==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, BIOSYNTHETIC PROTEIN 06-MAY-08 3D1T . COMPND 2 MOLECULE: UPF0343 PROTEIN NGO0387; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR B.SANKARAN,M.A.SWAIRJO . 486 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 36.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 4 0.8 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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0 2 0 0 1 3 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 0 2 3 1 0 4 0 0 2 2 0 2 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 0 0 0 0 0 0 0 0 0 0 0 0 1 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 14 A R 0 0 243 0, 0.0 454,-0.0 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 142.9 50.0 36.2 26.0 2 15 A N - 0 0 69 453,-0.0 40,-0.1 1,-0.0 449,-0.1 0.229 360.0-153.4-104.2 -5.9 48.7 35.0 22.8 3 16 A L - 0 0 38 38,-0.1 2,-0.1 1,-0.1 448,-0.1 0.840 19.8-118.7 39.0 114.2 44.9 34.9 22.3 4 17 A P - 0 0 49 0, 0.0 2,-0.6 0, 0.0 36,-0.1 -0.464 24.7-129.1 -68.1 151.5 43.3 32.5 19.9 5 18 A I E -A 38 0A 0 33,-2.5 33,-2.5 1,-0.1 480,-0.2 -0.943 7.0-147.3-105.7 119.8 41.3 34.1 17.0 6 19 A N E S+ 0 0 51 478,-0.6 2,-0.3 -2,-0.6 479,-0.2 0.908 80.7 1.1 -49.0 -49.7 37.8 32.8 16.7 7 20 A Q E + B 0 484A 12 477,-1.5 477,-2.1 30,-0.1 2,-0.4 -0.985 64.6 169.2-146.0 132.8 37.7 33.2 12.9 8 21 A V E +AB 36 483A 0 28,-1.9 28,-2.7 -2,-0.3 2,-0.3 -0.996 35.8 77.4-140.6 143.6 40.2 34.3 10.4 9 22 A G E S-AB 35 482A 0 473,-2.5 473,-2.6 -2,-0.4 2,-0.3 -0.908 74.4 -30.6 165.2-131.6 40.1 34.1 6.6 10 23 A I E -AB 34 481A 0 24,-2.8 24,-2.6 -2,-0.3 2,-0.3 -0.859 41.0-165.8-125.0 153.1 38.4 35.9 3.8 11 24 A K E + B 0 480A 40 469,-2.3 469,-2.3 -2,-0.3 22,-0.2 -0.991 62.4 18.8-140.2 149.3 35.2 37.8 3.2 12 25 A D E + 0 0 65 -2,-0.3 2,-0.7 20,-0.3 21,-0.2 0.831 65.0 163.2 65.0 38.2 33.1 39.1 0.3 13 26 A L E -A 32 0A 20 19,-2.0 19,-3.1 466,-0.1 2,-0.4 -0.786 32.1-142.3 -76.9 118.1 34.7 36.9 -2.3 14 27 A R E +A 31 0A 162 -2,-0.7 17,-0.2 464,-0.3 464,-0.1 -0.720 31.5 166.5 -83.2 136.4 32.3 37.1 -5.2 15 28 A F E -A 30 0A 36 15,-2.4 15,-2.9 -2,-0.4 2,-0.2 -0.969 38.2-115.3-157.2 133.2 32.0 33.8 -7.0 16 29 A P E -A 29 0A 94 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.474 41.5-178.7 -63.8 133.1 29.7 32.1 -9.5 17 30 A I E -A 28 0A 25 11,-2.5 11,-2.4 -2,-0.2 2,-0.5 -0.952 27.1-140.3-134.3 160.7 27.9 29.1 -8.1 18 31 A T E -A 27 0A 51 41,-0.3 43,-3.2 -2,-0.3 2,-0.4 -0.970 25.1-159.9-115.7 130.3 25.4 26.4 -9.2 19 32 A L E -Ac 26 61A 4 7,-3.5 7,-2.7 -2,-0.5 2,-0.5 -0.920 9.9-162.5-121.4 135.3 22.8 25.5 -6.7 20 33 A K E +A 25 0A 115 41,-2.8 43,-0.3 -2,-0.4 5,-0.2 -0.960 19.9 163.0-116.6 117.6 20.7 22.4 -6.3 21 34 A T E > -A 24 0A 24 3,-3.3 3,-2.1 -2,-0.5 142,-0.0 -0.708 56.1 -85.5-117.9 177.2 17.5 22.5 -4.2 22 35 A A T 3 S+ 0 0 84 1,-0.3 3,-0.1 -2,-0.2 -1,-0.0 0.858 127.8 49.1 -45.8 -41.9 14.4 20.3 -4.0 23 36 A E T 3 S- 0 0 114 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.350 123.8 -80.5 -91.0 8.5 12.8 22.1 -6.8 24 37 A G E < -A 21 0A 33 -3,-2.1 -3,-3.3 2,-0.0 2,-0.4 -0.824 53.5 -52.7 130.5-168.4 15.8 22.0 -9.2 25 38 A T E +A 20 0A 85 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.864 44.8 173.0-115.4 142.4 19.1 23.5 -10.1 26 39 A Q E -A 19 0A 40 -7,-2.7 -7,-3.5 -2,-0.4 2,-0.5 -0.982 28.5-123.5-145.8 162.9 20.0 27.1 -10.9 27 40 A S E +A 18 0A 99 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.909 40.9 152.9-109.1 122.2 23.0 29.3 -11.5 28 41 A T E -A 17 0A 15 -11,-2.4 -11,-2.5 -2,-0.5 2,-0.5 -0.729 42.4-106.2-135.4-175.2 23.5 32.3 -9.3 29 42 A V E -A 16 0A 79 -13,-0.2 2,-0.2 -2,-0.2 -15,-0.0 -0.984 36.5-165.7-122.6 123.6 26.3 34.6 -8.0 30 43 A A E -A 15 0A 1 -15,-2.9 -15,-2.4 -2,-0.5 2,-0.5 -0.609 20.9-141.2-102.9 159.2 27.4 34.2 -4.4 31 44 A R E -AD 14 87A 109 56,-2.2 56,-2.5 -17,-0.2 2,-0.4 -1.000 29.4-155.0-112.2 127.4 29.4 36.2 -1.9 32 45 A L E -AD 13 86A 4 -19,-3.1 -19,-2.0 -2,-0.5 2,-0.4 -0.849 18.0-173.2-108.1 133.0 31.6 33.9 0.2 33 46 A T E + D 0 85A 31 52,-2.7 52,-3.4 -2,-0.4 2,-0.4 -0.995 15.4 175.8-115.4 126.6 33.0 34.4 3.7 34 47 A X E +AD 10 84A 0 -24,-2.6 -24,-2.8 -2,-0.4 2,-0.3 -0.983 6.6 156.5-140.8 125.5 35.4 31.6 4.8 35 48 A T E -AD 9 83A 6 48,-2.4 48,-2.0 -2,-0.4 2,-0.3 -0.924 20.4-156.4-143.9 159.3 37.3 31.5 8.0 36 49 A V E -AD 8 82A 2 -28,-2.7 -28,-1.9 -2,-0.3 46,-0.3 -0.960 33.1 -93.6-136.5 162.5 39.0 29.1 10.5 37 50 A Y E - 0 0 55 44,-2.2 43,-0.3 -2,-0.3 44,-0.2 -0.529 33.8-151.2 -70.7 134.4 40.0 29.1 14.1 38 51 A L E -A 5 0A 1 -33,-2.5 -33,-2.5 -2,-0.2 7,-0.1 -0.958 15.7-130.0-114.3 112.5 43.5 30.2 14.8 39 52 A P > - 0 0 48 0, 0.0 3,-1.6 0, 0.0 -34,-0.0 -0.148 30.7-100.4 -52.0 151.3 45.2 28.7 17.9 40 53 A A T 3 S+ 0 0 36 1,-0.3 -2,-0.0 -36,-0.1 0, 0.0 0.812 117.7 39.1 -46.4 -42.8 46.9 31.0 20.4 41 54 A E T 3 S+ 0 0 170 -40,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.325 88.4 98.1-106.0 12.5 50.4 30.4 19.2 42 55 A Q < - 0 0 63 -3,-1.6 3,-0.1 1,-0.1 -4,-0.0 -0.853 61.6-154.4 -89.7 132.4 50.0 30.2 15.5 43 56 A K - 0 0 134 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.813 64.3 -8.4 -79.2 -31.5 50.8 33.6 14.0 44 57 A G - 0 0 19 403,-0.1 -1,-0.2 402,-0.0 2,-0.2 -0.967 59.2-120.2-159.0 165.6 48.7 33.5 10.9 45 58 A T - 0 0 18 -2,-0.3 2,-0.7 -3,-0.1 -36,-0.1 -0.408 40.8 -98.6-100.8-174.2 46.5 31.4 8.6 46 59 A H >> - 0 0 74 1,-0.2 3,-1.1 -2,-0.2 4,-0.5 -0.844 36.1-172.3-112.3 