==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLASMID 17-APR-98 1VUB . COMPND 2 MOLECULE: CCDB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.LORIS,M.-H.DAO-THI,E.M.BAHASI,L.VAN MELDEREN,F.POORTMANS, . 394 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 69.0 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 . 117 29.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 0 0 0 4 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 . 2 1 11 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 2 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 0 109 0, 0.0 3,-1.6 0, 0.0 13,-0.3 0.000 360.0 360.0 360.0 147.4 98.3 85.2 12.8 2 2 A Q T 3 + 0 0 29 1,-0.2 13,-0.2 14,-0.2 77,-0.1 -0.184 360.0 5.2 -57.8 132.6 100.9 82.8 11.5 3 3 A F T 3 S+ 0 0 9 11,-3.3 75,-3.5 1,-0.3 2,-0.3 0.429 97.2 121.3 74.5 4.6 101.3 79.5 13.4 4 4 A K E < -A 77 0A 31 -3,-1.6 10,-2.3 10,-0.3 2,-0.4 -0.745 57.5-136.0 -96.6 140.3 98.4 80.1 15.8 5 5 A V E -AB 76 13A 0 71,-2.6 70,-3.3 -2,-0.3 71,-1.1 -0.858 26.1-176.3-100.3 135.3 95.5 77.7 15.8 6 6 A Y E -AB 74 12A 22 6,-2.5 6,-1.9 -2,-0.4 2,-0.2 -0.785 15.0-141.1-123.6 170.1 91.9 79.0 15.9 7 7 A T 0 0 38 66,-1.0 65,-3.7 -2,-0.3 4,-0.2 -0.594 360.0 360.0-114.9-169.5 88.3 77.8 16.1 8 8 A Y 0 0 132 2,-0.3 65,-0.5 63,-0.2 -1,-0.2 -0.029 360.0 360.0-100.8 360.0 85.0 78.8 14.4 9 ! 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 10 15 A R 0 0 174 0, 0.0 -2,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 103.8 86.6 72.7 14.2 11 16 A L + 0 0 22 20,-0.4 20,-2.3 -4,-0.2 2,-0.3 -0.660 360.0 173.9 -99.0 151.6 90.3 73.7 14.5 12 17 A F E -BC 6 30A 4 -6,-1.9 -6,-2.5 18,-0.3 2,-0.5 -0.992 26.1-127.7-153.1 150.0 92.7 75.2 11.9 13 18 A V E -BC 5 29A 0 16,-2.8 16,-2.2 -2,-0.3 2,-0.6 -0.902 20.0-134.7-102.9 125.4 96.2 76.5 11.7 14 19 A D E + C 0 28A 0 -10,-2.3 -11,-3.3 -2,-0.5 -10,-0.3 -0.654 30.6 169.7 -76.1 118.3 96.9 80.0 10.2 15 20 A V + 0 0 0 12,-2.0 2,-0.2 -2,-0.6 13,-0.2 0.310 35.7 111.7-115.3 6.5 99.9 79.5 7.9 16 21 A Q S S- 0 0 0 11,-0.9 179,-0.2 1,-0.1 -14,-0.2 -0.560 76.7 -95.7 -83.1 147.1 99.9 82.8 6.0 17 22 A S - 0 0 8 177,-2.7 3,-0.5 -2,-0.2 179,-0.1 -0.208 19.9-136.3 -58.1 147.6 102.6 85.3 6.5 18 23 A D S S+ 0 0 80 1,-0.2 -1,-0.1 177,-0.1 178,-0.1 0.613 104.2 62.3 -80.9 -11.4 102.0 88.1 9.0 19 24 A I S S+ 0 0 121 174,-0.1 2,-0.7 1,-0.1 -1,-0.2 0.637 92.5 75.2 -88.1 -11.8 103.5 90.6 6.5 20 25 A I - 0 0 18 -3,-0.5 2,-0.6 174,-0.2 -1,-0.1 -0.870 60.6-172.4-108.8 108.4 100.8 89.8 3.9 21 26 A D + 0 0 125 -2,-0.7 3,-0.1 1,-0.2 5,-0.1 -0.890 12.1 