==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-08 3E3X . COMPND 2 MOLECULE: BIPA; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR B.NOCEK,R.MULLIGAN,E.DUGGAN,S.CLANCY,A.JOACHIMIAK,MIDWEST CE . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 0 3 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 4 4 1 1 2 0 0 1 1 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 1 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 26 A V 0 0 142 0, 0.0 59,-0.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 -46.6 25.5 27.1 -13.7 2 27 A D + 0 0 79 2,-0.1 58,-0.0 41,-0.1 0, 0.0 0.803 360.0 105.3 -66.4 -37.8 26.5 23.6 -14.1 3 28 A E - 0 0 116 1,-0.1 40,-0.1 2,-0.0 41,-0.1 0.018 67.1-134.9 -71.0 134.7 29.9 24.9 -14.8 4 29 A P - 0 0 20 0, 0.0 56,-0.3 0, 0.0 -1,-0.1 -0.369 14.1-169.7 -79.3 164.2 32.7 24.7 -12.2 5 30 A T + 0 0 1 54,-2.6 82,-2.7 1,-0.2 2,-0.3 0.422 68.1 48.9-128.3 -6.3 35.1 27.6 -11.3 6 31 A V E -AB 59 86A 8 53,-2.0 53,-2.2 80,-0.3 2,-0.3 -0.964 61.0-168.0-140.1 144.3 37.8 25.9 -9.2 7 32 A T E +AB 58 85A 11 78,-2.6 78,-2.2 -2,-0.3 2,-0.3 -0.973 11.0 163.3-137.1 153.0 39.9 22.8 -9.7 8 33 A X E -A 57 0A 0 49,-2.0 49,-3.1 -2,-0.3 2,-0.4 -0.951 35.1-110.4-151.7 166.3 42.2 20.5 -7.7 9 34 A T E -A 56 0A 13 -2,-0.3 73,-1.8 47,-0.2 2,-0.4 -0.871 21.8-163.1-104.9 137.1 43.7 17.1 -8.0 10 35 A F E +AC 55 81A 0 45,-2.6 45,-2.9 -2,-0.4 2,-0.3 -0.961 23.5 167.1-110.1 136.3 42.6 14.3 -5.7 11 36 A Q E -AC 54 80A 22 69,-2.5 69,-2.6 -2,-0.4 43,-0.2 -0.972 41.4 -76.5-148.2 162.6 45.0 11.3 -5.6 12 37 A V - 0 0 23 41,-2.0 2,-0.6 -2,-0.3 67,-0.2 -0.310 56.5-108.2 -50.2 132.0 46.0 8.0 -3.8 13 38 A N + 0 0 11 12,-0.3 -1,-0.1 65,-0.3 252,-0.0 -0.658 40.4 174.7 -64.7 117.6 47.9 8.8 -0.6 14 39 A T + 0 0 80 -2,-0.6 -1,-0.1 -3,-0.0 -2,-0.1 0.242 34.0 124.2-110.3 11.8 51.5 7.8 -1.2 15 40 A S S > S- 0 0 8 1,-0.1 3,-1.8 2,-0.1 205,-0.1 -0.231 78.6-106.6 -60.0 163.4 52.9 9.0 2.1 16 41 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.693 122.6 54.7 -59.9 -19.7 54.8 6.6 4.4 17 42 A F T > S+ 0 0 14 2,-0.0 3,-2.2 3,-0.0 4,-0.3 0.358 79.8 136.6 -92.4 3.4 51.8 6.6 6.7 18 43 A A T < + 0 0 40 -3,-1.8 7,-0.1 1,-0.3 249,-0.0 -0.236 68.4 16.9 -60.5 138.1 49.4 5.6 3.9 19 44 A G T 3 S+ 0 0 45 5,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.285 97.0 100.0 89.0 -10.1 46.9 2.9 4.8 20 45 A X S < S+ 0 0 151 -3,-2.2 -2,-0.1 1,-0.1 3,-0.1 0.611 91.8 24.5 -84.5 -9.9 47.3 3.3 8.5 21 46 A E S S+ 0 0 35 -4,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.638 112.5 49.8-131.1 -23.6 44.2 5.4 9.2 22 47 A G - 0 0 14 245,-0.1 -1,-0.2 246,-0.1 55,-0.2 -0.907 57.2-145.4-126.6 154.9 41.5 5.0 6.5 23 48 A X S S+ 0 0 199 53,-0.9 