==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 05-APR-11 3RF5 . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ANCYLOSTOMA CEYLANICUM; . AUTHOR Y.CHO,E.LOLIS . 348 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.1 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 . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 23.9 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 1 2 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 10 0, 0.0 37,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.2 26.9 -22.9 28.7 2 2 A M E -aB 38 62A 13 60,-2.2 60,-3.0 35,-0.2 2,-0.4 -0.974 360.0-172.4-141.8 117.8 29.3 -21.6 26.1 3 3 A V E -aB 39 61A 2 35,-2.5 37,-2.9 -2,-0.4 2,-0.5 -0.915 12.1-164.6-124.4 135.5 31.5 -24.1 24.5 4 4 A R E -aB 40 60A 17 56,-3.0 56,-2.7 -2,-0.4 2,-0.5 -0.987 4.0-170.8-125.7 127.8 34.4 -23.7 22.2 5 5 A V E -aB 41 59A 2 35,-2.8 37,-3.0 -2,-0.5 2,-0.4 -0.967 5.9-178.4-120.0 111.1 35.8 -26.7 20.2 6 6 A A E +aB 42 58A 0 52,-2.9 52,-2.6 -2,-0.5 2,-0.3 -0.921 8.3 170.5-107.8 136.3 39.0 -26.1 18.3 7 7 A T E - B 0 57A 0 35,-2.8 38,-2.2 -2,-0.4 50,-0.2 -0.991 41.6-141.7-140.7 149.1 40.6 -28.9 16.2 8 8 A N S S+ 0 0 34 48,-1.1 49,-0.1 -2,-0.3 35,-0.1 0.450 77.1 107.6 -80.9 -5.1 43.4 -29.4 13.7 9 9 A L S S- 0 0 22 47,-0.5 35,-3.8 1,-0.1 36,-0.4 -0.483 84.7 -97.0 -64.9 147.9 41.0 -31.8 11.9 10 10 A P > - 0 0 61 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.291 27.2-114.8 -65.4 150.8 39.6 -30.4 8.6 11 11 A D G > S+ 0 0 84 1,-0.2 3,-1.8 2,-0.2 -2,-0.1 0.852 116.5 60.2 -49.8 -44.5 36.2 -28.8 8.7 12 12 A K G 3 S+ 0 0 95 1,-0.3 -1,-0.2 3,-0.0 4,-0.1 0.765 100.8 59.1 -55.8 -26.4 34.8 -31.6 6.3 13 13 A D G < S+ 0 0 88 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.590 90.9 72.6 -81.3 -7.5 35.8 -34.0 9.1 14 14 A V S < S- 0 0 4 -3,-1.8 -1,-0.1 -4,-0.4 4,-0.1 -0.880 92.1-131.8-105.8 102.1 33.5 -32.2 11.7 15 15 A P > - 0 0 48 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.045 13.1-113.1 -64.1 164.5 30.1 -33.3 10.6 16 16 A A T 3 S+ 0 0 82 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.745 116.1 53.7 -64.4 -27.9 27.2 -30.8 10.2 17 17 A N T 3> S+ 0 0 83 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.265 80.0 101.3 -91.2 8.2 25.2 -32.3 13.1 18 18 A F H <> S+ 0 0 1 -3,-1.7 4,-2.4 2,-0.2 5,-0.2 0.958 82.9 44.3 -56.9 -53.5 28.2 -32.0 15.5 19 19 A E H > S+ 0 0 0 -4,-0.3 4,-2.8 -3,-0.3 -1,-0.2 0.911 113.0 52.4 -61.0 -44.9 26.9 -28.8 17.2 20 20 A E H > S+ 0 0 66 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.935 113.9 42.5 -51.4 -52.7 23.3 -30.3 17.5 21 21 A R H X S+ 0 0 104 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.866 114.0 49.6 -71.7 -33.3 24.5 -33.4 19.2 22 22 A L H X S+ 0 0 4 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.907 109.0 54.5 -67.3 -43.1 27.0 -31.7 21.4 23 23 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.958 111.4 44.7 -54.2 -48.4 24.2 -29.3 22.4 24 24 A D H X S+ 0 0 72 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.914 112.0 52.2 -62.0 -45.8 22.0 -32.4 23.4 25 25 A L H X S+ 0 0 30 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.901 114.3 42.0 -59.2 -46.6 24.9 -34.1 25.2 26 26 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 6,-0.4 0.892 110.0 56.2 -67.6 -41.3 25.6 -30.9 27.3 27 27 A A H X>S+ 0 0 23 -4,-2.7 5,-1.3 -5,-0.2 4,-1.2 0.943 116.9 38.4 -53.3 -48.6 21.9 -30.1 28.0 28 28 A E H <5S+ 0 0 158 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.940 118.4 44.8 -71.3 -48.3 21.6 -33.6 29.5 29 29 A S H <5S+ 0 0 6 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.885 126.4 33.5 -66.6 -32.6 24.9 -33.9 31.3 30 30 A M H <5S- 0 0 7 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.543 99.2-128.5 -97.4 -7.1 24.6 -30.4 32.7 31 31 A N T <5 + 0 0 151 -4,-1.2 -3,-0.2 -3,-0.3 -4,-0.2 0.933 62.4 141.6 47.7 51.2 20.8 -30.2 33.2 32 32 A K < - 0 0 50 -5,-1.3 -1,-0.2 -6,-0.4 -2,-0.1 -0.924 57.4-101.5-116.8 147.2 20.9 -26.9 31.3 33 33 A P > - 0 0 68 0, 0.0 3,-2.1 0, 0.0 251,-0.1 -0.423 23.2-125.2 -69.9 138.1 18.3 -25.8 28.8 34 34 A R G > S+ 0 0 102 1,-0.3 3,-1.5 2,-0.1 250,-0.5 0.851 108.6 62.1 -41.5 -46.2 19.0 -26.1 25.1 35 35 A N G 3 S+ 0 0 86 1,-0.3 -1,-0.3 249,-0.1 3,-0.0 0.374 101.1 53.3 -72.5 6.2 18.3 -22.4 24.5 36 36 A R G < S+ 0 0 109 -3,-2.1 2,-0.5 2,-0.0 -1,-0.3 -0.067 89.1 97.8-122.0 26.7 21.1 -21.4 26.9 37 37 A I < - 0 0 0 -3,-1.5 247,-2.6 -35,-0.0 248,-0.5 -0.973 47.4-177.9-124.2 120.4 23.8 -23.4 25.1 38 38 A A E -aC 2 283A 0 -37,-2.4 -35,-2.5 -2,-0.5 2,-0.4 -0.918 4.9-167.8-116.1 137.6 26.2 -21.9 22.5 39 39 A I E -aC 3 282A 0 243,-2.8 243,-2.4 -2,-0.4 2,-0.5 -0.995 4.6-167.4-126.7 126.6 28.8 -23.9 20.6 40 40 A E E -aC 4 281A 2 -37,-2.9 -35,-2.8 -2,-0.4 2,-0.5 -0.939 6.9-165.0-106.8 136.9 31.7 -22.5 18.6 41 41 A V E -aC 5 280A 3 239,-2.4 239,-0.8 -2,-0.5 2,-0.5 -0.987 9.4-179.3-121.0 128.2 33.5 -24.9 16.3 42 42 A L E +a 6 0A 8 -37,-3.0 -35,-2.8 -2,-0.5 3,-0.3 -0.919 16.2 169.0-124.1 100.9 36.9 -23.9 14.8 43 43 A A + 0 0 19 -2,-0.5 -35,-0.2 -37,-0.2 -32,-0.1 -0.530 56.0 43.9-105.8 174.7 38.3 -26.7 12.6 44 44 A G S S+ 0 0 56 -35,-3.8 -36,-0.2 1,-0.2 2,-0.2 0.729 86.8 148.2 63.3 21.6 41.2 -26.7 10.1 45 45 A Q - 0 0 42 -38,-2.2 2,-0.7 -36,-0.4 -1,-0.2 -0.555 57.9-106.5 -91.9 151.7 43.2 -24.9 12.9 46 46 A R E +H 158 0B 42 112,-0.8 112,-2.5 -2,-0.2 2,-0.4 -0.680 55.4 157.8 -70.9 110.8 46.9 -25.0 13.8 47 47 A I E -H 157 0B 0 -2,-0.7 2,-0.3 110,-0.2 110,-0.2 -0.989 20.8-173.7-138.1 135.2 47.1 -26.9 16.9 48 48 A T E -H 156 0B 1 108,-2.8 108,-2.8 -2,-0.4 2,-0.4 -0.934 8.0-168.6-121.9 152.4 49.9 -28.9 18.6 49 49 A H E > S-HI 155 52B 17 3,-1.8 