==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-DEC-09 3L5R . 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) . 14605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 72.6 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 . 61 17.4 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 . 20 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 5 1 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,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.8 11.5 -35.6 -23.0 2 2 A M E -aB 38 62A 22 60,-1.9 60,-2.3 35,-0.2 2,-0.5 -0.992 360.0-169.6-135.4 121.8 10.0 -35.4 -19.5 3 3 A F E -aB 39 61A 1 35,-2.8 37,-2.2 -2,-0.4 2,-0.4 -0.959 2.7-173.8-119.3 128.7 6.4 -34.2 -18.7 4 4 A I E -aB 40 60A 15 56,-2.4 56,-1.9 -2,-0.5 2,-0.5 -0.965 3.3-170.1-121.2 131.6 5.1 -33.5 -15.3 5 5 A V E -aB 41 59A 0 35,-2.9 37,-3.4 -2,-0.4 2,-0.5 -0.975 1.5-173.6-123.0 121.7 1.5 -32.7 -14.3 6 6 A N E +aB 42 58A 38 52,-2.3 52,-2.8 -2,-0.5 2,-0.3 -0.952 20.4 161.4-108.2 126.7 0.6 -31.5 -10.9 7 7 A T E - B 0 57A 0 35,-2.6 38,-2.5 -2,-0.5 50,-0.2 -0.979 48.0-137.2-145.2 155.0 -3.2 -31.1 -10.3 8 8 A N S S+ 0 0 30 48,-1.0 49,-0.1 -2,-0.3 3,-0.1 0.463 70.5 118.2 -87.7 -4.1 -5.7 -30.9 -7.5 9 9 A V S S- 0 0 6 47,-0.4 35,-2.7 1,-0.1 36,-0.2 -0.393 77.3-101.8 -59.9 137.1 -8.0 -33.3 -9.4 10 10 A P > - 0 0 65 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.250 23.8-117.4 -65.4 152.8 -8.6 -36.4 -7.3 11 11 A R G > S+ 0 0 136 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.841 112.6 61.2 -59.7 -34.8 -6.6 -39.5 -8.2 12 12 A A G 3 S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.733 94.5 63.9 -67.4 -20.7 -9.8 -41.5 -9.0 13 13 A S G < S+ 0 0 61 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.472 77.6 100.2 -82.2 -1.7 -10.5 -39.0 -11.8 14 14 A V S < S- 0 0 25 -3,-1.7 73,-0.1 -4,-0.2 3,-0.1 -0.775 75.7-133.8 -85.3 115.8 -7.4 -40.0 -13.7 15 15 A P > - 0 0 48 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.325 21.5 -95.0 -75.8 148.3 -8.6 -42.4 -16.4 16 16 A D T 3 S+ 0 0 176 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.353 113.6 30.2 -50.3 134.3 -7.1 -45.8 -17.3 17 17 A G T 3> S+ 0 0 47 -3,-0.1 4,-2.3 4,-0.0 -1,-0.2 0.281 81.5 119.8 99.5 -9.5 -4.7 -45.2 -20.2 18 18 A F H <> S+ 0 0 3 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.892 74.1 47.1 -63.1 -46.2 -3.7 -41.6 -19.3 19 19 A L H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.868 114.2 48.9 -62.6 -36.8 0.0 -42.1 -18.8 20 20 A S H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.883 109.5 51.2 -72.2 -37.9 0.2 -44.1 -22.1 21 21 A E H X S+ 0 0 44 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.898 111.2 48.2 -66.1 -40.8 -1.7 -41.5 -24.0 22 22 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.931 