==== 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 3L5P . 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) . 14584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 72.2 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 . 16 4.6 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 . 84 24.1 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 20 0, 0.0 37,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 155.9 11.3 -35.3 -23.2 2 2 A M E -aB 38 62A 11 60,-2.6 60,-2.7 35,-0.2 2,-0.5 -0.990 360.0-171.4-135.5 123.4 9.7 -35.1 -19.7 3 3 A F E -aB 39 61A 0 35,-2.5 37,-1.9 -2,-0.4 2,-0.4 -0.967 2.9-173.1-121.0 126.8 6.2 -33.9 -18.9 4 4 A I E -aB 40 60A 20 56,-2.6 56,-2.0 -2,-0.5 2,-0.4 -0.963 2.9-169.9-119.0 133.1 4.9 -33.3 -15.3 5 5 A V E -aB 41 59A 0 35,-2.7 37,-3.2 -2,-0.4 2,-0.5 -0.984 2.1-174.8-120.8 121.6 1.3 -32.5 -14.4 6 6 A N E +aB 42 58A 37 52,-2.5 52,-2.5 -2,-0.4 2,-0.3 -0.958 20.1 163.5-109.6 131.0 0.4 -31.4 -10.8 7 7 A T E - B 0 57A 0 35,-2.6 38,-2.4 -2,-0.5 50,-0.2 -0.990 47.8-136.8-148.2 152.0 -3.4 -31.0 -10.2 8 8 A N S S+ 0 0 32 48,-0.9 49,-0.1 -2,-0.3 3,-0.1 0.435 71.5 117.0 -86.5 -1.1 -6.0 -30.7 -7.5 9 9 A V S S- 0 0 7 47,-0.4 35,-2.5 1,-0.1 36,-0.2 -0.461 77.1-102.6 -64.6 137.3 -8.2 -33.1 -9.4 10 10 A P > - 0 0 62 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.227 21.9-118.4 -64.9 152.6 -8.8 -36.3 -7.3 11 11 A R G > S+ 0 0 126 1,-0.3 3,-2.1 2,-0.2 -2,-0.1 0.872 112.1 62.4 -58.9 -38.9 -6.9 -39.5 -8.2 12 12 A A G 3 S+ 0 0 103 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.718 96.7 61.1 -61.3 -20.3 -10.1 -41.3 -9.0 13 13 A S G < S+ 0 0 61 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.483 78.2 98.7 -88.6 -3.7 -10.8 -38.8 -11.8 14 14 A V S < S- 0 0 22 -3,-2.1 73,-0.1 -4,-0.2 3,-0.1 -0.775 76.9-131.2 -83.6 118.4 -7.6 -39.8 -13.7 15 15 A P > - 0 0 50 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.355 21.1 -97.3 -75.1 146.8 -8.8 -42.2 -16.4 16 16 A D T 3 S+ 0 0 176 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.383 113.6 30.8 -52.0 134.0 -7.2 -45.6 -17.2 17 17 A G T 3> S+ 0 0 46 -3,-0.1 4,-2.3 -2,-0.0 -1,-0.2 0.320 81.8 120.3 98.7 -7.5 -4.9 -45.0 -20.1 18 18 A F H <> S+ 0 0 4 -3,-1.9 4,-2.4 1,-0.2 5,-0.2 0.904 75.0 45.7 -63.0 -46.8 -4.0 -41.4 -19.3 19 19 A L H > S+ 0 0 29 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 114.6 50.1 -62.9 -37.5 -0.2 -41.8 -18.9 20 20 A S H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.869 109.7 50.0 -69.9 -37.0 -0.1 -43.9 -22.1 21 21 A E H X S+ 0 0 36 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.924 111.5 48.6 -68.0 -43.7 -2.1 -41.3 -24.0 22 22 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.914 112.1 50.1 -58.5 -44.3 0.3 -38.5 -22.8 