==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-AUG-12 4GUM . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MACACA MULATTA; . AUTHOR C.FAN,E.LOLIS . 992 19 9 0 9 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 736 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 127 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 13.9 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 . 9 0.9 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 . 104 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.3 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 1 0 1 0 0 0 0 0 2 7 0 0 1 1 3 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 9 0 8 1 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 . 5 6 3 7 0 9 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 2 2 5 0 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,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 151.8 -11.7 -13.7 -33.5 2 2 A M E -aB 38 62A 43 60,-2.4 60,-2.7 35,-0.2 2,-0.5 -0.979 360.0-166.8-128.4 119.2 -12.4 -15.3 -30.1 3 3 A F E -aB 39 61A 0 35,-2.9 37,-3.2 -2,-0.5 2,-0.5 -0.922 4.4-169.5-112.5 121.0 -12.8 -19.1 -29.7 4 4 A I E -aB 40 60A 39 56,-2.7 56,-2.2 -2,-0.5 2,-0.6 -0.922 3.8-165.9-112.9 127.4 -14.3 -20.4 -26.5 5 5 A V E -aB 41 59A 0 35,-2.8 37,-3.6 -2,-0.5 2,-0.7 -0.930 0.6-168.1-115.4 110.5 -14.2 -24.1 -25.5 6 6 A N E +aB 42 58A 42 52,-2.5 52,-2.7 -2,-0.6 2,-0.3 -0.857 25.1 162.1 -94.1 115.3 -16.5 -25.3 -22.7 7 7 A T E - B 0 57A 0 35,-2.2 38,-1.9 -2,-0.7 50,-0.2 -0.966 48.5-148.7-139.6 151.2 -15.5 -28.8 -21.7 8 8 A N + 0 0 28 48,-1.0 49,-0.1 -2,-0.3 -1,-0.1 0.417 68.6 116.5 -91.8 -2.3 -15.9 -31.4 -18.9 9 9 A V S S- 0 0 9 47,-0.5 35,-1.9 1,-0.1 36,-0.2 -0.488 78.8-101.3 -64.6 132.2 -12.5 -32.7 -19.8 10 10 A P > - 0 0 60 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.224 22.5-122.1 -58.3 146.0 -10.0 -32.2 -17.0 11 11 A R G > S+ 0 0 117 1,-0.3 3,-0.9 2,-0.2 -2,-0.1 0.817 113.9 55.2 -58.7 -33.0 -7.5 -29.3 -17.3 12 12 A A G 3 S+ 0 0 97 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.659 98.6 63.2 -75.1 -16.5 -4.6 -31.8 -17.0 13 13 A S G < S+ 0 0 68 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.557 76.6 101.7 -86.2 -9.6 -6.0 -33.8 -19.9 14 14 A V S < S- 0 0 20 -3,-0.9 3,-0.1 -4,-0.4 73,-0.1 -0.697 80.3-119.8 -79.0 115.7 -5.6 -30.9 -22.3 15 15 A P > - 0 0 49 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.069 29.1 -92.5 -58.2 150.9 -2.4 -31.7 -24.3 16 16 A D T 3 S+ 0 0 170 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.380 111.8 19.1 -59.1 137.0 0.7 -29.4 -24.3 17 17 A G T 3> S+ 0 0 30 -3,-0.1 4,-2.4 -2,-0.1 -1,-0.2 0.587 83.0 127.1 78.2 10.7 0.6 -26.9 -27.2 18 18 A F H <> S+ 0 0 1 -3,-1.5 4,-2.7 2,-0.2 5,-0.2 0.890 73.1 50.5 -66.7 -40.0 -3.1 -27.3 -27.7 19 19 A L H > S+ 0 0 19 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 111.4 49.4 -64.8 -38.0 -3.7 -23.5 -27.5 20 20 A S