3,-1.6 -2,-0.3 106,-0.2 -0.974 91.1 -5.9-135.7 120.7 50.0 -31.2 21.6 50 50 A G T 3 S- 0 0 15 104,-2.6 102,-0.1 101,-0.5 105,-0.1 0.852 129.8 -67.0 53.9 38.2 53.5 -32.1 22.8 51 51 A A T 3 S+ 0 0 19 103,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.315 108.1 131.6 61.4 -1.2 54.4 -30.3 19.6 52 52 A S B < -I 49 0B 34 -3,-1.6 -3,-1.8 1,-0.1 -1,-0.2 -0.597 53.4-151.5 -77.0 137.4 52.8 -33.0 17.6 53 53 A R + 0 0 113 -2,-0.3 3,-0.1 -5,-0.2 -1,-0.1 0.235 52.6 133.2 -87.6 10.6 50.3 -32.1 14.7 54 54 A N S S- 0 0 107 -5,-0.2 -46,-0.1 1,-0.1 -5,-0.1 -0.251 75.9 -72.0 -55.5 157.2 48.4 -35.4 15.2 55 55 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.227 71.3 154.6 -53.7 134.0 44.6 -35.0 15.3 56 56 A V - 0 0 0 -3,-0.1 -48,-1.1 33,-0.1 -47,-0.5 -0.987 34.2-141.7-156.5 155.7 43.5 -33.3 18.6 57 57 A A E -Bd 7 94A 0 36,-2.1 38,-2.5 -2,-0.3 2,-0.5 -0.995 6.9-164.1-123.3 135.8 40.6 -31.2 20.1 58 58 A V E -Bd 6 95A 1 -52,-2.6 -52,-2.9 -2,-0.4 2,-0.4 -0.996 20.7-171.5-115.6 124.4 41.1 -28.4 22.6 59 59 A I E -Bd 5 96A 2 36,-3.2 38,-2.6 -2,-0.5 2,-0.4 -0.925 17.6-161.8-124.3 138.7 37.8 -27.6 24.2 60 60 A K E -Bd 4 97A 17 -56,-2.7 -56,-3.0 -2,-0.4 2,-0.5 -0.979 7.3-169.4-119.6 135.9 36.6 -24.8 26.5 61 61 A V E -Bd 3 98A 0 36,-2.9 38,-2.6 -2,-0.4 2,-0.4 -0.964 4.4-177.4-128.3 109.8 33.4 -25.1 28.5 62 62 A E E +Bd 2 99A 10 -60,-3.0 -60,-2.2 -2,-0.5 2,-0.3 -0.876 14.8 154.2-100.9 140.7 31.9 -22.1 30.4 63 63 A S E - d 0 100A 0 36,-2.3 38,-3.0 -2,-0.4 2,-1.3 -0.980 50.5-115.1-159.9 154.7 28.8 -22.4 32.5 64 64 A I S S- 0 0 45 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.765 89.9 -42.0 -89.5 94.2 27.1 -20.7 35.5 65 65 A G S S+ 0 0 24 -2,-1.3 36,-0.2 36,-0.3 34,-0.1 -0.267 96.2 105.1 79.1-171.0 27.4 -23.7 37.8 66 66 A A + 0 0 31 34,-0.1 -1,-0.1 1,-0.1 -2,-0.1 0.717 65.9 100.6 62.1 28.2 26.8 -27.4 36.9 67 67 A L + 0 0 1 -4,-0.1 33,-0.1 4,-0.1 -2,-0.1 -0.211 42.1 148.9-133.9 43.4 30.6 -27.8 37.0 68 68 A S > - 0 0 57 1,-0.1 4,-2.5 154,-0.0 5,-0.2 -0.262 67.4 -96.1 -65.0 167.7 31.4 -29.4 40.4 69 69 A A H > S+ 0 0 32 1,-0.2 4,-1.0 2,-0.2 160,-0.2 0.876 129.3 44.5 -49.3 -41.4 34.5 -31.7 40.6 70 70 A D H > S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.837 109.5 53.4 -74.9 -44.4 32.1 -34.6 40.2 71 71 A D H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.877 105.8 56.3 -52.0 -44.8 30.1 -33.0 37.4 72 72 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.750 100.8 55.1 -70.7 -29.4 33.3 -32.5 35.5 73 73 A I H X S+ 0 0 63 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.940 113.0 45.3 -60.3 -50.5 34.3 -36.2 35.6 74 74 A R H X S+ 0 0 96 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.925 113.3 47.4 -59.4 -49.5 30.9 -36.9 34.0 75 75 A H H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.899 113.8 49.7 -58.1 -40.9 31.2 -34.1 31.4 76 76 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.926 109.9 49.6 -65.5 -44.6 34.7 -35.2 30.6 77 77 A Q H X S+ 0 0 93 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.947 116.7 41.8 -58.2 -51.3 33.7 -38.9 30.1 78 78 A K H X S+ 0 0 65 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.934 115.8 47.3 -67.1 -45.6 30.8 -38.0 27.8 79 79 A I H X S+ 0 0 3 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.918 114.5 46.8 -62.5 -45.8 32.6 -35.3 25.8 80 80 A T H X S+ 0 0 1 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.952 113.1 48.4 -61.6 -50.3 35.7 -37.5 25.2 81 81 A Q H X S+ 0 0 79 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.927 112.6 51.2 -54.5 -45.1 33.5 -40.5 24.2 82 82 A F H X S+ 0 0 13 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.880 109.2 47.9 -61.4 -39.0 31.6 -38.2 21.9 83 83 A C H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 6,-1.4 0.863 111.3 52.9 -70.7 -37.9 34.8 -36.9 20.3 84 84 A Q H X S+ 0 0 55 -4,-2.8 4,-1.1 4,-0.2 -2,-0.2 0.951 113.3 42.3 -53.9 -52.5 36.0 -40.5 19.9 85 85 A D H < S+ 0 0 89 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.815 127.4 28.3 -70.1 -38.3 32.7 -41.6 18.1 86 86 A T H < S+ 0 0 15 -4,-2.2 -3,-0.2 -5,-0.2 -1,-0.2 0.748 132.7 28.8 -99.5 -28.6 32.3 -38.5 15.8 87 87 A L H < S- 0 0 10 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.440 94.3-128.3-108.8 -4.1 35.9 -37.2 15.2 88 88 A K < + 0 0 166 -4,-1.1 -4,-0.2 -5,-0.4 -3,-0.1 0.762 52.8 158.5 63.0 27.4 37.7 -40.6 15.6 89 89 A L - 0 0 5 -6,-1.4 -1,-0.2 -9,-0.1 -2,-0.1 -0.622 46.4-109.2 -82.8 146.9 40.1 -38.9 18.1 90 90 A P > - 0 0 66 0, 0.0 3,-2.2 0, 0.0 136,-0.1 -0.333 31.4-111.2 -62.2 148.9 42.0 -41.1 20.6 91 91 A K G > S+ 0 0 108 1,-0.3 3,-0.6 2,-0.1 135,-0.4 0.803 118.9 53.8 -49.5 -34.5 40.8 -40.8 24.2 92 92 A D G 3 S+ 0 0 78 1,-0.2 -1,-0.3 134,-0.2 3,-0.0 0.165 94.9 70.0 -93.9 20.2 44.0 -39.1 25.1 93 93 A K G < S+ 0 0 25 -3,-2.2 -36,-2.1 -13,-0.1 2,-0.4 -0.061 75.7 91.2-122.2 28.4 43.7 -36.4 22.4 94 94 A V E < -d 57 0A 0 -3,-0.6 2,-0.5 -38,-0.2 132,-0.5 -0.940 53.6-174.5-129.9 107.7 40.8 -34.5 23.9 95 95 A I E -d 58 0A 12 -38,-2.5 -36,-3.2 -2,-0.4 2,-0.4 -0.910 6.4-175.1-110.7 122.1 41.8 -31.6 26.2 96 96 A I E -dE 59 224A 0 128,-2.8 128,-3.2 -2,-0.5 2,-0.4 -0.969 13.7-167.0-125.8 133.4 39.1 -29.7 28.1 97 97 A T E -dE 60 223A 0 -38,-2.6 -36,-2.9 -2,-0.4 2,-0.4 -0.975 12.6-153.9-114.7 138.3 39.0 -26.6 30.4 98 98 A Y E -d 61 0A 2 124,-2.6 2,-0.5 -2,-0.4 -36,-0.2 -0.870 5.2-164.8-108.8 145.9 36.0 -25.8 32.5 99 99 A F E -d 62 0A 28 -38,-2.6 -36,-2.3 -2,-0.4 2,-0.8 -0.973 7.9-155.6-132.7 112.4 35.1 -22.2 33.7 100 100 A D E -d 63 0A 83 -2,-0.5 -36,-0.2 -38,-0.2 2,-0.2 -0.823 23.8-157.8 -94.1 110.6 32.6 -22.0 36.4 101 101 A L - 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