==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-04 1XFK . COMPND 2 MOLECULE: FORMIMIDOYLGLUTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR R.WU,R.ZHANG,C.SHONDA,A.JOACHIMIAK,MIDWEST CENTER FOR . 324 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 30 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 0 0 1 1 0 1 2 0 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 1 3 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 10 A T 0 0 162 0, 0.0 2,-0.7 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 136.0 25.4 16.3 30.0 2 11 A W + 0 0 34 19,-0.2 2,-0.3 16,-0.2 19,-0.1 -0.870 360.0 151.4 -99.5 117.0 23.2 17.0 33.0 3 12 A Q + 0 0 146 -2,-0.7 2,-0.3 62,-0.1 15,-0.1 -0.937 3.8 133.8-140.5 162.4 20.4 19.4 32.2 4 13 A G - 0 0 26 -2,-0.3 2,-0.2 14,-0.1 65,-0.1 -0.889 51.8 -15.8-174.1-154.4 16.9 20.0 33.4 5 14 A R - 0 0 147 -2,-0.3 2,-0.4 64,-0.0 11,-0.1 -0.454 48.6-159.5 -75.5 141.8 14.3 22.6 34.5 6 15 A H - 0 0 118 -2,-0.2 3,-0.1 9,-0.0 9,-0.1 -0.991 11.1-173.9-125.2 129.2 15.4 26.2 35.3 7 16 A D > - 0 0 22 -2,-0.4 3,-2.6 7,-0.3 4,-0.4 -0.744 3.6-179.2-122.7 81.0 13.3 28.6 37.4 8 17 A P G > S+ 0 0 111 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.774 76.8 69.9 -50.7 -30.7 15.2 31.9 37.3 9 18 A E G 3 S+ 0 0 141 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.664 99.1 51.9 -64.5 -13.5 12.6 33.5 39.6 10 19 A D G X S- 0 0 82 -3,-2.6 3,-1.2 1,-0.2 -1,-0.3 0.559 90.7-164.2 -99.3 -11.1 14.0 31.4 42.4 11 20 A G G X - 0 0 46 -3,-1.3 3,-1.8 -4,-0.4 -1,-0.2 -0.250 63.3 -16.5 63.4-148.8 17.7 32.2 42.0 12 21 A Q G 3 S+ 0 0 186 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.692 130.6 69.7 -64.0 -18.8 20.3 30.0 43.7 13 22 A A G < S+ 0 0 94 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.558 79.9 76.2 -77.8 -8.0 17.6 28.5 45.9 14 23 A G S < S+ 0 0 19 -3,-1.8 -7,-0.3 -7,-0.1 2,-0.3 -0.154 71.6 160.7 -94.0 40.3 16.1 26.7 42.9 15 24 A R + 0 0 77 -3,-0.4 57,-2.9 57,-0.2 2,-0.3 -0.451 12.9 175.2 -70.8 125.6 18.9 24.1 43.0 16 25 A R B >> -A 71 0A 49 55,-0.3 3,-1.1 -2,-0.3 4,-0.8 -0.755 46.4 -96.3-121.4 168.4 18.3 20.8 41.2 17 26 A V H >> S+ 0 0 0 53,-2.9 3,-1.3 50,-0.4 4,-1.0 0.897 120.8 57.0 -53.8 -45.2 20.7 17.8 40.7 18 27 A H H 34 S+ 0 0 12 50,-2.4 -1,-0.3 1,-0.3 -16,-0.2 0.773 97.5 64.2 -61.1 -24.6 21.7 18.9 37.2 19 28 A H H <4 S+ 0 0 75 -3,-1.1 -1,-0.3 49,-0.3 -2,-0.2 0.834 119.5 22.1 -66.5 -32.0 22.8 22.3 38.6 20 29 A I H << S+ 0 0 41 -3,-1.3 58,-1.8 -4,-0.8 2,-0.4 0.278 91.2 116.6-121.0 10.3 25.6 20.5 40.6 21 30 A A E < -b 78 0B 14 -4,-1.0 -19,-0.2 56,-0.2 58,-0.2 -0.687 46.8-164.8 -80.7 129.5 26.1 17.2 38.8 22 31 A C E -b 79 0B 49 56,-3.4 58,-1.5 -2,-0.4 2,-0.2 -0.899 14.7-145.0-127.3 107.3 29.6 17.1 37.4 23 32 A P E +b 80 0B 75 0, 0.0 2,-0.3 0, 0.0 58,-0.2 -0.481 41.2 152.7 -64.6 129.1 30.8 14.6 34.7 24 33 A I - 0 0 22 56,-2.4 2,-0.4 -2,-0.2 