==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-JUN-08 3DJI . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.V.CRICHLOW,E.LOLIS . 684 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 18.3 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 . 12 1.8 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 . 41 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 6 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 6 0 6 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 . 7 5 6 6 0 6 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 6 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,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.3 -4.4 -28.2 -15.1 2 2 A M E -aB 38 62A 8 60,-2.0 60,-2.6 35,-0.2 2,-0.4 -1.000 360.0-163.6-141.6 140.1 -6.6 -25.2 -14.5 3 3 A F E -aB 39 61A 0 35,-2.5 37,-2.1 -2,-0.4 2,-0.4 -0.988 7.2-170.4-125.8 129.0 -9.7 -24.0 -16.2 4 4 A I E -aB 40 60A 28 56,-2.5 56,-1.7 -2,-0.4 2,-0.5 -0.972 2.8-167.7-124.3 134.3 -11.1 -20.5 -15.8 5 5 A V E -aB 41 59A 0 35,-3.0 37,-3.4 -2,-0.4 2,-0.5 -0.984 2.8-173.6-124.7 122.7 -14.4 -19.2 -17.1 6 6 A N E +aB 42 58A 29 52,-2.3 52,-2.5 -2,-0.5 2,-0.3 -0.967 22.3 157.7-113.8 124.3 -15.3 -15.5 -17.2 7 7 A T E - B 0 57A 0 35,-2.5 38,-2.3 -2,-0.5 50,-0.2 -0.975 49.8-133.5-146.9 158.6 -18.9 -14.8 -18.1 8 8 A N S S+ 0 0 30 48,-0.9 49,-0.1 -2,-0.3 3,-0.1 0.471 71.6 115.7 -90.0 -2.6 -21.6 -12.2 -17.9 9 9 A V S S- 0 0 9 47,-0.4 35,-2.4 33,-0.1 36,-0.2 -0.433 76.6 -97.3 -68.6 142.3 -24.2 -14.8 -16.8 10 10 A P > - 0 0 62 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.172 21.9-119.7 -59.8 149.5 -25.5 -14.3 -13.3 11 11 A R G > S+ 0 0 110 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.880 115.2 60.7 -55.6 -40.7 -24.2 -16.2 -10.3 12 12 A A G 3 S+ 0 0 99 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.762 99.0 57.8 -61.0 -24.0 -27.6 -17.7 -9.8 13 13 A S G < S+ 0 0 64 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.530 81.9 94.4 -84.1 -8.5 -27.4 -19.2 -13.3 14 14 A V S < S- 0 0 5 -3,-1.8 73,-0.1 -4,-0.4 3,-0.1 -0.799 84.1-124.7 -86.0 113.8 -24.3 -21.2 -12.5 15 15 A P > - 0 0 23 0, 0.0 3,-1.8 0, 0.0 2,-0.5 -0.154 22.9 -98.6 -61.7 151.4 -25.6 -24.5 -11.4 16 16 A D T 3 S+ 0 0 154 1,-0.3 -4,-0.0 2,-0.1 0, 0.0 -0.670 110.5 19.9 -74.3 123.3 -24.9 -26.0 -8.3 17 17 A G T 3> S+ 0 0 49 -2,-0.5 4,-2.3 -3,-0.1 -1,-0.3 0.272 82.7 127.4 97.6 0.4 -22.1 -28.6 -8.6 18 18 A F H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.898 71.6 50.9 -56.1 -42.1 -20.9 -27.1 -11.9 19 19 A L H > S+ 0 0 19 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.928 111.1 45.5 -64.6 -44.2 -17.3 -26.8 -10.6 20 20 A S H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 112.6 54.8 -62.8 -37.9 -17.1 -30.4 -9.4 21 21 A E H X S+ 0 0 55 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.945 108.3 46.4 -58.1 -53.0 -18.6 -31.4 -12.7 22 22 