96.3 47.1 30.6 4.9 47 60 A X H >> S+ 0 0 43 -2,-0.7 3,-0.8 1,-0.3 4,-0.7 0.793 76.0 58.6 -63.3 -36.7 44.9 33.1 3.0 48 61 A S H 3> S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.722 92.4 69.0 -69.4 -23.7 45.4 31.7 -0.5 49 62 A R H <> S+ 0 0 77 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.860 91.7 60.2 -62.0 -35.7 44.0 28.3 0.4 50 63 A F H < S+ 0 0 6 -4,-1.4 3,-0.6 1,-0.2 -2,-0.2 0.896 111.3 52.0 -65.1 -44.4 36.8 27.5 -4.3 55 68 A E H 3< S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.845 110.3 49.7 -62.1 -32.1 38.6 27.4 -7.6 56 69 A Q H 3< S+ 0 0 157 -4,-1.8 2,-0.9 -5,-0.2 -1,-0.2 0.633 95.4 79.2 -86.1 -14.6 39.1 23.7 -7.4 57 70 A H << + 0 0 27 -4,-0.7 -1,-0.1 -3,-0.6 -4,-0.0 -0.801 42.3 158.7-101.1 97.0 35.5 22.9 -6.5 58 71 A T + 0 0 137 -2,-0.9 2,-0.3 2,-0.1 -1,-0.1 -0.190 38.3 122.6-106.7 38.9 33.3 23.0 -9.6 59 72 A E S S- 0 0 103 1,-0.1 -41,-0.3 6,-0.1 2,-0.2 -0.702 73.1 -92.1 -98.6 154.8 30.6 20.8 -8.0 60 73 A V - 0 0 60 -2,-0.3 2,-0.2 -43,-0.1 -41,-0.2 -0.440 42.3-119.8 -65.4 128.2 27.0 21.8 -7.6 61 74 A L B +c 19 0A 9 -43,-3.2 -41,-2.8 -2,-0.2 2,-0.3 -0.532 51.2 141.8 -73.2 138.3 26.3 23.4 -4.3 62 75 A D > - 0 0 49 -2,-0.2 4,-2.0 -43,-0.2 5,-0.3 -0.935 65.1 -84.2-168.2 163.7 23.7 21.5 -2.1 63 76 A F H > S+ 0 0 51 -43,-0.3 4,-1.4 -2,-0.3 5,-0.1 0.878 128.1 43.2 -52.2 -44.8 23.3 20.8 1.6 64 77 A A H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 113.6 52.9 -68.6 -41.1 25.6 17.7 1.6 65 78 A Q H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.771 105.2 53.4 -66.5 -28.8 28.2 19.5 -0.6 66 79 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.866 108.8 51.2 -73.9 -35.8 28.3 22.5 1.8 67 80 A H H X S+ 0 0 72 -4,-1.4 4,-1.8 -5,-0.3 -2,-0.2 0.937 112.0 45.6 -61.9 -47.4 29.1 20.1 4.6 68 81 A R H X S+ 0 0 96 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.910 110.4 54.4 -68.6 -38.9 31.8 18.5 2.6 69 82 A L H X S+ 0 0 3 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.891 109.1 48.4 -55.6 -43.1 33.2 21.9 1.5 70 83 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.873 113.4 45.7 -69.8 -37.5 33.5 23.0 5.2 71 84 A A H X S+ 0 0 31 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.923 111.9 51.2 -70.3 -44.4 35.2 19.8 6.3 72 85 A E H X S+ 0 0 68 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.811 110.5 51.9 -62.4 -30.5 37.6 19.9 3.4 73 86 A X H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 -2,-0.2 0.932 107.7 47.1 -73.6 -49.2 38.5 23.5 4.3 74 87 A V H <>S+ 0 0 15 -4,-2.0 5,-3.2 1,-0.2 -2,-0.2 0.872 116.0 48.4 -61.2 -34.0 39.3 23.0 7.9 75 88 A A H ><5S+ 0 0 65 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.905 111.9 48.3 -70.5 -42.7 41.4 20.0 6.8 76 89 A L H 3<5S+ 