==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 14-SEP-09 3JTU . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.MCLEAN,Y.ZHANG . 349 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 73.1 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 . 60 17.2 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 6 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 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 21 0, 0.0 37,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.2 22.8 5.9 -18.7 2 2 A M E -aB 38 62A 13 60,-1.9 60,-2.4 35,-0.2 2,-0.4 -0.996 360.0-164.6-136.2 134.7 21.2 2.5 -18.7 3 3 A F E -aB 39 61A 0 35,-2.4 37,-1.8 -2,-0.4 2,-0.4 -0.966 4.3-170.2-121.4 127.8 17.8 1.6 -17.3 4 4 A I E -aB 40 60A 18 56,-2.3 56,-1.7 -2,-0.4 2,-0.5 -0.966 1.5-168.1-119.3 131.6 16.6 -1.9 -16.7 5 5 A V E -aB 41 59A 0 35,-3.0 37,-3.5 -2,-0.4 2,-0.5 -0.976 3.3-173.9-120.5 122.0 13.0 -3.0 -15.8 6 6 A N E +aB 42 58A 39 52,-2.3 52,-2.7 -2,-0.5 2,-0.3 -0.963 22.2 160.1-109.0 128.8 12.2 -6.5 -14.6 7 7 A T E - B 0 57A 0 35,-2.8 38,-2.5 -2,-0.5 50,-0.2 -0.977 50.0-134.2-148.5 154.9 8.4 -7.1 -14.2 8 8 A N S S+ 0 0 28 48,-0.9 49,-0.1 -2,-0.3 3,-0.1 0.435 71.3 118.5 -89.9 -0.8 5.8 -9.8 -14.0 9 9 A V S S- 0 0 8 47,-0.4 35,-2.9 33,-0.1 36,-0.3 -0.413 76.3-100.4 -61.1 139.2 3.6 -7.9 -16.5 10 10 A P > - 0 0 62 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.271 21.7-119.8 -64.1 148.6 3.0 -9.9 -19.7 11 11 A R G > S+ 0 0 103 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.867 114.3 60.0 -55.6 -37.7 5.0 -9.2 -22.8 12 12 A A G 3 S+ 0 0 99 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.727 98.7 58.9 -64.5 -21.9 1.8 -8.4 -24.7 13 13 A S G < S+ 0 0 64 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.511 81.3 99.0 -87.5 -5.5 1.1 -5.6 -22.2 14 14 A V S < S- 0 0 6 -3,-1.6 73,-0.1 -4,-0.4 4,-0.1 -0.747 82.4-119.3 -84.3 115.8 4.4 -3.9 -23.0 15 15 A P > - 0 0 46 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.122 16.9-121.2 -54.1 148.9 3.6 -1.0 -25.4 16 16 A D T 3 S+ 0 0 162 1,-0.3 3,-0.5 2,-0.1 4,-0.2 0.933 111.0 38.2 -59.6 -50.5 5.2 -1.2 -28.8 17 17 A G T 3> S+ 0 0 45 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.071 84.7 112.4 -90.5 26.5 7.1 2.2 -28.6 18 18 A F H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.922 74.6 49.1 -67.3 -44.7 7.9 1.7 -24.9 19 19 A L H > S+ 0 0 21 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.901 112.6 49.0 -62.2 -40.0 11.6 1.4 -25.3 20 20 A S H > S+ 0 0 63 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 110.3 51.0 -66.1 -39.2 11.8 4.5 -27.5 21 21 A E H X S+ 0 0 39 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.919 111.0 47.8 -64.8 -44.4 9.7 6.4 -25.0 22 22 