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.864 109.1 56.4 -60.6 -37.1 -15.9 -29.5 -14.7 23 23 A T H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.963 109.5 44.8 -60.5 -50.9 -13.3 -31.1 -12.6 24 24 A Q H X S+ 0 0 111 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.922 116.2 45.8 -58.2 -48.5 -14.5 -34.6 -13.4 25 25 A Q H X S+ 0 0 67 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.875 112.7 49.0 -65.0 -40.1 -14.9 -33.9 -17.1 26 26 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.2 6,-0.4 0.833 107.3 58.1 -69.0 -30.0 -11.5 -32.1 -17.4 27 27 A A H X S+ 0 0 11 -4,-1.9 4,-2.1 -5,-0.3 5,-0.2 0.960 112.3 38.8 -62.2 -51.1 -9.9 -35.1 -15.6 28 28 A Q H < S+ 0 0 157 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.934 117.0 50.7 -64.6 -48.2 -11.2 -37.5 -18.2 29 29 A A H < S+ 0 0 41 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.915 122.3 30.4 -58.0 -48.1 -10.5 -35.2 -21.2 30 30 A T H < S- 0 0 7 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.703 99.6-130.3 -84.9 -23.1 -6.9 -34.4 -20.2 31 31 A G < + 0 0 64 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.424 63.9 132.9 86.2 -1.6 -6.2 -37.7 -18.6 32 32 A K - 0 0 75 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.464 66.5 -92.1 -82.6 153.7 -4.8 -35.9 -15.5 33 33 A P > - 0 0 62 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.420 27.9-128.4 -66.9 134.4 -5.8 -36.7 -11.8 34 34 A P G > S+ 0 0 51 0, 0.0 3,-2.0 0, 0.0 246,-0.4 0.831 106.0 70.8 -51.0 -34.2 -8.7 -34.8 -10.4 35 35 A Q G 3 S+ 0 0 118 1,-0.3 246,-0.1 245,-0.1 -12,-0.0 0.729 101.3 44.6 -56.8 -23.3 -6.5 -33.9 -7.5 36 36 A Y G < S+ 0 0 61 -3,-2.6 2,-0.5 244,-0.1 -1,-0.3 0.402 91.6 102.5-103.5 3.5 -4.5 -31.6 -9.8 37 37 A I < - 0 0 0 -3,-2.0 243,-2.3 -4,-0.3 244,-0.6 -0.774 48.9-171.4 -94.4 125.7 -7.4 -30.0 -11.5 38 38 A A E -aC 2 279A 0 -37,-2.4 -35,-2.5 -2,-0.5 2,-0.4 -0.928 1.3-169.6-114.5 137.3 -8.4 -26.5 -10.5 39 39 A V E -aC 3 278A 0 239,-2.2 239,-2.3 -2,-0.4 2,-0.4 -0.966 5.4-177.8-128.4 144.8 -11.6 -24.7 -11.8 40 40 A H E -aC 4 277A 3 -37,-2.1 -35,-3.0 -2,-0.4 2,-0.4 -0.972 3.1-172.3-146.5 122.4 -12.6 -21.1 -11.5 41 41 A V E -aC 5 276A 1 235,-2.1 235,-0.7 -2,-0.4 -35,-0.2 -0.978 4.0-166.5-120.2 129.1 -15.9 -19.6 -12.7 42 42 A V E -a 6 0A 12 -37,-3.4 -35,-2.5 -2,-0.4 3,-0.3 -0.862 14.6-176.3-119.3 95.7 -16.5 -15.8 -12.6 43 43 A P + 0 0 20 0, 0.0 -35,-0.1 0, 0.0 -34,-0.1 -0.171 56.5 38.9 -82.8-179.9 -20.1 -14.8 -13.1 44 44 A D S S+ 0 0 100 -35,-2.4 -36,-0.3 1,-0.2 2,-0.2 0.750 77.8 162.4 53.3 34.1 -21.8 -11.4 -13.4 45 45 A Q - 0 0 38 -38,-2.3 2,-1.0 -3,-0.3 -1,-0.2 -0.481 45.6-120.1 -86.7 153.3 -19.0 -9.9 -15.4 46 46 A L E +H 156 0B 48 110,-0.6 110,-2.5 -2,-0.2 2,-0.3 -0.790 61.0 134.4 -89.5 99.9 -19.1 -6.7 -17.5 47 47 A M E -H 155 0B 5 -2,-1.0 2,-0.3 108,-0.2 108,-0.2 -0.955 39.4-157.2-146.4 164.6 -18.3 -7.9 -21.0 48 48 A A E -H 154 0B 7 106,-2.3 