==== 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 02-MAR-03 1ONW . COMPND 2 MOLECULE: ISOASPARTYL DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.B.THODEN,R.MARTI-ARBONA,F.M.RAUSHEL,H.M.HOLDEN . 756 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 62 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 2 4 2 2 0 2 0 2 1 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 12 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 PARALLEL BRIDGES PER LADDER . 4 3 5 5 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 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 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 0 241 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.3 54.1 92.7 18.9 2 2 A I - 0 0 47 1,-0.1 2,-0.6 2,-0.0 415,-0.1 -0.395 360.0-126.9 -70.4 141.4 52.5 89.4 20.1 3 3 A D + 0 0 93 413,-0.2 413,-0.3 1,-0.1 3,-0.1 -0.850 38.3 160.3 -95.3 119.7 48.9 89.5 21.0 4 4 A Y > + 0 0 15 -2,-0.6 3,-2.1 411,-0.1 5,-0.3 0.100 39.2 115.8-119.6 12.5 48.1 88.2 24.5 5 5 A T G > + 0 0 88 1,-0.3 3,-1.2 2,-0.2 410,-0.1 0.703 60.7 74.4 -57.6 -23.7 44.7 89.8 24.8 6 6 A A G 3 S+ 0 0 31 408,-0.6 -1,-0.3 1,-0.3 409,-0.1 0.726 88.3 62.3 -64.8 -19.6 43.0 86.5 24.9 7 7 A A G < S- 0 0 0 -3,-2.1 25,-2.7 407,-0.4 -1,-0.3 0.710 93.1-145.6 -76.8 -22.4 44.3 86.1 28.5 8 8 A G < - 0 0 40 -3,-1.2 25,-0.3 -4,-0.3 2,-0.3 0.943 22.2-161.6 57.8 43.8 42.4 89.1 29.7 9 9 A F + 0 0 2 40,-0.4 42,-2.6 -5,-0.3 2,-0.4 -0.497 14.9 175.3 -66.8 131.0 45.2 90.0 32.1 10 10 A T E -Ab 30 51A 17 20,-2.0 20,-2.9 -2,-0.3 2,-0.6 -0.993 16.8-163.9-139.1 123.1 44.0 92.3 34.9 11 11 A L E -Ab 29 52A 0 40,-2.9 42,-3.2 -2,-0.4 2,-0.9 -0.936 6.9-158.6-111.6 114.4 46.0 93.5 37.8 12 12 A L E -Ab 28 53A 1 16,-3.4 16,-2.2 -2,-0.6 2,-0.5 -0.831 25.9-153.0 -93.8 108.1 44.0 95.0 40.7 13 13 A Q E - b 0 54A 51 40,-4.0 42,-4.0 -2,-0.9 43,-0.3 -0.777 43.4 -17.1-105.6 130.5 46.5 97.1 42.5 14 14 A G S S+ 0 0 18 -2,-0.5 43,-0.5 1,-0.2 -1,-0.2 0.580 76.0 144.2 74.3 17.4 46.9 98.4 46.0 15 15 A A - 0 0 1 11,-0.5 11,-2.5 -3,-0.2 2,-1.0 -0.447 61.1-105.1 -85.7 162.5 43.6 98.0 47.6 16 16 A H E -Ef 25 59B 53 42,-2.5 44,-1.9 39,-0.3 2,-0.4 -0.737 48.1-142.8 -81.2 106.6 43.0 97.0 51.2 17 17 A L E -Ef 24 60B 0 7,-3.2 6,-3.6 -2,-1.0 2,-0.5 -0.647 26.3-176.7 -86.7 