==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE 19-JAN-09 3FWT . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR-LIKE . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR M.D.WALKINSHAW,J.M.RICHARDSON . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 12.9 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 . 2 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 . 6 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 0 0 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 . 1 1 0 0 0 0 0 1 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 . 1 0 1 0 0 0 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 -3 A G 0 0 80 0, 0.0 70,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -89.6 11.3 17.3 30.3 2 -2 A S E +A 70 0A 10 33,-0.4 35,-0.3 68,-0.2 2,-0.3 -0.861 360.0 169.6-107.6 132.5 12.5 16.9 26.7 3 -1 A H E +A 69 0A 37 66,-1.8 66,-2.9 -2,-0.4 113,-0.0 -0.871 45.8 24.3-138.6 165.8 12.0 19.6 24.1 4 0 A M E S- 0 0 53 -2,-0.3 -1,-0.2 64,-0.2 38,-0.1 0.888 72.4-155.4 51.0 51.7 12.9 20.9 20.6 5 1 A P E - 0 0 4 0, 0.0 38,-2.3 0, 0.0 2,-0.4 -0.312 14.0-173.8 -68.6 137.1 13.8 17.4 19.2 6 2 A F E -Ab 67 43A 47 61,-2.4 61,-2.8 36,-0.2 2,-0.4 -0.981 3.2-165.9-124.5 133.1 16.3 17.3 16.2 7 3 A L E -Ab 66 44A 1 36,-2.4 38,-2.9 -2,-0.4 2,-0.5 -0.989 5.6-165.8-123.0 127.2 17.1 14.1 14.3 8 4 A Q E -Ab 65 45A 40 57,-2.3 57,-2.4 -2,-0.4 2,-0.6 -0.951 7.9-163.8-104.5 122.8 20.0 13.7 11.9 9 5 A T E -Ab 64 46A 0 36,-2.3 38,-2.9 -2,-0.5 2,-0.5 -0.924 3.5-170.5-108.7 121.7 19.8 10.6 9.8 10 6 A I E +Ab 63 47A 34 53,-3.1 53,-2.8 -2,-0.6 2,-0.3 -0.964 14.8 171.4-113.5 117.9 23.1 9.5 8.1 11 7 A V E -A 62 0A 0 36,-1.9 39,-3.0 -2,-0.5 51,-0.2 -0.949 37.9-145.2-131.9 144.0 22.6 6.7 5.5 12 8 A S S S+ 0 0 28 49,-1.6 50,-0.1 -2,-0.3 2,-0.1 0.676 82.7 78.3 -82.2 -15.2 24.9 5.1 2.9 13 9 A V S S- 0 0 31 48,-0.3 36,-2.8 36,-0.1 2,-0.3 -0.347 90.9-102.5 -82.0 168.0 21.9 4.6 0.5 14 10 A S - 0 0 75 34,-0.2 2,-0.3 35,-0.1 -1,-0.1 -0.709 34.9-159.2 -90.3 141.1 20.3 7.2 -1.7 15 11 A L - 0 0 6 -2,-0.3 2,-0.2 -4,-0.1 33,-0.1 -0.871 2.1-154.2-116.3 152.6 17.0 8.6 -0.4 16 12 A D > - 0 0 65 -2,-0.3 4,-2.4 1,-0.0 5,-0.2 -0.647 38.1 -90.2-112.9-178.4 14.4 10.4 -2.6 17 13 A D H > S+ 0 0 118 -2,-0.2 4,-2.5 2,-0.2 5,-0.1 0.835 122.9 51.8 -58.0 -38.1 11.8 12.9 -1.6 18 14 A Q H > S+ 0 0 147 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.932 111.7 47.5 -63.0 -45.7 9.0 10.3 -0.9 19 15 A K H > S+ 0 0 72 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.898 112.7 47.5 -68.8 -39.8 11.3 8.4 1.5 20 16 A R H X S+ 0 0 67 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.946 112.1 50.1 -65.9 -41.6 12.4 11.5 3.3 21 17 A A H X S+ 0 0 61 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.933 112.3 48.1 -59.9 -38.6 8.9 12.7 3.6 22 18 A N H X S+ 0 0 78 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.932 112.3 48.4 -67.8 -42.9 7.9 9.2 5.0 23 19 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.932 110.2 50.6 -59.6 -49.9 10.8 9.2 7.4 24 20 A S H X S+ 0 0 39 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.937 111.3 50.4 -53.9 -44.6 10.0 12.8 8.7 25 21 