H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.937 112.6 46.4 -65.1 -48.6 -0.9 -23.0 -30.1 21 21 A E H X S+ 0 0 70 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.928 113.0 49.4 -58.8 -48.5 -2.4 -25.6 -32.5 22 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.873 109.2 53.6 -58.9 -39.4 -5.9 -24.1 -32.1 23 23 A T H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.921 110.4 46.2 -62.4 -44.4 -4.5 -20.7 -32.7 24 24 A Q H X S+ 0 0 107 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 113.7 48.1 -65.5 -43.5 -2.8 -21.8 -36.0 25 25 A Q H X S+ 0 0 46 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.897 113.0 48.8 -62.9 -40.5 -6.0 -23.6 -37.1 26 26 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 6,-0.3 0.860 109.5 51.5 -69.3 -36.6 -8.1 -20.6 -36.3 27 27 A A H X>S+ 0 0 10 -4,-2.2 4,-1.4 2,-0.2 5,-0.5 0.901 112.8 45.8 -68.0 -38.4 -5.8 -18.2 -38.1 28 28 A Q H <5S+ 0 0 148 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 114.9 48.8 -66.8 -35.8 -5.9 -20.5 -41.2 29 29 A A H <5S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.851 120.2 34.3 -72.6 -35.9 -9.7 -20.7 -40.8 30 30 A T H <5S- 0 0 28 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.553 100.0-127.8 -99.1 -11.0 -10.4 -17.0 -40.5 31 31 A G T <5S+ 0 0 59 -4,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.649 70.3 120.9 71.4 14.5 -7.6 -15.8 -42.7 32 32 A K S - 0 0 64 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.236 37.1-112.4 -59.5 151.6 -2.8 -13.6 -38.6 34 34 A P G > S+ 0 0 38 0, 0.0 3,-1.5 0, 0.0 247,-0.5 0.768 112.4 68.0 -58.0 -29.9 -2.3 -15.8 -35.5 35 35 A Q G 3 S+ 0 0 112 1,-0.3 245,-1.1 245,-0.2 246,-0.1 0.712 97.0 53.9 -63.5 -22.0 -1.6 -12.8 -33.3 36 36 A Y G < S+ 0 0 64 -3,-1.8 2,-0.4 244,-0.1 -1,-0.3 0.503 87.9 101.0 -92.0 -5.6 -5.2 -11.7 -33.7 37 37 A I < - 0 0 2 -3,-1.5 244,-0.5 -4,-0.3 2,-0.4 -0.660 53.6-164.2 -86.4 131.7 -6.6 -15.0 -32.5 38 38 A A E -a 2 0A 13 -37,-2.4 -35,-2.9 -2,-0.4 2,-0.4 -0.958 4.5-169.6-114.1 133.8 -7.9 -15.4 -29.0 39 39 A V E -aC 3 278A 2 239,-2.9 239,-2.0 -2,-0.4 2,-0.5 -0.985 7.4-178.6-127.8 126.9 -8.5 -18.8 -27.4 40 40 A H E -aC 4 277A 13 -37,-3.2 -35,-2.8 -2,-0.4 2,-0.6 -0.927 3.8-173.1-126.9 105.3 -10.3 -19.5 -24.2 41 41 A V E -aC 5 276A 0 235,-3.2 235,-2.2 -2,-0.5 -35,-0.2 -0.884 4.2-167.0-100.1 122.4 -10.6 -23.1 -23.0 42 42 A V E +a 6 0A 15 -37,-3.6 -35,-2.2 -2,-0.6 3,-0.3 -0.821 20.2 174.5-111.4 91.0 -12.8 -23.6 -19.9 43 43 A P + 0 0 12 0, 0.0 -35,-0.2 0, 0.0 -32,-0.0 -0.211 47.4 45.9 -90.9 179.0 -12.2 -27.2 -18.7 44 44 A D S S+ 0 0 54 -35,-1.9 -36,-0.2 1,-0.2 2,-0.1 0.616 72.7 150.3 64.6 17.4 -13.3 -29.2 -15.6 45 45 A Q - 0 0 5 -38,-1.9 2,-1.0 -3,-0.3 -1,-0.2 -0.430 53.6-120.7 -73.7 152.7 -16.9 -28.1 -15.9 46 46 A L E +F 156 0B 35 110,-2.5 110,-2.6 -2,-0.1 2,-0.5 -0.852 47.0 174.8 -92.3 102.0 -19.7 -30.4 -14.7 47 47 A M E -F 155 0B 2 -2,-1.0 2,-0.5 108,-0.2 108,-0.2 -0.941 25.7-174.9-119.9 127.5 -21.6 -30.8 -17.9 48 48 A A E +F 154 0B 3 106,-1.7 106,-2.0 -2,-0.5 2,-0.4 -0.984 16.8 173.7-111.3 129.5 -24.5 -33.0 -18.8 49 49 A F E -F 153 0B 40 3,-3.2 3,-0.2 -2,-0.5 104,-0.2 -0.925 67.9 -1.1-144.9 112.1 -25.4 -32.8 -22.5 50 50 A G S S- 0 0 35 102,-1.2 100,-0.1 99,-0.4 103,-0.1 0.670 131.2 -59.5 80.0 19.4 -28.0 -35.0 -24.2 51 51 A G S S+ 0 0 49 101,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.606 118.9 107.7 82.9 13.5 -28.6 -36.7 -20.8 52 52 A S - 0 0 23 -3,-0.2 -3,-3.2 98,-0.1 -1,-0.3 -0.952 54.3-163.9-127.5 144.4 -25.0 -37.8 -20.7 53 53 A S + 0 0 65 -2,-0.4 -6,-0.2 -5,-0.2 3,-0.1 0.187 52.9 127.2-108.7 12.4 -22.0 -36.6 -18.7 54 54 A E S S- 0 0 126 1,-0.2 -5,-0.1 -5,-0.1 -46,-0.1 -0.278 79.7 -62.7 -59.0 155.2 -19.5 -38.3 -21.0 55 55 A P S S+ 0 0 64 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.077 72.3 161.2 -41.4 134.5 -16.7 -36.1 -22.3 56 56 A C - 0 0 0 -3,-0.1 -48,-1.0 33,-0.1 -47,-0.5 -0.967 30.0-149.1-154.1 166.2 -18.0 -33.2 -24.4 57 57 A A E -Bd 7 94A 0 36,-2.6 38,-2.9 -2,-0.3 2,-0.6 -0.919 3.7-169.2-147.6 116.7 -17.1 -29.8 -25.8 58 58 A L E -Bd 6 95A 26 -52,-2.7 -52,-2.5 -2,-0.3 2,-0.3 -0.936 24.1-175.6-106.8 113.3 -19.5 -26.9 -26.5 59 59 A C E -Bd 5 96A 5 36,-3.5 38,-2.5 -2,-0.6 2,-0.4 -0.765 16.3-164.7-116.9 153.7 -17.6 -24.3 -28.5 60 60 A S E -Bd 4 97A 15 -56,-2.2 -56,-2.7 -2,-0.3 2,-0.5 -0.999 6.5-157.8-138.2 136.3 -18.3 -20.8 -29.8 61 61 A L E -Bd 3 98A 0 36,-2.5 38,-3.1 -2,-0.4 2,-0.6 -0.963 9.4-168.3-112.6 119.8 -16.5 -18.7 -32.4 62 62 A H E +Bd 2 99A 49 -60,-2.7 -60,-2.4 -2,-0.5 2,-0.3 -0.933 21.5 152.5-108.8 116.0 -17.0 -14.9 -32.2 63 63 A S E - d 0 100A 26 36,-2.1 38,-1.8 -2,-0.6 2,-0.5 -0.988 48.5-103.1-142.5 151.2 -15.8 -13.0 -35.2 64 64 A I S S+ 0 0 34 -2,-0.3 2,-0.2 36,-0.2 38,-0.1 -0.622 80.2 67.5 -76.1 121.1 -16.7 -9.7 -36.9 65 65 A G S S- 0 0 23 -2,-0.5 -2,-0.2 36,-0.4 36,-0.1 -0.563 89.5 -57.1 142.8 153.7 -18.7 -10.4 -40.1 66 66 A K - 0 0 99 -2,-0.2 2,-0.6 1,-0.1 33,-0.0 -0.285 56.1-113.6 -60.6 134.2 -22.0 -11.7 -41.4 67 67 A I - 0 0 71 31,-0.1 2,-0.4 4,-0.0 -1,-0.1 -0.585 41.4-176.4 -73.9 113.9 -22.9 -15.2 -40.2 68 68 A G > - 0 0 28 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.914 30.1-139.4-118.5 142.4 -22.9 -17.5 -43.3 69 69 A G H > S+ 0 0 48 -2,-0.4 4,-2.3 2,-0.2 5,-0.1 0.891 103.5 47.9 -62.9 -45.0 -23.8 -21.2 -43.6 70 70 A A H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 113.3 48.6 -63.9 -42.8 -21.0 -22.1 -46.0 71 71 A Q H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.902 111.2 49.9 -64.6 -42.1 -18.4 -20.3 -43.9 72 72 A N H X S+ 0 0 21 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.892 109.8 52.2 -62.9 -40.1 -19.7 -22.0 -40.7 73 73 A R H X S+ 0 0 122 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 110.5 46.5 -59.3 -49.5 -19.5 -25.4 -42.5 74 74 A S H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.899 110.8 53.3 -62.9 -41.0 -15.9 -24.8 -43.6 75 75 A Y