==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METALLOCHAPERONE 24-SEP-01 1GMV . COMPND 2 MOLECULE: UREE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA AEROGENES; . AUTHOR H.K.SONG,S.B.MULROONEY,R.HUBER,R.HAUSINGER . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 31 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 0 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 0 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 PARALLEL BRIDGES PER LADDER . 3 1 3 1 2 0 1 1 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 1 3 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 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 0 201 0, 0.0 2,-0.1 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 109.4 -7.4 2.0 58.9 2 2 A L - 0 0 52 37,-0.4 39,-0.9 38,-0.0 2,-0.4 -0.448 360.0-166.3 -71.4 139.7 -4.0 3.7 58.5 3 3 A Y B -a 41 0A 118 37,-0.2 39,-0.2 -2,-0.1 37,-0.1 -0.982 14.8-132.1-134.6 123.4 -3.9 6.5 55.8 4 4 A L + 0 0 6 37,-1.2 39,-0.3 -2,-0.4 54,-0.2 -0.352 35.3 155.0 -69.9 150.5 -0.8 8.2 54.4 5 5 A T + 0 0 11 52,-1.1 53,-0.2 1,-0.4 38,-0.2 0.299 42.8 41.5-136.4 -96.2 -0.6 11.9 54.1 6 6 A Q B -B 57 0B 98 51,-0.5 51,-3.0 38,-0.1 2,-0.6 -0.265 64.3-135.7 -67.2 152.3 2.4 14.3 54.0 7 7 A R - 0 0 87 49,-0.2 49,-0.2 -3,-0.1 2,-0.1 -0.929 20.7-159.3-115.3 110.3 5.5 13.5 52.0 8 8 A L - 0 0 41 -2,-0.6 47,-0.4 47,-0.3 4,-0.0 -0.419 18.9-146.3 -85.9 161.9 8.8 14.1 53.7 9 9 A E S S+ 0 0 184 -2,-0.1 46,-0.1 45,-0.1 -1,-0.1 0.741 77.8 90.0 -94.0 -31.5 12.2 14.7 52.2 10 10 A I S S- 0 0 113 1,-0.1 2,-1.6 44,-0.1 -2,-0.1 -0.570 79.8-133.6 -72.9 114.3 14.1 12.9 55.0 11 11 A P + 0 0 102 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.516 42.0 168.1 -71.8 87.9 14.4 9.2 54.2 12 12 A A - 0 0 40 -2,-1.6 2,-0.2 1,-0.2 52,-0.0 0.383 45.7 -12.6 -78.7-146.2 13.4 7.8 57.6 13 13 A A > - 0 0 42 1,-0.2 3,-0.6 2,-0.0 51,-0.2 -0.380 48.4-158.2 -61.5 120.4 12.6 4.2 58.7 14 14 A A T 3 + 0 0 72 -2,-0.2 -1,-0.2 1,-0.2 52,-0.1 -0.064 60.9 117.8 -88.1 32.8 12.1 2.0 55.7 15 15 A T T 3 S+ 0 0 97 49,-0.2 -1,-0.2 50,-0.1 2,-0.2 0.795 71.4 47.7 -69.9 -29.9 10.1 -0.3 58.0 16 16 A A S < S- 0 0 4 -3,-0.6 2,-0.3 48,-0.6 47,-0.0 -0.603 73.7-177.8-105.4 169.4 6.9 0.3 55.9 17 17 A S - 0 0 23 -2,-0.2 18,-3.5 48,-0.2 19,-1.5 -0.975 19.3-176.8-169.7 154.3 6.5 0.1 52.1 18 18 A V E -c 67 0C 6 48,-2.0 50,-1.3 -2,-0.3 2,-0.5 -0.982 13.6-152.4-152.2 143.2 4.4 0.4 49.0 19 19 A T E +c 68 0C 53 -2,-0.3 50,-0.2 48,-0.2 48,-0.1 -0.951 25.3 159.4-128.0 114.5 5.0 -0.3 45.3 20 20 A L E -c 69 0C 17 48,-1.5 50,-2.3 -2,-0.5 -2,-0.0 -0.878 33.6-115.3-131.2 161.4 3.2 1.6 42.6 21 21 A P > - 0 0 36 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.012 38.6-100.4 -79.4-170.0 3.5 2.5 38.9 22 22 A I T 4 S+ 0 0 22 2,-0.2 28,-0.1 1,-0.1 3,-0.0 0.825 119.1 66.5 -82.1 -33.3 3.9 6.0 37.4 23 23 A D T 4 S+ 0 0 98 1,-0.2 3,-0.4 2,-0.1 -1,-0.1 0.894 111.1 31.8 -51.2 -48.5 0.2 5.9 36.5 24 24 A V T >4 S+ 0 0 33 1,-0.2 3,-1.5 2,-0.1 4,-0.3 0.639 100.3 79.7 -88.5 -16.8 -0.8 5.9 40.1 25 25 A R T 3< S+ 0 0 0 -4,-0.7 25,-1.2 1,-0.3 -1,-0.2 0.213 94.8 51.5 -77.9 20.1 2.1 8.0 41.5 26 26 A V T 3 S+ 0 0 76 -3,-0.4 -1,-0.3 23,-0.1 21,-0.2 0.003 82.5 88.4-140.4 25.3 0.3 11.1 40.3 27 27 A K S < S- 0 0 103 -3,-1.5 2,-0.7 19,-0.1 -2,-0.1 0.623 71.6-154.4 -97.4 -19.7 -3.1 10.5 41.8 28 28 A S S S+ 0 0 20 -4,-0.3 16,-3.0 20,-0.1 2,-0.3 0.117 76.5 40.8 66.1 -23.3 -2.3 12.3 45.1 29 29 A R S S+ 0 0 154 -2,-0.7 2,-0.3 14,-0.2 14,-0.1 -0.852 73.6 107.3-159.3 117.5 -4.9 10.1 46.8 30 30 A V - 0 0 57 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 -0.955 42.9-122.9-170.3 179.8 -5.9 6.5 46.4 31 31 A K + 0 0 88 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.984 32.9 136.8-150.9 137.4 -5.8 3.0 48.2 32 32 A V B -D 40 0D 72 8,-1.0 8,-0.7 -2,-0.3 -2,-0.1 -0.943 60.6 -65.6-163.9 160.1 -4.5 -0.5 47.5 33 33 A T - 0 0 91 -2,-0.3 2,-0.1 6,-0.2 6,-0.1 -0.126 55.1-147.5 -53.0 151.7 -2.6 -3.1 49.6 34 34 A L - 0 0 20 3,-0.5 -16,-0.3 -16,-0.1 5,-0.1 -0.364 20.2-109.1-111.7-168.4 0.9 -2.2 50.6 35 35 A N S S+ 0 0 84 -18,-3.5 -17,-0.2 1,-0.1 4,-0.1 0.815 111.9 59.0 -93.5 -38.0 4.2 -3.9 51.2 36 36 A D S S- 0 0 43 -19,-1.5 2,-0.5 2,-0.2 -1,-0.1 0.559 116.5-115.4 -67.9 -5.5 4.6 -3.6 55.0 37 37 A G S S+ 0 0 42 -20,-0.3 -3,-0.5 1,-0.2 2,-0.3 -0.435 84.7 110.6 104.3 -56.3 1.3 -5.5 54.9 38 38 A R - 0 0 105 -2,-0.5 -2,-0.2 -5,-0.1 -1,-0.2 -0.356 66.5-133.8 -58.9 113.9 -0.9 -2.8 56.4 39 39 A D + 0 0 70 -2,-0.3 -37,-0.4 -6,-0.1 2,-0.3 -0.198 32.8 176.3 -62.5 161.6 -3.3 -1.5 53.7 40 40 A A B -D 32 0D 5 -8,-0.7 -8,-1.0 -39,-0.1 -37,-0.2 -0.977 25.5-132.9-168.3 154.7 -3.7 2.3 53.5 41 41 A G B -a 3 0A 2 -39,-0.9 -37,-1.2 -2,-0.3 2,-0.3 -0.031 31.5-108.5 -93.8-159.2 -5.2 5.2 51.6 42 42 A L + 0 0 32 -39,-0.2 2,-0.2 -11,-0.1 -37,-0.2 -0.998 24.6 178.6-145.0 143.1 -3.6 8.4 50.4 43 43 A L + 0 0 90 -39,-0.3 -14,-0.2 -2,-0.3 -15,-0.1 -0.655 29.8 142.5-141.4 80.5 -3.5 12.2 51.2 44 44 A L - 0 0 6 -16,-3.0 -38,-0.1 -2,-0.2 3,-0.1 -0.949 47.9-108.4-123.9 142.4 -1.2 14.2 48.9 45 45 A P - 0 0 74 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.138 50.8 -74.4 -54.6 177.7 -1.6 17.7 47.4 46 46 A R S S+ 0 0 186 1,-0.2 -19,-0.1 -18,-0.0 -18,-0.1 -0.404 108.2 16.9 -78.3 156.0 -2.3 18.3 43.7 47 47 A G S S+ 0 0 88 -21,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.885 83.2 160.4 50.0 53.5 0.4 18.0 41.0 48 48 A L - 0 0 48 -3,-0.4 2,-0.6 -4,-0.1 -1,-0.2 -0.794 35.0-142.5-107.1 147.9 2.9 15.9 43.0 49 49 A L - 0 0 55 -2,-0.3 2,-0.7 -23,-0.0 -23,-0.1 -0.926 12.3-159.3-110.6 112.9 5.7 13.8 41.7 50 50 A L - 0 0 9 -25,-1.2 2,-0.3 -2,-0.6 -25,-0.1 -0.826 15.0-167.8 -94.7 111.8 6.3 10.6 43.6 51 51 A R > - 0 0 53 -2,-0.7 3,-3.2 4,-0.1 2,-0.4 -0.713 34.4 -91.6-102.8 150.9 9.8 9.2 43.0 52 52 A G T 3 S+ 0 0 39 -2,-0.3 16,-0.2 1,-0.3 3,-0.1 -0.414 120.5 26.7 -58.5 112.4 11.4 5.9 43.9 53 53 A G T 3 S+ 0 0 29 14,-2.1 2,-0.5 -2,-0.4 -1,-0.3 0.069 85.6 135.6 118.9 -20.9 12.8 6.5 47.3 54 54 A D < - 0 0 40 -3,-3.2 13,-1.4 13,-0.2 -1,-0.3 -0.482 46.3-144.5 -66.3 114.1 10.4 9.3 48.3 55 55 A V B -E 66 0E 8 -2,-0.5 -47,-0.3 -47,-0.4 2,-0.3 -0.449 11.8-158.4 -80.9 151.0 9.3 8.7 51.8 56 56 A L - 0 0 4 9,-2.4 2,-0.3 -49,-0.2 9,-0.3 -0.835 9.0-175.6-125.1 163.2 5.8 9.4 53.1 57 57 A S B -B 6 0B 13 -51,-3.0 -52,-1.1 -2,-0.3 -51,-0.5 -0.987 16.2-128.8-156.8 161.5 4.4 10.0 56.6 58 58 A N - 0 0 12 5,-0.7 -54,-0.1 -2,-0.3 -56,-0.0 -0.274 42.8 -88.5-100.9-171.6 1.2 10.6 58.6 59 59 A E S S+ 0 0 141 1,-0.2 -55,-0.0 -2,-0.1 -1,-0.0 0.800 127.3 45.2 -70.0 -30.6 0.0 13.2 61.1 60 60 A