==== 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 25-MAR-97 2PTH . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.SCHMITT,Y.MECHULAM,M.FROMANT,P.PLATEAU,S.BLANQUET . 193 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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-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 . 11 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 0 0 0 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 102 0, 0.0 2,-0.5 0, 0.0 175,-0.0 0.000 360.0 360.0 360.0 167.7 59.8 29.4 67.2 2 2 A I + 0 0 3 1,-0.1 86,-0.2 86,-0.0 3,-0.1 -0.855 360.0 169.5-100.5 127.9 57.5 31.9 65.4 3 3 A K + 0 0 84 84,-2.8 56,-2.6 -2,-0.5 2,-0.4 0.634 67.9 36.0-107.7 -20.9 57.2 35.4 66.8 4 4 A L E -ab 59 88A 0 83,-1.7 85,-2.6 54,-0.2 2,-0.5 -0.998 57.7-165.4-140.7 132.0 55.3 37.2 64.0 5 5 A I E -ab 60 89A 0 54,-2.6 56,-2.2 -2,-0.4 2,-0.4 -0.982 14.0-166.0-117.5 124.3 52.6 36.1 61.6 6 6 A V E -ab 61 90A 0 83,-3.0 85,-3.5 -2,-0.5 2,-0.5 -0.916 8.7-161.4-113.8 135.7 52.0 38.3 58.5 7 7 A G E - b 0 91A 0 54,-2.5 85,-0.2 -2,-0.4 17,-0.1 -0.964 20.1-136.7-118.6 114.1 49.0 38.1 56.2 8 8 A L + 0 0 0 83,-2.1 16,-1.4 -2,-0.5 15,-0.4 -0.398 41.0 131.1 -72.4 144.0 49.5 39.8 52.8 9 9 A A - 0 0 3 14,-0.2 57,-0.3 -2,-0.1 12,-0.1 -0.971 53.3-105.6-172.2 174.9 46.7 42.0 51.3 10 10 A N - 0 0 13 -2,-0.3 2,-0.1 56,-0.2 5,-0.1 -0.927 48.2-112.1-113.2 143.0 45.7 45.2 49.7 11 11 A P + 0 0 29 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.409 67.2 41.4 -81.5 156.8 43.8 47.6 52.0 12 12 A G S >> S- 0 0 44 1,-0.1 3,-1.6 2,-0.1 4,-0.9 0.124 89.3 -80.0 96.0 153.4 40.1 48.7 51.8 13 13 A A T 34 S+ 0 0 97 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.778 119.7 72.8 -58.5 -27.5 36.7 47.2 51.1 14 14 A E T 34 S+ 0 0 159 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.832 111.9 25.6 -56.9 -34.2 37.5 47.4 47.3 15 15 A Y T X4 S+ 0 0 49 -3,-1.6 3,-1.8 -4,-0.2 -1,-0.2 0.463 91.0 106.2-111.5 -2.0 40.0 44.4 47.7 16 16 A A T 3< S+ 0 0 52 -4,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.749 87.4 35.2 -50.6 -38.9 38.7 42.6 50.8 17 17 A A T 3 S+ 0 0 42 -4,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.267 93.0 115.2-101.7 8.7 37.2 39.6 49.1 18 18 A T S X S- 0 0 12 -3,-1.8 3,-1.9 134,-0.2 134,-0.2 -0.487 75.4-116.8 -81.8 156.0 39.8 39.2 46.3 19 19 A R G > S+ 0 0 20 132,-2.3 3,-1.9 129,-0.4 131,-0.2 0.811 110.4 66.6 -56.5 -36.2 42.1 36.2 46.0 20 20 A H G 3 S+ 0 0 25 129,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.579 94.8 60.6 -65.1 -10.1 45.3 38.4 46.6 21 21 A N G X> + 0 0 11 -3,-1.9 4,-1.7 128,-0.2 3,-0.5 0.224 67.7 112.7 -99.2 12.1 44.0 38.9 50.2 22 22 A A H <> S+ 0 0 0 -3,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.864 73.6 56.2 -53.6 -39.4 44.1 35.2 51.1 23 23 A G H 3> S+ 0 0 0 -15,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.903 106.1 50.3 -59.9 -42.4 46.9 35.7 53.6 24 24 A A H <> S+ 0 0 5 -16,-1.4 4,-2.9 -3,-0.5 -1,-0.2 0.850 103.2 60.0 -64.5 -35.7 44.8 38.4 55.5 25 25 A W H X S+ 0 0 41 -4,-1.7 4,-2.0 -17,-0.2 -1,-0.2 0.906 105.8 49.6 -58.4 -40.8 41.9 35.9 55.6 26 26 A F H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.949 112.2 45.2 -63.0 -50.3 44.1 33.6 57.6 27 27 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.897 111.0 54.5 -62.7 -38.2 45.3 36.2 60.0 28 28 A D H X S+ 0 0 83 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.899 106.0 53.1 -60.7 -42.7 41.7 37.5 60.5 29 29 A L H X S+ 0 0 34 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.925 108.9 48.5 -59.5 -46.7 40.6 33.9 61.4 30 30 A L H X S+ 0 0 10 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.936 114.3 45.6 -59.3 -47.2 43.3 33.7 64.1 31 31 A A H X>S+ 0 0 8 -4,-2.4 5,-2.3 2,-0.2 4,-0.9 0.911 112.0 52.0 -63.4 -42.0 42.4 37.1 65.6 32 32 A E H ><5S+ 0 0 114 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.954 108.6 49.4 -60.8 -50.2 38.6 36.3 65.5 33 33 A R H 3<5S+ 0 0 111 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.790 116.7 41.6 -61.2 -29.6 39.0 33.0 67.3 34 34 A L H 3<5S- 0 0 74 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.510 106.7-126.8 -94.9 -3.7 41.1 34.5 70.0 35 35 A R T <<5 + 0 0 182 -3,-1.2 -3,-0.2 -4,-0.9 -4,-0.1 0.857 64.4 139.0 58.7 38.1 38.9 37.6 70.2 36 36 A A < - 0 0 19 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.733 44.8-146.6-116.2 83.9 42.0 39.8 69.7 37 37 A P - 0 0 107 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.013 10.0-122.8 -51.7 141.8 41.1 42.6 67.3 38 38 A L - 0 0 40 11,-0.1 2,-0.4 9,-0.1 11,-0.2 -0.721 27.8-169.4 -87.7 137.3 43.5 44.0 64.8 39 39 A R E -C 48 0A 160 9,-2.3 9,-2.6 -2,-0.4 2,-0.3 -0.989 25.7-113.6-130.4 134.9 44.1 47.8 65.1 40 40 A E E -C 47 0A 99 -2,-0.4 2,-0.5 7,-0.3 7,-0.3 -0.519 28.4-168.0 -72.0 129.3 46.1 49.9 62.5 41 41 A E E >>> -C 46 0A 59 5,-2.7 3,-1.5 -2,-0.3 5,-1.2 -0.973 14.7-152.5-119.7 115.4 49.3 51.3 63.9 42 42 A A G >45S+ 0 0 83 -2,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.874 94.0 62.9 -49.5 -45.5 50.9 54.0 61.7 43 43 A K G 345S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.757 112.1 35.8 -53.0 -31.6 54.4 53.1 63.0 44 44 A F G <45S- 0 0 7 -3,-1.5 -1,-0.3 2,-0.3 33,-0.2 0.321 104.5-126.0-108.1 4.6 54.1 49.6 61.6 45 45 A F T <<5S+ 0 0 74 -3,-1.6 19,-2.6 -4,-0.5 20,-0.4 0.846 78.5 43.3 53.3 41.5 52.2 50.5 58.4 46 46 A G E S- D 0 56A 6 3,-2.8 3,-2.4 -2,-0.6 -2,-0.0 -0.991 71.5 -13.0-128.7 120.9 49.0 30.8 70.6 54 54 A G T 3 S- 0 0 27 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.802 129.2 -57.4 59.9 28.9 49.9 27.4 72.0 55 55 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 122,-0.0 2,-0.3 0.283 