2,-0.7 -2,-0.3 54,-0.2 0.634 86.9 64.5 -92.2 -17.3 39.8 2.0 5.0 24 49 A F B +k 77 0B 71 52,-2.4 54,-2.3 1,-0.1 -1,-0.1 -0.935 57.2 138.7-113.5 104.4 39.3 3.3 1.4 25 50 A V + 0 0 50 -2,-0.7 -12,-0.3 52,-0.2 -1,-0.1 0.511 32.4 99.2-123.5 -11.4 42.7 3.9 -0.1 26 51 A T S > S- 0 0 67 1,-0.1 4,-1.9 -14,-0.1 5,-0.2 -0.427 74.9-117.8 -91.0 158.2 42.8 2.7 -3.8 27 52 A S H > S+ 0 0 32 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.894 117.0 52.4 -55.0 -39.4 42.5 4.7 -6.9 28 53 A R H > S+ 0 0 149 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.878 104.9 54.3 -70.4 -34.5 39.3 2.8 -7.8 29 54 A N H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 113.3 44.6 -57.1 -47.1 37.7 3.5 -4.4 30 55 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.951 114.7 46.8 -65.9 -50.6 38.4 7.2 -5.2 31 56 A L H X S+ 0 0 14 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.913 112.6 49.0 -58.6 -47.2 37.1 7.1 -8.7 32 57 A E H X S+ 0 0 106 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.925 112.1 49.9 -59.1 -43.3 33.9 5.2 -7.8 33 58 A R H X S+ 0 0 17 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.882 111.9 47.1 -63.8 -40.4 33.3 7.7 -5.0 34 59 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.892 112.5 50.2 -67.6 -38.6 33.7 10.6 -7.4 35 60 A E H X S+ 0 0 96 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.908 108.0 52.7 -65.8 -42.8 31.5 8.9 -9.9 36 61 A K H >X S+ 0 0 119 -4,-2.9 3,-0.7 1,-0.2 4,-0.5 0.924 109.7 51.2 -53.6 -42.1 28.8 8.4 -7.2 37 62 A E H >X S+ 0 0 18 -4,-1.8 4,-1.8 1,-0.2 3,-1.2 0.896 103.0 56.7 -68.5 -40.4 29.1 12.1 -6.5 38 63 A L H 3< S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.709 91.4 73.6 -60.0 -26.6 28.6 13.2 -10.1 39 64 A V H << S+ 0 0 124 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.847 121.7 7.9 -53.4 -37.8 25.3 11.3 -10.2 40 65 A H H << S+ 0 0 112 -3,-1.2 2,-0.8 -4,-0.5 -2,-0.2 0.417 110.2 86.4-128.6 -6.0 23.7 14.0 -8.1 41 66 A N >< - 0 0 26 -4,-1.8 3,-1.0 1,-0.1 -1,-0.1 -0.815 52.1-175.6-108.8 98.0 26.3 16.8 -7.8 42 67 A V T 3 S+ 0 0 87 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.1 0.701 76.5 51.0 -76.0 -22.7 25.7 19.0 -10.8 43 68 A A T 3 S+ 0 0 12 -40,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.601 91.8 99.1 -90.6 -7.6 28.6 21.6 -10.4 44 69 A L < - 0 0 2 -3,-1.0 2,-0.4 15,-0.1 15,-0.2 -0.502 49.8-174.2 -80.0 141.9 31.2 18.8 -10.0 45 70 A R E -D 58 0A 84 13,-2.3 13,-2.5 -2,-0.2 2,-0.4 -0.987 3.1-167.9-131.7 144.6 33.4 17.6 -12.8 46 71 A V E -D 57 0A 30 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.985 4.8-176.8-136.3 126.1 35.8 14.7 -12.6 47 72 A E E -D 56 0A 105 9,-2.7 9,-2.4 -2,-0.4 2,-0.1 -0.950 21.5-132.7-121.3 137.7 38.5 