==== 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 3RF4 . 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) . 13382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 71.8 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 . 61 17.5 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 . 35 10.1 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 . 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 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 8 0, 0.0 37,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.8 -49.7 39.9 9.6 2 2 A M E -aB 38 62A 13 60,-2.3 60,-2.6 35,-0.2 2,-0.4 -0.960 360.0-175.6-131.5 119.5 -47.3 38.7 7.1 3 3 A V E -aB 39 61A 3 35,-2.9 37,-3.1 -2,-0.4 2,-0.4 -0.898 13.5-165.8-124.1 143.2 -48.4 35.4 5.5 4 4 A R E -aB 40 60A 11 56,-2.5 56,-2.7 -2,-0.4 2,-0.5 -0.996 4.9-168.2-130.3 130.5 -46.6 33.2 3.0 5 5 A V E -aB 41 59A 2 35,-2.7 37,-3.1 -2,-0.4 2,-0.4 -0.979 6.9-176.6-119.8 115.2 -48.6 30.4 1.2 6 6 A A E +aB 42 58A 0 52,-2.8 52,-2.9 -2,-0.5 2,-0.3 -0.926 8.5 169.4-110.5 134.9 -46.5 27.9 -0.7 7 7 A T E - B 0 57A 0 35,-2.7 38,-2.3 -2,-0.4 50,-0.2 -0.992 42.9-141.2-144.1 152.1 -48.1 25.2 -2.8 8 8 A N S S+ 0 0 32 48,-1.2 49,-0.1 -2,-0.3 35,-0.1 0.436 77.7 107.3 -84.1 -1.9 -47.2 22.5 -5.4 9 9 A L S S- 0 0 22 47,-0.5 35,-3.3 1,-0.1 36,-0.4 -0.444 85.7 -97.6 -69.0 141.9 -50.5 23.4 -7.1 10 10 A P > - 0 0 63 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.345 25.5-115.6 -61.4 154.5 -49.9 25.3 -10.4 11 11 A D G > S+ 0 0 85 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.876 117.0 63.0 -56.6 -37.3 -50.1 29.1 -10.3 12 12 A K G 3 S+ 0 0 119 1,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.776 99.8 56.2 -60.8 -24.4 -53.1 28.8 -12.7 13 13 A D G < S+ 0 0 92 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.546 89.5 77.4 -85.6 -8.4 -54.9 26.9 -9.9 14 14 A V S < S- 0 0 4 -3,-1.8 73,-0.1 -4,-0.4 -1,-0.1 -0.908 91.0-128.2 -99.4 108.0 -54.5 29.7 -7.3 15 15 A P > - 0 0 42 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.149 11.4-117.1 -66.3 156.6 -57.2 32.2 -8.4 16 16 A A T 3 S+ 0 0 80 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.704 116.2 54.4 -61.9 -23.7 -56.3 35.8 -8.9 17 17 A N T 3> S+ 0 0 83 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.262 79.8 99.9 -92.0 7.7 -58.7 36.8 -6.0 18 18 A F H <> S+ 0 0 1 -3,-2.0 4,-2.8 1,-0.2 5,-0.3 0.956 82.5 46.2 -61.5 -55.1 -56.9 34.4 -3.6 19 19 A E H > S+ 0 0 0 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.893 113.8 49.5 -55.7 -42.6 -54.9 37.1 -1.9 20 20 A E H > S+ 0 0 66 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.935 113.5 44.3 -61.0 -48.1 -57.9 39.4 -1.6 21 21 A R H X S+ 0 0 100 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.887 114.5 48.5 -69.2 -36.5 -60.1 36.8 -0.1 22 22 A L H X S+ 0 0 4 