112.2 50.0 -63.0 -45.4 0.7 -38.8 -22.8 23 23 A T H X S+ 0 0 4 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.927 115.7 42.1 -57.5 -47.1 3.7 -40.9 -23.6 24 24 A Q H X S+ 0 0 115 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.914 116.2 45.4 -72.7 -43.1 2.4 -41.6 -27.2 25 25 A Q H X S+ 0 0 71 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.845 113.1 50.6 -71.8 -32.0 1.2 -38.1 -28.0 26 26 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.3 6,-0.4 0.824 107.6 54.3 -73.0 -31.2 4.3 -36.5 -26.7 27 27 A A H X>S+ 0 0 5 -4,-1.5 4,-1.5 -5,-0.3 5,-0.7 0.946 112.9 43.9 -63.1 -47.4 6.4 -38.8 -28.7 28 28 A Q H <5S+ 0 0 149 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.944 115.1 47.0 -58.0 -52.8 4.5 -37.7 -31.8 29 29 A A H <5S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 120.9 35.7 -67.7 -34.5 4.6 -34.0 -31.0 30 30 A T H <5S- 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.625 101.9-128.9 -94.6 -15.7 8.3 -33.8 -30.2 31 31 A G T <5 + 0 0 66 -4,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.658 65.3 128.0 76.5 15.3 9.3 -36.4 -32.8 32 32 A K < - 0 0 46 -5,-0.7 -1,-0.3 -6,-0.4 -2,-0.2 -0.757 69.0 -89.8-102.9 153.5 11.3 -38.4 -30.3 33 33 A P > - 0 0 68 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.263 30.0-124.4 -63.7 145.2 10.9 -42.1 -29.7 34 34 A P G > S+ 0 0 69 0, 0.0 3,-1.1 0, 0.0 250,-0.2 0.744 106.1 70.7 -60.2 -23.8 8.3 -43.2 -27.1 35 35 A Q G 3 S+ 0 0 141 1,-0.3 251,-0.1 250,-0.1 250,-0.0 0.689 100.4 45.5 -70.8 -18.1 11.0 -45.2 -25.3 36 36 A Y G < S+ 0 0 76 -3,-1.8 2,-0.5 248,-0.1 -1,-0.3 0.405 87.9 106.5-104.4 0.4 12.6 -42.0 -24.1 37 37 A I < - 0 0 1 -3,-1.1 247,-2.5 -4,-0.3 248,-0.6 -0.707 50.3-166.6 -85.1 124.9 9.5 -40.2 -23.0 38 38 A A E -aC 2 283A 0 -37,-2.8 -35,-2.8 -2,-0.5 2,-0.4 -0.926 4.6-172.2-110.9 136.4 9.0 -39.9 -19.3 39 39 A V E -aC 3 282A 0 243,-2.5 243,-2.5 -2,-0.4 2,-0.4 -0.978 7.1-175.6-132.9 144.0 5.6 -38.9 -17.8 40 40 A H E -aC 4 281A 6 -37,-2.2 -35,-2.9 -2,-0.4 2,-0.5 -0.981 3.3-169.6-145.0 119.4 4.7 -38.1 -14.2 41 41 A V E -aC 5 280A 0 239,-2.7 239,-0.6 -2,-0.4 -35,-0.2 -0.962 0.6-171.8-118.7 124.2 1.2 -37.3 -12.9 42 42 A V E +a 6 0A 15 -37,-3.4 -35,-2.6 -2,-0.5 3,-0.3 -0.862 13.8 179.8-120.3 94.8 0.6 -36.0 -9.4 43 43 A P + 0 0 12 0, 0.0 -35,-0.2 0, 0.0 -32,-0.1 -0.223 55.1 42.5 -82.7 176.3 -3.1 -35.8 -8.4 44 44 A D S S+ 0 0 85 -35,-2.7 -36,-0.3 1,-0.2 2,-0.2 0.753 77.0 164.0 63.6 28.6 -4.8 -34.7 -5.2 45 45 A Q - 0 0 38 -38,-2.5 2,-1.0 -3,-0.3 -1,-0.2 -0.479 44.1-122.1 -83.7 149.0 -2.5 -31.6 -4.8 46 46 A L E +H 156 0B 39 110,-0.6 110,-2.7 -2,-0.2 2,-0.3 -0.769 61.4 130.1 -86.8 100.5 -3.2 -28.7 -2.6 47 47 A M E -H 155 0B 3 -2,-1.0 2,-0.3 108,-0.2 108,-0.2 -0.970 40.9-154.0-149.5 163.1 -3.2 -25.8 -5.0 48 48 A A E -H 154 0B 5 106,-2.6 106,-2.3 -2,-0.3 2,-0.4 -0.973 3.4-159.5-136.0 154.6 -5.0 -22.7 -6.2 49 49 A F E > S-HI 153 52B 7 3,-2.4 3,-1.3 -2,-0.3 104,-0.2 -0.979 87.5 -6.6-133.6 118.3 -5.1 -20.8 -9.5 50 50 A G T 3 S- 0 0 29 102,-2.7 103,-0.1 -2,-0.4 3,-0.1 0.750 129.6 -61.4 67.6 22.7 -6.3 -17.2 -9.4 51 51 A G T 3 S+ 0 0 38 101,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.503 115.0 112.9 81.3 3.6 -7.2 -17.8 -5.7 52 52 A S B < -I 49 0B 37 -3,-1.3 -3,-2.4 98,-0.1 -1,-0.3 -0.880 59.5-150.5-112.2 144.5 -9.7 -20.5 -6.6 53 53 A S + 0 0 93 -2,-0.4 3,-0.1 -5,-0.2 -6,-0.1 0.175 56.0 125.8 -98.4 15.9 -9.5 -24.3 -5.8 54 54 A E S S- 0 0 120 -5,-0.2 -46,-0.1 1,-0.2 -5,-0.1 -0.274 82.6 -59.6 -59.6 161.6 -11.5 -25.3 -8.9 55 55 A P S S+ 0 0 59 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.148 75.1 152.7 -51.4 137.4 -9.6 -27.9 -11.0 56 56 A C - 0 0 1 -3,-0.1 -48,-1.0 33,-0.1 -47,-0.4 -0.956 28.1-143.8-156.6 167.2 -6.3 -26.6 -12.3 57 57 A A E -Bd 7 94A 0 36,-2.2 38,-2.3 -2,-0.3 2,-0.5 -1.000 6.7-162.6-144.3 141.2 -2.9 -27.9 -13.4 58 58 A L E +Bd 6 95A 4 -52,-2.8 -52,-2.3 -2,-0.3 2,-0.2 -0.990 30.8 169.4-121.1 120.8 0.7 -26.8 -13.1 59 59 A C E -Bd 5 96A 4 36,-3.2 38,-2.5 -2,-0.5 2,-0.3 -0.770 22.5-157.7-129.1 165.5 2.9 -28.7 -15.6 60 60 A S E -Bd 4 97A 19 -56,-1.9 -56,-2.4 -2,-0.2 2,-0.4 -0.994 2.7-162.8-143.7 149.0 6.4 -28.7 -17.1 61 61 A L E -Bd 3 98A 0 36,-2.5 38,-2.9 -2,-0.3 2,-0.5 -0.990 8.7-168.9-127.0 121.6 8.0 -30.1 -20.2 62 62 A H E +Bd 2 99A 13 -60,-2.3 -60,-1.9 -2,-0.4 2,-0.3 -0.932 15.8 164.9-106.6 131.9 11.8 -30.6 -20.5 63 63 A S E - d 0 100A 2 36,-2.7 38,-2.2 -2,-0.5 2,-1.3 -0.994 44.2-124.8-146.3 140.6 13.3 -31.4 -23.8 64 64 A I S S- 0 0 54 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.731 91.7 -34.3 -78.0 97.5 16.7 -31.3 -25.4 65 65 A G S S+ 0 0 24 -2,-1.3 36,-0.2 36,-0.3 3,-0.1 -0.286 101.8 98.9 76.4-170.2 15.7 -29.1 -28.2 66 66 A K + 0 0 101 1,-0.2 2,-0.4 34,-0.1 -1,-0.1 0.725 64.1 120.9 59.2 22.4 12.3 -29.1 -29.9 67 67 A I + 0 0 20 -4,-0.1 2,-0.3 34,-0.1 -1,-0.2 -0.966 34.2 101.7-115.9 131.1 11.4 -26.2 -27.8 68 68 A G S > S- 0 0 18 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 -0.990 74.6 -59.2 176.5-176.9 10.3 -22.9 -29.3 69 69 A G H > S+ 0 0 32 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.937 125.9 25.8 -49.1 -68.1 7.6 -20.4 -30.3 70 70 A A H > S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 122.5 54.1 -70.3 -39.1 5.4 -22.4 -32.6 71 71 A Q H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 109.0 48.1 -62.4 -42.7 6.4 -25.8 -31.2 72 72 A N H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.859 108.9 53.4 -68.5 -35.6 5.4 -24.7 -27.6 73 73 A R H X S+ 0 0 49 -4,-1.6 4,-1.7 -5,-0.3 -1,-0.2 0.895 110.9 