==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 28-DEC-10 3Q5K . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN 83-1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR A.K.WERNIMONT,W.TEMPEL,Y.H.LIN,A.HUTCHINSON,F.MACKENZIE,A.FA . 213 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 13 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 0 0 0 0 0 2 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 3 0 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 . 0 0 0 0 0 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 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 -4 A L 0 0 220 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.9 -0.7 -16.6 40.5 2 -3 A Y + 0 0 228 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.297 360.0 132.1 -92.8 8.3 -4.2 -17.9 41.3 3 -2 A F - 0 0 113 1,-0.1 3,-0.1 160,-0.0 159,-0.0 -0.420 33.5-179.4 -66.5 125.4 -5.8 -15.4 38.8 4 -1 A Q - 0 0 172 1,-0.4 160,-0.4 -2,-0.2 2,-0.3 0.726 55.4 -76.5 -96.2 -33.1 -8.4 -16.8 36.4 5 0 A G - 0 0 31 157,-0.2 -1,-0.4 158,-0.1 2,-0.3 -0.913 38.8-104.2 155.8 178.7 -9.2 -13.6 34.5 6 1 A M E -A 161 0A 78 155,-2.7 155,-2.3 -2,-0.3 2,-0.4 -0.970 10.7-157.6-139.4 155.7 -10.9 -10.2 34.5 7 2 A T E -A 160 0A 88 -2,-0.3 2,-0.4 153,-0.2 153,-0.2 -0.997 7.6-164.5-134.5 123.4 -14.0 -8.5 32.9 8 3 A E E -A 159 0A 54 151,-2.8 151,-2.4 -2,-0.4 2,-0.4 -0.863 11.5-148.9-106.2 142.1 -14.3 -4.7 32.5 9 4 A T E -A 158 0A 97 -2,-0.4 2,-0.3 149,-0.2 149,-0.2 -0.975 16.6-179.7-119.5 128.1 -17.8 -3.3 31.8 10 5 A F E -A 157 0A 67 147,-2.7 147,-2.5 -2,-0.4 2,-0.3 -0.926 25.9-127.6-125.2 150.1 -18.3 -0.1 29.7 11 6 A A E -A 156 0A 78 -2,-0.3 145,-0.3 145,-0.2 2,-0.1 -0.753 33.6-117.6 -90.3 138.2 -21.4 1.8 28.6 12 7 A F - 0 0 16 143,-2.5 -1,-0.0 -2,-0.3 81,-0.0 -0.438 35.6 -96.2 -69.1 157.2 -21.7 2.5 24.8 13 8 A Q > - 0 0 45 1,-0.1 4,-2.0 -2,-0.1 5,-0.1 -0.263 42.8-105.1 -65.5 158.8 -21.6 6.1 23.5 14 9 A A H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.916 118.5 50.9 -56.9 -42.9 -25.2 7.4 23.0 15 10 A E H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.943 110.4 47.0 -59.4 -54.0 -25.0 7.2 19.2 16 11 A I H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 110.0 55.9 -58.1 -37.2 -23.8 3.6 19.0 17 12 A N H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.921 108.1 46.7 -62.9 -43.0 -26.5 2.7 21.5 18 13 A Q H X S+ 0 0 129 -4,-2.0 4,-2.6 -3,-0.2 -2,-0.2 0.876 111.5 52.0 -64.8 -39.8 -29.2 4.1 19.2 19 14 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.899 110.4 48.6 -60.0 -45.8 -27.6 2.2 16.2 20 15 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.903 112.3 47.1 -63.7 -43.9 -27.7 -1.1 18.1 21 16 A S H X S+ 0 0 43 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.896 114.4 49.0 -66.1 -40.9 -31.4 -0.6 19.2 22 17 A L H X S+ 0 0 68 -4,-2.6 4,-1.6 2,-0.2 3,-0.3 0.953 116.2 41.3 -60.8 -54.4 -32.3 0.3 15.6 23 18 A I H < S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.932 113.9 50.1 -60.9 -52.6 -30.5 -2.7 14.1 24 19 A I H < S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.750 121.0 36.8 -62.2 -23.0 -31.5 -5.3 16.7 25 20 A N H < S+ 0 0 118 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.568 89.5 114.9-105.4 -14.9 -35.2 -4.2 16.3 26 21 A T < - 0 0 39 -4,-1.6 -3,-0.0 -3,-0.4 -4,-0.0 -0.176 57.3-146.7 -61.5 151.9 -35.5 -3.4 12.6 27 22 A F + 0 0 199 4,-0.0 -1,-0.1 2,-0.0 4,-0.1 0.318 41.3 156.5 -99.4 7.2 -37.8 -5.5 10.2 28 23 A Y - 0 0 41 1,-0.1 3,-0.3 -5,-0.1 0, 0.0 -0.008 36.5-148.3 -36.5 123.0 -35.3 -5.0 7.3 29 24 A S S S+ 0 0 106 1,-0.2 2,-0.4 2,-0.1 3,-0.2 0.653 85.7 63.5 -76.3 -24.9 -36.0 -7.9 4.9 30 25 A N > + 0 0 66 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 -0.444 56.3 148.8-103.2 54.4 -32.4 -8.3 3.5 31 26 A K T > + 0 0 26 -2,-0.4 3,-2.1 -3,-0.3 -1,-0.2 0.787 54.1 85.2 -59.3 -29.1 -30.6 -9.3 6.8 32 27 A E T >> + 0 0 59 1,-0.3 3,-1.2 -3,-0.2 4,-0.7 0.569 65.8 85.7 -49.8 -16.2 -28.1 -11.5 4.9 33 28 A I H <> S+ 0 0 19 -3,-1.5 4,-2.4 1,-0.2 -1,-0.3 0.677 71.0 77.9 -60.3 -21.6 -26.0 -8.3 4.4 34 29 A F H <> S+ 0 0 0 -3,-2.1 4,-2.1 93,-0.2 -1,-0.2 0.889 90.8 52.0 -56.2 -42.8 -24.4 -9.0 7.8 35 30 A L H <> S+ 0 0 4 -3,-1.2 4,-3.0 2,-0.2 5,-0.3 0.936 109.2 48.1 -61.0 -49.5 -22.2 -11.7 6.2 36 31 A R H X S+ 0 0 95 -4,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.899 112.5 50.8 -55.0 -46.9 -20.9 -9.4 3.5 37 32 A E H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.854 113.1 43.2 -62.4 -39.5 -20.2 -6.7 6.2 38 33 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.928 115.8 47.6 -74.4 -45.8 -18.2 -9.2 8.4 39 34 A I H X S+ 0 0 8 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.908 112.2 52.6 -59.0 -38.9 -16.3 -10.7 5.5 40 35 A S H X S+ 0 0 18 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.951 110.6 46.1 -62.4 -46.3 -15.7 -7.0 4.3 41 36 A N H X S+ 0 0 51 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.883 112.4 50.7 -58.6 -45.3 -14.3 -6.2 7.8 42 37 A A H X S+ 0 0 2 -4,-2.6 4,-1.6 2,-0.2 3,-0.3 0.896 109.9 50.9 -58.3 -48.1 -12.2 -9.4 7.8 43 38 A S H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.887 107.8 52.0 -58.6 -46.1 -10.8 -8.5 4.3 44 39 A D H X S+ 0 0 79 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.797 108.9 51.4 -62.7 -30.2 -9.8 -4.9 5.5 45 40 A A H X S+ 0 0 16 -4,-1.2 38,-1.9 -3,-0.3 4,-1.4 0.820 110.6 47.5 -75.7 -34.4 -7.9 -6.6 8.4 46 41 A C H X S+ 0 0 0 -4,-1.6 4,-2.3 36,-0.3 -2,-0.2 0.909 111.0 52.2 -71.5 -38.7 -6.0 -8.8 6.0 47 42 A D H X S+ 0 0 76 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.888 107.3 53.5 -60.8 -42.3 -5.3 -5.7 3.8 48 43 A K H X S+ 0 0 85 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.876 111.9 42.6 -61.2 -42.3 -3.9 -3.9 6.9 49 44 A I H X S+ 0 0 