23 23 A T H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.957 114.4 42.6 -61.1 -50.3 3.3 -40.7 -23.8 24 24 A Q H X S+ 0 0 107 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.906 116.4 46.5 -66.5 -41.7 2.0 -41.4 -27.3 25 25 A Q H X S+ 0 0 62 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.835 113.4 48.6 -72.2 -32.2 0.8 -37.9 -28.0 26 26 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.3 6,-0.4 0.863 108.9 53.7 -74.2 -35.8 4.0 -36.2 -26.7 27 27 A A H X>S+ 0 0 9 -4,-2.2 4,-1.4 -5,-0.3 5,-0.7 0.957 112.6 45.1 -57.8 -48.9 6.1 -38.6 -28.8 28 28 A Q H <5S+ 0 0 158 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.926 115.9 45.4 -60.3 -47.0 4.1 -37.6 -31.8 29 29 A A H <5S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.829 117.3 41.7 -71.7 -34.0 4.3 -33.8 -31.1 30 30 A T H <5S- 0 0 1 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.600 102.6-125.6 -90.4 -12.7 8.0 -33.7 -30.2 31 31 A G T <5 + 0 0 65 -4,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.604 70.0 124.3 78.7 10.3 9.1 -36.0 -33.0 32 32 A K < - 0 0 62 -5,-0.7 -1,-0.3 -6,-0.4 -2,-0.2 -0.776 69.7 -97.1-104.4 149.3 10.9 -38.2 -30.5 33 33 A P > - 0 0 55 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.242 33.5-114.3 -60.1 150.5 10.4 -42.0 -30.1 34 34 A P G > S+ 0 0 72 0, 0.0 3,-1.5 0, 0.0 249,-0.3 0.786 115.3 70.2 -55.7 -28.1 8.0 -43.0 -27.3 35 35 A Q G 3 S+ 0 0 131 1,-0.3 250,-0.1 248,-0.1 249,-0.1 0.782 95.9 53.1 -57.4 -29.1 11.1 -44.6 -25.6 36 36 A Y G < S+ 0 0 99 -3,-2.2 2,-0.5 247,-0.1 -1,-0.3 0.575 90.6 98.6 -82.3 -11.6 12.3 -41.1 -25.0 37 37 A I < - 0 0 1 -3,-1.5 246,-3.0 -4,-0.4 247,-0.6 -0.685 46.7-176.9 -96.2 125.2 9.2 -39.9 -23.3 38 38 A A E -aC 2 282A 0 -37,-2.6 -35,-2.5 -2,-0.5 2,-0.3 -0.956 7.4-171.2-114.0 136.6 8.7 -39.7 -19.5 39 39 A V E -aC 3 281A 0 242,-2.4 242,-2.4 -2,-0.4 2,-0.4 -0.954 7.3-175.3-129.7 149.4 5.4 -38.7 -17.9 40 40 A H E -aC 4 280A 5 -37,-1.9 -35,-2.7 -2,-0.3 2,-0.5 -0.967 2.7-170.3-149.2 121.9 4.4 -37.9 -14.3 41 41 A V E -aC 5 279A 0 238,-2.6 238,-0.6 -2,-0.4 -35,-0.2 -0.968 0.7-172.0-121.9 127.1 0.9 -37.1 -13.0 42 42 A V E -a 6 0A 13 -37,-3.2 -35,-2.6 -2,-0.5 3,-0.3 -0.880 13.1-178.7-125.0 97.7 0.4 -35.9 -9.4 43 43 A P + 0 0 3 0, 0.0 -35,-0.2 0, 0.0 -32,-0.1 -0.201 55.6 42.3 -84.7 177.5 -3.3 -35.7 -8.4 44 44 A D S S+ 0 0 78 -35,-2.5 -36,-0.3 1,-0.2 2,-0.2 0.744 77.0 163.7 61.7 28.9 -5.0 -34.5 -5.1 45 45 A Q - 0 0 34 -38,-2.4 2,-1.1 -3,-0.3 -1,-0.2 -0.478 45.0-120.7 -83.7 148.9 -2.7 -31.5 -4.8 46 46 A L E +H 156 0B 53 110,-0.6 110,-2.6 -2,-0.2 2,-0.3 -0.757 61.6 132.8 -85.6 98.2 -3.4 -28.5 -2.5 47 47 A M E -H 155 0B 3 -2,-1.1 2,-0.3 108,-0.2 108,-0.2 -0.950 39.1-158.9-144.8 164.0 -3.4 -25.7 -5.0 48 48 A A E -H 154 0B 6 106,-2.2 