A A H X S+ 0 0 65 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.937 113.2 45.4 -56.6 -49.1 6.3 11.7 9.2 26 22 A A H X S+ 0 0 22 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.954 112.0 49.2 -64.0 -50.7 7.4 8.6 11.2 27 23 A Y H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.813 108.4 56.2 -50.2 -39.7 9.9 10.4 13.3 28 24 A G H X S+ 0 0 4 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.922 110.2 44.2 -65.1 -45.9 7.3 13.1 14.1 29 25 A M H X S+ 0 0 96 -4,-1.7 4,-3.1 2,-0.2 5,-0.4 0.925 112.8 50.7 -60.7 -52.6 4.9 10.5 15.4 30 26 A I H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 5,-0.4 0.894 113.6 46.2 -53.5 -44.4 7.6 8.7 17.4 31 27 A C H X>S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 5,-1.0 0.936 114.3 46.9 -65.3 -47.4 8.6 12.0 18.9 32 28 A R H X5S+ 0 0 74 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.941 120.5 37.0 -59.9 -48.6 5.1 13.1 19.7 33 29 A E H <5S+ 0 0 120 -4,-3.1 -2,-0.2 1,-0.1 -1,-0.2 0.878 130.3 26.4 -72.5 -39.6 4.0 9.8 21.3 34 30 A E H <5S+ 0 0 49 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.734 121.0 46.1 -98.5 -22.6 7.2 8.8 23.1 35 31 A L H <5S- 0 0 2 -4,-2.2 -33,-0.4 -5,-0.4 -3,-0.2 0.799 111.3 -96.0-100.6 -26.8 9.1 12.0 23.9 36 32 A G S < - 0 0 117 -35,-0.3 3,-1.6 -2,-0.2 -2,-0.1 -0.495 45.9-152.3 -94.0 131.6 4.1 16.7 23.7 38 34 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.966 100.3 46.2 -52.9 -63.8 1.4 16.3 21.0 39 35 A E T 3 S+ 0 0 140 -7,-0.1 -2,-0.1 2,-0.0 -7,-0.0 0.480 90.4 135.0 -64.1 4.3 1.7 19.8 19.4 40 36 A D < - 0 0 22 -3,-1.6 2,-0.4 -8,-0.1 -8,-0.1 -0.001 49.1-137.0 -51.9 152.5 5.5 19.4 19.4 41 37 A F - 0 0 139 -10,-0.1 2,-0.4 -9,-0.0 -1,-0.1 -0.915 16.4-162.0-116.4 148.7 7.6 20.3 16.5 42 38 A V - 0 0 31 -2,-0.4 2,-0.5 -38,-0.1 -36,-0.2 -0.985 10.2-147.3-135.1 130.2 10.5 18.2 15.2 43 39 A M E -b 6 0A 126 -38,-2.3 -36,-2.4 -2,-0.4 2,-0.5 -0.858 17.3-170.9-103.1 136.8 13.4 19.0 12.9 44 40 A T E -b 7 0A 33 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.973 4.8-172.8-136.7 112.8 14.6 16.3 10.7 45 41 A A E -b 8 0A 34 -38,-2.9 -36,-2.3 -2,-0.5 2,-0.5 -0.897 8.4-156.4-107.8 140.4 17.9 16.4 8.6 46 42 A F E -b 9 0A 40 -2,-0.3 2,-0.8 -38,-0.2 -36,-0.2 -0.959 11.6-177.4-123.8 109.6 18.8 13.7 6.0 47 43 A S E +b 10 0A 40 -38,-2.9 -36,-1.9 -2,-0.5 3,-0.3 -0.825 22.5 176.3-101.8 97.1 22.4 13.1 4.9 48 44 A D + 0 0 31 -2,-0.8 -34,-0.2 -38,-0.2 -36,-0.1 -0.190 54.5 37.3 -93.6 177.5 22.1 10.3 2.3 49 45 A K S S+ 0 0 127 -36,-2.8 -37,-0.3 1,-0.2 -1,-0.2 0.793 77.3 144.0 53.8 31.0 24.8 8.7 0.1 50 46 A T - 0 0 51 -39,-3.0 -1,-0.2 -3,-0.3 -37,-0.1 -0.889 53.1-124.1-104.0 113.9 27.3 8.9 3.1 51 47 A P - 0 0 116 0, 0.0 2,-0.4 0, 0.0 -38,-0.0 -0.326 31.7-173.4 -59.3 139.8 29.5 5.9 3.0 52 48 A I - 0 0 34 6,-0.2 2,-0.4 7,-0.1 -40,-0.1 -0.995 10.7-155.9-133.3 133.1 29.4 4.0 6.3 53 49 A S + 0 0 86 -2,-0.4 2,-0.3 5,-0.1 5,-0.2 -0.865 21.1 161.0-107.4 143.7 31.6 1.1 7.3 54 50 A F B > -D 57 0B 47 3,-2.6 3,-1.5 -2,-0.4 5,-0.2 -0.933 64.5 -3.1-163.1 134.0 30.5 -1.5 9.9 55 51 A Q T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.869 127.8 -58.2 49.9 40.0 31.6 -5.0 10.8 56 52 A