==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-06 2GI4 . COMPND 2 MOLECULE: POSSIBLE PHOSPHOTYROSINE PROTEIN PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR D.TOLKATCHEV,R.SHAYKHUTDINOV,P.XU,F.NI . 156 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 2 0 0 0 0 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 216 0, 0.0 2,-0.6 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 71.7 16.3 -6.6 -7.3 2 2 A K - 0 0 28 32,-0.4 34,-2.2 31,-0.2 2,-0.4 -0.798 360.0-174.8 -93.7 121.7 13.2 -6.9 -5.1 3 3 A K E -a 36 0A 51 -2,-0.6 81,-2.0 78,-0.2 80,-1.7 -0.963 10.5-161.6-121.2 131.9 10.3 -4.7 -6.1 4 4 A I E -ab 37 84A 4 32,-2.2 34,-2.3 -2,-0.4 2,-0.7 -0.938 4.8-161.5-115.1 114.3 7.1 -4.3 -4.2 5 5 A L E -ab 38 85A 2 79,-2.8 81,-2.1 -2,-0.6 2,-0.4 -0.838 6.7-165.3 -99.2 110.6 4.1 -2.8 -6.0 6 6 A F E -ab 39 86A 1 32,-2.7 34,-2.3 -2,-0.7 2,-0.5 -0.774 5.6-154.0 -95.1 134.5 1.4 -1.4 -3.7 7 7 A I E +a 40 0A 0 79,-1.8 2,-0.4 -2,-0.4 82,-0.4 -0.939 14.0 178.0-115.0 125.7 -2.0 -0.7 -5.2 8 8 A C - 0 0 2 32,-2.0 34,-0.3 -2,-0.5 80,-0.1 -0.985 26.0-143.8-129.2 123.2 -4.4 1.9 -3.7 9 9 A L S S+ 0 0 55 -2,-0.4 33,-0.5 1,-0.2 34,-0.3 0.932 105.1 17.0 -45.0 -62.0 -7.8 2.7 -5.2 10 10 A G S S- 0 0 1 31,-0.1 38,-0.6 37,-0.1 39,-0.2 0.830 79.8-166.2 -83.3 -34.4 -7.6 6.4 -4.3 11 11 A N + 0 0 4 36,-0.2 61,-0.1 1,-0.1 -2,-0.1 0.685 69.8 93.3 54.0 17.4 -3.9 6.5 -3.7 12 12 A I S S+ 0 0 15 38,-0.2 39,-1.5 37,-0.1 -1,-0.1 -0.031 93.3 19.8-125.5 26.2 -4.7 9.9 -2.1 13 13 A C S > S+ 0 0 2 37,-0.2 4,-1.4 42,-0.1 5,-0.2 0.129 131.5 19.3-151.3 -84.9 -5.1 8.7 1.5 14 14 A R H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.746 120.1 61.9 -73.9 -25.0 -3.7 5.4 2.7 15 15 A S H > S+ 0 0 5 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.945 107.8 38.8 -67.3 -51.2 -1.2 5.2 -0.2 16 16 A P H > S+ 0 0 6 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.939 118.1 47.3 -66.8 -49.1 0.8 8.4 0.6 17 17 A M H >X S+ 0 0 4 -4,-1.4 4,-1.9 1,-0.2 3,-0.7 0.973 117.3 41.5 -56.8 -57.9 0.8 8.0 4.4 18 18 A A H 3X S+ 0 0 3 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.793 107.1 66.2 -60.8 -27.8 1.8 4.4 4.4 19 19 A E H 3X S+ 0 0 17 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.911 105.8 40.9 -60.2 -42.9 4.3 5.3 1.6 20 20 A F H < S+ 0 0 102 -4,-1.5 3,-0.6 -3,-0.3 4,-0.2 0.971 116.3 36.0 -70.9 -58.5 11.2 5.0 6.6 25 25 A L H >X S+ 0 0 74 -4,-2.1 3,-2.1 1,-0.2 4,-0.5 0.827 106.8 67.7 -66.5 -34.9 11.4 1.5 8.2 26 26 A V H 3X>S+ 0 0 16 -4,-3.1 4,-2.4 1,-0.3 5,-1.2 0.819 83.0 75.2 -56.5 -31.3 12.5 -0.2 5.0 27 27 A K H <<5S+ 0 0 128 -3,-0.6 -1,-0.3 -4,-0.6 5,-0.2 0.770 89.6 61.6 -51.7 -26.8 15.8 1.7 5.2 28 28 A K H <45S- 0 0 152 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.946 