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.857 108.4 55.7 -70.1 -35.2 -57.4 35.6 2.3 23 23 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.964 110.3 45.7 -58.9 -48.8 -56.7 39.3 3.4 24 24 A D H X S+ 0 0 74 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.919 112.6 50.7 -60.7 -44.1 -60.4 39.7 4.3 25 25 A L H X S+ 0 0 32 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.910 114.4 42.2 -59.0 -47.2 -60.5 36.3 6.2 26 26 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 6,-0.4 0.854 109.8 57.8 -73.7 -32.9 -57.3 37.1 8.3 27 27 A A H X>S+ 0 0 24 -4,-2.5 5,-1.2 -5,-0.3 4,-0.8 0.948 115.0 38.8 -62.7 -42.3 -58.5 40.8 8.9 28 28 A E H <5S+ 0 0 104 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.951 118.9 45.2 -73.9 -48.1 -61.7 39.3 10.5 29 29 A S H <5S+ 0 0 5 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.861 124.7 33.3 -66.1 -34.0 -60.1 36.3 12.3 30 30 A M H <5S- 0 0 6 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.430 100.5-126.2-100.2 -3.6 -57.1 38.4 13.7 31 31 A N T <5 + 0 0 151 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.953 63.3 142.7 46.8 49.5 -58.9 41.7 14.2 32 32 A K < - 0 0 52 -5,-1.2 -1,-0.2 -6,-0.4 -2,-0.1 -0.935 56.3-102.7-113.5 147.5 -56.1 43.3 12.2 33 33 A P > - 0 0 72 0, 0.0 3,-2.3 0, 0.0 251,-0.1 -0.401 25.0-123.9 -66.5 143.5 -56.5 46.1 9.6 34 34 A R G > S+ 0 0 101 1,-0.3 3,-1.7 2,-0.2 250,-0.6 0.865 110.9 60.3 -49.8 -43.2 -56.4 45.3 5.9 35 35 A N G 3 S+ 0 0 84 1,-0.3 -1,-0.3 249,-0.1 3,-0.0 0.356 100.7 55.1 -74.4 8.2 -53.5 47.7 5.4 36 36 A R G < S+ 0 0 113 -3,-2.3 2,-0.5 247,-0.0 -1,-0.3 0.031 90.0 93.9-117.3 20.2 -51.3 45.7 7.9 37 37 A I < - 0 0 0 -3,-1.7 247,-2.7 -5,-0.1 248,-0.5 -0.970 48.8-178.8-120.1 126.6 -51.7 42.4 6.1 38 38 A A E -aC 2 283A 3 -37,-2.3 -35,-2.9 -2,-0.5 2,-0.5 -0.948 6.4-165.1-121.4 140.1 -49.2 41.1 3.5 39 39 A I E -aC 3 282A 0 243,-2.4 243,-2.3 -2,-0.4 2,-0.4 -0.982 5.1-167.3-127.6 124.8 -49.6 37.9 1.6 40 40 A E E -aC 4 281A 2 -37,-3.1 -35,-2.7 -2,-0.5 2,-0.4 -0.891 7.8-165.6-102.4 136.1 -47.0 36.1 -0.4 41 41 A V E -aC 5 280A 3 239,-2.7 239,-0.7 -2,-0.4 2,-0.5 -0.993 8.6-178.6-124.0 132.1 -48.1 33.3 -2.7 42 42 A L E +a 6 0A 17 -37,-3.1 -35,-2.7 -2,-0.4 3,-0.3 -0.875 16.7 168.4-129.2 95.6 -45.6 30.8 -4.2 43 43 A A + 0 0 26 -2,-0.5 -35,-0.2 -37,-0.2 -32,-0.1 -0.525 55.2 42.9-103.9 172.7 -47.3 28.3 -6.4 44 44 A G S S+ 0 0 54 -35,-3.3 -36,-0.2 1,-0.2 -1,-0.2 0.743 85.8 145.6 72.0 16.1 -45.9 25.8 -8.8 45 45 A Q - 0 0 22 -38,-2.3 2,-0.7 -36,-0.4 -1,-0.2 -0.527 58.6-107.4 -93.1 154.9 -43.3 25.0 -6.2 46 46 A R E +H 158 0B 42 112,-0.8 112,-2.7 -2,-0.2 2,-0.4 -0.706 54.4 156.6 -73.3 114.6 -41.6 21.6 -5.4 47 47 A I E -H 157 0B 1 -2,-0.7 2,-0.3 110,-0.2 110,-0.2 -0.994 21.1-170.6-136.6 139.8 -43.1 20.5 -2.1 48 48 A T E -H 156 0B 0 108,-2.5 108,-1.9 -2,-0.4 