48.1 -63.7 -37.4 2.1 -23.3 -28.8 74 74 A S H X S+ 0 0 71 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.938 110.4 50.2 -66.5 -46.1 1.5 -26.7 -30.4 75 75 A Y H X S+ 0 0 3 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.889 109.8 52.0 -57.9 -40.2 2.4 -28.5 -27.2 76 76 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 149,-0.4 0.873 109.2 48.2 -68.3 -36.8 0.1 -26.3 -25.2 77 77 A K H X S+ 0 0 150 -4,-1.7 4,-1.6 148,-0.2 -2,-0.2 0.922 115.8 45.3 -68.0 -43.5 -2.9 -27.0 -27.5 78 78 A L H X S+ 0 0 42 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.956 118.5 41.0 -61.1 -52.1 -2.2 -30.7 -27.4 79 79 A L H X S+ 0 0 1 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.902 114.8 49.0 -71.8 -41.7 -1.7 -30.9 -23.6 80 80 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.890 110.5 53.7 -61.8 -38.4 -4.5 -28.5 -22.6 81 81 A G H X S+ 0 0 32 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.916 110.9 45.8 -61.2 -43.1 -6.8 -30.5 -24.9 82 82 A L H X>S+ 0 0 10 -4,-1.9 4,-3.3 2,-0.2 5,-0.5 0.915 113.5 48.3 -65.8 -43.9 -5.8 -33.7 -23.1 83 83 A L H X5S+ 0 0 2 -4,-2.7 6,-1.9 2,-0.2 4,-1.3 0.861 114.3 46.8 -66.2 -35.7 -6.2 -32.2 -19.6 84 84 A A H X5S+ 0 0 35 -4,-2.5 4,-0.8 4,-0.3 -2,-0.2 0.943 119.6 39.6 -68.6 -46.3 -9.6 -30.7 -20.5 85 85 A E H <5S+ 0 0 120 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.918 127.6 29.6 -70.9 -45.8 -10.8 -34.0 -22.0 86 86 A R H <5S+ 0 0 88 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.840 136.1 22.9 -88.5 -36.7 -9.3 -36.5 -19.6 87 87 A L H < - 0 0 62 -2,-0.5 3,-2.4 -35,-0.4 -33,-0.2 -0.439 17.4-129.6 -69.1 135.5 -10.2 -25.8 -18.0 91 91 A P G > S+ 0 0 29 0, 0.0 133,-2.1 0, 0.0 3,-1.3 0.805 107.2 59.4 -55.7 -31.8 -7.4 -24.7 -20.4 92 92 A D G 3 S+ 0 0 77 1,-0.3 -2,-0.1 131,-0.2 -36,-0.0 0.394 101.0 57.2 -83.8 7.4 -7.3 -21.2 -18.8 93 93 A R G < S+ 0 0 25 -3,-2.4 -36,-2.2 2,-0.0 2,-0.4 -0.044 91.3 92.9-118.3 29.1 -6.5 -22.9 -15.5 94 94 A V E < -d 57 0A 0 -3,-1.3 130,-0.5 -38,-0.2 2,-0.4 -0.980 50.7-171.3-120.9 133.7 -3.4 -24.7 -16.8 95 95 A Y E -d 58 0A 11 -38,-2.3 -36,-3.2 -2,-0.4 2,-0.4 -0.988 3.5-172.9-117.1 136.2 0.2 -23.5 -16.7 96 96 A I E -dE 59 222A 0 126,-1.8 126,-3.8 -2,-0.4 2,-0.6 -0.973 9.4-156.2-128.5 117.6 3.0 -25.3 -18.6 97 97 A N E -dE 60 221A 7 -38,-2.5 -36,-2.5 -2,-0.4 2,-0.4 -0.829 11.8-154.0 -91.8 124.5 6.6 -24.4 -18.2 98 98 A Y E -d 61 0A 1 122,-2.7 2,-0.5 -2,-0.6 -36,-0.2 -0.841 8.5-168.2 -98.9 132.7 8.8 -25.4 -21.1 99 99 A Y E -d 62 0A 35 -38,-2.9 -36,-2.7 -2,-0.4 2,-0.9 -0.980 13.8-155.0-123.4 122.4 12.5 -26.0 -20.6 100 100 A D E -d 63 0A 96 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.836 27.5-155.2 -91.0 103.1 15.0 -26.4 -23.5 101 101 A M - 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