170.5-100.1 118.3 97.3 91.3 4.6 22 27 A T - 0 0 27 -2,-0.6 -1,-0.2 3,-0.5 4,-0.1 0.908 40.5-150.0 -63.8 -44.4 94.7 90.0 2.1 23 28 A P + 0 0 101 0, 0.0 -1,-0.4 0, 0.0 45,-0.1 -0.978 69.6 40.3-100.0 -21.1 93.0 91.5 4.1 24 29 A G S S+ 0 0 39 -3,-0.1 44,-2.2 43,-0.1 45,-0.4 0.548 114.7 42.7 -65.4 -12.5 89.6 89.9 4.3 25 30 A R E - D 0 67A 82 42,-0.3 -3,-0.5 43,-0.1 2,-0.3 -0.800 63.9-152.5-128.0 176.4 90.8 86.2 4.2 26 31 A R E - D 0 66A 22 40,-1.8 40,-2.3 -2,-0.3 2,-0.4 -0.994 24.1-114.7-154.3 133.8 93.6 84.1 5.6 27 32 A M E + D 0 65A 0 -2,-0.3 -12,-2.0 38,-0.2 -11,-0.9 -0.621 46.0 176.2 -73.4 131.9 95.4 80.9 4.4 28 33 A V E -CD 14 64A 4 36,-2.6 36,-2.4 -2,-0.4 -14,-0.2 -0.919 30.6-149.7-141.2 150.6 94.6 78.1 6.8 29 34 A I E -C 13 0A 0 -16,-2.2 -16,-2.8 -2,-0.3 31,-0.1 -0.974 27.6-132.7-121.7 116.5 95.2 74.3 7.2 30 35 A P E -C 12 0A 23 0, 0.0 29,-2.9 0, 0.0 2,-0.4 -0.324 15.0-138.2 -69.1 152.2 92.5 72.3 9.0 31 36 A L E -L 58 0B 12 -20,-2.3 -20,-0.4 27,-0.2 2,-0.3 -0.875 16.2-169.2-109.8 144.6 93.3 69.9 11.8 32 37 A A E -L 57 0B 26 25,-2.3 25,-3.5 -2,-0.4 2,-0.2 -0.941 38.3 -87.1-131.2 151.9 91.8 66.5 12.3 33 38 A S E > -L 56 0B 24 -2,-0.3 3,-1.7 23,-0.2 4,-0.3 -0.410 34.0-133.0 -59.3 127.5 92.0 64.1 15.2 34 39 A A G > S+ 0 0 21 21,-1.9 3,-1.0 1,-0.3 -1,-0.1 0.708 101.5 68.6 -56.2 -22.9 95.1 61.9 14.9 35 40 A R G 3 S+ 0 0 194 20,-0.3 -1,-0.3 1,-0.2 21,-0.1 0.826 88.4 65.3 -66.4 -31.6 93.0 58.8 15.7 36 41 A L G < S+ 0 0 133 -3,-1.7 2,-0.4 2,-0.0 -1,-0.2 0.671 101.1 55.6 -64.8 -19.9 91.1 59.1 12.3 37 42 A L S < S- 0 0 41 -3,-1.0 2,-0.0 -4,-0.3 -5,-0.0 -0.939 84.3-126.7-117.6 139.7 94.4 58.5 10.4 38 43 A S > - 0 0 60 -2,-0.4 3,-1.3 1,-0.1 -2,-0.0 -0.313 29.9-109.6 -75.3 165.5 96.6 55.4 10.7 39 44 A D T 3 S+ 0 0 130 1,-0.2 4,-0.1 -4,-0.1 -1,-0.1 0.377 109.2 79.7 -80.4 8.9 100.3 56.0 11.4 40 45 A K T 3 S+ 0 0 180 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.626 71.6 99.2 -83.5 -18.3 101.1 54.8 7.8 41 46 A V S < S- 0 0 42 -3,-1.3 5,-0.0 1,-0.1 -4,-0.0 -0.594 94.1 -92.2 -73.3 129.3 100.1 58.2 6.5 42 47 A S > - 0 0 51 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 -0.074 28.9-163.1 -43.8 123.4 103.2 60.5 5.9 43 48 A R T 4 S+ 0 0 140 2,-0.2 5,-0.2 1,-0.2 -1,-0.2 0.502 90.5 62.0 -87.0 -5.8 104.0 62.6 8.9 44 49 A E T 4 S+ 0 0 144 2,-0.2 47,-0.2 3,-0.1 -1,-0.2 0.828 115.1 29.5 -85.3 -36.8 106.1 64.8 6.6 45 50 A L T 4 S+ 0 0 14 1,-0.2 15,-0.4 46,-0.1 -2,-0.2 0.766 135.8 32.5 -90.8 -29.5 103.1 65.8 4.5 46 51 A Y S < S- 0 0 27 -4,-1.6 -1,-0.2 13,-0.1 -2,-0.2 -0.609 85.6-162.5-126.5 73.0 100.7 65.5 