==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-11 3SHD . COMPND 2 MOLECULE: PHOSPHATASE NUDJ; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.K.HONG,J.K.KIM,L.W.KANG . 1800 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1172 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 167 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 357 19.8 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 156 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 5 5 0 1 1 4 6 1 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 20 1 1 0 0 0 0 0 12 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 . 16 15 11 10 7 3 10 3 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 1 0 3 8 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 0 161 0, 0.0 2,-0.3 0, 0.0 1246,-0.1 0.000 360.0 360.0 360.0 112.4 -65.4 75.1 -1.8 2 2 A F + 0 0 63 1244,-0.1 1212,-0.4 1243,-0.0 1244,-0.1 -0.411 360.0 170.0 -73.9 122.3 -63.1 73.4 0.6 3 3 A K - 0 0 59 -2,-0.3 2,-0.2 1210,-0.1 1210,-0.1 -0.950 24.3-141.3-115.5 144.2 -59.3 73.9 0.4 4 4 A P - 0 0 2 0, 0.0 2,-0.2 0, 0.0 75,-0.2 -0.598 27.6 -89.4 -99.1 171.5 -57.2 72.5 3.4 5 5 A H E -a 79 0A 29 73,-2.7 75,-2.2 -2,-0.2 2,-0.6 -0.541 39.9-154.3 -72.3 137.4 -54.2 74.0 5.1 6 6 A V E +a 80 0A 2 1204,-0.4 32,-3.6 -2,-0.2 2,-0.3 -0.957 20.5 166.8-122.1 122.5 -51.0 72.9 3.4 7 7 A T E -aB 81 37A 10 73,-2.2 75,-3.2 -2,-0.6 2,-0.3 -0.858 21.6-147.2-129.3 160.0 -47.9 72.9 5.4 8 8 A V E -aB 82 36A 1 28,-2.6 28,-2.1 -2,-0.3 2,-0.3 -0.897 14.7-173.3-127.2 155.0 -44.4 71.4 5.0 9 9 A A E -aB 83 35A 0 73,-2.7 75,-2.7 -2,-0.3 2,-0.4 -0.995 9.7-147.4-149.2 148.5 -42.0 70.1 7.7 10 10 A C E -a 84 0A 0 24,-1.9 2,-0.7 -2,-0.3 75,-0.2 -0.985 9.2-150.4-131.1 134.5 -38.4 68.9 7.8 11 11 A V E -a 85 0A 2 73,-3.3 75,-1.8 -2,-0.4 2,-0.6 -0.845 23.6-166.7 -87.0 110.7 -36.7 66.3 9.9 12 12 A V E -a 86 0A 1 -2,-0.7 7,-1.9 7,-0.4 2,-0.3 -0.941 7.1-172.3-111.9 127.1 -33.2 67.6 10.2 13 13 A H E +aC 87 18A 31 73,-2.2 75,-2.0 -2,-0.6 2,-0.3 -0.927 15.2 149.9-131.6 136.9 -30.7 65.0 11.5 14 14 A A E > - C 0 17A 2 3,-2.0 3,-1.5 -2,-0.3 75,-0.1 -0.913 67.2 -2.0-171.8 127.9 -27.0 65.4 12.5 15 15 A E T 3 S- 0 0 117 73,-0.4 3,-0.1 -2,-0.3 74,-0.1 0.854 128.9 -53.3 48.6 43.6 -24.7 63.7 14.9 16 16 A G T 3 S+ 0 0 