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.901 111.3 52.0 -61.2 -41.6 12.0 5.4 -22.2 23 23 A T H X S+ 0 0 4 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.952 113.6 42.7 -61.3 -48.7 15.0 6.4 -24.3 24 24 A Q H X S+ 0 0 132 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.917 116.0 47.6 -64.6 -44.7 13.7 9.8 -25.1 25 25 A Q H X S+ 0 0 58 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.891 113.7 47.4 -65.0 -41.3 12.4 10.5 -21.5 26 26 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 6,-0.4 0.871 109.4 54.0 -68.7 -37.3 15.7 9.4 -20.0 27 27 A A H X>S+ 0 0 13 -4,-2.3 4,-1.5 -5,-0.3 5,-1.1 0.959 113.6 42.6 -58.2 -50.2 17.7 11.5 -22.5 28 28 A Q H <5S+ 0 0 151 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.931 116.5 47.9 -61.0 -46.3 15.7 14.5 -21.5 29 29 A A H <5S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 118.3 38.4 -66.3 -37.6 15.9 13.7 -17.8 30 30 A T H <5S- 0 0 3 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.613 101.9-127.1 -91.0 -13.8 19.6 13.0 -17.7 31 31 A G T <5 + 0 0 67 -4,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.725 68.7 126.7 73.4 20.9 20.6 15.8 -20.1 32 32 A K < - 0 0 55 -5,-1.1 -1,-0.3 -6,-0.4 -2,-0.2 -0.834 69.1 -98.3-112.3 147.8 22.5 13.3 -22.2 33 33 A P > - 0 0 60 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.336 32.5-119.8 -62.2 145.7 22.1 12.6 -25.9 34 34 A P G > S+ 0 0 58 0, 0.0 3,-1.2 0, 0.0 250,-0.3 0.761 106.5 76.4 -59.2 -24.8 19.9 9.6 -26.7 35 35 A Q G 3 S+ 0 0 134 1,-0.3 251,-0.1 249,-0.1 250,-0.1 0.712 97.6 47.3 -59.9 -20.3 22.8 7.9 -28.5 36 36 A Y G < S+ 0 0 121 -3,-2.0 2,-0.3 248,-0.1 -1,-0.3 0.668 90.4 102.0 -90.4 -20.8 24.2 7.1 -25.0 37 37 A I < - 0 0 0 -3,-1.2 247,-2.7 -4,-0.5 248,-0.6 -0.499 48.6-170.2 -80.5 129.1 21.0 5.8 -23.5 38 38 A A E -aC 2 283A 0 -37,-2.3 -35,-2.4 -2,-0.3 2,-0.3 -0.952 3.8-172.7-115.5 136.2 20.4 2.0 -23.1 39 39 A V E -aC 3 282A 0 243,-2.2 243,-2.6 -2,-0.4 2,-0.3 -0.967 5.5-178.3-130.1 147.3 17.0 0.5 -22.1 40 40 A H E -aC 4 281A 5 -37,-1.8 -35,-3.0 -2,-0.3 2,-0.5 -0.968 4.0-170.7-150.4 120.2 16.1 -3.1 -21.3 41 41 A V E -aC 5 280A 1 239,-2.7 239,-0.6 -2,-0.3 -35,-0.2 -0.971 2.1-169.5-120.6 127.6 12.6 -4.4 -20.4 42 42 A V E -a 6 0A 15 -37,-3.5 -35,-2.8 -2,-0.5 3,-0.3 -0.885 14.7-178.5-121.5 98.3 12.1 -7.9 -19.1 43 43 A P + 0 0 17 0, 0.0 -35,-0.2 0, 0.0 -32,-0.1 -0.230 55.6 42.2 -83.1 175.5 8.4 -9.0 -18.9 44 44 A D S S+ 0 0 89 -35,-2.9 -36,-0.3 1,-0.2 2,-0.1 0.724 76.7 162.2 61.9 27.9 6.8 -12.2 -17.8 45 45 A Q - 0 0 37 -38,-2.5 2,-1.0 -3,-0.3 -1,-0.2 -0.445 46.2-120.7 -83.0 151.3 9.0 -12.6 -14.7 46 46 A L E +H 160 0B 65 114,-0.7 114,-2.4 -2,-0.1 2,-0.3 -0.793 58.2 145.2 -89.3 100.0 8.3 -14.7 -11.7 47 47 A M E -H 159 0B 3 -2,-1.0 2,-0.3 