E S S- 0 0 146 3,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.745 96.3-140.2 -84.9 -26.1 1.4 11.2 64.0 61 61 A G + 0 0 23 2,-0.1 -2,-0.1 1,-0.1 -1,-0.0 0.480 62.9 128.9 78.9 2.3 4.7 10.4 62.3 62 62 A T + 0 0 88 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.703 69.6 42.1 -61.7 -21.9 4.6 6.9 63.8 63 63 A E - 0 0 32 -48,-0.0 -5,-0.7 2,-0.0 2,-0.3 -0.969 56.0-169.3-132.6 146.5 5.2 5.5 60.3 64 64 A F - 0 0 60 -2,-0.3 -48,-0.6 -51,-0.2 -7,-0.2 -0.688 20.5-173.4-132.1 77.8 7.5 6.3 57.4 65 65 A V - 0 0 3 -2,-0.3 -9,-2.4 -9,-0.3 2,-0.4 -0.186 14.4-135.0 -67.4 165.1 6.4 4.3 54.3 66 66 A Q B -E 55 0E 56 -11,-0.2 -48,-2.0 -52,-0.1 2,-0.4 -0.964 4.3-133.9-127.8 142.9 8.4 4.3 51.1 67 67 A V E -c 18 0C 2 -13,-1.4 -14,-2.1 -2,-0.4 2,-0.4 -0.803 22.4-170.3 -95.4 133.4 7.2 4.6 47.5 68 68 A I E -c 19 0C 56 -50,-1.3 -48,-1.5 -2,-0.4 2,-0.6 -0.988 26.1-122.9-128.9 124.7 8.8 2.1 45.1 69 69 A A E -c 20 0C 10 -2,-0.4 3,-0.1 -50,-0.2 64,-0.1 -0.516 33.2-138.7 -66.9 112.5 8.4 2.4 41.3 70 70 A A - 0 0 23 -50,-2.3 62,-0.6 -2,-0.6 -48,-0.1 -0.288 29.0 -90.5 -68.1 158.0 6.9 -1.0 40.3 71 71 A D E -F 131 0F 103 60,-0.2 2,-0.3 58,-0.1 -1,-0.1 -0.442 50.3-171.4 -68.4 146.4 8.2 -2.7 37.2 72 72 A E E -F 130 0F 23 58,-3.2 58,-1.8 -2,-0.1 2,-0.9 -0.970 35.0 -93.1-139.8 152.9 6.2 -1.7 34.1 73 73 A E E +F 129 0F 121 -2,-0.3 37,-1.6 56,-0.2 2,-0.3 -0.553 63.5 162.3 -69.2 106.9 6.2 -2.9 30.5 74 74 A V E -FG 128 109F 0 54,-2.6 54,-2.2 -2,-0.9 2,-0.5 -0.823 43.0-125.1-127.3 165.0 8.7 -0.6 28.8 75 75 A S E -FG 127 108F 2 33,-3.1 33,-1.4 -2,-0.3 2,-0.5 -0.914 31.3-157.0-105.4 132.9 10.8 -0.3 25.7 76 76 A V E -FG 126 107F 5 50,-2.8 50,-2.2 -2,-0.5 2,-0.5 -0.952 8.8-164.8-119.3 132.4 14.5 0.3 26.6 77 77 A V E -FG 125 106F 0 29,-2.5 29,-2.3 -2,-0.5 2,-0.5 -0.963 8.1-177.6-118.6 120.6 17.0 1.9 24.3 78 78 A R E + G 0 105F 148 46,-0.8 46,-0.4 -2,-0.5 2,-0.3 -0.971 16.7 142.9-119.7 127.3 20.7 1.5 25.1 79 79 A C - 0 0 29 25,-1.3 -2,-0.0 -2,-0.5 44,-0.0 -0.968 44.0-143.7-158.3 147.0 23.5 3.1 23.1 80 80 A D S S+ 0 0 151 -2,-0.3 3,-0.1 1,-0.1 25,-0.1 0.185 80.5 93.8 -99.0 14.2 26.8 4.7 23.9 81 81 A D >> - 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