==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-08 2VUN . COMPND 2 MOLECULE: ENAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EUBACTERIUM BARKERI; . AUTHOR D.KRESS,A.ALHAPEL,A.J.PIERIK,L.-O.ESSEN . 1540 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1139 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 164 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 140 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 347 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.2 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 4 12 4 4 4 0 3 7 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 12 12 12 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 . 13 12 4 8 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 0 12 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 2 A S 0 0 105 0, 0.0 29,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.5 16.4 49.1 31.9 2 3 A K E -A 29 0A 56 27,-0.2 47,-2.2 28,-0.1 2,-0.4 -0.987 360.0-178.1-134.4 135.1 15.3 45.6 30.8 3 4 A T E -Ab 28 49A 11 25,-2.7 25,-3.6 -2,-0.4 2,-0.5 -0.992 8.6-160.8-128.5 139.3 16.6 42.1 31.6 4 5 A I E -Ab 27 50A 0 45,-2.7 47,-3.1 -2,-0.4 2,-0.6 -0.986 4.6-159.2-119.7 124.2 15.3 38.8 30.2 5 6 A I E +Ab 26 51A 0 21,-2.8 21,-2.6 -2,-0.5 2,-0.2 -0.920 26.7 176.3 -96.2 118.6 16.0 35.4 31.8 6 7 A K E + b 0 52A 62 45,-2.4 47,-2.7 -2,-0.6 49,-0.2 -0.645 47.1 39.8-115.6 170.7 15.4 32.8 29.1 7 8 A N S S+ 0 0 80 -2,-0.2 48,-2.6 1,-0.2 2,-0.4 0.855 70.1 171.7 61.1 38.9 15.8 29.0 28.9 8 9 A I - 0 0 8 16,-2.3 -1,-0.2 -3,-0.2 49,-0.2 -0.693 24.7-163.3 -83.9 127.8 14.4 28.3 32.4 9 10 A G S S+ 0 0 54 47,-2.4 2,-0.3 -2,-0.4 48,-0.2 0.816 75.8 5.2 -78.7 -33.5 13.8 24.6 33.2 10 11 A K E -f 57 0B 50 46,-1.3 48,-2.5 14,-0.1 2,-0.5 -0.968 60.0-154.8-153.0 136.4 11.6 25.3 36.3 11 12 A I E -fG 58 21B 0 10,-0.7 10,-2.4 -2,-0.3 2,-0.6 -0.973 7.9-165.5-114.2 118.4 10.1 28.4 37.9 12 13 A V E - G 0 20B 0 46,-2.7 8,-0.2 -2,-0.5 312,-0.1 -0.931 7.0-159.1-104.9 120.0 9.3 28.2 41.6 13 14 A S - 0 0 2 6,-1.9 311,-2.4 -2,-0.6 7,-0.1 0.713 21.0-132.2 -79.7 -26.3 7.1 31.1 42.5 14 15 A G S S+ 0 0 0 5,-0.5 2,-0.7 289,-0.2 297,-0.5 0.383 73.2 117.6 81.5 -3.4 7.5 31.5 46.3 15 16 A D > - 0 0 37 3,-0.4 3,-1.4 1,-0.1 -1,-0.2 -0.877 55.6-157.8 -98.9 111.2 3.7 31.7 46.5 16 17 A I T 3 S+ 0 0 47 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.757 91.4 64.5 -61.7 -23.7 2.3 28.8 48.5 17 18 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.3 2,-0.1 251,-0.0 0.789 127.8 6.6 -68.7 -29.8 -1.1 29.2 46.8 18 19 A S S < S- 0 0 58 -3,-1.4 -3,-0.4 1,-0.0 -1,-0.3 -0.577 74.4-179.8-152.7 83.6 0.6 28.2 43.4 19 20 A P + 0 0 35 0, 0.0 -6,-1.9 0, 0.0 -5,-0.5 0.601 63.7 51.6 -66.9 -19.1 4.2 27.2 44.0 20 21 A V E -G 12 0B 45 -8,-0.2 2,-0.5 -7,-0.1 -8,-0.2 -0.981 63.7-154.2-127.3 133.8 5.2 26.4 40.4 21 22 A L E -G 11 0B 42 -10,-2.4 2,-1.8 -2,-0.4 -10,-0.7 -0.919 15.9-140.4-104.8 123.4 4.9 28.5 37.2 22 23 A Q + 0 0 181 -2,-0.5 2,-0.3 -12,-0.1 -12,-0.0 -0.589 67.2 97.4 -83.2 79.6 4.6 26.7 33.9 23 24 A A - 0 0 26 -2,-1.8 15,-0.2 -12,-0.1 -12,-0.1 -0.950 57.2-153.3-156.9 166.4 6.8 29.1 31.9 24 25 A D S S+ 0 0 65 13,-1.9 -16,-2.3 -2,-0.3 2,-0.4 0.329 73.3 62.5-130.9 6.2 10.4 29.4 30.7 25 26 A T E - C 0 37A 3 12,-1.9 12,-2.7 -19,-0.2 2,-0.4 -0.999 52.4-170.8-142.3 134.1 11.0 33.1 30.3 26 27 A I E -AC 5 36A 0 -21,-2.6 -21,-2.8 -2,-0.4 2,-0.5 -0.995 9.5-154.8-128.8 128.1 10.9 36.1 32.8 27 28 A V E -AC 4 35A 5 8,-3.0 7,-3.4 -2,-0.4 8,-1.5 -0.891 6.7-165.0-104.0 129.9 11.1 39.8 31.8 28 29 A V E -AC 3 33A 3 -25,-3.6 -25,-2.7 -2,-0.5 2,-0.4 -0.957 8.0-178.8-113.8 125.8 12.4 42.3 34.3 29 30 A E E > -AC 2 32A 90 3,-2.5 3,-1.8 -2,-0.5 -27,-0.2 -0.992 66.6 -15.8-130.3 127.9 11.8 46.0 33.7 30 31 A D T 3 S- 0 0 128 -29,-2.8 -1,-0.1 -2,-0.4 -28,-0.1 0.889 128.2 -50.3 48.1 48.3 13.0 48.9 35.9 31 32 A G T 3 S+ 0 0 19 -30,-0.2 299,-2.7 1,-0.2 2,-0.3 0.444 120.7 97.4 78.0 1.2 13.8 46.6 38.8 32 33 A L E < S-CD 29 329A 70 -3,-1.8 -3,-2.5 297,-0.3 2,-0.4 -0.861 83.8-102.2-120.8 154.6 10.4 44.8 38.8 33 34 A I E +C 28 0A 3 295,-3.1 294,-3.4 292,-0.3 -5,-0.3 -0.651 40.6 177.0 -73.3 123.6 9.1 41.6 37.3 34 35 A A E - 0 0 35 -7,-3.4 2,-0.3 -2,-0.4 -6,-0.2 0.836 56.4 -6.1 -98.2 -45.0 7.3 42.7 34.2 35 36 A A E -C 27 0A 28 -8,-1.5 -8,-3.0 290,-0.1 2,-0.4 -0.993 47.8-156.0-153.9 151.9 6.1 39.4 32.6 36 37 A I E +C 26 0A 45 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.998 49.2 86.5-129.3 134.0 6.4 35.6 32.9 37 38 A G E -C 25 0A 13 -12,-2.7 -12,-1.9 -2,-0.4 -13,-1.9 -0.859 64.8 -51.4 176.9-142.4 5.8 33.4 29.9 38 39 A G S > S- 0 0 15 -2,-0.3 3,-2.1 -15,-0.2 4,-0.2 -0.253 73.9 -53.3-114.3-159.2 7.5 31.8 26.8 39 40 A E G > S+ 0 0 158 1,-0.3 3,-2.7 2,-0.2 4,-0.4 0.722 116.7 77.7 -52.2 -31.9 9.6 32.6 23.8 40 41 A E G > S+ 0 0 111 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.777 86.0 63.1 -51.5 -29.0 7.1 35.3 22.7 41 42 A L G < S+ 0 0 40 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.599 90.4 66.4 -74.5 -12.3 8.7 37.5 25.4 42 43 A M G X S+ 0 0 52 -3,-2.7 3,-0.8 -4,-0.2 -1,-0.2 0.622 77.6 111.1 -81.2 -14.7 12.1 37.4 23.6 43 44 A K T < S+ 0 0 155 -3,-1.1 -3,-0.0 -4,-0.4 0, 0.0 -0.353 85.6 5.9 -65.3 137.2 10.6 39.4 20.7 44 45 A D T 3 S+ 0 0 162 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.892 77.7 