2,-0.4 -0.887 8.9-165.3-121.3 156.5 -43.4 17.1 -0.6 49 49 A H E > S-HI 155 52B 17 3,-1.8 3,-1.5 -2,-0.3 106,-0.2 -0.940 91.4 -7.9-138.5 121.2 -45.4 15.9 2.5 50 50 A G T 3 S- 0 0 15 104,-2.8 102,-0.1 101,-0.5 105,-0.1 0.858 129.3 -65.5 49.0 41.6 -44.3 12.4 3.6 51 51 A A T 3 S+ 0 0 18 103,-0.5 -1,-0.3 1,-0.2 2,-0.2 0.285 108.3 131.5 63.1 -0.8 -42.3 12.5 0.4 52 52 A S B < -I 49 0B 36 -3,-1.5 -3,-1.8 1,-0.1 -1,-0.2 -0.574 52.3-152.2 -74.6 136.5 -45.6 12.5 -1.6 53 53 A R + 0 0 111 -2,-0.2 -1,-0.1 -5,-0.2 3,-0.1 0.212 53.0 131.9 -89.2 15.7 -46.0 15.2 -4.4 54 54 A N S S- 0 0 102 -5,-0.2 -46,-0.1 1,-0.1 -45,-0.1 -0.321 75.5 -70.6 -64.9 161.0 -49.7 15.2 -4.0 55 55 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.155 70.8 153.4 -59.3 135.6 -51.3 18.8 -3.7 56 56 A V - 0 0 0 -3,-0.1 -48,-1.2 33,-0.1 -47,-0.5 -0.975 34.1-142.3-156.2 156.1 -50.5 20.5 -0.4 57 57 A A E -Bd 7 94A 0 36,-2.3 38,-2.7 -2,-0.3 2,-0.5 -0.991 6.5-164.6-124.6 141.2 -50.1 23.9 1.0 58 58 A V E -Bd 6 95A 0 -52,-2.9 -52,-2.8 -2,-0.4 2,-0.4 -0.989 19.9-173.8-123.1 122.4 -47.4 25.0 3.5 59 59 A I E -Bd 5 96A 2 36,-3.4 38,-2.3 -2,-0.5 2,-0.5 -0.910 17.5-161.1-128.0 140.2 -48.3 28.3 5.1 60 60 A K E -Bd 4 97A 18 -56,-2.7 -56,-2.5 -2,-0.4 2,-0.5 -0.982 7.6-168.8-115.4 133.7 -46.5 30.7 7.5 61 61 A V E -Bd 3 98A 0 36,-3.2 38,-2.5 -2,-0.5 2,-0.4 -0.963 4.7-177.7-124.9 118.3 -48.4 33.3 9.4 62 62 A E E +Bd 2 99A 12 -60,-2.6 -60,-2.3 -2,-0.5 2,-0.3 -0.857 14.2 155.9-104.1 142.2 -46.4 36.1 11.3 63 63 A S E - d 0 100A 0 36,-2.2 38,-2.7 -2,-0.4 2,-1.3 -0.970 50.4-113.9-159.1 152.9 -48.3 38.6 13.4 64 64 A I S S- 0 0 46 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.717 91.4 -41.2 -88.2 94.8 -47.7 40.9 16.4 65 65 A G S S+ 0 0 23 -2,-1.3 36,-0.2 36,-0.3 34,-0.1 -0.272 96.8 106.0 74.3-168.4 -50.1 39.2 18.7 66 66 A A + 0 0 29 1,-0.1 -1,-0.1 34,-0.1 -2,-0.1 0.608 64.7 101.4 64.0 22.4 -53.5 37.8 17.8 67 67 A L + 0 0 2 -4,-0.1 33,-0.1 4,-0.1 -2,-0.1 -0.282 42.8 149.3-130.6 41.9 -51.9 34.3 17.9 68 68 A S > - 0 0 54 1,-0.1 4,-2.6 154,-0.0 5,-0.2 -0.322 65.0-100.9 -64.6 165.2 -53.0 32.9 21.3 69 69 A A H > S+ 0 0 34 1,-0.2 4,-1.0 2,-0.2 160,-0.1 0.908 128.0 43.8 -48.5 -46.4 -53.5 29.1 21.6 70 70 A D H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.862 111.1 52.7 -68.2 -43.4 -57.2 29.7 21.3 71 71 A D H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.873 105.8 56.5 -55.6 -41.0 -56.9 32.2 18.4 72 72 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.773 101.0 55.3 -71.0 -28.4 -54.7 29.7 16.5 73 73 A I H X S+ 0 0 61 -4,-1.0 4,-2.4 -5,-0.2 -1,-0.2 0.941 111.8 45.0 -62.2 -48.0 -57.4 27.1 16.6 74 74 A R H X S+ 0 0 92 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.939 114.1 48.5 -65.2 -48.2 -59.9 29.6 15.0 75 75 A H H X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.899 