115.4 117.1 84.8 -8.4 51.0 29.2 75.1 56 56 A E E < S- D 0 53A 91 -3,-2.4 -3,-2.8 1,-0.0 2,-0.6 -0.659 70.9-113.5 -98.4 152.1 53.4 31.4 73.2 57 57 A D E + D 0 52A 79 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.699 44.2 173.1 -82.2 116.3 53.5 35.2 72.7 58 58 A V E - D 0 51A 0 -7,-2.8 -7,-3.0 -2,-0.6 2,-0.3 -0.978 22.4-146.2-131.8 139.4 52.9 35.9 69.0 59 59 A R E -aD 4 50A 57 -56,-2.6 -54,-2.6 -2,-0.4 2,-0.4 -0.802 12.8-148.9-103.2 146.8 52.3 39.2 67.1 60 60 A L E -aD 5 49A 0 -11,-2.6 -11,-1.3 -2,-0.3 2,-0.3 -0.902 13.5-176.4-114.6 145.3 50.0 39.6 64.0 61 61 A L E +aD 6 48A 0 -56,-2.2 -54,-2.5 -2,-0.4 -13,-0.2 -0.994 16.8 178.1-145.4 131.3 50.4 41.9 61.1 62 62 A V E - D 0 47A 10 -15,-2.1 -15,-2.8 -2,-0.3 -54,-0.1 -0.954 34.7-133.1-127.8 106.2 48.3 42.7 58.0 63 63 A P E - D 0 46A 1 0, 0.0 -17,-0.3 0, 0.0 3,-0.1 -0.274 17.2-165.4 -60.4 148.5 50.1 45.5 56.0 64 64 A T + 0 0 23 -19,-2.6 -18,-0.2 1,-0.1 -19,-0.1 0.067 67.3 98.3-119.1 23.6 48.1 48.5 54.8 65 65 A T S S- 0 0 20 -20,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.596 98.2-100.7 -82.8 -16.1 50.9 49.6 52.4 66 66 A F > - 0 0 106 -57,-0.3 3,-1.9 -3,-0.1 -56,-0.2 0.150 46.6 -79.2 92.6 147.5 49.3 48.0 49.3 67 67 A M G > S+ 0 0 2 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.839 126.3 51.1 -43.6 -55.8 50.8 44.6 48.1 68 68 A N G 3 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.556 111.9 49.1 -68.5 -5.0 53.9 45.7 46.3 69 69 A L G X S+ 0 0 102 -3,-1.9 3,-1.1 1,-0.1 4,-0.5 0.164 74.9 114.7-117.6 15.6 55.1 47.8 49.3 70 70 A S T X> + 0 0 0 -3,-1.8 4,-1.7 1,-0.2 3,-0.7 0.753 59.6 73.5 -56.4 -34.6 54.5 45.2 52.0 71 71 A G H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.841 87.8 63.3 -51.5 -38.2 58.2 44.8 52.9 72 72 A K H <> S+ 0 0 109 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.897 105.6 43.6 -53.7 -47.5 58.1 48.2 54.7 73 73 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.5 5,-0.2 0.940 114.5 48.0 -68.3 -47.5 55.6 47.0 57.3 74 74 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.941 113.6 48.4 -60.5 -45.2 57.3 43.6 57.9 75 75 A A H X S+ 0 0 19 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.898 109.9 52.0 -62.2 -42.5 60.7 45.3 58.3 76 76 A A H X S+ 0 0 25 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.932 114.7 42.0 -61.4 -45.6 59.3 48.0 60.7 77 77 A M H X S+ 0 0 2 -4,-2.3 4,-2.2 -33,-0.2 5,-0.2 0.938 114.7 50.2 -67.2 -47.2 57.7 45.4 63.0 78 78 A A H X>S+ 0 0 8 -4,-2.8 5,-2.3 -5,-0.2 4,-0.6 0.874 112.5 48.1 -60.5 -37.8 60.7 43.0 62.8 79 79 A S H <5S+ 0 0 91 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.925 111.4 48.3 -72.4 -40.7 63.1 45.8 63.7 80 80 A F H <5S+ 0 0 113 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 122.6 32.7 -65.5 -44.6 61.2 47.2 66.6 81 81 A F H <5S- 0 0 65 