==== 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 10-SEP-09 3JSG . 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) . 14516.0 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 . 63 18.1 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 . 85 24.4 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 19 0, 0.0 37,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.5 23.2 5.8 -18.6 2 2 A M E -aB 38 62A 11 60,-2.1 60,-2.8 35,-0.2 2,-0.5 -0.998 360.0-165.1-136.7 135.1 21.4 2.5 -18.6 3 3 A F E -aB 39 61A 0 35,-2.5 37,-2.1 -2,-0.4 2,-0.4 -0.976 5.3-171.6-122.7 124.3 18.0 1.7 -17.3 4 4 A I E -aB 40 60A 21 56,-2.5 56,-2.0 -2,-0.5 2,-0.5 -0.955 2.1-169.1-116.8 133.2 16.8 -1.9 -16.7 5 5 A V E -aB 41 59A 0 35,-2.8 37,-3.4 -2,-0.4 2,-0.5 -0.981 2.3-173.6-122.0 120.9 13.2 -2.9 -15.8 6 6 A N E +aB 42 58A 33 52,-2.4 52,-2.7 -2,-0.5 2,-0.3 -0.960 21.6 161.1-109.3 130.0 12.3 -6.3 -14.6 7 7 A T E - B 0 57A 0 35,-2.8 38,-2.4 -2,-0.5 50,-0.2 -0.977 49.5-135.0-149.2 154.7 8.5 -7.0 -14.3 8 8 A N S S+ 0 0 29 48,-1.0 49,-0.1 -2,-0.3 3,-0.1 0.431 71.6 116.6 -90.0 -1.1 5.9 -9.7 -14.1 9 9 A V S S- 0 0 8 47,-0.4 35,-2.6 33,-0.1 36,-0.3 -0.418 77.3 -98.9 -63.0 141.2 3.7 -7.8 -16.5 10 10 A P > - 0 0 66 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.270 22.4-119.3 -63.8 148.2 3.2 -9.8 -19.8 11 11 A R G > S+ 0 0 104 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.890 114.4 59.9 -52.3 -41.9 5.3 -9.1 -22.9 12 12 A A G 3 S+ 0 0 97 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.710 97.2 60.6 -63.7 -20.2 2.1 -8.2 -24.8 13 13 A S G < S+ 0 0 62 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.501 80.9 95.9 -87.4 -4.9 1.4 -5.5 -22.3 14 14 A V S < S- 0 0 6 -3,-2.0 73,-0.1 -4,-0.3 3,-0.1 -0.788 79.6-129.2 -85.5 115.8 4.6 -3.6 -23.1 15 15 A P > - 0 0 52 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.338 20.2-108.5 -65.0 141.1 3.7 -1.0 -25.7 16 16 A D T 3 S+ 0 0 151 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.476 110.9 33.4 -59.9 140.4 5.7 -0.7 -28.9 17 17 A G T 3> S+ 0 0 45 -2,-0.1 4,-2.5 -3,-0.1 -1,-0.3 0.407 82.9 115.3 88.2 -3.7 7.8 2.4 -28.6 18 18 A F H <> S+ 0 0 1 -3,-1.8 4,-2.8 2,-0.2 5,-0.2 0.921 77.7 49.0 -64.0 -43.1 8.2 2.0 -24.9 19 19 A L H > S+ 0 0 23 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.905 113.1 47.6 -62.2 -41.4 11.9 1.5 -25.3 20 20 A S H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.890 111.6 50.5 -66.1 -39.0 12.1 4.6 -27.5 21 21 A E H X S+ 0 0 45 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.923 110.7 48.4 -66.1 -44.3 10.0 6.6 -25.0 22 22 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.909 111.1 51.9 -60.2 -41.5 12.2 5.6 -22.1 23 23 A T H X S+ 0 0 7 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.939 112.9 43.6 -60.9 -47.8 15.3 6.5 -24.1 24 24 A Q H X S+ 0 0 129 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 115.5 47.4 -64.9 -45.7 13.9 10.0 -25.0 25 25 A Q H X S+ 0 0 52 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.868 113.0 48.6 -67.0 -37.4 12.7 10.7 -21.4 26 26 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 6,-0.4 0.873 108.0 54.4 -69.7 -37.6 16.0 9.5 -19.9 27 27 A A H X>S+ 0 0 13 -4,-2.1 4,-1.5 -5,-0.2 5,-0.6 0.945 113.2 43.3 -59.0 -46.9 18.0 11.6 -22.3 28 28 A Q H <5S+ 0 0 145 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.8 48.0 -64.0 -43.1 16.0 14.7 -21.2 29 29 A A H <5S+ 0 0 39 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.860 120.5 35.3 -69.7 -36.9 16.1 13.8 -17.5 30 30 A T H <5S- 0 0 3 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.596 100.0-129.8 -94.5 -13.9 19.9 13.1 -17.4 31 31 A G T <5 + 0 0 66 -4,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.625 66.1 130.1 73.1 11.8 20.8 15.8 -19.9 32 32 A K < - 0 0 57 -5,-0.6 -1,-0.3 -6,-0.4 -2,-0.2 -0.703 68.5 -97.9 -96.0 149.5 22.9 13.2 -21.7 33 33 A P > - 0 0 67 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.405 30.8-120.7 -66.8 144.1 22.6 12.7 -25.5 34 34 A P G > S+ 0 0 59 0, 0.0 3,-1.6 0, 0.0 250,-0.3 0.741 105.7 75.3 -59.6 -23.9 20.3 9.8 -26.5 35 35 A Q G 3 S+ 0 0 126 1,-0.3 251,-0.1 249,-0.1 250,-0.1 0.721 98.3 46.5 -61.2 -20.6 23.1 8.0 -28.3 36 36 A Y G < S+ 0 0 91 -3,-2.2 2,-0.5 248,-0.1 -1,-0.3 0.454 90.3 103.0-100.7 -2.0 24.5 7.0 -24.9 37 37 A I < - 0 0 0 -3,-1.6 247,-2.7 -4,-0.3 248,-0.6 -0.706 49.0-169.8 -89.3 127.0 21.3 5.8 -23.3 38 38 A A E -aC 2 283A 0 -37,-2.4 -35,-2.5 -2,-0.5 2,-0.4 -0.937 2.5-170.6-114.6 138.6 20.6 2.1 -23.1 39 39 A V E -aC 3 282A 0 243,-2.4 243,-2.7 -2,-0.4 2,-0.4 -0.976 6.0-177.7-132.1 143.7 17.3 0.6 -22.1 40 40 A H E -aC 4 281A 5 -37,-2.1 -35,-2.8 -2,-0.4 2,-0.5 -0.976 3.3-171.3-146.7 119.6 16.3 -3.0 -21.2 41 41 A V E -aC 5 280A 0 239,-2.6 239,-0.7 -2,-0.4 -35,-0.2 -0.969 1.6-169.9-119.5 128.5 12.9 -4.3 -20.4 42 42 A V E -a 6 0A 14 -37,-3.4 -35,-2.8 -2,-0.5 3,-0.3 -0.886 13.6-179.2-123.0 99.4 12.3 -7.8 -19.1 43 43 A P + 0 0 19 0, 0.0 -35,-0.2 0, 0.0 -32,-0.1 -0.224 54.9 43.7 -86.4 177.9 8.6 -8.9 -18.9 44 44 A D S S+ 0 0 92 -35,-2.6 -36,-0.3 1,-0.2 2,-0.2 0.762 76.9 162.6 61.7 29.8 6.9 -12.2 -17.8 45 45 A Q - 0 0 35 -38,-2.4 2,-0.9 -3,-0.3 -1,-0.2 -0.494 46.0-120.8 -85.9 150.5 9.1 -12.5 -14.7 46 46 A L E +H 160 0B 57 114,-0.7 114,-2.5 -2,-0.2 2,-0.3 -0.802 57.1 148.4 -88.9 103.4 8.4 -14.6 -11.7 47 47 A M E -H 159 0B 5 -2,-0.9 2,-0.3 112,-0.2 112,-0.2 -0.940 35.5-162.5-139.3 152.8 8.3 -12.0 -8.9 48 48 A A E -H 158 0B 8 110,-2.6 110,-2.7 -2,-0.3 2,-0.4 -0.991 3.5-169.0-133.7 148.1 6.7 -11.2 -5.6 49 49 A F E > S-HI 157 52B 7 3,-2.6 3,-1.6 -2,-0.3 108,-0.2 -0.983 83.1 -10.0-135.0 117.8 6.6 -7.8 -3.9 50 50 A G T 3 S- 0 0 29 106,-2.6 107,-0.1 -2,-0.4 104,-0.1 0.780 129.6 -59.4 61.3 25.0 5.4 -7.8 -0.3 51 51 A G T 3 S+ 0 0 41 105,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.444 116.9 108.3 85.5 -0.2 4.4 -11.4 -0.8 52 52 A S B < -I 49 0B 43 -3,-1.6 -3,-2.6 102,-0.1 -1,-0.3 -0.836 59.9-150.7-111.8 148.5 2.0 -10.6 -3.6 53 53 A S + 0 0 87 -2,-0.3 3,-0.1 -5,-0.2 -6,-0.1 0.102 53.8 128.8-104.5 20.6 2.3 -11.3 -7.3 54 54 A E S S- 0 0 121 -5,-0.2 -46,-0.1 1,-0.2 -5,-0.1 -0.266 81.1 -57.5 -60.9 163.0 0.3 -8.3 -8.5 55 55 A P S S+ 0 0 50 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.165 77.3 152.2 -50.0 132.2 2.0 -6.2 -11.1 56 56 A C - 0 0 1 -3,-0.1 -48,-1.0 33,-0.1 -47,-0.4 -0.937 28.0-146.6-151.5 171.9 5.4 -4.9 -9.8 57 57 A A E -Bd 7 94A 0 36,-2.1 38,-2.2 -2,-0.3 2,-0.5 -0.994 7.0-160.3-149.2 141.1 8.8 -3.9 -11.1 58 58 A L E +Bd 6 95A 4 -52,-2.7 -52,-2.4 -2,-0.3 2,-0.3 -0.992 29.8 178.6-120.0 123.3 12.4 -4.0 -10.0 59 59 A C E -Bd 5 96A 2 36,-2.8 38,-2.8 -2,-0.5 2,-0.4 -0.785 22.2-155.9-128.1 161.1 14.6 -1.5 -11.8 60 60 A S E -Bd 4 97A 26 -56,-2.0 -56,-2.5 -2,-0.3 2,-0.5 -0.998 2.1-167.4-135.4 135.9 18.2 -0.2 -12.0 61 61 A L E -Bd 3 98A 0 36,-2.7 38,-2.8 -2,-0.4 2,-0.5 -0.980 9.2-171.9-120.8 119.5 19.5 3.1 -13.2 62 62 A H E +Bd 2 99A 12 -60,-2.8 -60,-2.1 -2,-0.5 2,-0.3 -0.920 13.8 160.9-107.0 131.7 23.2 3.4 -13.8 63 63 A S E - d 0 100A 3 36,-2.4 38,-2.6 -2,-0.5 2,-1.1 -0.997 44.6-123.0-146.8 146.6 24.8 6.8 -14.6 64 64 A I S S- 0 0 55 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.781 90.8 -31.1 -85.0 99.7 28.2 8.3 -14.5 65 65 A G S S+ 0 0 24 -2,-1.1 36,-0.2 36,-0.3 3,-0.1 -0.174 103.3 94.2 76.0-179.8 27.4 11.2 -12.2 66 66 A K + 0 0 97 1,-0.3 2,-0.4 34,-0.1 -1,-0.1 0.781 63.4 120.0 65.6 26.2 23.9 12.9 -12.1 67 67 A I + 0 0 18 -4,-0.1 2,-0.3 31,-0.0 -1,-0.3 -0.989 34.3 111.2-119.6 131.8 23.0 10.6 -9.2 68 68 A G S > S- 0 0 20 -2,-0.4 4,-3.4 1,-0.2 5,-0.3 -0.978 73.3 -69.4 176.8 173.5 22.0 12.1 -5.9 69 69 A G H > S+ 0 0 29 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.916 126.0 29.9 -47.5 -64.0 19.3 12.8 -3.3 70 70 A A H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 121.6 51.6 -68.8 -40.0 17.2 15.4 -5.2 71 71 A Q H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 108.4 51.4 -63.9 -42.6 18.0 14.0 -8.7 72 72 A N H X S+ 0 0 0 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.867 107.1 53.4 -63.9 -37.1 17.0 10.4 -7.7 73 73 A R H X S+ 0 0 103 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.917 110.0 48.7 -63.0 -40.3 13.7 11.7 -6.3 74 74 A S H X S+ 0 0 78 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.910 110.6 50.1 -64.5 -42.6 13.1 13.4 -9.7 75 75 A Y H X S+ 0 0 6 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.881 