==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-APR-03 1P4D . COMPND 2 MOLECULE: TRAI PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.DATTA,C.LARKIN,J.F.SCHILDBACH . 827 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 581 70.3 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 . 133 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 . 2 0.2 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 . 72 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 2 2 2 3 2 4 0 0 0 1 2 1 2 1 5 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 . 6 6 5 0 3 2 6 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 . 10 0 0 2 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 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 0 102 0, 0.0 84,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-162.0 27.3 69.5 112.3 2 2 A M E -A 84 0A 2 191,-0.2 2,-0.3 82,-0.2 82,-0.2 -0.986 360.0-167.1-131.5 120.1 24.3 71.8 111.5 3 3 A S E -A 83 0A 51 80,-2.1 80,-1.7 -2,-0.4 2,-0.4 -0.722 12.0-143.7-101.2 158.5 24.4 75.5 112.0 4 4 A I E +A 82 0A 19 -2,-0.3 2,-0.3 78,-0.2 78,-0.2 -0.943 26.3 155.6-124.7 145.2 21.2 77.6 112.0 5 5 A A E -A 81 0A 45 76,-0.9 76,-3.0 -2,-0.4 3,-0.1 -0.981 48.0 -91.5-163.2 154.5 20.7 81.1 110.6 6 6 A Q E -A 80 0A 150 -2,-0.3 74,-0.2 74,-0.2 2,-0.1 -0.423 57.3-103.1 -63.9 144.8 18.1 83.4 109.3 7 7 A V - 0 0 1 72,-2.5 2,-0.5 155,-0.1 72,-0.2 -0.477 42.3 -97.9 -73.7 147.7 17.9 83.0 105.6 8 8 A R - 0 0 115 1,-0.2 5,-0.3 -2,-0.1 -1,-0.1 -0.533 59.4 -72.2 -73.5 118.9 19.5 85.7 103.6 9 9 A S > - 0 0 76 -2,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.486 41.6-116.8 -4.1 127.2 17.1 88.4 102.3 10 10 A A H > S+ 0 0 16 46,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.780 111.1 64.1 -48.4 -27.9 14.9 87.3 99.4 11 11 A G H 4 S+ 0 0 56 1,-0.2 3,-0.3 2,-0.1 4,-0.3 0.996 118.1 15.6 -60.8 -72.0 16.6 90.0 97.4 12 12 A S H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.1 -2,-0.2 0.496 102.4 96.1 -83.3 -4.9 20.3 88.7 97.3 13 13 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.929 79.2 54.8 -49.4 -56.6 19.4 85.2 98.4 14 14 A G H X S+ 0 0 2 -4,-0.6 4,-1.6 -3,-0.3 3,-0.3 0.919 114.5 35.8 -44.9 -62.4 19.3 83.7 94.9 15 15 A N H > S+ 0 0 50 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.832 113.6 61.0 -66.7 -29.9 22.7 84.8 93.7 16 16 A Y H < S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.4 34.4 -63.3 -41.2 24.2 84.2 97.2 17 17 A Y H < S+ 0 0 0 -4,-2.5 -1,-0.2 -3,-0.3 -2,-0.2 0.661 129.1 34.2 -88.2 -15.9 23.3 80.5 97.2 18 18 A T H < + 0 0 20 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.641 69.9 119.3-119.5 -12.7 23.8 79.9 93.4 19 19 A D S >< S- 0 0 45 -4,-2.2 3,-1.9 -5,-0.2 4,-0.2 -0.369 72.7-115.4 -60.7 131.5 26.6 81.9 91.7 20 20 A K G >> S+ 0 0 82 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.665 105.1 77.8 -36.8 -33.0 29.1 79.4 90.4 21 21 A D G 34 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.534 85.7 61.8 -63.9 -4.7 31.9 80.6 92.7 22 22 A N G <4 S+ 0 0 43 -3,-1.9 125,-1.6 1,-0.1 126,-0.5 0.586 116.6 27.1 -95.8 -11.1 30.4 78.7 95.6 23 23 A Y T <> S+ 0 0 28 -3,-1.8 4,-2.5 123,-0.2 3,-0.4 0.194 79.6 122.2-135.5 18.2 30.8 75.3 94.1 24 24 A Y T < S+ 0 0 19 -4,-0.5 711,-0.3 1,-0.2 -3,-0.1 0.879 79.4 45.9 -49.5 -51.6 33.7 75.6 91.6 25 25 A V T 4 S+ 0 0 15 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.844 113.5 50.9 -64.8 -31.9 35.8 72.8 93.1 26 26 A L T 4 S- 0 0 21 -3,-0.4 2,-0.5 1,-0.1 -1,-0.2 0.872 100.1-141.4 -71.7 -36.6 32.8 70.5 93.3 27 27 A G S < S+ 0 0 39 -4,-2.5 2,-0.3 -7,-0.2 -1,-0.1 -0.484 75.2 41.4 108.6 -61.7 32.0 71.2 89.6 28 28 A S S S- 0 0 79 -2,-0.5 -2,-0.0 1,-0.1 0, 0.0 -0.816 75.0-130.7-117.1 159.7 28.2 71.3 90.0 29 29 A M - 0 0 20 -2,-0.3 116,-2.2 -11,-0.1 3,-0.1 0.562 29.5-150.9 -83.3 -9.6 26.0 72.9 92.7 30 30 A G + 0 0 31 1,-0.2 113,-0.1 114,-0.2 -1,-0.0 0.708 33.9 172.0 44.1 25.0 24.1 69.6 92.9 31 31 A E + 0 0 33 114,-0.1 2,-0.3 16,-0.1 113,-0.2 -0.264 5.2 161.2 -66.6 146.2 21.1 71.8 94.0 32 32 A R E -B 143 0A 45 111,-1.5 111,-2.8 14,-0.2 14,-0.2 -0.992 39.0-104.7-163.8 155.9 17.6 70.4 94.4 33 33 A W E -B 142 0A 17 12,-1.3 12,-0.3 -2,-0.3 2,-0.3 -0.477 40.5-179.8 -78.4 153.6 14.2 70.9 95.9 34 34 A A E +B 141 0A 18 107,-2.6 107,-2.8 -2,-0.1 4,-0.4 -0.981 26.6 62.1-151.4 161.8 13.3 68.8 98.9 35 35 A G S > S- 0 0 18 -2,-0.3 4,-1.8 105,-0.2 3,-0.3 0.131 80.2 -88.1 99.4 145.1 10.4 68.3 101.2 36 36 A R H > S+ 0 0 36 1,-0.2 4,-1.7 101,-0.2 104,-0.1 0.865 125.7 55.2 -51.7 -40.0 6.7 67.1 101.1 37 37 A G H > S+ 0 0 0 102,-1.6 4,-1.5 2,-0.2 103,-0.3 0.886 102.4 52.5 -64.4 -42.1 5.8 70.8 100.3 38 38 A A H 4>S+ 0 0 0 101,-1.2 5,-3.4 -4,-0.4 4,-0.2 0.903 109.8 51.3 -62.1 -37.5 8.0 71.2 97.3 39 39 A E H ><5S+ 0 0 52 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.890 105.5 55.2 -65.8 -37.7 6.5 68.1 95.9 40 40 A Q H 3<5S+ 0 0 115 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 108.9 