41 1,-0.2 93,-0.4 92,-0.0 2,-0.3 0.709 118.8 100.4 71.5 19.6 -27.5 61.5 16.2 17 17 A K E < -C 14 0A 73 -3,-1.5 -3,-2.0 91,-0.1 2,-0.3 -0.936 60.7-135.9-136.3 160.8 -29.9 64.3 17.0 18 18 A F E -CD 13 107A 5 89,-3.5 89,-3.8 -2,-0.3 2,-0.4 -0.880 23.8-117.4-117.3 149.2 -32.8 66.1 15.4 19 19 A L E - D 0 106A 1 -7,-1.9 -7,-0.4 -2,-0.3 2,-0.4 -0.705 33.8-179.3 -89.0 133.1 -33.5 69.8 15.2 20 20 A V E - D 0 105A 0 85,-3.2 85,-2.4 -2,-0.4 2,-0.5 -0.943 19.1-138.9-133.0 143.7 -36.4 71.1 16.9 21 21 A V E -ED 32 104A 0 11,-3.0 11,-1.4 -2,-0.4 2,-0.6 -0.942 12.4-142.3-106.9 133.7 -37.9 74.6 17.2 22 22 A E E +ED 31 103A 32 81,-3.0 80,-3.3 -2,-0.5 81,-0.8 -0.796 23.2 176.7 -89.5 115.5 -39.3 76.1 20.5 23 23 A E E -E 30 0A 18 7,-2.5 7,-3.0 -2,-0.6 2,-0.9 -0.986 29.0-131.0-121.9 129.5 -42.4 78.2 20.1 24 24 A T E -E 29 0A 72 -2,-0.5 2,-0.5 76,-0.4 5,-0.3 -0.675 26.8-170.8 -75.9 109.6 -44.3 79.7 23.0 25 25 A I E > -E 28 0A 60 3,-3.1 3,-1.5 -2,-0.9 -2,-0.0 -0.922 64.3 -34.2-113.1 127.3 -47.9 78.9 22.4 26 26 A N T 3 S- 0 0 159 -2,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.902 129.9 -31.2 7.2 86.7 -50.2 80.6 24.8 27 27 A G T 3 S+ 0 0 80 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.218 124.0 80.0 97.8 -42.2 -48.0 80.6 27.8 28 28 A K E < S-E 25 0A 112 -3,-1.5 -3,-3.1 -2,-0.4 2,-0.6 -0.730 74.6-119.3-110.0 153.3 -46.0 77.4 27.3 29 29 A A E -E 24 0A 32 -5,-0.3 2,-0.3 -2,-0.3 -5,-0.3 -0.774 34.6-171.5 -93.4 117.2 -43.0 76.5 25.1 30 30 A L E -E 23 0A 23 -7,-3.0 -7,-2.5 -2,-0.6 2,-0.3 -0.745 16.9-126.6-109.5 151.7 -43.7 73.7 22.6 31 31 A W E +Ef 22 118A 24 86,-1.8 88,-2.8 -2,-0.3 89,-0.4 -0.769 33.3 159.5 -99.8 142.9 -41.5 71.7 20.3 32 32 A N E -E 21 0A 13 -11,-1.4 -11,-3.0 -2,-0.3 3,-0.0 -0.970 43.2-100.5-148.6 158.0 -41.9 71.3 16.5 33 33 A Q - 0 0 1 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.1 -0.487 61.8 -85.6 -61.7 156.0 -40.1 70.4 13.4 34 34 A P S S+ 0 0 3 0, 0.0 -24,-1.9 0, 0.0 2,-0.3 -0.633 84.1 144.5 -60.6 120.7 -39.0 73.5 11.4 35 35 A A E +B 9 0A 9 -2,-0.4 2,-0.3 16,-0.3 -26,-0.2 -0.987 20.8 142.7-166.8 149.2 -42.4 73.7 9.6 36 36 A G E -B 8 0A 12 -28,-2.1 -28,-2.6 -2,-0.3 2,-0.2 -0.963 43.3 -46.9-174.8-163.5 -45.0 76.0 8.2 37 37 A H E -B 7 0A 60 -2,-0.3 2,-0.3 -30,-0.3 -30,-0.3 -0.539 47.3-115.9 -91.6 