112,-0.2 112,-0.2 -0.928 36.5-159.2-137.2 157.5 8.2 -12.1 -8.9 48 48 A A E -H 158 0B 6 110,-2.7 110,-2.5 -2,-0.3 2,-0.4 -0.990 3.4-168.1-134.2 147.4 6.6 -11.3 -5.6 49 49 A F E > S-HI 157 52B 7 3,-2.7 3,-1.6 -2,-0.3 108,-0.2 -0.983 82.4 -9.2-134.6 119.1 6.4 -7.9 -3.9 50 50 A G T 3 S- 0 0 20 106,-2.5 107,-0.1 -2,-0.4 104,-0.1 0.780 129.9 -59.1 62.0 24.9 5.2 -7.8 -0.3 51 51 A G T 3 S+ 0 0 40 105,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.487 118.0 107.7 85.4 2.4 4.2 -11.5 -0.7 52 52 A S B < -I 49 0B 40 -3,-1.6 -3,-2.7 102,-0.1 -1,-0.3 -0.860 61.0-149.9-116.2 147.6 1.9 -10.7 -3.6 53 53 A S + 0 0 85 -2,-0.3 3,-0.1 -5,-0.2 -6,-0.1 0.100 54.1 129.0-104.9 22.3 2.2 -11.4 -7.3 54 54 A E S S- 0 0 121 -5,-0.2 -46,-0.1 1,-0.2 -5,-0.1 -0.299 81.3 -57.9 -62.2 162.3 0.2 -8.4 -8.4 55 55 A P S S+ 0 0 48 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.157 77.7 151.1 -51.0 131.6 2.0 -6.3 -11.1 56 56 A C - 0 0 1 -3,-0.1 -48,-0.9 33,-0.1 -47,-0.4 -0.919 28.0-146.9-151.2 174.2 5.3 -5.1 -9.8 57 57 A A E -Bd 7 94A 0 36,-2.1 38,-2.1 -2,-0.3 2,-0.5 -0.993 8.4-159.1-151.7 142.4 8.8 -4.1 -11.0 58 58 A L E +Bd 6 95A 6 -52,-2.7 -52,-2.3 -2,-0.3 2,-0.2 -0.995 31.8 172.8-120.3 123.9 12.4 -4.2 -9.9 59 59 A C E -Bd 5 96A 5 36,-3.0 38,-2.6 -2,-0.5 2,-0.3 -0.760 21.6-157.7-128.7 165.6 14.5 -1.7 -11.8 60 60 A S E -Bd 4 97A 18 -56,-1.7 -56,-2.3 -2,-0.2 2,-0.4 -0.993 2.8-163.0-143.5 146.9 18.0 -0.1 -11.9 61 61 A L E -Bd 3 98A 0 36,-2.3 38,-2.6 -2,-0.3 2,-0.5 -0.980 10.1-168.7-125.8 118.1 19.4 3.1 -13.3 62 62 A H E +Bd 2 99A 12 -60,-2.4 -60,-1.9 -2,-0.4 2,-0.3 -0.903 16.4 162.5-102.1 134.2 23.2 3.2 -13.8 63 63 A S E - d 0 100A 3 36,-2.3 38,-2.4 -2,-0.5 2,-1.1 -0.995 43.5-125.7-148.5 145.3 24.8 6.6 -14.6 64 64 A I S S- 0 0 61 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.794 89.8 -29.8 -87.5 98.6 28.2 8.2 -14.5 65 65 A G S S+ 0 0 25 -2,-1.1 36,-0.2 36,-0.3 3,-0.1 -0.255 103.7 92.1 80.3-177.7 27.3 11.1 -12.2 66 66 A K + 0 0 99 1,-0.2 2,-0.4 34,-0.1 -1,-0.1 0.815 65.4 121.4 59.9 30.2 23.9 12.8 -12.1 67 67 A I + 0 0 17 -4,-0.1 2,-0.3 31,-0.0 -1,-0.2 -0.993 33.3 100.0-123.9 132.0 23.0 10.5 -9.3 68 68 A G S > S- 0 0 20 -2,-0.4 4,-3.5 1,-0.2 5,-0.3 -0.963 75.5 -59.8 168.8 174.6 21.9 11.8 -5.9 69 69 A G H > S+ 0 0 29 -2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.887 125.1 28.9 -44.4 -69.3 19.2 12.7 -3.4 70 70 A A H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 122.9 50.8 -63.5 -44.8 17.1 15.3 -5.3 71 71 A Q H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 108.9 51.4 -61.8 -40.7 17.9 14.0 -8.7 72 72 A N H X S+ 0 0 0 -4,-3.5 4,-2.5 2,-0.2 -1,-0.2 0.866 106.2 54.2 -67.4 -35.7 17.0 10.4 -7.8 73 73 A R H X S+ 0 0 98 