14.0 -15.2 48 73 A Q E -D 55 0A 137 -2,-0.4 2,-0.2 7,-0.2 7,-0.2 -0.466 26.7-154.3 -73.7 164.0 40.8 11.1 -15.2 49 74 A T - 0 0 47 5,-0.8 -1,-0.1 2,-0.5 5,-0.1 -0.602 36.0 -87.6-125.5-173.9 44.5 11.9 -15.9 50 75 A D S S+ 0 0 161 -2,-0.2 -2,-0.0 1,-0.1 3,-0.0 0.605 114.3 71.9 -74.0 -13.0 47.5 10.1 -17.3 51 76 A D S > S- 0 0 50 3,-0.2 3,-1.9 1,-0.1 -2,-0.5 -0.941 76.8-149.6-101.1 121.4 48.2 8.8 -13.8 52 77 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.704 97.9 55.7 -60.7 -17.3 45.6 6.2 -12.8 53 78 A D T 3 S+ 0 0 61 -41,-0.1 -41,-2.0 -42,-0.1 2,-0.4 0.368 100.4 68.4 -91.7 1.7 46.1 7.3 -9.2 54 79 A K E < -A 11 0A 69 -3,-1.9 -5,-0.8 -43,-0.2 2,-0.4 -0.974 56.3-173.6-136.0 136.2 45.2 11.0 -9.8 55 80 A F E -AD 10 48A 5 -45,-2.9 -45,-2.6 -2,-0.4 2,-0.6 -0.978 23.6-132.9-133.3 137.1 42.0 12.8 -10.8 56 81 A R E -AD 9 47A 80 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.5 -0.861 29.3-171.2 -90.5 117.7 41.2 16.4 -11.7 57 82 A V E -AD 8 46A 0 -49,-3.1 -49,-2.0 -2,-0.6 2,-0.3 -0.954 3.8-175.9-118.7 124.0 38.2 17.4 -9.6 58 83 A S E +AD 7 45A 4 -13,-2.5 -13,-2.3 -2,-0.5 2,-0.3 -0.876 6.5 169.2-123.2 150.3 36.4 20.8 -10.3 59 84 A G E -A 6 0A 0 -53,-2.2 -54,-2.6 -2,-0.3 -53,-2.0 -0.923 50.1 -84.8-152.1 177.0 33.5 22.3 -8.5 60 85 A R S S- 0 0 62 -2,-0.3 2,-0.3 -56,-0.3 108,-0.1 0.803 102.4 -27.7 -61.5 -34.0 31.5 25.5 -8.1 61 86 A G S > S- 0 0 14 -55,-0.1 4,-1.2 -56,-0.1 -55,-0.1 -0.925 77.2 -79.7-165.6-179.8 34.0 27.0 -5.6 62 87 A E H > S+ 0 0 32 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.880 123.9 55.6 -61.1 -41.9 36.5 25.8 -2.9 63 88 A L H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.898 101.5 57.6 -63.5 -38.9 33.8 25.1 -0.3 64 89 A H H > S+ 0 0 42 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.914 112.9 41.4 -51.7 -45.8 32.0 22.7 -2.7 65 90 A L H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.912 112.4 51.7 -75.6 -40.0 35.2 20.7 -2.9 66 91 A S H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.847 107.4 54.7 -68.8 -31.0 36.2 20.8 0.7 67 92 A I H X S+ 0 0 87 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.888 109.2 47.9 -61.5 -45.8 32.7 19.6 1.7 68 93 A L H X S+ 0 0 2 -4,-1.2 4,-2.3 -5,-0.3 -2,-0.2 0.918 111.4 50.1 -60.5 -47.7 33.2 16.6 -0.6 69 94 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.920 110.8 49.2 -61.1 -41.7 36.6 15.9 0.9 70 95 A E H X S+ 0 0 41 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.907 109.9 50.9 -62.9 -42.0 35.3 16.1 4.4 71 96 A N H X S+ 0 0 62 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.936 111.7 48.8 -59.4 -45.4 32.4 13.7 3.6 72 97 A X H X>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.6 0.918 109.1 51.9 -62.6 -44.8 35.0 11.3 2.1 73 98 A R H ><5S+ 0 0 31 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.929 110.5 49.7 -54.6 -45.8 37.2 11.5 5.1 74 99 A R H 3<5S+ 0 0 188 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 105.7 55.9 -68.2 -26.9 34.2 10.7 7.3 75 100 A E H 3<5S- 0 0 61 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.522 130.7 -90.9 -79.3 -9.5 33.3 7.7 5.2 76 101 A G T <<5S+ 0 0 6 -3,-1.4 -52,-2.4 -4,-0.6 -53,-0.9 0.519 74.3 148.6 110.8 11.8 36.8 6.2 5.7 77 102 A F B < -k 24 0B 8 -5,-2.5 2,-0.4 -54,-0.2 -1,-0.3 -0.476 31.1-160.6 -79.3 144.7 38.9 7.6 2.8 78 103 A E + 0 0 1 -54,-2.3 -65,-0.3 189,-0.2 2,-0.3 -0.977 32.3 139.8-107.6 137.1 42.6 8.4 2.6 79 104 A L E - E 0 266A 0 187,-2.5 187,-3.2 -2,-0.4 2,-0.4 -0.978 42.3-125.0-159.5 173.5 43.7 10.7 -0.1 80 105 A A E -CE 11 265A 1 -69,-2.6 -69,-2.5 -2,-0.3 2,-0.4 -0.982 22.9-163.8-125.5 144.8 45.9 13.6 -1.0 81 106 A V E -CE 10 264A 0 183,-2.4 183,-2.7 -2,-0.4 -71,-0.2 -0.959 10.2-139.1-130.8 143.6 44.8 16.9 -2.6 82 107 A S - 0 0 5 -73,-1.8 181,-0.1 -2,-0.4 178,-0.1 -0.360 45.8 -71.8 -90.7 170.6 46.6 19.8 -4.3 83 108 A R - 0 0 53 179,-0.4 -1,-0.2 176,-0.3 -74,-0.1 -0.379 52.1-108.5 -64.8 142.1 45.9 23.5 -3.9 84 109 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -76,-0.2 -0.429 38.6-173.4 -66.4 136.3 42.7 24.8 -5.4 85 110 A E E -B 7 0A 90 -78,-2.2 -78,-2.6 -2,-0.1 2,-0.0 -0.999 26.7-110.0-131.4 147.8 43.1 27.0 -8.4 86 111 A V E -B 6 0A 19 -2,-0.4 2,-0.6 -80,-0.2 -80,-0.3 -0.340 34.5-114.1 -73.0 146.5 40.6 29.1 -10.2 87 112 A I - 0 0 41 -82,-2.7 2,-0.4 -2,-0.0 -1,-0.1 -0.766 29.3-146.3 -80.0 123.3 39.7 27.9 -13.7 88 113 A I - 0 0 76 -2,-0.6 2,-0.3 9,-0.1 9,-0.2 -0.698 16.4-168.6 -93.7 135.4 40.8 30.4 -16.3 89 114 A X E -L 96 0C 96 7,-2.4 7,-3.3 -2,-0.4 2,-0.4 -0.832 11.3-142.2-118.9 160.8 38.7 30.8 -19.4 90 115 A E E +L 95 0C 115 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.979 16.6 178.5-124.9 137.2 39.3 32.6 -22.7 91 116 A E E > S-L 94 0C 99 3,-2.2 3,-1.9 -2,-0.4 -2,-0.0 -0.932 73.6 -21.8-140.0 116.9 36.8 34.6 -24.7 92 117 A D T 3 S- 0 0 157 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.881 128.8 -48.8 51.8 40.9 37.6 36.4 -27.9 93 118 A G T 3 S+ 0 0 63 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.350 113.6 119.6 84.8 -3.4 41.3 36.4 -26.9 94 119 A Q E < -L 91 0C 88 -3,-1.9 -3,-2.2 79,-0.0 2,-0.3 -0.829 60.2-134.8 -96.9 126.1 40.6 37.7 -23.4 95 120 A L E -L 90 0C 96 -2,-0.5 79,-2.0 -5,-0.2 2,-0.3 -0.644 29.8-167.2 -81.3 134.1 41.7 35.7 -20.5 96 121 A X E -LM 89 173C 18 -7,-3.3 -7,-2.4 -2,-0.3 75,-0.1 -0.887 14.9-166.0-132.0 147.3 39.0 35.5 -17.8 97 122 A E E - 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