==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-SEP-09 3JSF . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.MCLEAN,Y.ZHANG . 350 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 18.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 0 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 0 3 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 3 3 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 3 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 P 0 0 20 0, 0.0 37,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.5 11.2 -35.3 -23.0 2 2 A M E -aB 38 62A 18 60,-2.3 60,-2.6 35,-0.2 2,-0.4 -0.991 360.0-164.3-148.8 125.5 9.5 -35.4 -19.6 3 3 A F E -aB 39 61A 0 35,-2.6 37,-2.0 -2,-0.4 2,-0.4 -0.964 3.8-173.1-123.1 129.6 6.0 -34.2 -18.6 4 4 A I E -aB 40 60A 16 56,-2.3 56,-1.9 -2,-0.4 2,-0.5 -0.972 2.8-167.9-121.8 131.9 4.7 -33.6 -15.1 5 5 A V E -aB 41 59A 0 35,-2.8 37,-3.3 -2,-0.4 2,-0.5 -0.979 1.9-173.0-119.6 120.0 1.1 -32.7 -14.1 6 6 A N E +aB 42 58A 38 52,-2.4 52,-2.6 -2,-0.5 2,-0.3 -0.953 21.1 161.0-108.4 126.3 0.2 -31.5 -10.6 7 7 A T E - B 0 57A 0 35,-2.7 38,-2.6 -2,-0.5 50,-0.2 -0.973 48.9-137.1-146.7 155.2 -3.5 -31.1 -10.0 8 8 A N S S+ 0 0 33 48,-0.9 49,-0.1 -2,-0.3 3,-0.1 0.373 71.5 116.1 -92.0 2.2 -6.1 -30.9 -7.2 9 9 A V S S- 0 0 8 47,-0.4 35,-2.4 1,-0.1 36,-0.2 -0.522 77.8-102.9 -68.5 137.1 -8.4 -33.3 -9.1 10 10 A P > - 0 0 62 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.277 20.7-119.0 -67.4 150.3 -8.8 -36.5 -7.1 11 11 A R G > S+ 0 0 119 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.849 112.9 62.4 -56.5 -36.4 -6.9 -39.7 -8.0 12 12 A A G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.767 97.1 59.0 -61.7 -25.0 -10.1 -41.5 -8.6 13 13 A S G < S+ 0 0 62 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.512 79.9 100.7 -84.4 -4.8 -10.9 -39.0 -11.4 14 14 A V S < S- 0 0 23 -3,-1.9 73,-0.1 -4,-0.3 3,-0.1 -0.743 75.5-133.7 -82.0 112.5 -7.7 -40.0 -13.3 15 15 A P > - 0 0 47 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.307 20.7 -97.5 -71.0 145.9 -8.9 -42.4 -16.0 16 16 A D T 3 S+ 0 0 173 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.367 113.0 32.0 -52.0 135.7 -7.3 -45.7 -16.9 17 17 A G T 3> S+ 0 0 45 -3,-0.1 4,-2.6 4,-0.0 -1,-0.2 0.301 81.8 118.9 98.5 -8.7 -5.0 -45.1 -19.9 18 18 A F H <> S+ 0 0 4 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.923 75.9 44.2 -63.0 -48.8 -4.1 -41.5 -19.0 19 19 A L H > S+ 0 0 25 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 116.0 48.8 -62.2 -41.3 -0.3 -42.0 -18.6 20 20 A S H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.867 110.8 50.0 -67.3 -37.1 -0.2 -44.1 -21.8 21 21 A E H X S+ 0 0 42 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.913 111.2 48.9 -68.9 -42.1 -2.2 -41.5 -23.8 22 22 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.925 