112.0 49.7 -58.8 -39.0 -57.3 30.8 12.3 76 76 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.899 110.9 48.8 -68.8 -44.6 -56.4 27.2 11.4 77 77 A Q H X S+ 0 0 94 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.944 116.9 42.9 -56.7 -44.6 -60.1 26.2 11.0 78 78 A K H X S+ 0 0 72 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.935 117.0 43.5 -72.4 -47.2 -60.7 29.2 8.8 79 79 A I H X S+ 0 0 2 -4,-3.2 4,-2.1 -5,-0.2 -1,-0.2 0.887 114.5 50.5 -63.2 -36.9 -57.6 29.0 6.7 80 80 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.945 112.8 46.4 -70.1 -48.6 -57.9 25.2 6.2 81 81 A Q H X S+ 0 0 77 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.883 112.0 51.9 -56.9 -43.0 -61.6 25.6 5.1 82 82 A F H X S+ 0 0 15 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.876 110.3 47.5 -63.1 -38.0 -60.6 28.5 2.8 83 83 A C H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 6,-1.4 0.840 111.1 51.7 -72.5 -34.5 -57.9 26.3 1.2 84 84 A Q H X S+ 0 0 52 -4,-2.1 4,-0.8 4,-0.2 -2,-0.2 0.920 115.6 42.3 -62.5 -46.2 -60.3 23.4 0.8 85 85 A D H < S+ 0 0 96 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.878 127.3 28.0 -68.3 -43.4 -62.9 25.8 -0.9 86 86 A T H < S+ 0 0 18 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.822 133.2 28.2 -94.8 -30.1 -60.5 27.6 -3.2 87 87 A L H < S- 0 0 10 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.378 94.7-127.3-108.9 -4.8 -57.6 25.2 -3.8 88 88 A K < + 0 0 121 -4,-0.8 -4,-0.2 -5,-0.3 -3,-0.1 0.740 52.8 159.0 61.1 26.1 -59.6 22.0 -3.5 89 89 A L - 0 0 4 -6,-1.4 -1,-0.2 -9,-0.1 -2,-0.1 -0.534 46.0-107.7 -79.0 146.5 -57.0 20.7 -1.0 90 90 A P > - 0 0 67 0, 0.0 3,-2.1 0, 0.0 136,-0.1 -0.321 31.8-111.7 -61.6 149.5 -57.9 17.9 1.4 91 91 A K G > S+ 0 0 110 1,-0.3 3,-0.5 2,-0.1 135,-0.3 0.821 119.0 53.1 -51.1 -32.1 -58.4 19.0 5.0 92 92 A D G 3 S+ 0 0 79 1,-0.2 -1,-0.3 134,-0.2 -12,-0.0 0.150 95.4 71.9 -94.3 20.7 -55.2 17.1 6.0 93 93 A K G < S+ 0 0 26 -3,-2.1 -36,-2.3 -13,-0.1 2,-0.5 -0.037 73.9 89.4-121.3 28.9 -53.0 18.8 3.2 94 94 A V E < -d 57 0A 0 -3,-0.5 2,-0.5 -38,-0.2 132,-0.4 -0.956 54.5-173.4-131.5 111.2 -52.8 22.3 4.8 95 95 A I E -d 58 0A 11 -38,-2.7 -36,-3.4 -2,-0.5 2,-0.4 -0.910 7.2-173.8-111.3 122.9 -49.7 22.7 7.1 96 96 A I E -dE 59 224A 0 128,-2.8 128,-3.3 -2,-0.5 2,-0.4 -0.961 13.8-168.6-126.4 134.3 -49.5 26.1 9.0 97 97 A T E -dE 60 223A 0 -38,-2.3 -36,-3.2 -2,-0.4 2,-0.4 -0.988 12.8-154.8-115.6 134.6 -46.8 27.6 11.3 98 98 A Y E -d 61 0A 1 124,-3.0 2,-0.5 -2,-0.4 -36,-0.2 -0.875 5.0-164.9-109.8 141.9 -47.6 30.7 13.4 99 99 A F E -d 62 0A 29 -38,-2.5 -36,-2.2 -2,-0.4 2,-0.7 -0.976 7.8-155.4-128.2 115.7 -44.9 33.2 14.6 100 100 A D E -d 63 0A 83 -2,-0.5 2,-0.2 -38,-0.2 -36,-0.2 -0.818 23.2-161.0 -97.8 111.3 -46.0 35.6 17.3 101 101 A L - 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