162.9 55.5 45.4 11.9 43.0 20.2 45 46 A A X + 0 0 25 -3,-0.8 3,-1.4 1,-0.2 2,-0.2 0.864 13.7 173.4 -61.8 -38.4 14.5 42.5 23.0 46 47 A G T 3 - 0 0 67 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 -0.468 67.4 -14.1 66.8-129.9 16.5 45.5 21.8 47 48 A D T 3 S+ 0 0 172 -2,-0.2 -1,-0.2 2,-0.1 -45,-0.1 0.253 96.6 141.1 -90.4 11.4 19.3 46.4 24.2 48 49 A A < - 0 0 16 -3,-1.4 2,-0.3 1,-0.1 -45,-0.2 -0.229 59.2-113.5 -57.4 138.7 18.0 44.2 27.0 49 50 A T E -b 3 0A 63 -47,-2.2 -45,-2.7 -4,-0.0 2,-0.5 -0.617 33.2-147.7 -69.4 129.5 20.5 42.2 29.0 50 51 A I E -b 4 0A 28 -2,-0.3 335,-3.0 335,-0.3 2,-0.6 -0.915 12.9-168.4-108.5 125.7 19.9 38.5 28.3 51 52 A I E -bE 5 384A 3 -47,-3.1 -45,-2.4 -2,-0.5 2,-0.8 -0.960 11.7-149.9-114.8 118.2 20.5 35.9 31.0 52 53 A D E -bE 6 383A 39 331,-3.1 331,-2.3 -2,-0.6 -45,-0.2 -0.788 3.4-163.0 -88.4 110.5 20.6 32.3 29.8 53 54 A A > - 0 0 0 -47,-2.7 3,-2.0 -2,-0.8 -44,-0.2 0.523 27.0-136.6 -71.4 -6.9 19.4 30.1 32.7 54 55 A A T 3 - 0 0 32 1,-0.3 -46,-0.1 -48,-0.2 -47,-0.1 0.752 64.3 -59.6 58.7 28.1 20.8 27.0 30.9 55 56 A G T 3 S+ 0 0 21 -48,-2.6 -1,-0.3 -49,-0.2 -47,-0.2 0.557 108.9 124.4 79.2 8.5 17.7 24.9 31.7 56 57 A S < - 0 0 0 -3,-2.0 -47,-2.4 -49,-0.3 -46,-1.3 -0.007 62.9 -74.9 -89.3-163.7 18.1 25.3 35.5 57 58 A T E -fH 10 335B 3 278,-2.8 278,-2.9 -48,-0.2 2,-0.5 -0.765 27.7-156.8-107.7 137.6 15.7 26.7 38.1 58 59 A V E +fH 11 334B 0 -48,-2.5 -46,-2.7 -2,-0.4 276,-0.2 -0.948 21.6 164.6-108.0 130.8 14.6 30.2 39.0 59 60 A T E - H 0 333B 0 274,-2.3 274,-2.8 -2,-0.5 -46,-0.1 -0.858 42.7 -89.2-128.5 168.9 13.3 31.0 42.5 60 61 A P E - H 0 332B 0 0, 0.0 272,-0.3 0, 0.0 -46,-0.1 -0.422 56.1 -88.8 -68.7 157.4 12.8 34.2 44.4 61 62 A G - 0 0 1 270,-2.0 31,-0.2 301,-0.1 2,-0.1 -0.405 54.5-107.4 -59.0 145.0 15.7 35.6 46.5 62 63 A L E -k 92 0C 1 29,-2.5 31,-2.2 26,-0.1 32,-1.7 -0.429 24.0-141.5 -79.9 149.9 15.6 34.1 50.0 63 64 A L E -k 94 0C 0 246,-3.0 2,-0.6 29,-0.2 32,-0.2 -0.897 3.9-157.6-103.0 141.7 14.6 36.0 53.2 64 65 A D E -k 95 0C 4 30,-1.9 32,-2.7 -2,-0.4 209,-0.3 -0.970 11.3-173.8-109.9 108.1 16.3 35.5 56.5 65 66 A T E S+ 0 0 0 207,-1.8 208,-0.2 -2,-0.6 2,-0.2 0.392 72.1 52.3 -83.2 2.1 13.6 36.6 59.0 66 67 A H E + 0 0 0 206,-0.1 209,-1.8 32,-0.0 210,-1.2 -0.607 65.6 146.7-143.6 76.5 15.9 36.4 62.1 67 68 A V E -kl 97 276C 2 29,-2.3 31,-2.5 -3,-0.2 2,-1.2 -0.949 38.6-147.0-115.5 130.9 19.2 38.2 61.8 68 69 A H + 0 0 6 208,-1.5 32,-0.1 -2,-0.4 29,-0.1 -0.635 31.9 175.8 -98.4 77.9 20.9 39.9 64.7 69 70 A V - 0 0 1 -2,-1.2 33,-0.3 30,-0.1 34,-0.2 -0.255 21.0-177.6 -72.9 164.1 22.5 42.8 62.9 70 71 A S - 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