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.424 108.4-123.7 -91.8 0.2 60.6 43.8 68.3 82 82 A R T <5 + 0 0 211 -4,-0.6 2,-0.4 -3,-0.3 -3,-0.2 0.954 47.3 169.6 54.8 61.5 64.0 42.5 67.1 83 83 A I < - 0 0 15 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.855 29.2-130.7-106.4 131.7 62.6 39.4 65.3 84 84 A N > - 0 0 90 -2,-0.4 3,-2.4 1,-0.1 -81,-0.2 -0.491 25.3-111.0 -78.3 154.2 64.8 37.3 63.0 85 85 A P G > S+ 0 0 30 0, 0.0 3,-1.6 0, 0.0 45,-0.5 0.865 118.1 55.0 -54.0 -38.6 63.6 36.4 59.5 86 86 A D G 3 S+ 0 0 90 1,-0.3 43,-0.1 43,-0.2 -2,-0.0 0.432 99.3 62.3 -79.1 7.0 63.2 32.7 60.4 87 87 A E G < S+ 0 0 30 -3,-2.4 -84,-2.8 -85,-0.1 -83,-1.7 0.178 91.5 89.0-107.8 11.6 61.0 33.7 63.3 88 88 A I E < -b 4 0A 1 -3,-1.6 42,-2.4 -86,-0.2 2,-0.5 -0.921 57.6-163.4-116.0 136.9 58.5 35.1 60.8 89 89 A L E -be 5 130A 0 -85,-2.6 -83,-3.0 -2,-0.4 2,-0.6 -0.982 8.0-163.6-117.8 120.2 55.6 33.3 59.1 90 90 A V E -be 6 131A 0 40,-2.8 42,-2.2 -2,-0.5 2,-0.4 -0.931 4.4-156.1-109.9 117.8 54.1 35.0 56.0 91 91 A A E +be 7 132A 0 -85,-3.5 -83,-2.1 -2,-0.6 2,-0.3 -0.776 27.3 157.0 -91.0 132.1 50.7 33.8 54.8 92 92 A H E - e 0 133A 4 40,-2.6 42,-3.0 -2,-0.4 2,-0.2 -0.979 45.1 -91.5-153.1 160.4 50.0 34.4 51.1 93 93 A D E - e 0 134A 3 -2,-0.3 2,-0.5 -73,-0.3 42,-0.2 -0.531 37.8-153.8 -72.9 142.0 47.9 33.3 48.1 94 94 A E E > - e 0 135A 33 40,-2.9 42,-2.1 -2,-0.2 3,-1.1 -0.953 16.9-168.5-127.0 113.4 49.6 30.7 45.9 95 95 A L T 3 S+ 0 0 41 -2,-0.5 -1,-0.1 1,-0.2 40,-0.0 0.805 87.0 64.4 -66.8 -29.6 48.7 30.2 42.2 96 96 A D T 3 S+ 0 0 118 41,-0.1 -1,-0.2 40,-0.1 39,-0.1 0.337 97.5 60.0 -79.5 3.6 50.6 26.9 42.1 97 97 A L S < S- 0 0 18 -3,-1.1 40,-2.6 40,-0.1 39,-1.0 -0.974 86.3-118.3-128.6 144.2 48.3 25.1 44.5 98 98 A P > - 0 0 72 0, 0.0 3,-1.7 0, 0.0 37,-0.2 -0.355 42.5 -81.1 -81.2 161.4 44.5 24.6 43.9 99 99 A P T 3 S+ 0 0 24 0, 0.0 37,-0.2 0, 0.0 62,-0.1 -0.430 118.8 39.5 -59.3 133.2 41.8 26.0 46.2 100 100 A G T 3 S+ 0 0 3 35,-0.5 2,-0.3 1,-0.3 36,-0.1 0.197 99.8 88.7 110.2 -11.4 41.4 23.6 49.2 101 101 A V < + 0 0 28 -3,-1.7 34,-2.4 90,-0.1 -1,-0.3 -0.882 46.9 177.1-120.6 146.6 45.1 22.9 49.7 102 102 A A E -F 134 0A 3 -2,-0.3 2,-0.3 85,-0.3 32,-0.2 -0.984 5.7-170.8-145.1 149.5 47.8 24.8 51.8 103 103 A K E -F 133 0A 57 30,-1.8 30,-3.4 -2,-0.3 2,-0.3 -0.989 19.3-130.2-143.7 151.8 51.5 24.2 52.4 104 104 A F E +F 132 0A 17 -2,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.730 29.4 174.7 -95.5 152.1 54.3 25.4 54.6 105 105 A K E -F 131 0A 89 26,-1.7 26,-2.8 -2,-0.3 2,-0.5 -0.978 22.8-145.8-156.0 144.0 57.7 26.3 53.1 106 106 A L E -F 130 0A 94 -2,-0.3 24,-0.2 24,-0.2 22,-0.1 -0.987 66.0 -27.8-116.4 120.7 60.9 27.9 54.4 107 107 A G S S+ 0 0 2 22,-2.2 2,-0.2 -2,-0.5 21,-0.1 -0.191 71.8 127.2 77.5-162.7 62.8 30.1 52.0 108 108 A G - 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