106,-2.5 -2,-0.3 2,-0.4 -0.974 5.4-159.1-140.5 150.7 -19.3 -7.8 -24.6 49 49 A F E > S-HI 153 52B 7 3,-2.9 3,-1.7 -2,-0.3 104,-0.2 -0.974 83.6 -7.5-137.1 116.5 -18.6 -10.2 -27.5 50 50 A G T 3 S- 0 0 23 102,-2.3 103,-0.1 -2,-0.4 100,-0.1 0.745 129.8 -60.9 68.9 22.4 -18.8 -9.0 -31.0 51 51 A G T 3 S+ 0 0 40 101,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.380 116.5 115.0 84.7 -4.7 -20.1 -5.8 -29.5 52 52 A S B < -I 49 0B 42 -3,-1.7 -3,-2.9 98,-0.1 -1,-0.3 -0.772 58.6-151.2-101.6 146.3 -23.1 -7.6 -28.1 53 53 A S + 0 0 95 -2,-0.3 3,-0.1 -5,-0.2 -6,-0.1 0.162 55.4 123.2-100.1 17.6 -23.9 -8.1 -24.4 54 54 A E S S- 0 0 63 -5,-0.2 -46,-0.1 1,-0.2 -5,-0.1 -0.309 82.9 -57.1 -70.3 165.1 -25.7 -11.5 -24.8 55 55 A P S S+ 0 0 60 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.103 76.4 151.5 -47.4 132.5 -24.3 -14.4 -22.8 56 56 A C - 0 0 1 -3,-0.1 -48,-0.9 33,-0.1 -47,-0.4 -0.922 27.0-151.1-152.7 173.7 -20.7 -15.0 -23.6 57 57 A A E -Bd 7 94A 0 36,-2.0 38,-1.8 -2,-0.3 2,-0.5 -0.984 9.3-156.9-156.4 143.6 -17.6 -16.4 -21.9 58 58 A L E +Bd 6 95A 4 -52,-2.5 -52,-2.3 -2,-0.3 2,-0.3 -0.995 31.3 179.8-120.4 124.0 -13.8 -16.0 -22.1 59 59 A C E -Bd 5 96A 1 36,-3.0 38,-2.8 -2,-0.5 2,-0.4 -0.846 20.3-155.7-129.0 162.6 -11.9 -19.0 -20.8 60 60 A S E -Bd 4 97A 24 -56,-1.7 -56,-2.5 -2,-0.3 2,-0.5 -0.998 2.0-168.4-140.1 135.8 -8.4 -20.4 -20.3 61 61 A L E -Bd 3 98A 1 36,-2.3 38,-2.4 -2,-0.4 2,-0.4 -0.988 10.8-174.4-123.9 116.3 -7.1 -23.9 -20.0 62 62 A H E +Bd 2 99A 13 -60,-2.6 -60,-2.0 -2,-0.5 2,-0.3 -0.945 13.5 159.2-112.7 135.2 -3.5 -24.3 -18.7 63 63 A S E - d 0 100A 2 36,-2.3 38,-2.8 -2,-0.4 2,-1.2 -0.996 46.3-121.0-154.7 150.1 -1.8 -27.7 -18.7 64 64 A I S S- 0 0 58 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.809 92.9 -29.3 -91.0 96.7 1.6 -29.2 -18.6 65 65 A G S S+ 0 0 27 -2,-1.2 36,-0.2 36,-0.2 3,-0.1 -0.327 101.7 95.7 85.3-173.2 1.4 -31.2 -21.8 66 66 A K + 0 0 51 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.781 65.7 117.2 59.2 27.8 -1.9 -32.6 -23.2 67 67 A I + 0 0 17 -4,-0.1 2,-0.3 31,-0.0 -1,-0.2 -0.988 35.7 107.2-126.0 133.8 -2.1 -29.5 -25.4 68 68 A G S > S- 0 0 20 -2,-0.4 4,-2.5 151,-0.2 5,-0.3 -0.989 72.7 -59.8 177.3-177.7 -2.0 -29.6 -29.2 69 69 A G H > S+ 0 0 34 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.935 127.3 21.1 -50.8 -63.2 -3.8 -29.4 -32.5 70 70 A A H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.832 120.5 60.7 -79.6 -32.7 -6.5 -32.1 -32.3 71 71 A Q H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.931 107.0 46.5 -59.8 -43.5 -6.4 -32.2 -28.5 72 72 A N H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.798 109.1 54.2 -68.6 -31.2 -7.5 -28.5 -28.4 73 73 A R H X S+ 0 0 96 -4,-0.9 4,-1.8 -5,-0.3 -1,-0.2 0.880 112.0 46.0 -68.7 -36.2 -10.2 -29.0 -31.0 74 74 A S H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.872 111.0 50.6 -72.8 -39.7 -11.5 -31.8 -28.8 75 75 A Y H X