47.7 -65.3 -29.9 3.0 69.5 96.5 41 41 A L T 3<5S- 0 0 23 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.397 119.7-110.3 -90.8 3.0 3.9 72.6 94.4 42 42 A G T < 5 + 0 0 61 -3,-1.3 2,-0.8 1,-0.2 -3,-0.2 0.802 68.5 148.9 73.1 26.8 5.4 70.4 91.7 43 43 A L < + 0 0 17 -5,-3.4 2,-0.3 -6,-0.2 -1,-0.2 -0.859 15.6 154.5 -97.4 108.8 8.9 71.5 92.5 44 44 A Q - 0 0 86 -2,-0.8 2,-0.2 2,-0.2 -10,-0.1 -0.999 45.5 -18.0-138.6 140.1 11.3 68.7 91.7 45 45 A G S S+ 0 0 36 -2,-0.3 -12,-1.3 -12,-0.3 -2,-0.0 -0.429 106.4 38.0 76.2-141.0 15.0 68.5 90.8 46 46 A S S S- 0 0 90 -14,-0.2 2,-0.5 -2,-0.2 -2,-0.2 -0.099 80.9-123.1 -48.7 143.3 17.0 71.5 89.6 47 47 A V - 0 0 13 96,-0.1 2,-0.5 -16,-0.1 -1,-0.1 -0.828 9.2-140.9-102.5 123.9 16.1 74.8 91.2 48 48 A D > - 0 0 87 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 -0.659 10.5-145.5 -78.9 120.6 15.0 77.9 89.3 49 49 A K H > S+ 0 0 85 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.877 98.5 50.6 -54.0 -40.4 16.6 81.0 90.8 50 50 A D H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 111.1 46.2 -67.5 -40.9 13.5 83.1 90.0 51 51 A V H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.875 113.1 52.4 -67.8 -36.4 11.0 80.6 91.6 52 52 A F H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.945 109.4 47.2 -63.2 -52.1 13.3 80.3 94.6 53 53 A T H X S+ 0 0 27 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.935 112.8 49.8 -55.6 -48.9 13.5 84.1 95.1 54 54 A R H >X>S+ 0 0 108 -4,-2.1 5,-1.7 1,-0.2 3,-1.1 0.934 107.2 55.0 -56.2 -47.1 9.7 84.3 94.8 55 55 A L H ><5S+ 0 0 3 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.879 104.6 53.7 -53.9 -41.0 9.3 81.5 97.3 56 56 A L H 3<5S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.791 107.3 52.2 -66.5 -25.1 11.4 83.5 99.7 57 57 A E H <<5S- 0 0 49 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 0.609 122.8-104.2 -85.3 -14.1 9.0 86.4 99.2 58 58 A G T <<5S+ 0 0 0 -4,-1.0 8,-1.3 -3,-0.8 2,-0.8 0.284 81.4 129.2 108.5 -10.5 5.9 84.3 100.0 59 59 A R B < -E 65 0B 78 -5,-1.7 -1,-0.3 6,-0.2 6,-0.2 -0.713 42.1-163.3 -82.9 110.5 4.8 84.0 96.4 60 60 A L > - 0 0 13 4,-2.5 3,-1.4 -2,-0.8 -4,-0.0 -0.546 29.3-114.3 -91.9 159.5 4.3 80.3 95.7 61 61 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.582 110.8 61.9 -70.9 -6.1 4.0 78.7 92.3 62 62 A D T 3 S- 0 0 89 2,-0.1 3,-0.1 0, 0.0 -20,-0.0 0.216 123.1 -95.3-103.2 16.0 0.4 77.7 92.8 63 63 A G S < S+ 0 0 66 -3,-1.4 0, 0.0 1,-0.3 0, 0.0 -0.026 81.1 135.5 100.8 -33.4 -0.9 81.3 93.2 64 64 A A - 0 0 30 -5,-0.1 -4,-2.5 1,-0.1 2,-0.4 -0.155 34.1-167.4 -52.1 142.1 -0.8 81.4 97.0 65 65 A D B +E 59 0B 81 -6,-0.2 -6,-0.2 -3,-0.1 -7,-0.1 -0.957 25.1 167.0-141.4 117.6 0.7 84.6 98.4 66 66 A L + 0 0 41 -8,-1.3 -7,-0.1 -2,-0.4 -8,-0.1 0.214 39.2 130.9-110.7 10.5 1.8 85.2 102.0 67 67 A S - 0 0 25 -9,-0.1 2,-0.3 1,-0.1 -9,-0.1 -0.266 43.2-156.8 -64.5 154.2 3.7 88.4 101.3 68 68 A R - 0 0 138 -11,-0.2 7,-2.5 8,-0.1 2,-0.3 -0.764 4.7-162.4-134.8 87.2 3.0 91.4 103.5 69 69 A M E +F 74 0C 111 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.564 17.6 168.6 -74.2 131.5 3.8 94.7 101.8 70 70 A Q E > -F 73 0C 98 3,-2.3 3,-1.6 -2,-0.3 -2,-0.1 -0.905 65.7 -26.0-148.4 111.5 4.1 97.4 104.4 71 71 A D T 3 S- 0 0 150 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.857 128.7 -41.1 51.2 43.4 5.6 100.9 103.7 72 72 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.345 123.2 82.3 93.3 -9.0 7.8 99.6 100.8 73 73 A S E < S-F 70 0C 62 -3,-1.6 -3,-2.3 -5,-0.1 2,-0.4 -0.963 75.6-116.4-134.5 151.0 9.0 96.4 102.2 74 74 A N E -F 69 0C 45 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.1 -0.688 19.6-166.6 -82.0 129.4 7.8 92.8 102.6 75 75 A R + 0 0 135 -7,-2.5 2,-0.5 -2,-0.4 -1,-0.1 0.326 52.4 112.3-102.0 9.5 7.4 91.8 106.2 76 76 A H S S- 0 0 14 -19,-0.2 -2,-0.1 -8,-0.1 -8,-0.1 -0.704 76.4-118.3 -81.0 125.4 7.0 88.1 105.6 77 77 A R - 0 0 147 -2,-0.5 87,-0.2 1,-0.1 99,-0.2 -0.511 17.2-141.1 -66.7 128.4 10.1 86.4 107.0 78 78 A P - 0 0 17 0, 0.0 86,-1.7 0, 0.0 2,-0.3 0.881 44.6-114.4 -58.7 -43.3 11.9 84.6 104.1 79 79 A G E - C 0 163A 3 84,-0.2 -72,-2.5 -72,-0.2 2,-0.3 -0.987 35.8 -48.4 144.3-152.9 12.8 81.5 106.1 80 80 A Y E -AC 6 162A 23 82,-2.6 82,-3.4 -2,-0.3 2,-0.6 -0.921 23.3-142.8-133.1 155.0 15.8 79.6 107.5 81 81 A D E -AC 5 161A 6 -76,-3.0 -76,-0.9 -2,-0.3 2,-0.8 -0.934 13.7-173.2-115.9 108.9 19.2 78.3 106.5 82 82 A L E -AC 4 160A 2 78,-2.7 78,-2.8 -2,-0.6 2,-0.6 -0.899 14.8-160.6-104.0 105.7 20.2 74.9 108.0 83 83 A T E -AC 3 159A 15 -80,-1.7 -80,-2.1 -2,-0.8 2,-0.6 -0.801 7.3-164.2 -96.3 114.4 23.8 74.3 107.0 84 84 A F E -AC 2 158A 0 74,-2.4 74,-2.1 -2,-0.6 2,-0.4 -0.851 10.5-167.8 -98.0 118.0 25.3 70.8 107.1 85 85 A S E - C 0 157A 15 -84,-1.8 72,-0.2 -2,-0.6 3,-0.1 -0.880 13.0-136.7-109.7 137.4 29.1 70.7 107.0 86 86 A A - 0 0 9 70,-2.8 2,-0.1 -2,-0.4 70,-0.1 -0.423 37.6 -87.9 -84.2 161.7 31.1 67.6 106.5 87 87 A P >> - 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