.3 89,-0.0 0.154 61.2 136.5 88.3 -20.5 -14.4 -3.8 -1.5 5 5 A D - 0 0 80 -3,-0.4 86,-2.7 85,-0.1 2,-0.4 -0.283 49.0-133.6 -62.1 144.5 -13.6 -1.8 -4.6 6 6 A I E +A 90 0A 100 84,-0.3 2,-0.3 -3,-0.1 84,-0.3 -0.814 26.0 175.5-104.3 143.1 -10.0 -2.0 -5.8 7 7 A F E -A 89 0A 44 82,-1.2 82,-2.0 -2,-0.4 2,-0.4 -0.916 18.1-136.3-140.4 164.9 -7.8 0.9 -6.8 8 8 A E E -A 88 0A 91 80,-0.3 2,-0.6 -2,-0.3 80,-0.3 -0.977 7.7-140.4-130.1 142.1 -4.2 1.5 -7.9 9 9 A V E -A 87 0A 5 78,-3.8 78,-2.9 -2,-0.4 2,-0.8 -0.876 13.3-169.8-101.6 114.7 -1.6 4.1 -7.0 10 10 A E E +A 86 0A 120 -2,-0.6 76,-0.2 76,-0.2 2,-0.1 -0.603 23.4 158.6-105.9 72.1 0.4 5.3 -9.9 11 11 A L E -A 85 0A 8 74,-1.9 74,-3.8 -2,-0.8 2,-1.1 -0.434 49.5-104.4 -88.3 165.7 3.2 7.3 -8.3 12 12 A A > - 0 0 59 72,-0.3 4,-0.6 1,-0.2 72,-0.2 -0.741 31.0-176.2 -95.6 92.3 6.6 8.1 -9.9 13 13 A K T 4 + 0 0 35 -2,-1.1 2,-0.3 2,-0.1 71,-0.3 0.820 68.1 77.5 -54.4 -32.1 9.1 5.9 -8.2 14 14 A N T 4 S+ 0 0 113 69,-1.6 71,-0.1 1,-0.2 69,-0.1 -0.630 102.3 13.5 -84.8 138.4 11.8 7.6 -10.2 15 15 A D T 4 S+ 0 0 139 -2,-0.3 2,-0.3 0, 0.0 -1,-0.2 -0.001 135.0 32.1 88.7 -27.9 12.9 11.1 -9.2 16 16 A N S < S- 0 0 94 -4,-0.6 28,-0.0 -3,-0.2 2,-0.0 -0.927 70.4-148.5-161.9 133.9 11.2 10.6 -5.8 17 17 A S - 0 0 68 -2,-0.3 28,-0.9 1,-0.2 -5,-0.1 0.019 36.1 -82.0 -86.0-162.8 10.4 7.7 -3.5 18 18 A L - 0 0 47 27,-0.2 27,-0.5 26,-0.2 -1,-0.2 -0.193 22.0-156.1 -93.3-171.6 7.4 7.2 -1.2 19 19 A G + 0 0 14 25,-0.4 22,-1.0 24,-0.1 25,-0.5 -0.016 45.3 123.6-161.0 40.2 6.8 8.5 2.3 20 20 A I E -B 40 0A 34 20,-0.2 2,-0.8 23,-0.1 20,-0.2 -0.905 52.4-138.9-112.8 139.8 4.3 6.2 4.1 21 21 A S E -B 39 0A 51 18,-1.2 17,-2.1 -2,-0.4 18,-1.3 -0.833 30.7-162.9 -96.0 105.8 4.8 4.4 7.3 22 22 A V E +B 37 0A 15 -2,-0.8 2,-0.2 15,-0.3 15,-0.2 -0.587 15.8 163.7 -93.8 156.0 3.3 0.9 6.8 23 23 A T E +B 36 0A 66 13,-1.1 13,-1.4 -2,-0.2 2,-0.4 -0.817 42.5 40.6-149.5-172.8 2.2 -1.7 9.3 24 24 A G E +B 35 0A 24 -2,-0.2 2,-3.2 11,-0.2 47,-1.1 -0.503 53.0 128.5 68.7-120.2 0.2 -4.9 9.7 25 25 A G + 0 0 0 9,-0.5 44,-0.3 -2,-0.4 43,-0.1 -0.320 41.0 116.7 68.5 -66.6 0.7 -7.1 6.7 26 26 A V S > S- 0 0 54 -2,-3.2 2,-2.7 1,-0.2 4,-1.1 0.127 84.3-104.0 -33.1 144.3 1.5 -10.2 8.8 27 27 A N T 4 S+ 0 0 112 1,-0.2 -1,-0.2 6,-0.1 6,-0.1 -0.355 109.4 54.7 -75.6 62.7 -1.0 -13.0 8.4 28 28 A T T 4 S+ 0 0 112 -2,-2.7 -1,-0.2 -3,-0.1 -2,-0.1 0.262 103.8 37.5-151.7 -67.7 -2.6 -12.3 11.8 29 29 A S T 4 S+ 0 0 111 -3,-0.2 -2,-0.1 -5,-0.1 -3,-0.1 0.835 117.0 56.8 -67.2 -33.3 -3.9 -8.8 12.3 30 30 A V S < S- 0 0 22 -4,-1.1 5,-0.1 2,-0.1 -6,-0.0 -0.155 104.1 -92.1 -88.0-174.0 -5.0 -8.6 8.7 31 31 A R S S- 0 0 151 3,-0.1 -1,-0.0 -2,-0.0 -4,-0.0 0.983 97.2 -38.1 -64.3 -60.5 -7.4 -10.8 6.8 32 32 A H S S- 0 0 118 -7,-0.1 -2,-0.1 37,-0.1 -3,-0.0 0.558 113.8 -39.1-132.9 -57.4 -4.8 -13.2 5.4 33 33 A G S S+ 0 0 0 -6,-0.1 36,-0.2 35,-0.1 2,-0.2 0.218 87.1 131.0-167.1 21.4 -1.6 -11.5 4.3 34 34 A G - 0 0 1 -8,-0.1 -9,-0.5 33,-0.1 2,-0.2 -0.518 54.8-115.1 -83.7 152.8 -2.4 -8.2 2.8 35 35 A I E -BC 24 58A 0 23,-1.1 23,-0.9 -2,-0.2 2,-0.4 -0.570 22.9-166.3 -89.1 153.7 -0.7 -5.0 3.8 36 36 A Y E -BC 23 57A 48 -13,-1.4 -13,-1.1 -2,-0.2 21,-0.2 -0.912 19.4-131.6-141.4 108.3 -2.3 -2.1 5.5 37 37 A V E -B 22 0A 5 19,-0.8 18,-2.0 -2,-0.4 -15,-0.3 -0.135 4.0-144.4 -56.1 154.9 -0.5 1.3 5.8 38 38 A K E - 0 0 122 -17,-2.1 2,-0.3 1,-0.4 -16,-0.2 0.902 68.8 -46.5 -85.4 -47.9 -0.4 3.0 9.2 39 39 A A E -B 21 0A 27 -18,-1.3 -18,-1.2 15,-0.1 2,-0.7 -0.968 60.3 -83.5-172.4 173.0 -0.7 6.5 7.8 40 40 A V E -B 20 0A 49 -2,-0.3 -20,-0.2 -20,-0.2 14,-0.1 -0.833 42.9-140.6 -96.8 110.9 0.7 8.9 5.1 41 41 A I > - 0 0 53 -22,-1.0 2,-3.6 -2,-0.7 3,-1.2 -0.627 11.6-130.5 -78.2 116.6 3.9 10.4 6.3 42 42 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -22,-0.1 -0.241 94.9 62.8 -61.6 61.6 4.2 14.2 5.4 43 43 A Q T 3 S+ 0 0 173 -2,-3.6 2,-0.1 -24,-0.4 -23,-0.1 0.406 85.2 64.9-149.9 -47.9 7.8 13.7 4.0 44 44 A G S <> S- 0 0 12 -3,-1.2 4,-1.7 -25,-0.5 3,-0.5 -0.385 91.5 -98.4 -87.8 168.0 7.9 11.3 1.1 45 45 A A H > S+ 0 0 16 -28,-0.9 4,-1.7 -27,-0.5 5,-0.4 0.612 117.4 68.4 -57.5 -13.2 6.4 11.7 -2.4 46 46 A A H >>S+ 0 0 2 2,-0.2 4,-3.3 3,-0.2 5,-0.9 0.980 102.3 39.1 -72.0 -57.6 3.5 9.5 -1.2 47 47 A E H 45S+ 0 0 64 -6,-0.6 -2,-0.2 -3,-0.5 -1,-0.1 0.894 116.0 56.1 -57.6 -42.8 2.0 12.0 1.2 48 48 A S H <5S+ 0 0 75 -4,-1.7 -2,-0.2 -7,-0.2 -1,-0.2 0.985 118.8 28.1 -53.6 -71.1 2.7 14.8 -1.2 49 49 A D H <5S- 0 0 125 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.907 101.6-141.8 -58.1 -41.1 0.8 13.4 -4.2 50 50 A G T <5 + 0 0 26 -4,-3.3 -3,-0.2 -5,-0.4 -4,-0.1 0.878 52.8 139.5 80.6 40.2 -1.4 11.6 -1.8 51 51 A R < + 0 0 108 -5,-0.9 -4,-0.1 -6,-0.2 2,-0.1 0.935 59.0 54.7 -79.7 -50.1 -1.8 8.4 -3.8 52 52 A I S S- 0 0 18 -6,-0.2 2,-0.3 -43,-0.1 -12,-0.1 -0.368 73.6-160.8 -80.9 162.5 -1.5 5.9 -0.9 53 53 A H > - 0 0 85 -2,-0.1 3,-1.7 -14,-0.1 -16,-0.3 -0.972 31.8 -64.9-146.9 159.9 -3.8 6.1 2.2 54 54 A K T 3 S- 0 0 127 -2,-0.3 -16,-0.2 1,-0.3 38,-0.1 -0.064 117.8 -2.2 -43.5 133.4 -4.2 5.0 5.7 55 55 A G T 3 S- 0 0 12 -18,-2.0 -1,-0.3 1,-0.2 2,-0.2 0.812 89.3-176.5 49.9 35.1 -4.5 1.2 6.1 56 56 A D < - 0 0 2 -3,-1.7 2,-1.5 1,-0.1 -19,-0.8 -0.431 27.3-129.5 -65.9 132.5 -4.4 0.8 2.3 57 57 A R E -CD 36 90A 18 33,-1.8 33,-1.6 -21,-0.2 2,-0.6 -0.646 27.4-167.1 -85.5 85.9 -4.9 -2.8 1.2 58 58 A V E +CD 35 89A 1 -2,-1.5 -23,-1.1 -23,-0.9 31,-0.2 -0.652 20.9 162.3 -79.5 116.3 -1.9 -3.2 -1.1 59 59 A L + 0 0 44 29,-1.1 7,-3.5 -2,-0.6 8,-0.6 0.581 62.8 28.7-107.0 -18.1 -2.3 -6.4 -3.2 60 60 A A E -E 65 0B 14 28,-1.0 28,-0.5 5,-0.3 2,-0.4 -0.999 50.6-167.3-147.8 149.7 0.1 -5.7 -6.0 61 61 A V E > S-E 64 0B 5 3,-0.7 3,-1.1 -2,-0.3 26,-0.2 -0.891 87.3 -27.5-138.9 101.7 3.3 -3.8 -6.7 62 62 A N T 3 S- 0 0 71 24,-3.1 25,-0.1 -2,-0.4 3,-0.1 0.677 133.2 -43.9 65.0 15.5 4.3 -3.4 -10.3 63 63 A G T 3 S+ 0 0 58 23,-0.4 2,-0.8 1,-0.2 -1,-0.3 0.458 105.9 133.1 107.0 5.5 2.4 -6.6 -10.8 64 64 A V E < -E 61 0B 65 -3,-1.1 -3,-0.7 13,-0.0 -1,-0.2 -0.790 55.1-131.5 -93.9 107.2 3.7 -8.5 -7.8 65 65 A S E -E 60 0B 100 -2,-0.8 -5,-0.3 -5,-0.2 -6,-0.1 -0.282 17.4-167.9 -57.0 134.7 0.8 -10.1 -5.9 66 66 A L + 0 0 4 -7,-3.5 -1,-0.1 3,-0.0 -6,-0.1 0.645 45.6 124.3 -97.8 -20.6 0.9 -9.4 -2.1 67 67 A E S S+ 0 0 133 -8,-0.6 -33,-0.1 1,-0.2 -8,-0.1 -0.190 74.9 28.4 -45.6 110.9 -1.7 -12.0 -1.2 68 68 A G S S+ 0 0 59 1,-0.3 2,-0.3 -43,-0.1 -1,-0.2 0.887 99.5 91.1 97.6 64.3 0.1 -14.2 1.3 69 69 A A - 0 0 11 -44,-0.3 -1,-0.3 -36,-0.2 -37,-0.1 -0.976 63.9-105.6-173.0 166.8 2.7 -12.1 3.1 70 70 A T > - 0 0 34 -2,-0.3 4,-1.6 -44,-0.1 -45,-0.3 -0.205 44.3 -90.4 -93.5-172.6 3.5 -9.8 6.1 71 71 A H H > S+ 0 0 57 -47,-1.1 4,-3.2 1,-0.2 3,-0.4 0.979 126.2 48.2 -63.6 -59.1 3.9 -6.1 6.4 72 72 A K H > S+ 0 0 119 -48,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.813 105.9 63.2 -52.4 -31.2 7.7 -6.1 5.8 73 73 A Q H > S+ 0 0 85 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.967 110.9 34.4 -59.3 -53.8 7.0 -8.3 2.8 74 74 A A H X S+ 0 0 0 -4,-1.6 4,-3.2 -3,-0.4 5,-0.4 0.926 109.0 66.5 -66.8 -43.9 5.0 -5.6 1.1 75 75 A V H X S+ 0 0 45 -4,-3.2 4,-2.1 1,-0.3 5,-0.3 0.872 104.3 47.4 -42.4 -41.8 7.3 -2.9 2.5 76 76 A E H X S+ 0 0 63 -4,-1.9 4,-3.9 -3,-0.2 -1,-0.3 0.913 114.0 45.9 -67.5 -44.5 9.9 -4.5 0.3 77 77 A T H < S+ 0 0 26 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.967 114.2 46.0 -64.1 -54.3 7.5 -4.6 -2.7 78 78 A L H < S+ 0 0 19 -4,-3.2 3,-0.3 1,-0.2 -2,-0.2 0.931 124.2 36.2 -53.5 -47.9 6.3 -1.0 -2.4 79 79 A R H < S+ 0 0 171 -4,-2.1 2,-3.5 -5,-0.4 3,-0.5 0.980 109.0 62.8 -68.4 -60.0 9.8 0.1 -1.9 80 80 A N S < S+ 0 0 103 -4,-3.9 -1,-0.2 -5,-0.3 -2,-0.1 -0.243 74.9 111.0 -66.1 58.5 11.5 -2.3 -4.3 81 81 A T - 0 0 23 -2,-3.5 2,-0.6 -3,-0.3 -1,-0.2 0.882 48.9-172.1 -95.6 -71.5 9.7 -0.9 -7.3 82 82 A G + 0 0 45 -3,-0.5 -1,-0.2 1,-0.2 3,-0.1 -0.883 62.0 22.7 121.1-104.2 12.2 1.0 -9.5 83 83 A Q S S+ 0 0 135 -2,-0.6 -69,-1.6 1,-0.2 2,-0.3 0.993 124.6 2.8 -64.7 -82.8 10.9 3.0 -12.4 84 84 A V - 0 0 54 -71,-0.3 2,-1.2 -72,-0.2 -72,-0.3 -0.743 69.2-118.7-109.8 158.7 7.3 3.9 -11.6 85 85 A V E +A 11 0A 2 -74,-3.8 -74,-1.9 -2,-0.3 2,-1.1 -0.685 40.3 165.9 -97.8 82.0 5.1 3.2 -8.6 86 86 A H E +A 10 0A 67 -2,-1.2 -24,-3.1 -76,-0.2 2,-0.6 -0.710 9.9 166.5 -99.1 82.2 2.3 1.1 -10.1 87 87 A L E -A 9 0A 10 -78,-2.9 -78,-3.8 -2,-1.1 2,-0.9 -0.879 24.6-157.7-104.0 118.7 0.6 -0.3 -7.0 88 88 A L E +A 8 0A 40 -2,-0.6 -29,-1.1 -28,-0.5 -28,-1.0 -0.804 30.3 162.5 -95.5 101.4 -2.8 -1.9 -7.4 89 89 A L E -AD 7 58A 0 -82,-2.0 -82,-1.2 -2,-0.9 2,-0.3 -0.236 32.7-115.2-104.1-164.9 -4.4 -1.8 -4.0 90 90 A E E -AD 6 57A 22 -33,-1.6 -33,-1.8 -84,-0.3 2,-0.5 -0.998 38.8 -91.0-139.4 139.8 -7.8 -2.2 -2.5 91 91 A K - 0 0 93 -86,-2.7 -87,-0.6 -2,-0.3 2,-0.2 -0.288 49.6-141.1 -52.1 102.0 -10.0 0.3 -0.6 92 92 A G - 0 0 24 -2,-0.5 -36,-0.1 -38,-0.1 -1,-0.1 -0.482 11.7-139.7 -72.2 135.5 -9.0 -0.4 2.9 93 93 A Q - 0 0 113 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 -0.275 22.9 -96.0 -86.4 176.0 -11.8 -0.3 5.5 94 94 A S - 0 0 91 2,-0.1 -1,-0.1 1,-0.1 -39,-0.0 -0.454 34.6-103.9 -90.2 165.5 -11.6 1.1 9.1 95 95 A P 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.950 360.0 360.0 -51.4 -58.6 -10.9 -0.8 12.3 96 96 A T 0 0 192 -3,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.859 360.0 360.0 -97.8 360.0 -14.5 -0.8 13.5