106,-2.3 -2,-0.3 2,-0.4 -0.978 4.5-159.3-139.5 153.7 -5.3 -22.6 -6.2 49 49 A F E > S-HI 153 52B 8 3,-2.3 3,-1.6 -2,-0.3 104,-0.2 -0.987 86.1 -6.8-134.8 120.2 -5.3 -20.6 -9.5 50 50 A G T 3 S- 0 0 29 102,-2.6 103,-0.1 -2,-0.4 3,-0.1 0.736 129.6 -61.4 64.2 21.0 -6.5 -17.0 -9.3 51 51 A G T 3 S+ 0 0 37 101,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.444 114.7 113.1 86.1 -0.3 -7.4 -17.6 -5.7 52 52 A S B < -I 49 0B 36 -3,-1.6 -3,-2.3 98,-0.1 -1,-0.3 -0.816 59.0-150.8-108.5 146.6 -9.9 -20.4 -6.6 53 53 A S + 0 0 95 -2,-0.3 3,-0.1 -5,-0.2 -6,-0.1 0.187 55.4 126.6-101.4 15.3 -9.7 -24.1 -5.9 54 54 A E S S- 0 0 120 -5,-0.2 -46,-0.1 1,-0.2 -5,-0.1 -0.256 82.6 -59.8 -57.7 161.1 -11.7 -25.1 -8.9 55 55 A P S S+ 0 0 59 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.164 76.0 153.5 -51.0 133.4 -9.8 -27.7 -11.0 56 56 A C - 0 0 1 -3,-0.1 -48,-0.9 33,-0.1 -47,-0.4 -0.939 27.4-146.5-151.4 171.3 -6.5 -26.4 -12.2 57 57 A A E -Bd 7 94A 0 36,-2.1 38,-2.1 -2,-0.3 2,-0.5 -0.994 7.2-159.7-147.7 141.0 -3.1 -27.7 -13.3 58 58 A L E +Bd 6 95A 5 -52,-2.5 -52,-2.5 -2,-0.3 2,-0.3 -0.992 31.1 176.2-116.6 124.8 0.5 -26.6 -13.1 59 59 A C E -Bd 5 96A 5 36,-2.8 38,-2.7 -2,-0.5 2,-0.3 -0.812 21.1-160.4-128.6 161.2 2.7 -28.4 -15.7 60 60 A S E -Bd 4 97A 18 -56,-2.0 -56,-2.6 -2,-0.3 2,-0.4 -0.996 1.6-165.5-140.7 146.2 6.2 -28.6 -17.1 61 61 A L E -Bd 3 98A 0 36,-2.4 38,-2.7 -2,-0.3 2,-0.5 -0.979 8.4-170.4-128.3 119.0 7.7 -29.9 -20.3 62 62 A H E +Bd 2 99A 17 -60,-2.7 -60,-2.6 -2,-0.4 2,-0.3 -0.922 15.7 160.0-107.0 132.1 11.4 -30.4 -20.5 63 63 A S E - d 0 100A 4 36,-2.3 38,-2.4 -2,-0.5 2,-1.2 -0.993 45.9-120.8-148.1 145.7 13.0 -31.3 -23.9 64 64 A I S S- 0 0 66 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.765 91.6 -31.8 -83.0 99.4 16.4 -31.1 -25.4 65 65 A G S S+ 0 0 25 -2,-1.2 36,-0.2 36,-0.3 3,-0.1 -0.258 101.0 98.1 76.3-173.7 15.4 -28.8 -28.3 66 66 A K + 0 0 91 1,-0.2 2,-0.4 34,-0.1 -1,-0.1 0.731 64.0 120.1 62.6 22.4 12.0 -28.8 -30.0 67 67 A I + 0 0 21 -4,-0.1 2,-0.3 34,-0.1 -1,-0.2 -0.975 33.9 106.2-116.9 130.8 11.1 -25.8 -27.8 68 68 A G S > S- 0 0 18 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 -0.983 73.9 -63.8 176.4 177.8 10.2 -22.5 -29.3 69 69 A G H > S+ 0 0 31 -2,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.921 125.6 27.0 -47.8 -67.3 7.5 -20.0 -30.1 70 70 A A H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.864 121.5 54.6 -71.0 -36.2 5.2 -21.9 -32.5 71 71 A Q H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 107.9 49.5 -63.2 -42.3 6.1 -25.3 -31.1 72 72 A N H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.855 108.1 53.0 -68.2 -35.2 5.2 -24.3 -27.6 73 73 A R H X S+ 0 0 65 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.897 110.5 49.2 -64.6 -36.7 1.8 -22.9 -28.7 74 74 A S H X S+ 0 0 72 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.909 110.5 49.1 -68.6 -42.7 1.2 -26.3 -30.4 75 75 A Y H X S+ 0 0 4 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.903 110.2 52.6 -60.2 -41.6 2.1 -28.2 -27.2 76 76 A S H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 149,-0.3 0.902 109.1 47.9 -65.1 -41.1 -0.2 -26.0 -25.2 77 77 A K H X S+ 0 0 151 -4,-2.0 4,-1.8 148,-0.3 -1,-0.2 0.942 115.9 45.6 -62.4 -46.7 -3.1 -26.6 -27.5 78 78 A L H X S+ 0 0 43 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.947 118.5 40.4 -60.0 -51.4 -2.4 -30.4 -27.4 79 79 A L H X S+ 0 0 2 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.875 114.1 50.3 -74.7 -39.1 -1.9 -30.6 -23.6 80 80 A C H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.881 110.0 54.2 -62.7 -36.8 -4.7 -28.2 -22.6 81 81 A G H X S+ 0 0 33 -4,-1.8 4,-2.4 -5,-0.3 5,-0.2 0.923 110.1 45.2 -62.2 -44.3 -7.0 -30.3 -24.8 82 82 A L H X>S+ 0 0 11 -4,-1.9 4,-3.0 1,-0.2 5,-0.5 0.902 113.1 49.9 -65.6 -42.1 -6.0 -33.5 -23.1 83 83 A L H X5S+ 0 0 1 -4,-2.4 6,-1.9 3,-0.2 4,-1.3 0.854 113.7 46.2 -66.5 -34.1 -6.4 -32.0 -19.6 84 84 A A H X5S+ 0 0 36 -4,-2.1 4,-0.6 4,-0.3 -2,-0.2 0.922 119.3 39.3 -73.6 -44.9 -9.8 -30.6 -20.4 85 85 A E H <5S+ 0 0 127 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.929 128.0 30.5 -70.5 -46.6 -11.1 -33.8 -22.0 86 86 A R H <5S+ 0 0 87 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.858 135.8 22.2 -87.2 -38.2 -9.5 -36.3 -19.6 87 87 A L H < - 0 0 63 -2,-0.5 3,-2.3 -35,-0.4 134,-0.1 -0.456 17.6-129.0 -66.1 134.4 -10.5 -25.6 -18.0 91 91 A P G > S+ 0 0 28 0, 0.0 133,-2.1 0, 0.0 3,-1.3 0.802 107.1 61.6 -54.3 -31.6 -7.6 -24.5 -20.3 92 92 A D G 3 S+ 0 0 81 1,-0.3 -2,-0.1 131,-0.2 -36,-0.0 0.386 100.3 55.9 -81.8 8.1 -7.6 -21.0 -18.7 93 93 A R G < S+ 0 0 23 -3,-2.3 -36,-2.1 2,-0.0 2,-0.4 -0.043 92.3 90.5-122.3 28.1 -6.7 -22.7 -15.4 94 94 A V E < -d 57 0A 0 -3,-1.3 130,-0.5 -38,-0.2 2,-0.4 -0.986 51.3-171.2-122.0 132.8 -3.6 -24.4 -16.7 95 95 A Y E -d 58 0A 10 -38,-2.1 -36,-2.8 -2,-0.4 2,-0.4 -0.981 4.4-169.4-115.2 139.6 -0.0 -23.1 -16.7 96 96 A I E -dE 59 222A 0 126,-1.9 126,-3.5 -2,-0.4 2,-0.5 -0.974 8.2-155.0-127.7 118.9 2.7 -25.0 -18.6 97 97 A N E -dE 60 221A 6 -38,-2.7 -36,-2.4 -2,-0.4 2,-0.4 -0.814 12.3-153.1 -91.0 127.0 6.4 -24.1 -18.1 98 98 A Y E -d 61 0A 1 122,-3.0 2,-0.5 -2,-0.5 -36,-0.2 -0.844 9.0-168.1-101.7 133.8 8.5 -25.1 -21.1 99 99 A Y E -d 62 0A 33 -38,-2.7 -36,-2.3 -2,-0.4 2,-0.9 -0.974 14.1-155.5-124.6 121.8 12.2 -25.8 -20.6 100 100 A D E -d 63 0A 95 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.830 27.2-154.1 -90.7 104.3 14.8 -26.1 -23.5 101 101 A M - 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