112.2 49.5 -59.0 -45.2 0.1 -38.7 -22.5 23 23 A T H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.938 114.0 44.5 -60.1 -49.1 3.1 -40.8 -23.5 24 24 A Q H X S+ 0 0 111 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.900 115.2 46.8 -63.9 -43.7 1.8 -41.6 -27.0 25 25 A Q H X S+ 0 0 55 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.855 112.6 50.0 -70.0 -34.9 0.6 -38.0 -27.7 26 26 A L H X S+ 0 0 1 -4,-2.4 4,-2.9 -5,-0.2 6,-0.4 0.890 108.8 51.8 -70.5 -39.9 3.9 -36.6 -26.5 27 27 A A H X S+ 0 0 12 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.935 113.6 45.8 -57.9 -46.3 5.9 -39.0 -28.7 28 28 A Q H < S+ 0 0 154 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.951 117.1 42.7 -60.5 -50.6 3.8 -37.8 -31.6 29 29 A A H < S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.837 123.1 35.5 -71.7 -35.8 4.1 -34.1 -30.8 30 30 A T H < S- 0 0 6 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.646 99.3-131.4 -91.9 -16.5 7.8 -34.0 -29.9 31 31 A G < + 0 0 65 -4,-1.7 -4,-0.1 -5,-0.4 -3,-0.1 0.371 62.5 134.0 81.6 -5.9 8.8 -36.6 -32.5 32 32 A K - 0 0 41 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.463 66.0 -97.3 -77.4 147.8 10.8 -38.5 -29.9 33 33 A P >> - 0 0 57 0, 0.0 3,-2.5 0, 0.0 4,-0.6 -0.368 30.7-117.6 -65.3 144.4 10.4 -42.3 -29.6 34 34 A P G >4 S+ 0 0 73 0, 0.0 3,-0.7 0, 0.0 250,-0.2 0.753 111.4 68.8 -53.8 -27.6 8.0 -43.5 -26.9 35 35 A Q G 34 S+ 0 0 152 1,-0.2 251,-0.1 249,-0.1 250,-0.0 0.742 98.3 51.3 -65.6 -23.4 10.9 -45.2 -25.1 36 36 A Y G <4 S+ 0 0 119 -3,-2.5 -1,-0.2 248,-0.1 2,-0.2 0.741 88.7 102.2 -78.9 -26.9 12.3 -41.8 -24.2 37 37 A I << - 0 0 0 -3,-0.7 247,-2.6 -4,-0.6 248,-0.6 -0.428 47.6-171.0 -82.2 129.7 9.2 -40.3 -22.7 38 38 A A E -aC 2 283A 0 -37,-1.8 -35,-2.6 245,-0.2 2,-0.4 -0.956 5.5-173.8-114.2 134.5 8.6 -40.0 -19.0 39 39 A V E -aC 3 282A 0 243,-2.6 243,-2.8 -2,-0.4 2,-0.4 -0.975 4.9-175.8-129.6 143.9 5.2 -38.9 -17.6 40 40 A H E -aC 4 281A 6 -37,-2.0 -35,-2.8 -2,-0.4 2,-0.5 -0.976 3.7-168.7-145.7 118.9 4.3 -38.2 -14.0 41 41 A V E -aC 5 280A 0 239,-2.5 239,-0.7 -2,-0.4 -35,-0.2 -0.947 0.7-169.9-116.7 128.1 0.8 -37.3 -12.7 42 42 A V E -a 6 0A 13 -37,-3.3 -35,-2.7 -2,-0.5 3,-0.3 -0.866 13.3-178.3-123.8 96.6 0.2 -36.0 -9.2 43 43 A P + 0 0 4 0, 0.0 -35,-0.2 0, 0.0 237,-0.0 -0.225 56.1 40.8 -82.0 173.7 -3.4 -35.9 -8.1 44 44 A D S S+ 0 0 80 -35,-2.4 -36,-0.3 1,-0.2 2,-0.1 0.723 76.8 163.2 65.1 27.1 -5.1 -34.7 -4.9 45 45 A Q - 0 0 34 -38,-2.6 2,-1.0 -3,-0.3 -1,-0.2 -0.459 45.5-119.4 -84.2 150.6 -2.9 -31.6 -4.6 46 46 A L E +H 157 0B 63 111,-0.6 111,-2.5 -2,-0.1 2,-0.3 -0.778 58.1 146.8 -87.5 102.8 -3.6 -28.6 -2.4 47 47 A M E -H 156 0B 3 -2,-1.0 2,-0.3 109,-0.2 109,-0.2 -0.951 36.2-162.7-140.7 153.3 -3.7 -25.8 -5.0 48 48 A A E -H 155 0B 5 107,-2.5 107,-2.6 -2,-0.3 2,-0.4 -0.990 4.2-167.4-133.8 148.1 -5.4 -22.5 -5.8 49 49 A F E > S-HI 154 52B 7 3,-2.7 3,-1.6 -2,-0.3 105,-0.2 -0.986 83.5 -8.6-134.8 119.0 -5.5 -20.8 -9.2 50 50 A G T 3 S- 0 0 29 103,-2.7 104,-0.1 -2,-0.4 101,-0.1 0.813 129.9 -59.8 58.5 30.0 -6.6 -17.1 -9.2 51 51 A G T 3 S+ 0 0 40 102,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.465 117.9 107.4 81.5 0.1 -7.5 -17.6 -5.5 52 52 A S B < -I 49 0B 43 -3,-1.6 -3,-2.7 99,-0.1 -1,-0.2 -0.869 60.4-150.5-114.4 146.3 -10.0 -20.4 -6.3 53 53 A S + 0 0 87 -2,-0.3 3,-0.1 -5,-0.2 -6,-0.1 0.071 53.2 128.1-105.0 24.0 -9.7 -24.1 -5.7 54 54 A E S S- 0 0 124 -5,-0.2 -46,-0.1 1,-0.2 -5,-0.1 -0.289 81.8 -55.8 -61.5 163.9 -11.8 -25.3 -8.6 55 55 A P S S+ 0 0 49 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.159 77.5 151.9 -49.9 132.0 -10.0 -27.9 -10.8 56 56 A C - 0 0 1 -3,-0.1 -48,-0.9 33,-0.1 -47,-0.4 -0.946 28.2-147.1-152.4 168.9 -6.6 -26.6 -12.1 57 57 A A E -Bd 7 94A 0 36,-2.2 38,-2.3 -2,-0.3 2,-0.5 -0.997 6.5-160.4-146.7 141.8 -3.3 -27.9 -13.1 58 58 A L E +Bd 6 95A 4 -52,-2.6 -52,-2.4 -2,-0.3 2,-0.3 -0.992 30.2 175.1-119.0 123.8 0.4 -26.8 -12.9 59 59 A C E -Bd 5 96A 5 36,-3.1 38,-2.8 -2,-0.5 2,-0.3 -0.784 21.4-158.3-128.7 162.8 2.6 -28.6 -15.4 60 60 A S E -Bd 4 97A 18 -56,-1.9 -56,-2.3 -2,-0.3 2,-0.4 -0.995 1.2-164.5-140.4 146.1 6.1 -28.8 -16.8 61 61 A L E -Bd 3 98A 0 36,-2.5 38,-2.7 -2,-0.3 2,-0.4 -0.976 8.4-170.3-127.0 116.9 7.5 -30.1 -20.0 62 62 A H E +Bd 2 99A 13 -60,-2.6 -60,-2.3 -2,-0.4 2,-0.3 -0.868 15.5 163.6 -99.5 140.1 11.3 -30.6 -20.3 63 63 A S E - d 0 100A 2 36,-2.1 38,-2.9 -2,-0.4 2,-1.2 -0.984 44.9-122.4-154.3 145.0 12.8 -31.5 -23.6 64 64 A I S S- 0 0 57 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.766 91.8 -34.7 -83.8 99.0 16.2 -31.5 -25.3 65 65 A G S S+ 0 0 25 -2,-1.2 36,-0.2 36,-0.3 3,-0.1 -0.235 102.6 98.0 72.9-172.8 15.3 -29.1 -28.1 66 66 A K + 0 0 100 1,-0.2 2,-0.5 34,-0.1 -1,-0.1 0.729 63.0 120.3 62.4 22.2 11.8 -29.1 -29.7 67 67 A I + 0 0 19 -4,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.980 35.5 106.6-117.1 127.5 11.1 -26.1 -27.4 68 68 A G S > S- 0 0 18 -2,-0.5 4,-3.2 152,-0.2 5,-0.3 -0.984 73.9 -64.2 177.1 177.1 10.1 -22.9 -29.1 69 69 A G H > S+ 0 0 32 -2,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.903 124.9 25.4 -49.1 -67.0 7.5 -20.3 -29.9 70 70 A A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 121.5 56.0 -71.2 -36.6 5.1 -22.2 -32.3 71 71 A Q H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.918 107.4 49.1 -61.1 -43.6 6.0 -25.7 -30.9 72 72 A N H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.864 108.6 52.4 -66.6 -36.8 5.1 -24.6 -27.4 73 73 A R H X S+ 0 0 65 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.902 110.8 49.4 -65.0 -37.7 1.7 -23.2 -28.5 74 74 A S H X S+ 0 0 73 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.916 109.8 50.2 -65.5 -43.6 1.1 -26.5 -30.2 75 75 A Y H X S+ 0 0 5 