7.4 47 52 A P - 0 0 3 0, 0.0 11,-2.4 0, 0.0 2,-0.5 -0.105 16.1-125.1 -58.0 149.6 102.5 66.5 10.6 48 53 A V E -M 57 0B 13 9,-0.2 2,-0.3 -5,-0.2 9,-0.2 -0.880 30.4-174.9 -98.7 124.1 101.2 65.5 14.1 49 54 A V E -M 56 0B 1 7,-3.0 7,-3.0 -2,-0.5 2,-0.5 -0.849 17.8-133.3-118.0 157.3 100.7 68.4 16.5 50 55 A H E +M 55 0B 120 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.947 24.9 168.6-117.4 125.5 99.7 68.4 20.2 51 56 A I E > -M 54 0B 19 3,-2.0 3,-1.2 -2,-0.5 2,-0.2 -0.965 68.4 -29.3-136.0 117.1 97.1 70.8 21.6 52 57 A G T 3 S- 0 0 74 -2,-0.4 24,-0.0 1,-0.2 0, 0.0 -0.554 123.1 -34.6 72.6-139.9 95.8 70.2 25.1 53 58 A D T 3 S+ 0 0 172 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.045 121.0 89.1-104.7 30.2 96.0 66.4 25.9 54 59 A E E < - M 0 51B 92 -3,-1.2 -3,-2.0 -20,-0.0 2,-0.4 -0.899 68.2-130.5-128.2 152.9 95.2 65.4 22.3 55 60 A S E - M 0 50B 44 -2,-0.3 -21,-1.9 -5,-0.2 2,-0.3 -0.812 25.3-169.8 -99.8 140.4 97.1 64.7 19.1 56 61 A W E -LM 33 49B 44 -7,-3.0 -7,-3.0 -2,-0.4 2,-0.4 -0.963 16.4-137.3-132.8 148.9 96.0 66.3 15.8 57 62 A R E -LM 32 48B 4 -25,-3.5 -25,-2.3 -2,-0.3 2,-0.7 -0.871 19.9-130.4-104.1 133.8 97.0 65.8 12.1 58 63 A M E -L 31 0B 0 -11,-2.4 2,-1.9 -2,-0.4 -27,-0.2 -0.804 15.3-147.0 -83.7 115.5 97.5 68.9 9.9 59 64 A M > + 0 0 33 -29,-2.9 3,-2.3 -2,-0.7 -13,-0.1 -0.501 27.6 172.1 -84.7 71.2 95.4 68.1 6.8 60 65 A T G > + 0 0 0 -2,-1.9 3,-1.6 -15,-0.4 -1,-0.2 0.837 69.5 58.4 -47.9 -47.5 97.9 70.0 4.5 61 66 A T G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.450 100.7 60.0 -68.4 0.1 96.2 68.9 1.3 62 67 A D G < S+ 0 0 58 -3,-2.3 -1,-0.3 -32,-0.2 -2,-0.2 0.077 73.8 151.2-115.2 23.8 93.0 70.6 2.4 63 68 A M < + 0 0 1 -3,-1.6 104,-0.6 -34,-0.1 2,-0.3 -0.152 20.8 176.1 -52.7 146.0 94.5 74.0 2.8 64 69 A A E -DE 28 166A 34 -36,-2.4 -36,-2.6 102,-0.2 2,-0.6 -0.995 37.5-111.9-157.5 157.4 91.9 76.8 2.3 65 70 A S E -D 27 0A 14 100,-0.6 -38,-0.2 -2,-0.3 99,-0.0 -0.834 38.2-171.8 -92.0 119.2 91.3 80.6 2.3 66 71 A V E -D 26 0A 14 -40,-2.3 -40,-1.8 -2,-0.6 2,-0.2 -0.923 27.0-112.0-116.2 137.1 88.9 81.4 5.2 67 72 A P E > -D 25 0A 39 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.509 24.8-125.9 -69.2 138.4 87.4 84.8 5.7 68 73 A V G > S+ 0 0 69 -44,-2.2 3,-1.1 1,-0.3 -43,-0.1 0.746 104.1 69.6 -56.0 -27.3 88.7 86.5 8.9 69 74 A S G 3 S+ 0 0 113 -45,-0.4 -1,-0.3 1,-0.3 -44,-0.1 0.614 99.6 50.3 -68.7 -9.4 85.2 87.1 10.3 70 75 A V G < S+ 0 0 53 -3,-2.0 2,-0.7 2,-0.0 -1,-0.3 0.505 82.2 105.0-104.4 -9.9 84.9 83.3 10.9 71 76 A I < - 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