S+ 0 0 6 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.914 110.4 51.8 -64.0 -40.6 -11.3 -29.7 -25.6 76 76 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 149,-0.4 0.912 108.1 49.6 -61.8 -44.9 -13.2 -26.9 -27.4 77 77 A K H X S+ 0 0 147 -4,-1.8 4,-1.4 148,-0.4 -1,-0.2 0.941 117.2 42.6 -59.3 -49.0 -16.0 -29.2 -28.5 78 78 A L H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.967 117.4 42.9 -63.2 -57.8 -16.3 -30.5 -24.9 79 79 A L H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.909 114.1 49.7 -61.4 -43.4 -16.0 -27.2 -23.0 80 80 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.884 111.6 53.6 -61.4 -34.4 -18.3 -25.2 -25.4 81 81 A G H X S+ 0 0 32 -4,-1.4 4,-2.6 -5,-0.4 -2,-0.2 0.947 109.8 43.6 -63.7 -49.8 -20.7 -28.1 -25.0 82 82 A L H X S+ 0 0 30 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.875 115.6 49.4 -64.6 -37.9 -20.8 -28.0 -21.2 83 83 A L H X>S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 6,-1.5 0.904 111.9 48.8 -68.0 -40.3 -21.0 -24.2 -21.2 84 84 A A H X5S+ 0 0 26 -4,-2.4 4,-0.5 4,-0.2 -2,-0.2 0.939 120.0 36.8 -63.5 -47.4 -23.8 -24.3 -23.7 85 85 A E H <5S+ 0 0 117 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.951 127.9 31.5 -71.7 -51.5 -25.8 -26.9 -21.7 86 86 A R H <5S+ 0 0 78 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.802 134.1 25.2 -81.5 -33.0 -25.1 -25.8 -18.2 87 87 A L H <5S- 0 0 6 -4,-1.9 -3,-0.2 -5,-0.5 -1,-0.2 0.433 97.0-126.6-110.2 -4.5 -24.7 -22.0 -18.5 88 88 A R << + 0 0 163 -4,-0.5 2,-0.5 -5,-0.5 -4,-0.2 0.841 56.0 150.3 63.5 34.3 -26.8 -21.6 -21.6 89 89 A I - 0 0 1 -6,-1.5 -1,-0.2 -9,-0.1 -2,-0.1 -0.882 49.0-120.6-102.6 125.8 -24.0 -19.7 -23.4 90 90 A S > - 0 0 57 -2,-0.5 3,-2.2 -35,-0.4 134,-0.1 -0.435 16.9-129.3 -65.2 134.3 -23.9 -20.1 -27.2 91 91 A P G > S+ 0 0 22 0, 0.0 133,-1.9 0, 0.0 3,-1.2 0.737 106.5 63.8 -55.4 -31.3 -20.6 -21.7 -28.6 92 92 A D G 3 S+ 0 0 67 1,-0.2 -2,-0.1 131,-0.2 -36,-0.0 0.441 101.8 54.0 -71.7 -1.7 -20.2 -18.8 -31.1 93 93 A R G < S+ 0 0 29 -3,-2.2 -36,-2.0 2,-0.0 2,-0.4 -0.035 93.9 88.5-121.8 29.2 -19.9 -16.5 -28.1 94 94 A V E < -d 57 0A 0 -3,-1.2 130,-0.7 -38,-0.2 2,-0.4 -0.993 49.4-173.1-131.7 133.2 -17.1 -18.4 -26.3 95 95 A Y E -dE 58 223A 9 -38,-1.8 -36,-3.0 -2,-0.4 2,-0.4 -0.969 3.7-171.0-121.6 138.7 -13.3 -18.1 -26.6 96 96 A I E -dE 59 222A 0 126,-2.0 126,-4.2 -2,-0.4 2,-0.5 -0.979 9.4-154.5-132.7 118.0 -10.9 -20.5 -24.9 97 97 A N E -dE 60 221A 4 -38,-2.8 -36,-2.3 -2,-0.4 2,-0.4 -0.811 13.6-149.6 -92.7 129.4 -7.2 -19.7 -24.9 98 98 A Y E -d 61 0A 2 122,-3.2 2,-0.4 -2,-0.5 -36,-0.2 -0.831 11.6-169.5-102.1 139.6 -5.0 -22.9 -24.5 99 99 A Y E -d 62 0A 35 -38,-2.4 -36,-2.3 -2,-0.4 2,-0.8 -0.983 14.3-156.4-132.6 123.1 -1.6 -22.8 -22.8 100 100 A D E -d 63 0A 87 -2,-0.4 2,-0.3 -38,-0.2 -36,-0.2 -0.871 26.3-156.0 -97.2 107.4 0.9 -25.6 -22.8 101 101 A M - 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