128.9 41.9 93.4 50.6 18 18 A Y E -E 22 0B 26 42,-2.9 3,-0.2 -2,-0.4 4,-0.2 -0.941 1.9-178.3-119.6 99.3 39.2 91.6 52.6 19 19 A A S S- 0 0 0 2,-2.8 317,-2.2 -2,-0.5 3,-0.1 0.305 84.2 -81.3 -77.7 -3.9 39.2 88.0 51.2 20 20 A P S S+ 0 0 0 0, 0.0 -1,-0.2 0, 0.0 297,-0.1 -0.994 134.5 77.7 -68.6 -18.4 36.9 88.2 53.4 21 21 A E S S- 0 0 51 -3,-0.2 -2,-2.8 1,-0.1 2,-0.4 -0.288 102.0-101.3 -54.6 141.2 39.8 87.7 55.8 22 22 A D E +E 18 0B 89 -4,-0.2 -4,-0.2 1,-0.2 -1,-0.1 -0.518 46.6 170.4 -69.3 123.2 41.7 91.0 56.2 23 23 A R E - 0 0 115 -6,-3.6 -1,-0.2 -2,-0.4 -5,-0.2 0.235 33.8-139.2-114.0 8.2 44.8 90.8 54.0 24 24 A G E -E 17 0B 24 -7,-0.5 -7,-3.2 -8,-0.1 2,-0.7 -0.263 67.1 -6.4 64.8-154.4 45.8 94.4 54.3 25 25 A I E S+E 16 0B 98 -9,-0.3 2,-0.4 -11,-0.0 -9,-0.2 -0.616 88.8 153.5 -75.1 113.5 47.1 96.1 51.2 26 26 A C - 0 0 11 -11,-2.5 -11,-0.5 -2,-0.7 14,-0.3 -0.999 36.3-131.0-147.2 146.3 47.4 93.3 48.7 27 27 A D E - C 0 39A 6 12,-2.5 12,-1.4 -2,-0.4 2,-0.4 -0.577 12.0-150.6 -96.8 162.0 47.2 93.0 44.9 28 28 A V E -AC 12 38A 0 -16,-2.2 -16,-3.4 -2,-0.2 2,-0.5 -0.988 3.6-159.8-137.7 123.3 45.2 90.6 42.8 29 29 A L E -AC 11 37A 0 8,-2.4 7,-2.6 -2,-0.4 8,-1.4 -0.893 13.3-168.2-104.8 130.2 46.2 89.2 39.4 30 30 A V E +AC 10 35A 4 -20,-2.9 -20,-2.0 -2,-0.5 2,-0.3 -0.916 12.8 171.0-123.1 145.3 43.5 87.8 37.1 31 31 A A E > S- C 0 34A 0 3,-2.5 3,-2.8 -2,-0.4 -23,-0.2 -0.974 70.7 -4.3-150.2 137.8 43.6 85.8 33.9 32 32 A N T 3 S- 0 0 37 -25,-2.7 -24,-0.1 -2,-0.3 3,-0.1 0.855 128.2 -55.2 47.9 44.1 40.8 84.1 32.1 33 33 A G T 3 S+ 0 0 14 -25,-0.3 309,-2.9 -26,-0.2 2,-0.3 0.534 117.2 109.7 72.2 1.9 38.2 85.0 34.7 34 34 A K E < S-CD 31 341A 84 -3,-2.8 -3,-2.5 307,-0.3 2,-0.6 -0.857 74.8-117.7-115.2 154.1 40.3 83.4 37.4 35 35 A I E +C 30 0A 1 305,-3.3 304,-4.2 -2,-0.3 -5,-0.2 -0.724 36.6 170.8 -81.4 118.0 42.3 84.6 40.3 36 36 A I E + 0 0 0 -7,-2.6 348,-0.6 -2,-0.6 349,-0.4 0.573 61.3 16.7-107.5 -13.2 45.9 83.5 39.5 37 37 A A E -C 29 0A 0 -8,-1.4 -8,-2.4 347,-0.1 2,-0.4 -0.947 49.6-171.9-160.4 139.5 47.8 85.4 42.2 38 38 A V E +C 28 0A 36 343,-0.3 2,-0.3 -2,-0.3 -10,-0.2 -0.925 40.7 118.2-136.0 103.6 47.1 87.1 45.5 39 39 A A E > -C 27 0A 17 -12,-1.4 -12,-2.5 -2,-0.4 3,-0.5 -0.989 63.1 -92.4-159.1 163.1 50.1 89.0 46.9 40 40 A S T 3 S+ 0 0 67 -2,-0.3 -14,-0.1 -14,-0.3 340,-0.1 -0.557 103.6 8.5 -77.8 143.5 51.5 92.3 47.9 41 41 A N T 3 S- 0 0 133 -2,-0.2 -1,-0.2 1,-0.2 -28,-0.1 0.869 71.6-176.4 52.9 54.4 53.4 94.1 45.2 42 42 A I < - 0 0 3 -3,-0.5 2,-0.3 1,-0.1 -1,-0.2 -0.643 39.7-103.7 -77.3 133.2 52.8 92.0 42.2 43 43 A P > - 0 0 49 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.486 18.8-135.7 -62.7 122.6 54.9 93.6 39.4 44 44 A S T 3 S+ 0 0 63 1,-0.3 3,-0.2 -2,-0.3 6,-0.1 0.632 106.9 45.7 -52.2 -17.4 52.7 95.6 37.0 45 45 A D T 3 S+ 0 0 128 1,-0.1 -1,-0.3 4,-0.1 4,-0.0 0.178 73.3 111.4-116.0 17.2 54.6 94.0 34.2 46 46 A I S < S+ 0 0 34 -3,-2.6 -2,-0.1 1,-0.1 -1,-0.1 0.807 89.6 25.4 -58.6 -32.9 54.6 90.4 35.4 47 47 A V S S- 0 0 4 -4,-0.3 3,-0.4 -3,-0.2 378,-0.1 -0.951 89.5-112.8-133.6 150.8 52.3 89.5 32.5 48 48 A P S S+ 0 0 22 0, 0.0 -39,-0.2 0, 0.0 3,-0.2 -0.271 92.3 24.4 -80.9 164.6 51.8 91.3 29.1 49 49 A N S S+ 0 0 85 1,-0.2 2,-0.5 -41,-0.1 -40,-0.4 0.910 89.3 170.6 47.1 40.3 48.8 93.2 27.7 50 50 A C - 0 0 30 -3,-0.4 2,-0.8 -6,-0.1 -40,-0.2 -0.776 35.8-142.0 -93.5 124.8 48.0 93.7 31.4 51 51 A T E -b 10 0A 84 -42,-2.6 -40,-2.9 -2,-0.5 2,-0.6 -0.717 21.8-155.8 -81.8 110.1 45.2 96.1 32.4 52 52 A V E -b 11 0A 64 -2,-0.8 2,-0.5 -42,-0.2 -40,-0.2 -0.829 7.6-166.6 -96.1 122.9 46.6 97.7 35.6 53 53 A V E -b 12 0A 24 -42,-3.2 -40,-4.0 -2,-0.6 2,-0.9 -0.947 13.5-144.2-113.2 118.7 44.0 99.1 38.0 54 54 A D E +b 13 0A 107 -2,-0.5 -40,-0.2 -42,-0.2 -42,-0.1 -0.731 24.6 170.2 -83.9 103.4 45.1 101.4 40.7 55 55 A L > + 0 0 7 -42,-4.0 3,-2.7 -2,-0.9 -39,-0.3 0.111 19.0 152.1-102.3 21.4 42.9 100.6 43.7 56 56 A S T 3 S+ 0 0 58 -43,-0.3 -41,-0.2 1,-0.3 3,-0.1 -0.250 73.0 11.5 -52.4 136.7 44.9 102.7 46.2 57 57 A G T 3 S+ 0 0 56 -43,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.431 110.6 105.7 72.4 0.1 42.7 103.9 49.0 58 58 A Q < - 0 0 46 -3,-2.7 -42,-2.5 -44,-0.2 2,-0.3 -0.645 68.1-119.0-107.6 169.5 39.9 101.6 47.9 59 59 A I E -fG 16 347B 10 288,-3.6 288,-2.8 -2,-0.2 2,-0.4 -0.827 20.7-161.2-105.4 145.3 38.5 98.3 49.4 60 60 A L E +fG 17 346B 0 -44,-1.9 -42,-2.9 -2,-0.3 286,-0.2 -0.994 22.3 149.3-128.4 128.9 38.5 95.0 47.5 61 61 A C E - G 0 345B 0 284,-2.3 284,-2.8 -2,-0.4 -42,-0.2 -0.921 47.5 -72.9-150.2 173.8 36.3 92.0 48.5 62 62 A P E - G 0 344B 3 0, 0.0 282,-0.3 0, 0.0 3,-0.1 -0.412 54.0-103.6 -72.3 149.4 34.5 89.0 47.1 63 63 A G - 0 0 2 280,-1.7 271,-0.2 294,-0.1 34,-0.2 -0.361 44.8 -95.3 -68.5 153.3 31.3 89.5 45.1 64 64 A F E -k 97 0C 0 32,-3.0 34,-2.6 280,-0.0 35,-1.8 -0.408 25.6-151.6 -71.5 144.1 28.0 88.8 46.8 65 65 A I E -k 99 0C 1 255,-2.7 2,-0.8 33,-0.2 35,-0.2 -0.966 12.1-168.5-115.0 108.4 26.3 85.4 46.4 66 66 A D E -k 100 0C 0 33,-2.4 35,-2.0 -2,-0.6 3,-0.2 -0.871 4.8-173.5-104.8 105.8 22.5 85.9 46.8 67 67 A Q E + 0 0 7 -2,-0.8 2,-0.2 215,-0.3 -1,-0.1 0.273 68.5 58.6 -85.5 13.9 20.9 82.6 47.2 68 68 A H E + 0 0 1 214,-0.1 217,-1.9 35,-0.0 218,-0.7 -0.636 63.7 139.2-145.6 83.7 17.2 83.6 47.1 69 69 A V E -kl 102 286C 0 32,-2.0 34,-2.0 -2,-0.2 2,-1.9 -0.987 49.5-138.3-128.0 136.3 16.2 85.5 44.0 70 70 A H > + 0 0 10 216,-2.8 3,-1.9 -2,-0.4 17,-0.2 -0.527 33.5 177.6 -89.0 73.0 13.0 85.3 42.0 71 71 A L T 3 S+ 0 0 0 -2,-1.9 16,-2.7 1,-0.3 -1,-0.2 0.785 75.3 37.1 -47.4 -42.4 14.9 85.5 38.7 72 72 A I T 3 S- 0 0 22 1,-0.4 -1,-0.3 31,-0.3 14,-0.3 0.458 127.2 -87.9 -94.6 -0.1 12.0 85.1 36.3 73 73 A G < - 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m 0 131C 3 -35,-2.0 -32,-2.0 -2,-0.3 31,-0.3 -0.983 25.9-154.8-118.8 111.9 20.4 81.0 43.2 102 102 A G E +km 69 132C 0 29,-3.1 31,-2.0 -2,-0.5 2,-0.3 -0.608 19.8 165.8 -87.7 152.7 17.0 81.5 41.5 103 103 A L - 0 0 0 -34,-2.0 -31,-0.3 -2,-0.2 2,-0.2 -0.953 29.8-119.4-154.4 173.5 13.8 80.0 42.8 104 104 A L - 0 0 4 31,-0.3 4,-0.1 -2,-0.3 -30,-0.1 -0.736 25.8-175.6-112.7 165.5 10.0 80.0 42.6 105 105 A G - 0 0 8 2,-0.5 32,-2.7 -2,-0.2 33,-0.5 0.102 57.9 -14.7-129.0-126.2 7.5 80.7 45.4 106 106 A T S S+ 0 0 42 30,-0.2 2,-0.7 31,-0.1 32,-0.2 0.933 118.6 65.7 -53.9 -50.1 3.8 80.7 45.9 107 107 A D + 0 0 28 -32,-0.4 -2,-0.5 1,-0.1 -1,-0.1 -0.688 41.6 147.3 -88.5 115.5 3.0 80.5 42.2 108 108 A S + 0 0 12 -2,-0.7 -1,-0.1 -4,-0.1 -2,-0.1 -0.039 66.8 72.8-126.4 25.4 4.0 77.4 40.4 109 109 A I S S+ 0 0 122 3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.775 112.4 20.4-103.2 -47.4 1.1 77.6 38.0 110 110 A S S S+ 0 0 43 2,-0.0 2,-0.4 -34,-0.0 -2,-0.1 0.400 122.0 70.3-102.2 -0.3 2.1 80.4 35.8 111 111 A R - 0 0 20 -6,-0.1 -7,-0.0 4,-0.0 3,-0.0 -0.968 68.5-167.4-118.3 136.5 5.8 80.0 36.8 112 112 A H >> - 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