H X S+ 0 0 23 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.930 110.0 48.2 -54.7 -47.5 -15.0 -23.6 -40.0 76 76 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.897 108.3 53.5 -64.4 -42.2 -16.5 -26.9 -38.7 77 77 A K H < S+ 0 0 133 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.884 114.5 43.2 -58.2 -40.2 -14.6 -29.0 -41.2 78 78 A L H < S+ 0 0 69 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.864 124.2 32.0 -73.8 -35.6 -11.3 -27.3 -40.1 79 79 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.826 100.5 71.5 -95.5 -36.2 -12.0 -27.4 -36.3 80 80 A a H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.888 99.6 45.5 -54.8 -52.3 -14.0 -30.5 -35.4 81 81 A G H > S+ 0 0 25 -4,-0.4 4,-2.6 -5,-0.3 5,-0.3 0.885 113.0 51.1 -61.3 -41.9 -11.3 -33.2 -36.0 82 82 A L H > S+ 0 0 27 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.949 114.0 44.0 -59.8 -50.4 -8.7 -31.2 -34.1 83 83 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.961 116.6 44.8 -59.0 -55.5 -11.0 -30.7 -31.1 84 84 A A H X>S+ 0 0 8 -4,-2.9 5,-2.0 -5,-0.2 4,-0.8 0.918 118.6 42.2 -57.2 -48.8 -12.3 -34.3 -31.0 85 85 A E H <5S+ 0 0 138 -4,-2.6 3,-0.3 -5,-0.2 -1,-0.2 0.935 117.6 44.6 -67.1 -47.0 -8.9 -35.9 -31.5 86 86 A R H <5S+ 0 0 75 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.885 121.7 36.7 -67.6 -40.5 -6.9 -33.6 -29.1 87 87 A L H <5S- 0 0 6 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.494 106.0-124.3 -91.5 -3.7 -9.5 -33.6 -26.3 88 88 A R T <5 + 0 0 218 -4,-0.8 2,-0.4 -3,-0.3 -3,-0.2 0.953 59.8 145.9 57.3 53.7 -10.4 -37.3 -26.8 89 89 A I < - 0 0 8 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.941 58.1-104.1-119.6 140.9 -14.1 -36.5 -27.2 90 90 A S > - 0 0 62 -2,-0.4 3,-2.9 -35,-0.4 135,-0.1 -0.471 31.8-125.1 -62.0 132.2 -16.5 -38.3 -29.5 91 91 A P G > S+ 0 0 38 0, 0.0 3,-1.1 0, 0.0 134,-0.5 0.730 109.9 61.1 -54.5 -26.1 -17.2 -36.1 -32.5 92 92 A D G 3 S+ 0 0 79 1,-0.2 -2,-0.1 133,-0.2 134,-0.0 0.506 101.8 53.8 -81.6 -4.1 -20.9 -36.2 -31.9 93 93 A R G < S+ 0 0 21 -3,-2.9 -36,-2.6 131,-0.1 2,-0.5 0.138 90.8 87.7-113.4 17.7 -20.3 -34.6 -28.5 94 94 A V E < +d 57 0A 0 -3,-1.1 131,-2.5 -38,-0.2 2,-0.4 -0.980 57.0 179.9-113.3 122.6 -18.4 -31.7 -29.9 95 95 A Y E -dE 58 224A 60 -38,-2.9 -36,-3.5 -2,-0.5 2,-0.4 -0.956 11.8-163.0-123.4 142.0 -20.6 -28.7 -31.0 96 96 A I E -dE 59 223A 0 127,-1.7 127,-2.9 -2,-0.4 2,-0.4 -0.989 3.1-170.3-124.8 128.8 -19.6 -25.4 -32.5 97 97 A N E -d 60 0A 38 -38,-2.5 -36,-2.5 -2,-0.4 2,-0.5 -0.891 13.8-143.5-110.3 148.2 -21.8 -22.2 -32.6 98 98 A Y E -d 61 0A 8 123,-0.5 2,-0.4 -2,-0.4 -36,-0.2 -0.946 16.5-171.5-119.4 130.0 -20.9 -19.2 -34.6 99 99 A Y E -d 62 0A 92 -38,-3.1 -36,-2.1 -2,-0.5 2,-0.6 -0.922 23.7-127.6-124.9 143.8 -21.6 -15.6 -33.5 100 100 A D E -d 63 0A 87 -2,-0.4 -36,-0.2 -38,-0.2 2,-0.2 -0.784 30.7-135.6 -86.8 117.3 -21.3 -12.2 -35.1 101 101 A M - 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