146.5 -47.6 76.9 5.6 38 38 A L - 0 0 2 -32,-3.6 -32,-0.2 -2,-0.2 2,-0.2 -0.638 35.5-152.1 -75.0 137.1 -47.2 76.8 1.8 39 39 A E > - 0 0 91 -2,-0.3 3,-0.7 1,-0.1 8,-0.1 -0.654 30.2 -63.6-109.7 166.8 -47.4 80.2 0.2 40 40 A A T 3 S+ 0 0 60 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.146 114.5 3.2 -52.6 133.6 -48.5 81.5 -3.3 41 41 A D T 3 S+ 0 0 84 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.892 101.6 127.9 61.9 47.1 -46.5 80.4 -6.3 42 42 A E < - 0 0 20 -3,-0.7 2,-0.3 4,-0.0 -1,-0.2 -0.990 57.8-126.1-140.2 136.2 -44.2 78.2 -4.3 43 43 A T > - 0 0 3 -2,-0.4 4,-4.0 1,-0.1 5,-0.2 -0.687 28.5-119.2 -75.7 137.7 -43.2 74.6 -4.6 44 44 A L H > S+ 0 0 0 -2,-0.3 4,-3.0 97,-0.3 5,-0.2 0.897 118.8 49.8 -36.6 -53.6 -43.7 72.4 -1.5 45 45 A V H > S+ 0 0 20 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.987 110.3 47.6 -60.3 -55.4 -39.9 71.9 -1.6 46 46 A E H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.913 112.0 52.8 -45.4 -51.3 -39.2 75.7 -1.9 47 47 A A H X S+ 0 0 0 -4,-4.0 4,-3.2 2,-0.2 5,-0.4 0.963 108.8 48.1 -45.4 -59.8 -41.7 76.1 1.0 48 48 A A H X S+ 0 0 1 -4,-3.0 4,-1.4 1,-0.3 -2,-0.2 0.875 113.4 48.5 -53.9 -41.1 -39.8 73.6 3.1 49 49 A A H X S+ 0 0 16 -4,-3.0 4,-1.9 -5,-0.2 -1,-0.3 0.892 113.3 47.5 -65.0 -37.4 -36.6 75.3 2.3 50 50 A R H X S+ 0 0 43 -4,-2.9 4,-3.0 -5,-0.3 5,-0.2 0.974 110.8 48.3 -72.5 -50.7 -38.1 78.7 3.2 51 51 A E H X S+ 0 0 16 -4,-3.2 4,-2.2 1,-0.2 -16,-0.3 0.807 110.2 54.8 -62.5 -26.6 -39.7 77.8 6.5 52 52 A L H X>S+ 0 0 2 -4,-1.4 4,-1.7 -5,-0.4 5,-0.8 0.967 110.4 44.1 -64.9 -51.2 -36.4 76.1 7.5 53 53 A W H >X5S+ 0 0 118 -4,-1.9 4,-3.0 4,-0.2 3,-0.6 0.969 117.0 47.9 -59.4 -52.1 -34.4 79.3 6.8 54 54 A E H 3<5S+ 0 0 48 -4,-3.0 43,-2.7 1,-0.2 -1,-0.2 0.865 118.2 37.9 -50.0 -49.5 -37.1 81.4 8.6 55 55 A E H 3<5S+ 0 0 10 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.601 141.4 4.6 -87.6 -9.4 -37.5 79.3 11.7 56 56 A T H <<5S- 0 0 0 -4,-1.7 39,-3.2 -3,-0.6 -3,-0.2 0.430 86.7-123.6-143.5 -18.9 -33.8 78.3 12.2 57 57 A G << + 0 0 21 -4,-3.0 2,-0.4 -5,-0.8 -4,-0.2 0.757 58.3 147.7 59.7 28.0 -31.7 80.1 9.6 58 58 A I - 0 0 9 -6,-0.7 2,-0.7 -9,-0.1 -1,-0.3 -0.785 42.5-144.8 -82.1 137.3 -30.3 76.9 8.3 59 59 A S + 0 0 111 -2,-0.4 2,-0.3 -3,-0.1 -9,-0.1 -0.876 49.1 122.4-100.4 97.2 -29.6 77.2 4.6 60 60 A A - 0 0 25 -2,-0.7 -7,-0.1 -11,-0.2 -8,-0.1 -0.990 55.0-126.6-151.6 149.2 -30.3 73.7 3.1 61 61 A Q - 0 0 117 -2,-0.3 2,-0.1 -9,-0.1 -15,-0.1 -0.802 41.8 -99.1 -94.6 141.0 -32.6 72.1 0.5 62 62 A P - 0 0 4 0, 0.0 24,-0.2 0, 0.0 76,-0.1 -0.426 33.8-159.1 -57.1 128.8 -34.9 69.1 1.6 63 63 A Q + 0 0 53 22,-2.2 75,-0.4 1,-0.2 2,-0.3 0.795 61.4 0.6 -87.4 -31.5 -33.1 65.9 0.5 64 64 A H E -G 85 0A 11 21,-1.3 21,-1.8 73,-0.1 2,-0.7 -0.991 68.8-110.5-149.3 162.1 -36.0 63.3 0.3 65 65 A F E -GH 84 136A 0 71,-2.4 71,-1.1 -2,-0.3 19,-0.3 -0.812 27.5-177.3 -93.9 117.8 -39.7 63.1 0.8 66 66 A I E - 0 0 0 17,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.977 53.2 -68.9 -74.2 -58.2 -40.5 61.1 3.9 67 67 A R E -G 83 0A 13 16,-1.2 16,-2.9 69,-0.1 2,-0.4 -0.952 38.6-107.9-177.5 178.8 -44.2 61.1 3.7 68 68 A M E -G 82 0A 0 1280,-1.5 2,-0.5 -2,-0.3 14,-0.2 -1.000 21.4-154.4-134.0 136.2 -47.4 63.2 4.0 69 69 A H E -G 81 0A 0 12,-2.3 12,-3.0 -2,-0.4 2,-0.6 -0.910 2.9-158.2-112.1 132.9 -49.9 63.2 6.8 70 70 A Q E +Gi 801351A 10 1280,-1.8 1282,-2.3 -2,-0.5 2,-0.3 -0.958 31.4 158.9-101.5 119.3 -53.6 64.3 6.5 71 71 A W E -G 79 0A 33 8,-1.4 8,-2.6 -2,-0.6 1282,-0.1 -0.984 40.9-140.4-142.1 157.4 -54.9 65.2 9.9 72 72 A I - 0 0 10 1280,-0.4 -1,-0.1 -2,-0.3 1281,-0.1 0.858 35.7-140.3 -89.3 -36.0 -57.7 67.3 11.4 73 73 A A > - 0 0 12 3,-0.2 3,-2.7 1,-0.1 47,-0.0 0.393 28.7 -85.9 83.3 143.6 -56.3 69.0 14.5 74 74 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.781 128.0 47.0 -63.3 -31.0 -57.9 69.7 17.8 75 75 A D T 3 S- 0 0 114 2,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.100 120.7-105.1 -98.2 23.7 -59.6 72.8 16.8 76 76 A K S < S+ 0 0 121 -3,-2.7 -3,-0.2 1,-0.2 -1,-0.0 0.367 70.3 148.5 73.9 -1.9 -60.9 71.2 13.6 77 77 A T - 0 0 31 1,-0.1 -1,-0.2 -73,-0.0 2,-0.2 -0.531 45.8-130.7 -66.9 112.4 -58.4 73.0 11.3 78 78 A P - 0 0 26 0, 0.0 -73,-2.7 0, 0.0 2,-0.3 -0.431 27.2-166.9 -76.5 134.0 -57.7 70.6 8.4 79 79 A F E -aG 5 71A 37 -8,-2.6 -8,-1.4 -2,-0.2 2,-0.5 -0.901 29.6-169.8-124.0 145.4 -54.1 69.9 7.3 80 80 A L E -aG 6 70A 1 -75,-2.2 -73,-2.2 -2,-0.3 2,-0.7 -0.957 29.2-168.1-123.1 105.4 -52.0 68.3 4.5 81 81 A R E -aG 7 69A 13 -12,-3.0 -12,-2.3 -2,-0.5 2,-0.5 -0.866 8.8-154.0-108.8 111.1 -48.6 68.2 6.1 82 82 A F