==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAR-12 4DZD . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YGCH; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.WEI,G.HUANG,Y.WANG,W.GONG . 193 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 33.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 22 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 2 0 3 1 1 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 . 2 0 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 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 55 0, 0.0 68,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.8 -26.3 -10.9 -4.8 2 2 A Y E -AB 51 68A 45 49,-3.2 49,-2.2 66,-0.2 2,-0.5 -0.857 360.0-156.8-110.3 144.8 -30.0 -11.0 -5.8 3 3 A L E +AB 50 67A 39 64,-2.9 64,-3.1 -2,-0.4 2,-0.3 -0.983 21.2 176.7-118.2 126.7 -32.1 -8.3 -7.4 4 4 A S E -AB 49 66A 1 45,-2.5 45,-3.0 -2,-0.5 2,-0.5 -0.957 30.9-133.8-131.1 149.4 -35.9 -8.5 -6.9 5 5 A K E -AB 48 65A 53 60,-2.2 59,-2.4 -2,-0.3 60,-1.3 -0.914 35.2-178.3 -95.8 126.8 -38.9 -6.5 -7.7 6 6 A V E -AB 47 63A 0 41,-2.5 41,-3.3 -2,-0.5 2,-0.5 -0.958 19.0-155.5-131.5 141.2 -41.1 -6.3 -4.6 7 7 A I E -AB 46 62A 28 55,-2.3 55,-2.5 -2,-0.4 2,-0.5 -0.977 9.4-157.4-120.3 121.1 -44.5 -4.6 -4.0 8 8 A I E -AB 45 61A 0 37,-2.8 37,-2.6 -2,-0.5 53,-0.2 -0.851 28.7-107.9-100.8 128.6 -45.4 -3.5 -0.5 9 9 A A > - 0 0 34 51,-2.8 3,-1.5 -2,-0.5 35,-0.2 -0.145 27.0-120.4 -51.7 142.3 -49.1 -3.2 0.4 10 10 A R G > S+ 0 0 85 32,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.897 111.2 54.4 -53.8 -48.7 -50.3 0.4 0.7 11 11 A A G 3 S+ 0 0 51 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.693 114.2 44.2 -61.7 -16.9 -51.5 0.1 4.3 12 12 A W G < S+ 0 0 147 -3,-1.5 -1,-0.3 1,-0.1 10,-0.2 0.203 112.4 49.4-115.3 12.2 -48.0 -1.2 5.2 13 13 A S S < S+ 0 0 3 -3,-2.0 -2,-0.2 -4,-0.2 -1,-0.1 -0.028 73.1 107.6-138.4 31.3 -45.9 1.3 3.3 14 14 A R S S+ 0 0 155 -3,-0.2 2,-0.3 -5,-0.1 -2,-0.1 0.885 76.6 48.7 -79.9 -39.0 -47.4 4.6 4.3 15 15 A D S >> S- 0 0 74 1,-0.1 4,-1.2 131,-0.0 3,-0.9 -0.805 80.9-126.9-104.3 145.5 -44.5 5.7 6.5 16 16 A L H >> S+ 0 0 4 127,-0.6 4,-0.9 -2,-0.3 3,-0.5 0.889 112.1 57.8 -49.3 -44.9 -40.8 5.7 5.6 17 17 A Y H 3> S+ 0 0 164 127,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.867 101.9 56.3 -54.9 -38.0 -40.1 3.7 8.8 18 18 A Q H <> S+ 0 0 47 -3,-0.9 4,-3.0 1,-0.2 5,-0.3 0.825 94.5 65.7 -68.3 -35.2 -42.5 0.9 7.6 19 19 A L H < S+ 0 0 0 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.2 0.869 103.7 61.1 -69.5 -37.7 -38.7 -5.6 