0 0 67 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.864 114.4 44.3 -65.7 -40.6 43.2 22.0 4.1 77 90 A L T 3<5S- 0 0 1 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.381 111.9-122.3 -86.1 5.4 43.9 25.0 6.4 78 91 A D T < 5 + 0 0 118 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.952 62.7 141.7 55.4 56.7 45.0 22.5 9.1 79 92 A S < - 0 0 25 -5,-3.2 -1,-0.2 -6,-0.1 -41,-0.1 -0.913 61.1-133.2-133.2 160.9 42.6 23.8 11.7 80 93 A R S S+ 0 0 102 -2,-0.3 37,-1.8 -43,-0.3 38,-0.4 0.677 88.3 3.0 -79.3 -21.5 40.2 22.6 14.5 81 94 A A E + E 0 116A 5 -44,-0.2 -44,-2.2 35,-0.2 2,-0.3 -0.980 63.0 155.5-162.6 163.0 37.2 24.6 13.4 82 95 A G E -DE 36 115A 0 33,-1.8 33,-2.7 -46,-0.3 2,-0.4 -0.979 24.6-125.1 177.3 173.1 35.8 27.0 10.8 83 96 A K E -DE 35 114A 63 -48,-2.0 -48,-2.4 -2,-0.3 2,-0.5 -0.999 5.2-164.5-140.3 138.2 32.9 28.5 8.9 84 97 A I E -DE 34 113A 0 29,-2.6 29,-2.4 -2,-0.4 2,-0.5 -0.996 13.0-174.3-117.1 124.2 31.8 28.9 5.3 85 98 A S E -DE 33 112A 24 -52,-3.4 -52,-2.7 -2,-0.5 2,-0.5 -0.978 0.7-172.4-118.1 123.2 29.0 31.4 4.7 86 99 A V E -DE 32 111A 3 25,-2.9 25,-2.6 -2,-0.5 2,-0.4 -0.969 1.7-171.9-119.4 122.8 27.6 31.7 1.2 87 100 A S E +DE 31 110A 39 -56,-2.5 -56,-2.2 -2,-0.5 23,-0.2 -0.890 18.4 141.8-114.4 140.2 25.1 34.5 0.3 88 101 A F E - E 0 109A 7 21,-2.6 21,-2.9 -2,-0.4 2,-0.4 -0.997 52.0 -88.7-169.4 157.8 23.2 34.9 -3.0 89 102 A P E - E 0 108A 45 0, 0.0 2,-0.5 0, 0.0 19,-0.2 -0.671 41.0-157.1 -76.0 130.7 20.0 35.8 -4.8 90 103 A F E - E 0 107A 3 17,-3.8 17,-2.6 -2,-0.4 2,-0.3 -0.960 4.2-153.9-114.6 126.5 17.7 32.7 -5.0 91 104 A F E - E 0 106A 80 -2,-0.5 2,-0.4 15,-0.2 15,-0.2 -0.761 11.4-176.5-104.5 144.5 15.1 32.6 -7.8 92 105 A R E - E 0 105A 28 13,-2.2 13,-2.0 -2,-0.3 2,-0.3 -0.986 26.5-123.1-142.8 127.9 11.8 30.6 -7.7 93 106 A K E - E 0 104A 104 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.534 35.0-173.2 -68.5 128.4 9.2 30.2 -10.4 94 107 A K E - E 0 103A 14 9,-3.4 9,-2.2 -2,-0.3 2,-0.4 -0.834 18.0-132.5-120.8 162.5 5.7 31.4 -9.2 95 108 A T E - E 0 102A 73 -2,-0.3 7,-0.2 7,-0.2 6,-0.2 -0.967 25.5-115.5-119.9 127.5 2.2 31.2 -10.7 96 109 A A > - 0 0 3 5,-2.5 4,-1.1 -2,-0.4 87,-0.1 -0.324 28.9-122.5 -61.3 138.6 -0.2 34.2 -10.8 97 110 A P T 4 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 86,-0.0 0.670 98.4 14.1 -64.6 -23.9 -3.3 33.5 -8.6 98 111 A V T 4 S+ 0 0 79 3,-0.1 -2,-0.0 86,-0.1 85,-0.0 0.740 132.1 38.2-113.3 -55.5 -6.0 33.9 -11.3 99 112 A S T 4 S- 0 0 50 85,-0.1 3,-0.1 1,-0.1 84,-0.0 0.724 90.6-136.8 -71.8 -24.1 -4.4 33.9 -14.8 100 113 A G < + 0 0 32 -4,-1.1 -1,-0.1 1,-0.3 2,-0.1 0.403 45.9 157.1 79.8 -2.4 -1.8 31.2 -13.9 101 114 A I - 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