6 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.863 116.2 50.3 -74.2 -31.5 -1.5 -6.7 7.8 50 45 A R H X S+ 0 0 126 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.961 110.4 47.2 -67.0 -55.2 -0.6 -7.0 4.0 51 46 A Y H < S+ 0 0 63 -4,-3.3 3,-0.3 1,-0.2 -1,-0.2 0.771 113.7 51.1 -57.8 -28.8 0.1 -3.3 3.6 52 47 A Q H >X S+ 0 0 43 -4,-1.2 4,-1.6 -5,-0.2 3,-1.4 0.917 101.3 59.4 -73.8 -44.6 2.2 -3.5 6.8 53 48 A S H 3< S+ 0 0 43 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.624 89.8 74.3 -59.3 -15.0 4.2 -6.5 5.4 54 49 A L T 3< S+ 0 0 147 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.1 0.174 110.8 27.4 -82.2 13.2 5.3 -4.1 2.5 55 50 A T T <4 S+ 0 0 133 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.442 130.7 31.8-139.9 -39.6 7.6 -2.5 5.2 56 51 A D >< - 0 0 88 -4,-1.6 3,-1.1 1,-0.1 -1,-0.2 -0.972 56.6-161.6-131.2 117.7 8.4 -5.3 7.6 57 52 A P T 3 S+ 0 0 121 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.667 81.0 82.3 -70.9 -15.4 8.6 -9.0 6.7 58 53 A S T 3 0 0 90 -5,-0.0 -5,-0.1 0, 0.0 0, 0.0 0.626 360.0 360.0 -63.2 -16.7 8.2 -10.2 10.3 59 54 A V < 0 0 45 -3,-1.1 -9,-0.1 -10,-0.1 -10,-0.1 0.499 360.0 360.0-120.5 360.0 4.3 -9.8 10.0 60 ! 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 61 59 A P 0 0 153 0, 0.0 2,-0.7 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -87.8 1.5 -16.7 6.5 62 60 A R - 0 0 83 2,-0.0 2,-0.3 0, 0.0 19,-0.0 -0.874 360.0-137.2 -96.4 109.2 -1.4 -17.3 4.0 63 61 A L + 0 0 29 -2,-0.7 141,-0.6 -17,-0.1 2,-0.3 -0.537 37.3 157.8 -69.3 123.8 -4.1 -14.7 4.8 64 62 A C E -b 204 0A 52 -2,-0.3 17,-1.0 139,-0.2 2,-0.4 -0.924 36.9-130.7-144.8 169.5 -7.6 -16.2 4.7 65 63 A I E -bC 205 80A 0 139,-2.3 141,-2.7 -2,-0.3 2,-0.4 -0.988 21.9-159.9-124.8 128.5 -11.3 -15.8 6.0 66 64 A R E -bC 206 79A 49 13,-4.0 13,-2.9 -2,-0.4 2,-0.5 -0.927 8.6-160.5-118.2 139.2 -13.2 -18.6 7.6 67 65 A V E -bC 207 78A 0 139,-2.8 141,-2.4 -2,-0.4 11,-0.2 -0.986 16.0-175.6-117.0 114.4 -17.0 -19.0 8.0 68 66 A V E - C 0 77A 38 9,-3.0 9,-1.7 -2,-0.5 141,-0.1 -0.847 7.2-168.4-120.6 100.1 -17.9 -21.5 10.8 69 67 A P E - C 0 76A 22 0, 0.0 7,-0.2 0, 0.0 2,-0.2 -0.418 1.2-167.6 -77.6 159.1 -21.5 -22.5 11.5 70 68 A D E >> - C 0 75A 53 5,-1.4 5,-1.8 -2,-0.1 4,-1.3 -0.692 9.8-176.5-150.1 88.4 -22.3 -24.5 14.7 71 69 A K T 45S+ 0 0 82 1,-0.2 -1,-0.1 3,-0.2 5,-0.0 0.763 84.2 60.3 -58.9 -27.0 -25.8 -26.0 14.8 72 70 A E T 45S+ 0 0 89 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.940 117.4 26.9 -66.5 -52.8 -25.1 -27.3 18.4 73 71 A N T 45S- 0 0 115 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.498 105.4-125.2 -89.3 -2.2 -24.5 -23.9 20.0 74 72 A K T <5 + 0 0 28 -4,-1.3 103,-1.6 1,-0.2 2,-0.3 0.918 66.5 134.4 55.4 46.5 -26.7 -22.1 17.3 75 73 A T E < -CD 70 176A 9 -5,-1.8 -5,-1.4 101,-0.2 2,-0.4 -0.946 47.4-153.2-126.4 151.7 -23.8 -19.8 16.5 76 74 A L E -CD 69 175A 