3.6 24 24 A W H >< S+ 0 0 157 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.862 95.4 62.7 -56.1 -37.4 -36.8 -7.0 6.6 25 25 A H T 3< S+ 0 0 114 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.538 83.2 79.9 -69.7 -4.6 -39.5 -9.6 7.1 26 26 A L T < S+ 0 0 0 -3,-1.9 30,-2.8 1,-0.2 -1,-0.3 0.509 82.9 67.9 -76.6 -4.2 -38.7 -11.1 3.6 27 27 A F < + 0 0 41 -3,-1.5 -1,-0.2 28,-0.2 30,-0.0 -0.597 51.3 148.5-122.1 73.2 -35.8 -12.9 5.1 28 28 A P 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.687 360.0 360.0 -78.3 -22.3 -37.1 -15.6 7.4 29 29 A N 0 0 156 -3,-0.2 24,-0.0 0, 0.0 27,-0.0 -0.217 360.0 360.0 -72.7 360.0 -34.3 -18.1 6.9 30 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 31 36 A D 0 0 196 0, 0.0 21,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 93.4 -28.4 -6.5 5.4 32 37 A F E -C 51 0A 16 19,-0.2 2,-0.3 20,-0.1 19,-0.2 -0.908 360.0-137.7-141.1 165.4 -30.2 -5.5 2.1 33 38 A L E -C 50 0A 9 17,-2.7 17,-2.9 -2,-0.3 2,-0.3 -0.908 19.0-169.2-124.4 151.5 -30.5 -2.4 0.0 34 39 A F E -C 49 0A 0 148,-0.5 154,-0.4 -2,-0.3 2,-0.4 -0.990 16.6-159.5-144.0 159.6 -33.6 -0.9 -1.7 35 40 A H E -C 48 0A 8 13,-2.3 13,-2.5 -2,-0.3 2,-0.4 -0.967 25.4-130.7-136.7 115.1 -34.7 1.7 -4.2 36 41 A V E +C 47 0A 12 -2,-0.4 11,-0.3 149,-0.4 3,-0.2 -0.536 26.7 176.2 -69.7 119.9 -38.3 2.9 -4.4 37 42 A E E S+ 0 0 61 9,-2.8 2,-0.3 -2,-0.4 10,-0.2 0.795 74.9 14.6 -92.7 -36.5 -39.5 2.7 -8.0 38 43 A K E -C 46 0A 108 8,-1.9 8,-2.4 1,-0.1 -1,-0.3 -0.899 64.4-169.8-143.1 113.3 -43.1 3.8 -7.4 39 44 A R E S+ 0 0 67 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.867 73.0 25.2 -76.9 -38.8 -44.1 5.3 -4.1 40 45 A N E + 0 0 118 5,-0.1 -1,-0.2 6,-0.0 5,-0.2 -0.830 68.3 139.0-137.1 98.7 -47.9 5.4 -4.3 41 46 A T E > -C 44 0A 21 3,-1.3 3,-1.3 -2,-0.4 -31,-0.1 -0.797 64.5 -98.8-122.4 170.3 -50.0 3.0 -6.4 42 47 A P T 3 S+ 0 0 106 0, 0.0 -32,-0.3 0, 0.0 3,-0.1 0.926 126.9 45.0 -51.9 -46.9 -53.3 1.3 -5.6 43 48 A E T 3 S- 0 0 93 1,-0.2 2,-0.3 -34,-0.1 -3,-0.0 0.426 119.9-113.5 -82.5 0.6 -51.4 -1.9 -4.8 44 49 A G E < - C 0 41A 0 -3,-1.3 -3,-1.3 -35,-0.2 2,-0.5 -0.805 59.4 -5.5 114.1-148.0 -48.8 -0.0 -2.8 45 50 A C E -A 8 0A 0 -37,-2.6 -37,-2.8 -2,-0.3 2,-0.5 -0.818 52.7-147.3-100.8 120.5 -45.1 0.8 -3.0 46 51 A H E -AC 7 38A 31 -8,-2.4 -9,-2.8 -2,-0.5 -8,-1.9 -0.763 25.9-179.5 -87.6 124.9 -42.9 -0.8 -5.9 47 52 A V E -AC 6 36A 0 -41,-3.3 -41,-2.5 -2,-0.5 2,-0.5 -0.905 30.5-140.3-127.0 145.2 -39.4 -1.4 -4.8 48 53 A L E -AC 5 35A 18 -13,-2.5 -13,-2.3 -2,-0.3 2,-0.5 -0.952 30.8-161.4 -97.6 129.3 -36.2 -2.8 -6.3 49 54 A L E -AC 4 34A 0 -45,-3.0 -45,-2.5 -2,-0.5 2,-0.5 -0.945 13.6-166.4-121.2 124.3 -34.5 -4.9 -3.6 50 55 A Q E +AC 3 33A 9 -17,-2.9 -17,-2.7 -2,-0.5 2,-0.3 -0.932 25.7 156.8-108.9 127.5 -30.8 -6.0 -3.5 51 56 A S E -AC 2 32A 2 -49,-2.2 -49,-3.2 -2,-0.5 -19,-0.2 -0.987 51.8-129.4-150.3 156.3 -30.0 -8.7 -1.1 52 57 A A S S+ 0 0 72 -21,-0.7 2,-0.3 -2,-0.3 -1,-0.1 0.768 98.7 45.5 -76.3 -25.6 -27.6 -11.5 -0.2 53 58 A Q S S- 0 0 97 -51,-0.1 -51,-0.2 -3,-0.1 -2,-0.0 -0.788 97.1 -99.0-114.9 158.9 -30.4 -14.0 0.2 54 59 A M - 0 0 105 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.620 45.8-120.5 -75.6 130.8 -33.5 -14.7 -2.0 55 60 A P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 -28,-0.2 -0.415 17.1-144.4 -73.7 153.7 -36.5 -12.9 -0.4 56 61 A V - 0 0 64 -30,-2.8 5,-0.1 -2,-0.1 -2,-0.0 -0.975 24.9-114.9-119.2 119.3 -39.6 -14.8 0.7 57 62 A S - 0 0 58 -2,-0.5 5,-0.2 6,-0.1 2,-0.2 -0.078 29.4-165.1 -53.5 147.6 -42.9 -13.2 0.2 58 63 A T - 0 0 46 3,-2.5 5,-0.1 -36,-0.0 -1,-0.1 -0.549 41.7 -89.4-115.0-171.4 -45.1 -12.2 3.2 59 64 A A S S+ 0 0 106 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 0.828 127.9 28.8 -69.0 -31.5 -48.8 -11.2 3.4 60 65 A V S S+ 0 0 30 1,-0.2 -51,-2.8 -38,-0.1 2,-0.6 0.675 117.1 57.5-105.8 -21.7 -47.9 -7.6 2.9 61 66 A A E -B 8 0A 0 -53,-0.2 -3,-2.5 -39,-0.1 2,-0.6 -0.924 68.2-165.3-117.0 109.4 -44.7 -7.7 0.8 62 67 A T E -B 7 0A 67 -55,-2.5 -55,-2.3 -2,-0.6 2,-0.8 -0.835 14.2-144.1-101.3 118.3 -45.0 -9.6 -2.5 63 68 A V E -B 6 0A 27 -2,-0.6 -57,-0.2 -57,-0.2 3,-0.1 -0.715 17.5-176.4 -77.0 109.0 -41.9 -10.7 -4.3 64 69 A I E - 0 0 79 -59,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.856 64.7 -16.9 -77.1 -37.5 -42.9 -10.3 -8.0 65 70 A K E -B 5 0A 123 -60,-1.3 -60,-2.2 2,-0.0 2,-0.4 -0.957 55.9-153.8-166.4 149.7 -39.6 -11.7 -9.4 66 71 A T E -B 4 0A 49 -2,-0.3 2,-0.4 -62,-0.2 -62,-0.2 -0.996 8.8-175.4-131.9 136.3 -36.0 -12.4 -8.4 67 72 A K E -B 3 0A 126 -64,-3.1 -64,-2.9 -2,-0.4 2,-0.3 -0.998 19.6-136.3-130.4 130.9 -32.9 -12.5 -10.5 68 73 A Q E -B 2 0A 111 -2,-0.4 2,-0.5 -66,-0.2 -66,-0.2 -0.660 17.7-146.5 -83.3 140.2 -29.4 -13.5 -9.3 69 74 A V - 0 0 36 -68,-2.9 2,-0.5 -2,-0.3 -2,-0.0 -0.930 16.4-177.5-109.7 125.4 -26.5 -11.4 -10.5 70 75 A E - 0 0 147 -2,-0.5 2,-0.2 2,-0.0 -2,-0.0 -0.990 32.0-127.4-110.2 129.5 -23.0 -12.8 -11.2 71 76 A F - 0 0 63 -2,-0.5 2,-0.2 1,-0.0 -2,-0.0 -0.555 27.2-178.8 -87.1 141.4 -20.7 -10.0 -12.2 72 77 A Q + 0 0 149 -2,-0.2 2,-0.4 2,-0.0 -1,-0.0 -0.691 23.6 162.0-134.3 80.0 -18.5 -9.8 -15.3 73 78 A L - 0 0 33 -2,-0.2 2,-0.3 4,-0.0 94,-0.1 -0.858 16.2-176.1-110.2 134.0 -16.6 -6.5 -15.2 74 79 A Q > - 0 0 110 -2,-0.4 3,-1.6 93,-0.1 90,-0.3 -0.928 38.1 -95.9-120.7 150.8 -13.5 -5.5 -17.0 75 80 A V T 3 S+ 0 0 101 -2,-0.3 90,-0.2 1,-0.2 54,-0.0 -0.309 109.7 29.0 -57.5 143.1 -11.5 -2.3 -16.7 76 81 A G T 3 S+ 0 0 49 88,-2.8 -1,-0.2 1,-0.3 89,-0.1 0.372 84.5 136.3 88.2 -5.7 -12.5 0.3 -19.3 77 82 A V < - 0 0 39 -3,-1.6 87,-2.5 87,-0.1 -1,-0.3 -0.609 48.7-138.3 -76.8 128.4 -16.1 -0.9 -19.6 78 83 A P E -D 163 0B 54 0, 0.0 116,-0.6 0, 0.0 2,-0.3 -0.678 25.9-179.4 -83.7 145.5 -18.7 1.9 -19.7 79 84 A L E -DE 162 193B 10 83,-2.8 83,-2.7 -2,-0.3 2,-0.2 -0.995 30.4-119.9-141.2 145.9 -21.9 1.4 -17.7 80 85 A Y E -DE 161 192B 127 112,-3.2 112,-1.7 -2,-0.3 2,-0.3 -0.588 38.2-165.9 -71.4 149.1 -25.1 3.3 -17.0 81 86 A F E -DE 160 191B 6 79,-2.3 79,-1.9 110,-0.2 2,-0.3 -0.978 17.3-172.4-136.6 152.2 -25.5 3.9 -13.3 82 87 A R E +DE 159 190B 58 108,-1.7 108,-2.6 -2,-0.3 2,-0.3 -0.983 10.5 170.5-138.9 135.7 -28.3 5.0 -11.0 83 88 A L E -DE 158 189B 0 75,-2.3 75,-3.2 -2,-0.3 2,-0.6 -0.891 21.5-158.3-149.9 111.3 -27.9 5.9 -7.3 84 89 A R E +D 157 0B 34 104,-0.6 103,-3.1 -2,-0.3 104,-0.3 -0.840 35.6 173.0 -84.1 121.6 -30.4 7.5 -5.0 85 90 A A E -D 156 0B 0 71,-2.8 71,-2.2 -2,-0.6 94,-0.1 -0.829 41.8-134.8-131.7 167.6 -28.3 9.0 -2.3 86 91 A N - 0 0 13 94,-0.3 2,-0.4 -2,-0.3 69,-0.1 -0.705 30.2-172.6-121.7 72.7 -28.4 11.2 0.8 87 92 A P + 0 0 1 0, 0.0 24,-2.4 0, 0.0 2,-0.3 -0.570 16.4 161.0 -74.2 126.4 -25.5 13.5 0.4 88 93 A I E -G 110 0C 36 -2,-0.4 2,-0.3 22,-0.3 20,-0.1 -0.870 22.0-167.1-137.8 167.7 -24.9 15.6 3.5 89 94 A K E -G 109 0C 80 20,-2.7 20,-3.0 -2,-0.3 2,-0.4 -0.926 25.2-112.2-146.5 172.6 -22.3 17.8 5.2 90 95 A T E +G 108 0C 72 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.932 35.7 170.9-112.7 133.4 -21.8 19.3 8.6 91 96 A I E -G 107 0C 64 16,-2.5 16,-3.5 -2,-0.4 2,-0.2 -0.941 38.7 -98.2-133.9 157.9 -21.9 23.1 9.2 92 97 A L E -G 106 0C 93 -2,-0.3 14,-0.2 14,-0.2 13,-0.1 -0.568 56.6 -91.4 -70.3 139.0 -21.9 25.5 12.1 93 98 A D > - 0 0 12 12,-2.8 3,-1.7 -2,-0.2 -1,-0.1 -0.285 32.7-136.1 -52.2 129.5 -25.4 26.8 12.9 94 99 A N T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.833 104.9 48.2 -61.7 -34.6 -25.9 30.0 10.9 95 100 A Q T 3 S- 0 0 131 2,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.297 110.7-123.4 -89.6 10.1 -27.5 31.9 13.9 96 101 A K < - 0 0 148 -3,-1.7 -2,-0.1 1,-0.2 -3,-0.0 0.736 44.2-179.4 56.5 25.4 -24.6 30.6 16.1 97 102 A R - 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