5,-0.0 -0.988 49.5-100.7-157.7 159.5 34.4 13.7 35.6 25 34 A Q > - 0 0 128 -2,-0.3 3,-2.5 1,-0.1 4,-0.5 -0.733 33.2-127.2 -85.3 132.0 37.1 11.0 35.3 26 35 A V G > S+ 0 0 17 -2,-0.4 3,-1.3 55,-0.3 4,-0.4 0.814 108.5 66.7 -48.2 -31.0 37.4 9.0 38.5 27 36 A G G 3 S+ 0 0 47 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.811 99.8 47.1 -61.3 -32.3 41.1 9.9 38.3 28 37 A E G X S+ 0 0 94 -3,-2.5 3,-1.2 1,-0.2 -1,-0.3 0.396 85.2 94.0 -90.6 2.8 40.5 13.6 38.9 29 38 A L G X S+ 0 0 5 -3,-1.3 3,-1.7 -4,-0.5 -1,-0.2 0.847 72.9 67.0 -62.1 -34.5 38.2 12.9 41.8 30 39 A A G 3 S+ 0 0 57 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.738 101.2 49.3 -60.0 -22.1 41.2 13.3 44.2 31 40 A N G < S+ 0 0 125 -3,-1.2 -1,-0.3 -4,-0.1 2,-0.2 0.404 97.1 88.2 -99.4 1.9 41.4 17.0 43.3 32 41 A Q S < S- 0 0 82 -3,-1.7 3,-0.1 -4,-0.2 -3,-0.0 -0.544 88.3 -84.9-102.4 166.2 37.7 18.0 43.7 33 42 A E - 0 0 143 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.360 64.3 -89.1 -60.5 142.7 35.6 19.2 46.6 34 43 A P S S+ 0 0 75 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.354 70.1 142.7 -59.4 131.5 34.3 16.2 48.5 35 44 A G - 0 0 1 73,-0.5 75,-0.5 41,-0.2 2,-0.4 -0.508 51.3 -75.5-141.1-148.7 31.0 15.0 47.0 36 45 A V E -c 78 0B 1 41,-1.5 43,-2.6 -2,-0.2 2,-0.3 -0.992 42.7-132.9-127.3 133.5 29.0 11.8 46.3 37 46 A A E -cd 79 111B 0 73,-2.6 75,-1.8 -2,-0.4 2,-0.4 -0.653 12.7-160.8 -94.5 146.8 30.0 9.6 43.4 38 47 A L E -cd 80 112B 2 41,-2.8 43,-2.6 -2,-0.3 2,-0.4 -0.987 9.6-177.0-125.3 128.3 27.7 8.1 40.7 39 48 A I E - d 0 113B 0 73,-2.8 75,-3.0 -2,-0.4 2,-0.4 -0.984 13.0-148.2-129.3 136.8 28.6 5.1 38.6 40 49 A G E -cd 83 114B 0 42,-3.2 44,-2.7 -2,-0.4 2,-0.4 -0.807 4.7-165.4-103.9 144.9 26.7 3.4 35.8 41 50 A F E -c 84 0B 0 73,-2.9 2,-1.7 -2,-0.4 75,-0.5 -0.801 3.8-167.9-130.0 88.9 26.8 -0.3 34.9 42 51 A E E +c 85 0B 21 42,-1.7 44,-2.8 -2,-0.4 2,-0.3 -0.586 42.5 120.7 -79.5 87.2 25.3 -0.9 31.5 43 52 A C + 0 0 1 -2,-1.7 74,-1.8 13,-0.3 73,-0.3 -0.966 26.6 156.1-156.0 134.3 25.1 -4.7 31.6 44 53 A D > + 0 0 7 -2,-0.3 4,-2.0 72,-0.2 5,-0.2 0.091 50.9 109.4-139.6 21.2 22.4 -7.4 31.4 45 54 A A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.865 82.8 52.2 -65.4 -35.5 24.6 -10.3 30.3 46 55 A G H > S+ 0 0 0 2,-0.2 121,-1.9 1,-0.2 4,-1.8 0.837 105.9 54.4 -68.3 -33.2 24.1 -11.8 33.7 47 56 A V H 4>S+ 0 0 1 2,-0.2 5,-3.0 119,-0.2 -2,-0.2 0.923 110.2 46.0 -64.9 -45.5 20.4 -11.4 33.3 48 57 A E H ><5S+ 0 0 126 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.919 110.8 52.6 -63.7 -44.5 20.5 -13.4 30.1 49 58 A R H 3<5S+ 0 0 41 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.7 52.6 -59.3 -35.3 22.7 -16.1 31.6 50 59 A N T 3<5S- 0 0 47 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.103 122.0-108.2 -90.0 22.9 20.2 -16.4 34.5 51 60 A K T < 5S+ 0 0 198 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.733 