==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-11 3QVA . COMPND 2 MOLECULE: TRANSTHYRETIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR J.B.FRENCH,S.E.EALICK . 422 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 80.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 40.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 . 54 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 7 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 . 4 8 0 5 5 5 5 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 . 8 0 0 0 0 0 3 1 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 -7 A E 0 0 168 0, 0.0 39,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.5 -0.0 -25.0 -45.5 2 -6 A N - 0 0 128 1,-0.1 2,-0.5 39,-0.0 0, 0.0 -0.255 360.0-120.6 -57.3 147.5 0.8 -28.4 -44.1 3 -5 A L + 0 0 109 36,-0.1 2,-0.3 2,-0.0 38,-0.2 -0.830 51.0 144.7 -89.1 132.0 1.8 -28.9 -40.5 4 -4 A Y B +A 40 0A 76 36,-2.4 36,-2.4 -2,-0.5 2,-0.3 -0.989 24.5 171.8-162.3 151.6 5.2 -30.5 -40.1 5 -3 A F 0 0 94 -2,-0.3 48,-0.2 34,-0.2 34,-0.1 -0.951 360.0 360.0-153.8 166.7 8.4 -30.7 -38.2 6 -2 A Q 0 0 112 46,-0.5 47,-0.1 32,-0.3 -1,-0.0 0.247 360.0 360.0 118.9 360.0 11.6 -33.0 -38.2 7 ! 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 8 1 A M 0 0 109 0, 0.0 2,-0.4 0, 0.0 49,-0.0 0.000 360.0 360.0 360.0 130.2 22.7 -27.6 -30.2 9 2 A S B -I 57 0B 6 48,-2.2 48,-1.6 46,-0.1 84,-0.2 -0.987 360.0-139.4-142.2 126.3 19.6 -25.8 -29.0 10 3 A T - 0 0 52 -2,-0.4 84,-2.7 46,-0.2 2,-0.4 -0.379 22.2-140.4 -75.0 159.0 15.8 -26.7 -28.9 11 4 A L E +j 94 0C 0 82,-0.2 41,-0.7 42,-0.1 2,-0.3 -0.987 23.7 166.8-130.4 132.0 13.3 -24.0 -29.8 12 5 A S E -j 95 0C 12 82,-2.5 84,-2.4 -2,-0.4 2,-0.3 -0.927 11.1-163.0-134.3 161.4 9.9 -23.2 -28.2 13 6 A T E -K 49 0D 2 36,-2.0 36,-2.1 -2,-0.3 2,-0.3 -0.940 8.7-164.2-139.8 167.9 7.3 -20.4 -28.3 14 7 A H E -K 48 0D 7 -2,-0.3 84,-2.3 34,-0.2 2,-0.5 -0.963 12.1-156.9-149.1 128.6 4.3 -19.1 -26.4 15 8 A I E -l 98 0E 0 32,-2.8 9,-2.9 -2,-0.3 2,-0.4 -0.966 9.7-175.4-118.5 122.6 1.9 -16.6 -27.8 16 9 A L E -lM 99 23E 1 82,-2.2 84,-3.0 -2,-0.5 2,-1.0 -0.957 22.8-140.6-115.2 133.3 -0.3 -14.4 -25.6 17 10 A D E >>> -lM 100 22E 2 5,-3.0 4,-2.0 -2,-0.4 5,-1.6 -0.803 18.2-173.9 -89.1 101.3 -2.9 -12.0 -26.8 18 11 A I T 345S+ 0 0 18 82,-2.2 299,-2.0 -2,-1.0 83,-0.2 0.605 76.5 73.1 -76.9 -8.7 -2.4 -9.1 -24.4 19 12 A S T 345S+ 0 0 6 81,-0.8 -1,-0.3 297,-0.2 82,-0.1 0.793 119.7 16.3 -69.9 -25.9 -5.4 -7.4 -25.8 20 13 A T T <45S- 0 0 70 -3,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.516 102.5-121.2-119.7 -14.0 -7.5 -10.0 -23.9 21 14 A G T <5S+ 0 0 13 -4,-2.0 -3,-0.2 1,-0.3 406,-0.0 0.835 73.5 116.1 71.4 34.8 -4.9 -11.4 -21.5 22 15 A T E - 0 0 0 -9,-2.9 3,-0.5 22,-0.2 2,-0.4 -0.792 32.5-164.4 -92.9 106.0 -3.5 -17.3 -28.4 25 18 A E T 3 + 0 0 123 -2,-0.9 19,-0.2 1,-0.2 20,-0.1 -0.780 64.8 21.2 -95.1 133.3 -4.7 -20.7 -29.6 26 19 A G T 3 S+ 0 0 26 17,-1.9 2,-0.5 -2,-0.4 -1,-0.2 0.689 75.8 148.1 88.5 21.5 -4.5 -21.7 -33.3 27 20 A V < - 0 0 0 -3,-0.5 16,-2.3 17,-0.2 2,-0.4 -0.781 44.7-132.3 -86.1 127.4 -1.8 -19.3 -34.5 28 21 A T E -B 42 0A 38 -2,-0.5 39,-3.1 39,-0.3 2,-0.4 -0.672 26.3-174.3 -79.1 132.3 0.3 -20.8 -37.3 29 22 A V E -BC 41 66A 0 12,-2.9 12,-2.7 -2,-0.4 2,-0.3 -0.991 3.7-164.0-132.7 124.6 4.1 -20.4 -36.7 30 23 A S E -BC 40 65A 24 35,-2.5 35,-2.8 -2,-0.4 2,-0.4 -0.810 7.5-151.9-110.0 148.4 6.8 -21.3 -39.1 31 24 A L E +BC 39 64A 0 8,-2.6 7,-3.1 -2,-0.3 8,-1.7 -0.973 21.2 173.5-115.8 131.2 10.5 -21.8 -38.7 32 25 A S E -BC 37 63A 25 31,-2.3 31,-2.1 -2,-0.4 2,-0.4 -0.940 18.7-163.4-133.5 159.2 12.9 -21.2 -41.5 33 26 A R E > S-BC 36 62A 82 3,-2.5 3,-1.8 -2,-0.3 29,-0.2 -0.963 77.8 -17.1-142.3 123.6 16.7 -21.1 -42.1 34 27 A E T 3 S- 0 0 99 27,-0.5 3,-0.1 -2,-0.4 28,-0.1 0.864 129.6 -47.6 48.9 47.6 18.3 -19.5 -45.2 35 28 A G T 3 S+ 0 0 79 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 -0.009 116.3 110.8 90.4 -29.9 15.0 -19.5 -47.2 36 29 A E E < - B 0 33A 56 -3,-1.8 -3,-2.5 1,-0.0 2,-0.4 -0.687 66.0-134.4 -86.0 121.3 14.1 -23.1 -46.4 37 30 A T E - B 0 32A 65 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.636 21.9-178.0 -77.3 125.4 11.2 -23.7 -44.1 38 31 A L E + 0 0 40 -7,-3.1 -32,-0.3 -2,-0.4 2,-0.3 0.701 63.9 4.3 -95.6 -28.0 12.0 -26.2 -41.5 39 32 A A E - B 0 31A 0 -8,-1.7 -8,-2.6 -34,-0.1 2,-0.3 -0.987 47.6-165.2-158.7 150.6 8.7 -26.4 -39.6 40 33 A N E +AB 4 30A 6 -36,-2.4 -36,-2.4 -2,-0.3 -10,-0.2 -0.919 31.1 156.6-142.4 114.9 5.2 -25.1 -39.7 41 34 A L E - B 0 29A 20 -12,-2.7 -12,-2.9 -2,-0.3 2,-0.4 -0.734 32.7-124.9-135.8 176.4 3.1 -25.6 -36.6 42 35 A V E - B 0 28A 50 -14,-0.2 -14,-0.2 -2,-0.2 2,-0.1 -0.990 27.4-111.3-133.0 137.7 0.1 -24.3 -34.6 43 36 A T - 0 0 4 -16,-2.3 -17,-1.9 -2,-0.4 6,-0.2 -0.400 34.1-135.4 -66.2 141.1 -0.2 -23.0 -31.0 44 37 A N > - 0 0 83 4,-2.1 3,-2.3 -19,-0.2 -18,-0.2 -0.052 41.3 -73.3 -81.8-170.7 -2.2 -25.2 -28.7 45 38 A A T 3 S+ 0 0 66 1,-0.3 -20,-0.1 2,-0.1 -2,-0.1 0.727 135.2 52.4 -59.6 -24.1 -4.9 -24.2 -26.1 46 39 A Q T 3 S- 0 0 64 2,-0.1 -1,-0.3 -22,-0.1 -22,-0.2 0.317 120.5-110.1 -93.1 7.0 -2.1 -22.8 -23.9 47 40 A G S < S+ 0 0 0 -3,-2.3 -32,-2.8 -24,-0.2 2,-0.3 0.650 76.7 132.7 77.0 19.0 -0.8 -20.7 -26.8 48 41 A R E -K 14 0D 88 -34,-0.2 -4,-2.1 -6,-0.1 2,-0.4 -0.700 48.8-169.1-114.7 151.0 2.3 -22.9 -26.9 49 42 A I E -K 13 0D 11 -36,-2.1 -36,-2.0 -2,-0.3 3,-0.1 -0.958 15.5-162.5-127.9 114.3 4.5 -24.9 -29.3 50 43 A A - 0 0 86 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.820 68.0 -1.5 -70.1 -34.3 6.8 -27.1 -27.3 51 44 A T - 0 0 43 -39,-0.1 -1,-0.2 -41,-0.1 -39,-0.2 -0.988 42.4-157.7-157.2 148.5 9.4 -27.8 -30.1 52 45 A F S S+ 0 0 2 -41,-0.7 -46,-0.5 -2,-0.3 2,-0.3 0.284 84.2 39.2-107.1 6.9 10.0 -27.0 -33.8 53 46 A S - 0 0 13 -42,-0.2 -42,-0.1 -48,-0.2 -1,-0.1 -0.992 68.5-133.3-156.5 147.4 12.3 -30.0 -34.3 54 47 A A S S+ 0 0 81 -2,-0.3 -1,-0.1 2,-0.1 3,-0.0 0.880 101.2 30.7 -68.4 -40.5 12.6 -33.7 -33.4 55 48 A A S S- 0 0 64 1,-0.1 -49,-0.1 -3,-0.1 -46,-0.1 -0.785 109.1 -77.5-113.0 159.9 16.3 -33.1 -32.5 56 49 A P - 0 0 71 0, 0.0 -46,-0.2 0, 0.0 -1,-0.1 -0.259 54.5-106.9 -57.3 143.7 18.1 -30.0 -31.2 57 50 A L B -I 9 0B 9 -48,-1.6 -48,-2.2 1,-0.1 3,-0.1 -0.460 30.6-123.9 -74.1 141.1 18.7 -27.3 -33.9 58 51 A P - 0 0 70 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.196 41.0 -75.6 -72.6 172.9 22.2 -26.7 -35.2 59 52 A A S S+ 0 0 82 31,-0.2 2,-0.3 30,-0.1 30,-0.0 -0.424 81.9 85.7 -69.5 144.5 24.0 -23.3 -35.1 60 53 A G S S- 0 0 25 -2,-0.1 30,-2.8 -3,-0.1 2,-0.5 -0.937 77.4 -50.9 153.8-173.1 22.9 -20.7 -37.6 61 54 A R E - D 0 89A 162 -2,-0.3 -27,-0.5 28,-0.2 2,-0.3 -0.847 53.6-176.6-102.4 127.7 20.5 -17.9 -38.5 62 55 A Y E -CD 33 88A 6 26,-2.6 26,-2.2 -2,-0.5 2,-0.4 -0.782 19.6-151.1-124.2 162.9 16.8 -18.6 -38.1 63 56 A C E -CD 32 87A 14 -31,-2.1 -31,-2.3 -2,-0.3 2,-0.5 -0.981 6.0-166.8-136.9 118.1 13.4 -16.9 -38.7 64 57 A L E -CD 31 86A 0 22,-2.3 22,-3.1 -2,-0.4 2,-0.5 -0.944 12.3-168.9-102.9 125.4 10.3 -17.6 -36.6 65 58 A T E -CD 30 85A 11 -35,-2.8 -35,-2.5 -2,-0.5 2,-0.5 -0.950 8.7-163.3-124.0 117.7 7.2 -16.2 -38.2 66 59 A A E -CD 29 84A 0 18,-3.1 18,-2.6 -2,-0.5 2,-2.1 -0.832 20.4-137.1 -97.7 128.9 3.8 -16.1 -36.4 67 60 A E > + 0 0 45 -39,-3.1 4,-1.4 -2,-0.5 -39,-0.3 -0.468 46.5 151.3 -84.8 70.6 0.8 -15.5 -38.7 68 61 A T H > + 0 0 4 -2,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.874 63.2 55.2 -74.0 -39.0 -0.8 -13.0 -36.4 69 62 A G H > S+ 0 0 15 13,-0.8 4,-2.4 -3,-0.3 -1,-0.2 0.914 109.6 47.6 -62.1 -43.8 -2.7 -10.9 -38.9 70 63 A A H > S+ 0 0 39 12,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.869 111.3 52.1 -63.7 -39.8 -4.5 -14.0 -40.3 71 64 A W H X S+ 0 0 37 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.923 111.6 45.1 -63.5 -46.3 -5.3 -15.1 -36.7 72 65 A F H ><>S+ 0 0 2 -4,-2.7 5,-2.7 1,-0.2 3,-0.6 0.911 112.4 52.8 -63.7 -41.5 -6.8 -11.7 -35.8 73 66 A A H ><5S+ 0 0 67 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.844 103.3 56.1 -63.1 -38.0 -8.7 -11.6 -39.1 74 67 A R H 3<5S+ 0 0 154 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.763 108.4 49.0 -65.1 -26.7 -10.3 -15.0 -38.5 75 68 A A T <<5S- 0 0 65 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.283 124.6-107.9 -92.0 5.7 -11.7 -13.6 -35.3 76 69 A G T < 5S+ 0 0 71 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.776 76.5 132.4 73.7 30.4 -13.0 -10.6 -37.2 77 70 A R < - 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