108.7 53.4 -62.6 -38.3 14.0 10.2 -11.6 76 76 A S H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.916 108.5 48.1 -66.1 -43.2 11.7 8.1 -9.4 77 77 A K H X S+ 0 0 152 -4,-2.0 4,-1.7 152,-0.4 -1,-0.2 0.941 116.4 44.9 -60.6 -46.6 8.7 10.4 -10.1 78 78 A L H X S+ 0 0 40 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.952 119.3 39.2 -60.2 -53.1 9.5 10.3 -13.8 79 79 A L H X S+ 0 0 1 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.880 115.4 50.0 -74.8 -39.2 10.1 6.5 -14.1 80 80 A C H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.892 110.1 54.6 -61.7 -37.7 7.3 5.5 -11.7 81 81 A G H X S+ 0 0 31 -4,-1.7 4,-2.5 -5,-0.4 -2,-0.2 0.919 109.8 45.2 -61.9 -43.3 5.0 7.7 -13.8 82 82 A L H X S+ 0 0 10 -4,-1.8 4,-2.6 2,-0.2 5,-0.5 0.889 112.7 50.1 -68.5 -40.0 6.0 5.9 -17.0 83 83 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 6,-1.5 0.878 113.9 46.6 -66.8 -36.6 5.7 2.5 -15.5 84 84 A A H X S+ 0 0 35 -4,-2.3 4,-0.8 4,-0.3 -2,-0.2 0.939 118.0 40.6 -68.7 -48.6 2.2 3.3 -14.1 85 85 A E H < S+ 0 0 122 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.875 128.4 29.1 -68.6 -38.5 1.0 4.9 -17.4 86 86 A R H < S+ 0 0 84 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.819 135.0 24.0 -97.3 -35.2 2.4 2.4 -19.8 87 87 A L H < S- 0 0 6 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.1 0.444 96.0-125.0-112.7 -4.7 2.6 -0.9 -17.8 88 88 A R < + 0 0 217 -4,-0.8 2,-0.5 -5,-0.4 -4,-0.3 0.855 56.2 152.0 63.4 36.2 -0.1 -0.2 -15.3 89 89 A I - 0 0 1 -6,-1.5 -1,-0.2 -9,-0.1 -2,-0.1 -0.873 48.6-118.8 -99.4 129.0 2.2 -0.9 -12.4 90 90 A S > - 0 0 54 -2,-0.5 3,-2.4 -35,-0.4 138,-0.1 -0.436 17.9-129.1 -64.5 133.5 1.4 0.9 -9.1 91 91 A P G > S+ 0 0 25 0, 0.0 137,-2.2 0, 0.0 3,-1.2 0.778 107.2 62.4 -55.2 -28.8 4.3 3.2 -8.0 92 92 A D G 3 S+ 0 0 71 1,-0.3 -2,-0.1 135,-0.2 -36,-0.0 0.377 99.8 55.4 -83.2 8.1 4.2 1.6 -4.6 93 93 A R G < S+ 0 0 36 -3,-2.4 -36,-2.1 2,-0.0 2,-0.4 -0.052 92.4 92.5-122.1 31.0 5.1 -1.7 -6.1 94 94 A V E < -d 57 0A 0 -3,-1.2 134,-0.5 -38,-0.2 2,-0.4 -0.988 50.2-171.9-122.7 130.4 8.3 -0.4 -7.9 95 95 A Y E -dE 58 227A 13 -38,-2.2 -36,-2.8 -2,-0.4 2,-0.4 -0.978 4.0-170.5-112.6 138.9 11.8 -0.4 -6.6 96 96 A I E -dE 59 226A 0 130,-1.9 130,-3.6 -2,-0.4 2,-0.5 -0.968 9.2-154.4-127.6 115.5 14.6 1.5 -8.5 97 97 A N E -dE 60 225A 5 -38,-2.8 -36,-2.7 -2,-0.4 2,-0.4 -0.785 12.8-152.0 -87.9 125.0 18.2 1.0 -7.5 98 98 A Y E -d 61 0A 2 126,-2.9 2,-0.5 -2,-0.5 -36,-0.2 -0.831 10.2-168.7-100.2 133.9 20.4 4.0 -8.4 99 99 A Y E -d 62 0A 34 -38,-2.8 -36,-2.4 -2,-0.4 2,-0.9 -0.975 15.6-154.9-126.9 120.7 24.1 3.5 -9.1 100 100 A D E -d 63 0A 99 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.823 27.9-157.2 -87.6 103.7 26.6 6.3 -9.5 101 101 A M - 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