1 99,-2.4 99,-2.9 -2,-0.3 2,-0.4 -0.989 15.9-162.0-124.6 129.7 -22.1 -18.4 13.3 77 75 A T E -CD 68 174A 14 -9,-1.7 -9,-3.0 -2,-0.4 2,-0.5 -0.917 13.8-164.0-117.0 137.3 -18.4 -17.4 13.4 78 76 A V E -CD 67 173A 3 95,-2.3 95,-2.2 -2,-0.4 2,-0.4 -0.973 22.3-174.3-117.4 106.8 -16.4 -15.2 10.9 79 77 A E E +CD 66 172A 68 -13,-2.9 -13,-4.0 -2,-0.5 2,-0.3 -0.894 8.5 170.7-106.7 136.9 -12.7 -15.9 11.6 80 78 A D E -CD 65 171A 18 91,-2.6 91,-1.5 -2,-0.4 -15,-0.2 -0.935 32.7-144.3-136.8 161.4 -9.7 -14.1 10.0 81 79 A N + 0 0 33 -17,-1.0 89,-0.2 -2,-0.3 88,-0.1 -0.218 60.8 125.6-116.4 39.4 -5.9 -14.0 10.6 82 80 A G S S- 0 0 0 89,-0.1 -36,-0.3 -18,-0.1 -37,-0.1 0.296 81.6 -54.6 -76.6-153.7 -5.6 -10.3 9.7 83 81 A I S S- 0 0 56 -38,-1.9 59,-0.6 86,-0.1 87,-0.1 0.707 72.7-150.2 -62.3 -28.7 -4.0 -7.4 11.8 84 82 A G - 0 0 3 57,-0.2 2,-0.4 85,-0.1 57,-0.2 0.074 16.7 -87.8 73.6 169.8 -6.2 -8.1 14.9 85 83 A M - 0 0 43 85,-0.4 56,-0.4 62,-0.1 62,-0.3 -0.963 28.3-139.5-121.4 134.9 -7.3 -5.4 17.5 86 84 A T > - 0 0 27 -2,-0.4 4,-2.0 54,-0.2 5,-0.1 -0.280 38.8 -97.2 -76.9 173.3 -5.4 -4.3 20.6 87 85 A K H > S+ 0 0 48 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.903 126.6 54.2 -58.7 -44.8 -7.3 -3.6 23.9 88 86 A A H > S+ 0 0 60 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.881 107.1 51.9 -59.4 -37.0 -7.4 0.2 23.1 89 87 A D H >>S+ 0 0 57 1,-0.2 5,-2.7 2,-0.2 4,-0.7 0.973 117.3 38.0 -60.2 -52.7 -9.0 -0.7 19.7 90 88 A L H <5S+ 0 0 7 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.852 115.1 51.3 -65.0 -46.2 -11.7 -2.9 21.5 91 89 A V H <5S+ 0 0 21 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.721 117.5 38.8 -66.3 -29.0 -12.3 -0.7 24.6 92 90 A N H <5S- 0 0 102 -4,-1.4 3,-0.3 -3,-0.3 -1,-0.2 0.485 108.1-120.7 -99.3 -8.2 -12.9 2.6 22.5 93 91 A N T <>S- 0 0 20 -4,-0.7 5,-0.8 -3,-0.3 -3,-0.2 0.960 79.7 -48.9 58.7 53.1 -14.9 0.8 19.7 94 92 A L T > 5S+ 0 0 29 -6,-0.3 4,-1.2 -3,-0.3 3,-0.3 -0.414 85.7 9.5 66.1-121.6 -12.6 5.5 18.8 96 94 A T H 3>5S+ 0 0 83 -2,-0.3 4,-1.9 1,-0.2 5,-0.4 0.662 120.2 73.6 -65.4 -20.5 -13.7 8.4 16.6 97 95 A I H <>5S+ 0 0 58 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.942 102.7 34.9 -60.0 -55.4 -14.4 5.8 13.8 98 96 A A H >S+ 0 0 22 -4,-1.2 5,-2.5 -3,-0.5 -2,-0.2 0.887 108.9 49.4 -74.7 -41.7 -28.0 9.0 5.8 109 107 A L H ><5S+ 0 0 45 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.844 108.7 54.2 -63.8 -39.0 -31.0 6.7 6.5 110 108 A E H 3<5S+ 0 0 92 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.935 107.7 51.0 -60.0 -46.0 -33.1 9.7 7.5 111 109 A A T 3<5S- 0 0 92 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.291 139.0 -72.3 -77.8 5.7 -32.3 11.4 4.2 112 110 A G T < 5S+ 0 0 69 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.343 85.7 141.5 122.4 -6.9 -33.4 8.3 2.0 113 111 A G < - 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