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.899 108.9 53.1 -59.7 -40.6 2.0 -28.5 -27.0 76 76 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 150,-0.4 0.899 108.6 48.4 -65.0 -40.6 -0.3 -26.3 -25.0 77 77 A K H X S+ 0 0 151 -4,-1.9 4,-2.1 149,-0.4 -1,-0.2 0.954 115.7 45.5 -62.2 -48.3 -3.3 -27.0 -27.3 78 78 A L H X S+ 0 0 39 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.942 118.6 40.0 -58.4 -51.1 -2.5 -30.7 -27.1 79 79 A L H X S+ 0 0 1 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.886 116.0 48.7 -76.2 -39.3 -2.0 -30.9 -23.4 80 80 A C H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.882 109.9 54.9 -63.0 -37.7 -4.8 -28.5 -22.4 81 81 A G H X S+ 0 0 35 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.925 111.0 44.3 -60.6 -43.6 -7.1 -30.5 -24.7 82 82 A L H X S+ 0 0 16 -4,-1.9 4,-2.9 2,-0.2 5,-0.5 0.883 112.7 50.1 -69.3 -39.9 -6.2 -33.7 -22.9 83 83 A L H X S+ 0 0 1 -4,-2.3 6,-1.7 2,-0.2 4,-1.5 0.864 112.9 47.6 -69.5 -34.1 -6.5 -32.3 -19.4 84 84 A A H X S+ 0 0 35 -4,-2.2 4,-0.8 4,-0.3 -2,-0.2 0.938 118.1 40.2 -69.4 -46.2 -9.9 -30.9 -20.3 85 85 A E H < S+ 0 0 138 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.908 128.2 29.1 -71.0 -43.1 -11.2 -34.1 -21.8 86 86 A R H < S+ 0 0 95 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.826 135.5 24.1 -92.1 -35.4 -9.7 -36.5 -19.3 87 87 A L H < S- 0 0 6 -4,-1.5 -3,-0.2 -5,-0.5 -2,-0.2 0.390 96.3-125.4-112.8 -0.0 -9.5 -34.6 -16.1 88 88 A R < + 0 0 219 -4,-0.8 2,-0.5 -5,-0.2 -4,-0.3 0.858 56.1 152.4 57.7 38.4 -12.3 -32.0 -16.8 89 89 A I - 0 0 1 -6,-1.7 -1,-0.2 -9,-0.1 -2,-0.1 -0.885 48.2-120.0-100.7 126.9 -9.9 -29.1 -16.1 90 90 A S > - 0 0 55 -2,-0.5 3,-2.5 -35,-0.4 135,-0.1 -0.413 18.3-127.5 -64.2 134.8 -10.7 -25.9 -17.9 91 91 A P G > S+ 0 0 25 0, 0.0 134,-2.1 0, 0.0 3,-1.2 0.790 107.6 62.1 -55.6 -28.5 -7.8 -24.8 -20.2 92 92 A D G 3 S+ 0 0 72 1,-0.3 -2,-0.1 132,-0.2 -36,-0.0 0.430 99.4 56.5 -82.6 4.9 -7.8 -21.4 -18.6 93 93 A R G < S+ 0 0 38 -3,-2.5 -36,-2.2 2,-0.0 2,-0.4 -0.077 91.8 91.9-119.1 31.4 -6.9 -23.0 -15.2 94 94 A V E < -d 57 0A 0 -3,-1.2 131,-0.6 -38,-0.2 2,-0.4 -0.991 50.4-172.1-124.1 132.4 -3.8 -24.7 -16.5 95 95 A Y E -dE 58 224A 13 -38,-2.3 -36,-3.1 -2,-0.4 2,-0.4 -0.977 4.1-170.0-115.9 140.4 -0.2 -23.4 -16.5 96 96 A I E -dE 59 223A 0 127,-1.8 127,-3.4 -2,-0.4 2,-0.6 -0.977 9.4-153.8-129.4 118.1 2.6 -25.3 -18.3 97 97 A N E -dE 60 222A 8 -38,-2.8 -36,-2.5 -2,-0.4 2,-0.4 -0.814 13.2-154.0 -89.8 125.4 6.3 -24.4 -17.9 98 98 A Y E -d 61 0A 1 123,-2.8 2,-0.5 -2,-0.6 -36,-0.2 -0.851 9.8-170.5-101.1 132.5 8.4 -25.3 -20.8 99 99 A Y E -d 62 0A 35 -38,-2.7 -36,-2.1 -2,-0.4 2,-0.8 -0.976 16.0-152.5-125.0 122.6 12.2 -26.0 -20.4 100 100 A D E -d 63 0A 97 -2,-0.5 2,-0.4 -38,-0.2 -36,-0.2 -0.829 27.0-156.5 -87.6 110.4 14.7 -26.4 -23.3 101 101 A M - 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