E -aG 8 68A 0 -75,-3.2 -73,-2.7 -2,-0.7 2,-0.4 -0.742 11.5-155.4 -91.1 127.9 -45.6 67.4 3.9 83 83 A L E +aG 9 67A 0 -16,-2.9 -17,-2.1 -2,-0.5 -16,-1.2 -0.875 13.9 179.0-112.5 131.0 -42.6 65.8 5.6 84 84 A F E -aG 10 65A 0 -75,-2.7 -73,-3.3 -2,-0.4 2,-0.4 -0.765 16.9-137.2-129.5 167.7 -39.0 65.9 4.4 85 85 A A E +aG 11 64A 3 -21,-1.8 -22,-2.2 -2,-0.2 -21,-1.3 -0.972 15.0 176.6-134.8 140.2 -35.5 64.8 5.4 86 86 A I E -a 12 0A 1 -75,-1.8 -73,-2.2 -2,-0.4 2,-0.4 -0.985 11.7-160.3-140.0 125.6 -32.1 66.5 5.4 87 87 A E E -a 13 0A 14 -2,-0.4 2,-0.3 -75,-0.2 -73,-0.2 -0.952 9.8-170.2-104.0 134.5 -28.9 64.9 6.7 88 88 A L - 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0 0 10 -3,-1.5 -78,-0.2 1,-0.2 -3,-0.2 -0.864 55.1-169.6-116.2 118.9 -39.5 81.0 17.5 102 102 A D - 0 0 84 -80,-3.3 2,-0.3 -2,-0.5 -1,-0.2 0.947 67.1 -49.1 -74.6 -42.6 -37.8 81.2 20.8 103 103 A C E -D 22 0A 44 -81,-0.8 -81,-3.0 -8,-0.1 2,-0.4 -0.985 50.5 -97.2-175.0 176.1 -34.9 79.0 19.8 104 104 A C E -D 21 0A 21 -2,-0.3 2,-0.4 -83,-0.2 -83,-0.2 -0.924 28.3-168.5-113.4 138.0 -33.6 75.8 18.2 105 105 A R E -D 20 0A 112 -85,-2.4 -85,-3.2 -2,-0.4 2,-0.5 -0.942 17.1-142.4-122.6 143.5 -32.6 72.7 20.1 106 106 A W E +D 19 0A 47 -2,-0.4 2,-0.3 -87,-0.2 -87,-0.2 -0.961 38.6 174.7-103.0 121.6 -30.8 69.7 18.8 107 107 A V E -D 18 0A 7 -89,-3.8 -89,-3.5 -2,-0.5 5,-0.1 -0.904 32.5-102.3-139.5 149.6 -32.3 66.7 20.5 108 108 A S > - 0 0 19 -2,-0.3 4,-1.5 -91,-0.2 -91,-0.1 -0.286 32.4-119.0 -70.0 156.0 -32.3 62.9 20.6 109 109 A A H > S+ 0 0 1 -93,-0.4 4,-2.9 1,-0.2 3,-0.2 0.907 116.0 52.8 -62.5 -36.3 -35.1 60.9 19.0 110 110 A E H > S+ 0 0 112 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.896 105.6 54.9 -70.4 -33.9 -36.1 59.4 22.4 111 111 A E H 4 S+ 0 0 86 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.819 109.8 46.8 -64.5 -33.0 -36.3 62.9 23.8 112 112 A I H >< S+ 0 0 0 -4,-1.5 3,-1.7 -3,-0.2 -2,-0.2 0.968 113.8 46.3 -72.4 -52.3 -38.7 63.8 21.1 113 113 A L H 3< S+ 0 0 56 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.783 115.8 46.1 -61.6 -30.2 -40.8 60.7 21.5 114 114 A Q T 3< S+ 0 0 168 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.459 88.9 120.6 -84.7 -3.7 -40.9 61.0 25.4 115 115 A A < - 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