130.3 -2.2 -67.3 -53.1 16.7 -0.7 8.0 29 29 A A H <5S+ 0 0 45 -4,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.050 137.1 44.2-131.4 27.3 16.6 -4.0 6.0 30 30 A N T <>S+ 0 0 8 -4,-2.4 5,-0.9 -5,-0.1 3,-0.3 0.561 106.4 48.0-132.4 -57.1 15.6 -2.9 2.5 31 31 A L T > S+ 0 0 90 26,-0.1 3,-1.3 -36,-0.1 2,-0.1 0.380 98.1 134.3-145.8 -19.7 -6.5 10.7 -10.1 47 47 A D T 3 + 0 0 2 -38,-0.3 25,-1.6 1,-0.2 -6,-0.4 -0.160 59.9 61.2 -43.2 102.2 -4.6 8.3 -7.8 48 48 A G T 3 + 0 0 1 -38,-0.6 22,-1.6 23,-0.3 -1,-0.2 0.164 68.3 94.2 162.6 -26.1 -1.6 10.4 -6.9 49 49 A E < - 0 0 76 -3,-1.3 19,-0.2 -39,-0.2 -37,-0.1 0.981 68.9-150.5 -52.2 -72.5 -2.7 13.5 -5.2 50 50 A G + 0 0 2 1,-0.2 2,-0.2 -40,-0.2 -37,-0.2 0.896 45.4 114.6 96.9 65.7 -2.3 12.3 -1.6 51 51 A M + 0 0 88 -39,-1.5 2,-0.3 15,-0.1 -1,-0.2 -0.814 24.3 154.4-167.4 123.0 -4.7 14.1 0.7 52 52 A H >> - 0 0 16 -2,-0.2 4,-2.8 -39,-0.1 5,-0.5 -0.993 46.9-116.1-150.4 150.3 -7.7 12.9 2.7 53 53 A Y H >5S+ 0 0 152 -2,-0.3 4,-2.0 1,-0.2 5,-0.3 0.934 114.2 38.4 -49.5 -57.8 -9.6 14.0 5.8 54 54 A G H >5S+ 0 0 0 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.942 122.9 39.3 -62.4 -53.3 -8.8 10.9 7.9 55 55 A T H >5S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.948 118.3 46.5 -65.1 -51.1 -5.2 10.4 6.7 56 56 A K H X5S+ 0 0 92 -4,-2.8 4,-2.7 2,-0.2 -3,-0.2 0.936 113.8 48.6 -57.5 -49.4 -4.1 14.1 6.6 57 57 A N H XS+ 0 0 26 -4,-2.0 4,-0.6 -5,-0.3 5,-0.5 0.915 112.6 44.7 -56.4 -46.1 -3.9 11.7 11.4 59 59 A L H ><5S+ 0 0 5 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.847 106.6 60.6 -67.7 -35.4 -0.6 13.0 10.0 60 60 A A H 3<5S+ 0 0 53 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.827 91.6 69.3 -61.5 -32.4 -1.3 16.5 11.3 61 61 A Q H 3<5S- 0 0 149 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.875 138.9 -40.1 -53.9 -41.3 -1.4 15.1 14.8 62 62 A L T <<5S+ 0 0 130 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.360 120.9 76.2-155.4 -42.2 2.3 14.4 14.7 63 63 A N S - 0 0 40 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.607 53.7 -87.0-130.4-169.4 -0.5 -1.0 -15.3 76 76 A Q H > S+ 0 0 83 2,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.942 124.7 48.5 -69.3 -49.5 0.7 -4.2 -16.9 77 77 A K H 4 S+ 0 0 141 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.860 114.5 47.8 -59.1 -37.0 4.2 -2.9 -17.7 78 78 A L H >> S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 3,-1.4 0.926 110.4 49.6 -70.5 -46.3 4.5 -1.6 -14.2 79 79 A C H 3< S+ 0 0 13 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.850 102.0 63.7 -61.1 -34.8 3.3 -4.9 -12.6 80 80 A D T 3< S+ 0 0 136 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.712 104.3 50.0 -62.3 -19.9 5.8 -6.7 -14.8 81 81 A E T <4 S+ 0 0 105 -3,-1.4 -2,-0.2 -4,-0.4 -78,-0.2 0.951 96.9 70.5 -83.2 -58.6 8.5 -4.9 -12.9 82 82 A S < - 0 0 8 -4,-1.5 -78,-0.2 1,-0.1 3,-0.1 -0.312 66.9-151.6 -62.5 142.6 7.6 -5.5 -9.3 83 83 A D S S+ 0 0 100 -80,-1.7 2,-0.4 1,-0.1 -79,-0.2 0.747 82.2 41.9 -85.7 -26.7 8.1 -9.0 -8.0 84 84 A F E -b 4 0A 61 -81,-2.0 -79,-2.8 2,-0.0 2,-0.4 -0.956 69.5-159.4-125.0 142.2 5.3 -8.7 -5.5 85 85 A L E -bc 5 107A 8 21,-2.3 23,-1.1 -2,-0.4 2,-0.4 -0.956 6.9-173.5-123.2 140.0 1.8 -7.2 -5.8 86 86 A I E +bc 6 108A 7 -81,-2.1 -79,-1.8 -2,-0.4 23,-0.2 -0.989 14.0 173.7-134.0 141.8 -0.5 -5.9 -3.1 87 87 A T + 0 0 0 21,-2.6 2,-0.5 -2,-0.4 -78,-0.2 0.812 0.3 176.9-107.2 -63.3 -4.1 -4.7 -3.2 88 88 A M + 0 0 7 20,-0.8 2,-0.3 1,-0.2 34,-0.2 -0.036 53.9 105.6 77.7 -32.5 -5.4 -4.1 0.4 89 89 A D > - 0 0 0 -2,-0.5 4,-0.9 -82,-0.4 -1,-0.2 -0.613 69.2-143.1 -81.4 135.2 -8.6 -2.8 -1.2 90 90 A N H > S+ 0 0 71 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.898 100.6 32.5 -63.6 -43.8 -11.6 -5.1 -1.0 91 91 A S H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.874 109.2 64.6 -81.9 -41.2 -13.0 -4.1 -4.5 92 92 A N H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.751 97.0 62.6 -54.5 -24.6 -9.6 -3.4 -6.2 93 93 A F H X S+ 0 0 56 -4,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.985 106.6 38.4 -65.4 -60.2 -8.9 -7.1 -5.7 94 94 A K H X S+ 0 0 154 -4,-0.7 4,-1.6 2,-0.2 5,-0.2 0.899 120.1 49.0 -57.6 -43.3 -11.7 -8.5 -7.9 95 95 A N H X S+ 0 0 90 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.970 110.4 47.5 -61.5 -57.1 -11.2 -5.7 -10.4 96 96 A V H X S+ 0 0 4 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.747 107.3 63.0 -57.3 -24.2 -7.5 -6.1 -10.7 97 97 A L H >< S+ 0 0 65 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.979 113.1 28.9 -65.6 -58.6 -8.1 -9.8 -11.1 98 98 A K H 3< S+ 0 0 200 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.569 116.4 64.8 -79.1 -9.3 -10.1 -9.7 -14.3 99 99 A N H 3< S+ 0 0 97 -4,-1.6 2,-0.2 -5,-0.2 -1,-0.2 0.708 107.6 39.6 -84.7 -22.5 -8.2 -6.5 -15.3 100 100 A F S << S- 0 0 30 -4,-1.0 4,-0.1 -3,-0.6 -24,-0.0 -0.691 91.7 -91.8-121.0 174.5 -4.9 -8.3 -15.6 101 101 A T > - 0 0 80 -2,-0.2 3,-1.2 1,-0.1 -1,-0.2 0.108 61.7 -71.9 -71.8-169.4 -3.6 -11.7 -16.9 102 102 A N G > S+ 0 0 144 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.323 117.5 88.2 -70.4 10.6 -3.3 -14.9 -14.9 103 103 A T G > + 0 0 43 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.336 56.4 94.6 -90.4 6.3 -0.3 -13.2 -13.2 104 104 A Q G X + 0 0 33 -3,-1.2 3,-2.1 1,-0.3 -1,-0.2 0.568 58.7 88.8 -72.9 -8.0 -2.6 -11.7 -10.6 105 105 A N G < S+ 0 0 116 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.626 76.2 67.4 -64.5 -11.8 -1.7 -14.7 -8.4 106 106 A K G < S+ 0 0 101 -3,-1.3 -21,-2.3 -22,-0.1 -1,-0.3 0.307 81.5 105.1 -90.3 7.8 1.1 -12.5 -7.2 107 107 A V E < -c 85 0A 22 -3,-2.1 2,-0.3 -23,-0.1 -21,-0.3 -0.666 56.0-155.2 -92.2 145.5 -1.4 -10.1 -5.5 108 108 A L E -c 86 0A 37 -23,-1.1 -21,-2.6 -2,-0.3 -20,-0.8 -0.889 2.4-146.7-120.5 150.7 -2.0 -10.1 -1.7 109 109 A K > - 0 0 45 -2,-0.3 3,-0.8 -22,-0.2 4,-0.4 -0.913 14.4-144.7-118.9 145.0 -5.0 -9.0 0.3 110 110 A I T 3> S+ 0 0 3 -2,-0.4 4,-2.5 1,-0.2 3,-0.5 0.672 94.5 78.1 -77.6 -17.3 -5.2 -7.4 3.7 111 111 A T T 34 S+ 0 0 59 1,-0.3 -1,-0.2 2,-0.2 7,-0.1 0.788 93.7 50.8 -61.1 -27.0 -8.3 -9.3 4.5 112 112 A D T <4 S+ 0 0 136 -3,-0.8 -1,-0.3 1,-0.0 -2,-0.2 0.753 120.6 33.7 -81.4 -26.5 -6.0 -12.3 5.2 113 113 A F T 4 S+ 0 0 56 -3,-0.5 -2,-0.2 -4,-0.4 -3,-0.1 0.922 100.4 77.4 -90.8 -66.0 -3.8 -10.3 7.5 114 114 A S < - 0 0 15 -4,-2.5 4,-0.1 1,-0.1 23,-0.0 -0.194 59.9-171.1 -49.4 130.4 -6.1 -7.8 9.3 115 115 A P S S+ 0 0 91 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.883 75.5 2.3 -89.6 -87.1 -8.1 -9.6 12.0 116 116 A S S S+ 0 0 119 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.155 108.7 96.2 -90.1 18.9 -10.9 -7.5 13.6 117 117 A L + 0 0 29 -6,-0.1 -1,-0.2 2,-0.1 20,-0.1 0.943 47.6 170.5 -72.4 -49.0 -10.1 -4.6 11.2 118 118 A N + 0 0 152 -3,-0.4 2,-0.1 1,-0.1 -2,-0.1 0.852 23.4 169.2 36.1 51.5 -12.8 -5.5 8.7 119 119 A Y - 0 0 20 1,-0.2 -1,-0.1 18,-0.0 -29,-0.1 -0.477 27.8-136.8 -89.8 162.9 -12.2 -2.2 6.9 120 120 A D - 0 0 91 2,-0.2 2,-1.1 -2,-0.1 -1,-0.2 0.262 60.0 -36.1 -92.1-141.6 -13.5 -1.1 3.5 121 121 A E S S- 0 0 30 1,-0.1 -1,-0.1 -32,-0.1 -32,-0.1 -0.745 116.7 -26.0 -90.4 98.7 -11.6 0.6 0.8 122 122 A V S S- 0 0 1 -2,-1.1 -2,-0.2 -34,-0.2 -1,-0.1 0.555 75.6-109.4 70.7 136.1 -9.2 3.0 2.5 123 123 A P > + 0 0 0 0, 0.0 4,-0.5 0, 0.0 5,-0.2 0.611 64.9 104.6 -67.2-134.6 -9.9 4.4 6.0 124 124 A D H >>>S- 0 0 0 7,-0.3 4,-2.5 6,-0.2 3,-1.2 0.315 86.5 -84.0 67.5 156.0 -10.8 8.1 6.7 125 125 A P H 345S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.739 125.0 67.0 -65.2 -24.1 -14.3 9.3 7.6 126 126 A W H 345S+ 0 0 181 1,-0.2 -2,-0.1 2,-0.1 5,-0.0 0.743 117.9 23.2 -69.4 -22.9 -15.2 9.5 3.9 127 127 A Y H <<5S+ 0 0 76 -3,-1.2 -1,-0.2 -4,-0.5 -3,-0.2 0.635 147.8 9.5-113.4 -25.9 -15.0 5.7 3.7 128 128 A S T <5S- 0 0 52 -4,-2.5 -2,-0.1 -5,-0.2 3,-0.1 0.700 96.3-110.0-119.3 -57.5 -15.5 4.7 7.4 129 129 A G S > S+ 0 0 87 -2,-0.3 3,-1.7 1,-0.2 4,-0.5 0.905 102.2 57.9 -77.7 -44.1 -10.2 10.1 11.3 132 132 A D H >> S+ 0 0 77 1,-0.3 4,-1.8 2,-0.2 3,-0.8 0.722 89.2 78.8 -58.0 -21.1 -8.5 7.9 13.9 133 133 A E H 3> S+ 0 0 48 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.900 86.6 56.9 -55.5 -40.4 -9.7 5.0 11.7 134 134 A T H <> S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.4 5,-0.5 0.834 104.3 55.3 -59.2 -32.5 -6.7 5.8 9.4 135 135 A Y H