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.898 110.1 48.7 -62.5 -37.6 13.6 11.6 -6.4 74 74 A S H X S+ 0 0 79 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.916 110.5 49.7 -68.0 -43.7 13.1 13.2 -9.8 75 75 A Y H X S+ 0 0 6 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.898 110.1 52.1 -59.2 -41.1 14.1 10.0 -11.7 76 76 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 153,-0.4 0.887 108.5 48.9 -67.5 -39.0 11.7 8.0 -9.5 77 77 A K H X S+ 0 0 148 -4,-1.9 4,-1.6 152,-0.3 -1,-0.2 0.925 116.3 44.6 -64.0 -43.3 8.7 10.3 -10.2 78 78 A L H X S+ 0 0 40 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 118.3 40.9 -64.0 -50.7 9.4 10.1 -13.9 79 79 A L H X S+ 0 0 1 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.898 115.3 49.0 -74.1 -41.1 10.1 6.3 -14.1 80 80 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.885 109.9 55.4 -61.2 -37.7 7.2 5.3 -11.8 81 81 A G H X S+ 0 0 31 -4,-1.6 4,-2.7 -5,-0.3 -2,-0.2 0.936 109.7 44.5 -60.4 -46.2 5.0 7.5 -13.8 82 82 A L H X>S+ 0 0 10 -4,-2.0 4,-2.9 2,-0.2 5,-0.5 0.909 113.2 50.0 -65.1 -43.1 5.9 5.8 -17.0 83 83 A L H X>S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 6,-1.4 0.893 114.5 45.1 -64.3 -39.4 5.6 2.3 -15.5 84 84 A A H X5S+ 0 0 32 -4,-2.5 4,-0.9 4,-0.3 -2,-0.2 0.947 118.7 41.1 -68.0 -49.3 2.1 3.1 -14.1 85 85 A E H <5S+ 0 0 122 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.883 128.8 27.9 -67.7 -40.4 0.8 4.8 -17.2 86 86 A R H <5S+ 0 0 89 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.839 135.9 24.4 -95.1 -37.5 2.3 2.3 -19.7 87 87 A L H < - 0 0 55 -2,-0.5 3,-2.3 -35,-0.4 138,-0.1 -0.395 18.2-127.1 -63.7 135.9 1.4 0.8 -9.1 91 91 A P G > S+ 0 0 25 0, 0.0 137,-2.3 0, 0.0 3,-1.2 0.791 107.4 61.8 -56.2 -29.7 4.3 3.1 -7.9 92 92 A D G 3 S+ 0 0 72 1,-0.3 -2,-0.1 135,-0.2 -36,-0.0 0.358 99.5 56.3 -84.5 9.4 4.3 1.5 -4.5 93 93 A R G < S+ 0 0 34 -3,-2.3 -36,-2.1 2,-0.0 2,-0.4 -0.069 92.6 91.4-120.5 31.8 5.1 -1.9 -6.1 94 94 A V E < -d 57 0A 0 -3,-1.2 134,-0.5 -38,-0.2 2,-0.4 -0.991 50.8-171.3-124.9 131.6 8.2 -0.6 -7.8 95 95 A Y E -d 58 0A 14 -38,-2.1 -36,-3.0 -2,-0.4 2,-0.4 -0.981 4.3-170.5-114.3 137.4 11.8 -0.6 -6.6 96 96 A I E -dE 59 226A 0 130,-2.0 130,-3.6 -2,-0.4 2,-0.6 -0.979 9.1-154.5-126.5 118.1 14.5 1.3 -8.5 97 97 A N E -dE 60 225A 5 -38,-2.6 -36,-2.3 -2,-0.4 2,-0.4 -0.815 12.2-153.1 -91.1 124.0 18.2 0.8 -7.5 98 98 A Y E -d 61 0A 2 126,-3.1 2,-0.5 -2,-0.6 -36,-0.2 -0.836 9.0-167.5-100.2 133.1 20.4 3.8 -8.5 99 99 A Y E -d 62 0A 31 -38,-2.6 -36,-2.3 -2,-0.4 2,-1.0 -0.976 14.8-155.1-123.7 122.0 24.1 3.4 -9.1 100 100 A D E -d 63 0A 96 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.830 28.1-158.9 -90.7 101.2 26.6 6.2 -9.4 101 101 A M - 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