74.8 135.3 60.2 29.1 17.3 -16.9 31.9 52 61 A G < - 0 0 28 -5,-3.0 2,-0.6 -6,-0.1 -1,-0.2 -0.299 64.9 -83.8 -97.1-176.5 15.8 -13.5 32.5 53 62 A R - 0 0 97 -2,-0.1 3,-0.3 1,-0.0 -5,-0.1 -0.819 47.6-136.0 -93.4 118.6 14.4 -10.9 30.2 54 63 A T + 0 0 53 -2,-0.6 241,-0.1 1,-0.2 -9,-0.1 -0.197 65.0 94.4 -70.8 161.5 17.2 -8.6 28.9 55 64 A G > + 0 0 4 239,-0.1 3,-1.9 240,-0.1 -1,-0.2 0.067 50.3 103.7 144.5 -24.7 17.0 -4.8 28.6 56 65 A A G > + 0 0 3 -3,-0.3 3,-1.4 1,-0.3 -13,-0.3 0.617 64.4 80.9 -62.0 -11.8 18.5 -3.5 31.9 57 66 A K G 3 S+ 0 0 66 1,-0.3 -1,-0.3 -15,-0.2 29,-0.1 0.755 92.7 50.1 -67.0 -20.4 21.7 -2.6 30.0 58 67 A H G <> S+ 0 0 112 -3,-1.9 4,-0.7 1,-0.1 -1,-0.3 0.376 88.9 87.9 -97.5 3.9 20.0 0.6 28.9 59 68 A A H X> + 0 0 0 -3,-1.4 4,-2.3 233,-0.3 3,-0.5 0.890 66.6 72.4 -72.7 -43.1 18.8 1.6 32.3 60 69 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.855 101.1 43.5 -40.5 -53.5 21.8 3.7 33.7 61 70 A S H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.858 112.4 52.4 -65.3 -37.0 21.3 6.7 31.6 62 71 A L H < S+ 0 0 27 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.883 111.5 52.0 -63.4 -37.4 15.2 11.2 35.8 67 76 A L H >< S+ 0 0 3 -4,-2.0 3,-1.9 1,-0.2 -50,-0.4 0.825 93.8 74.0 -67.7 -33.1 17.6 12.1 38.7 68 77 A A H 3< S+ 0 0 4 -4,-1.7 -50,-2.4 1,-0.3 -49,-0.3 0.782 95.6 48.5 -52.8 -35.1 18.7 15.3 36.9 69 78 A N T << S+ 0 0 65 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.438 84.4 111.3 -91.3 3.6 15.5 17.1 37.6 70 79 A L S < S- 0 0 53 -3,-1.9 -53,-2.9 -4,-0.2 -52,-0.2 -0.482 77.1-103.7 -77.2 146.8 15.2 16.4 41.3 71 80 A A B -A 16 0A 45 -55,-0.3 2,-0.5 -2,-0.1 -55,-0.3 -0.388 31.7-148.0 -66.6 146.6 15.6 19.2 43.8 72 81 A W - 0 0 4 -57,-2.9 -57,-0.2 1,-0.1 -1,-0.0 -0.976 15.3-175.1-124.0 119.2 18.9 19.2 45.6 73 82 A H + 0 0 130 -2,-0.5 -1,-0.1 2,-0.0 -57,-0.1 0.008 58.5 79.0-101.6 27.2 19.1 20.5 49.1 74 83 A H S S- 0 0 17 2,-0.2 245,-0.0 -59,-0.0 -2,-0.0 -0.975 70.9-137.3-136.3 148.5 22.8 20.3 49.7 75 84 A P S S+ 0 0 91 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.023 76.1 113.0 -89.3 27.2 25.8 22.4 48.8 76 85 A I - 0 0 17 -41,-0.0 -2,-0.2 1,-0.0 -41,-0.2 -0.843 66.0-128.8-101.8 133.5 27.5 19.1 48.0 77 86 A P - 0 0 26 0, 0.0 -41,-1.5 0, 0.0 2,-0.5 -0.394 9.4-138.4 -80.7 160.4 28.5 18.2 44.4 78 87 A I E -bc 21 36B 3 -58,-1.8 -56,-3.4 -43,-0.2 2,-0.6 -0.983 14.6-149.5-119.5 123.0 27.6 14.9 42.7 79 88 A Y E -bc 22 37B 10 -43,-2.6 -41,-2.8 -2,-0.5 2,-0.9 -0.842 0.6-154.0-100.1 117.9 30.3 13.4 40.5 80 89 A D E -bc 23 38B 20 -58,-1.5 -56,-2.4 -2,-0.6 -41,-0.2 -0.797 11.2-176.8 -90.2 105.0 29.2 11.4 37.5 81 90 A L E - 0 0 15 -43,-2.6 -55,-0.3 -2,-0.9 -1,-0.1 0.360 41.3-123.0 -83.8 4.7 32.0 9.0 36.9 82 91 A G E - 0 0 25 -44,-0.3 -42,-3.2 -57,-0.1 2,-0.4 -0.410 32.6 -56.8 90.7-166.1 30.3 7.6 33.8 83 92 A N E - 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