G T 3 S+ 0 0 84 1,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.659 118.2 103.7 70.7 14.3 34.0 -5.0 7.9 57 53 A S B < -D 54 0B 44 -3,-1.5 -3,-2.6 2,-0.1 -1,-0.2 -0.983 56.4-160.3-129.9 142.5 31.2 -4.3 5.4 58 54 A T + 0 0 103 -2,-0.4 -6,-0.2 -5,-0.2 3,-0.2 0.112 50.6 132.3 -99.6 22.4 30.1 -1.2 3.5 59 55 A A S S- 0 0 45 -5,-0.2 -2,-0.1 1,-0.2 -7,-0.1 -0.329 78.9 -58.3 -61.0 161.5 26.6 -2.7 2.8 60 56 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.034 72.8 160.8 -49.1 128.8 23.8 -0.2 3.6 61 57 A A - 0 0 2 -3,-0.2 -49,-1.6 33,-0.1 2,-0.3 -0.943 22.0-146.1-143.2 167.8 23.9 0.9 7.2 62 58 A A E -Ac 11 99A 5 36,-2.6 38,-2.3 -2,-0.3 2,-0.4 -0.985 9.1-165.8-138.5 153.2 22.5 3.9 9.1 63 59 A Y E -Ac 10 100A 58 -53,-2.8 -53,-3.1 -2,-0.3 2,-0.4 -0.998 10.5-167.9-135.8 131.7 23.3 6.2 12.0 64 60 A V E -Ac 9 101A 0 36,-2.6 38,-2.7 -2,-0.4 2,-0.6 -0.990 5.8-161.0-121.8 129.8 20.7 8.5 13.7 65 61 A R E -Ac 8 102A 58 -57,-2.4 -57,-2.3 -2,-0.4 2,-0.5 -0.943 8.9-164.3-108.7 121.6 21.6 11.2 16.2 66 62 A V E +Ac 7 103A 0 36,-3.0 38,-3.3 -2,-0.6 2,-0.3 -0.925 12.1 177.9-108.7 130.2 18.7 12.4 18.3 67 63 A E E +Ac 6 104A 60 -61,-2.8 -61,-2.4 -2,-0.5 2,-0.3 -0.900 6.6 155.1-130.0 152.0 19.1 15.7 20.1 68 64 A S E - c 0 105A 4 36,-0.8 38,-1.5 -2,-0.3 -64,-0.2 -0.979 43.6 -86.1-167.8 160.2 16.8 17.7 22.3 69 65 A W E S+Ac 3 106A 52 -66,-2.9 -66,-1.8 -2,-0.3 2,-0.4 -0.545 92.5 4.2 -70.9 139.1 16.7 20.3 25.2 70 66 A G E S-A 2 0A 16 36,-2.9 2,-0.3 -2,-0.2 -68,-0.2 -0.722 102.1 -56.9 100.9-134.9 16.9 19.1 28.7 71 67 A E - 0 0 157 -70,-0.5 2,-0.2 -2,-0.4 -2,-0.1 -0.976 50.7-102.2-150.5 154.2 17.5 15.4 29.6 72 68 A Y - 0 0 40 -2,-0.3 -37,-0.0 -4,-0.1 -2,-0.0 -0.507 23.9-121.9 -76.6 134.5 15.6 12.2 28.7 73 69 A A > - 0 0 40 -2,-0.2 3,-1.8 -38,-0.2 -1,-0.1 -0.641 39.6-120.6 -62.8 135.1 13.3 10.3 31.0 74 70 A P T 3> S+ 0 0 126 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.663 107.2 56.5 -70.2 -15.4 15.3 7.0 30.9 75 71 A S H 3> S+ 0 0 74 2,-0.1 4,-1.1 1,-0.1 -3,-0.0 0.745 94.6 68.9 -77.0 -26.5 12.4 5.0 29.5 76 72 A K H X> S+ 0 0 57 -3,-1.8 4,-1.9 1,-0.2 3,-0.6 0.917 95.2 47.9 -71.2 -46.0 11.8 7.2 26.4 77 73 A P H 3> S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.923 109.4 57.6 -56.7 -38.8 14.9 6.5 24.3 78 74 A K H 3< S+ 0 0 151 -4,-0.5 -2,-0.2 1,-0.3 -3,-0.1 0.794 110.6 43.4 -58.1 -36.7 14.3 2.7 25.0 79 75 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 3,-0.5 0.888 95.6 66.2 -80.4 -42.4 12.1 5.3 20.5 81 77 A T H 3X S+ 0 0 51 -4,-2.3 4,-3.1 1,-0.3 5,-0.3 0.910 99.2 48.9 -52.5 -49.7 14.9 3.2 19.1 82 78 A P H 3> S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.872 114.8 47.2 -64.5 -30.4 12.9 0.2 17.9 83 79 A R H - 0 0 47 0, 0.0 3,-2.2 0, 0.0 -1,-0.0 -0.315 19.9-114.9 -72.0 150.1 18.4 -4.3 8.5 96 92 A A G > S+ 0 0 58 1,-0.3 3,-1.8 2,-0.2 -34,-0.1 0.793 111.3 70.1 -56.8 -30.1 18.2 -3.3 12.2 97 93 A E G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.0 -36,-0.0 0.608 101.7 46.2 -67.9 -6.1 21.6 -5.0 12.8 98 94 A R G < S+ 0 0 26 -3,-2.2 -36,-2.6 2,-0.0 2,-0.5 -0.039 92.9 98.2-119.5 32.9 23.3 -2.2 10.8 99 95 A I E < -c 62 0A 18 -3,-1.8 2,-0.4 -38,-0.2 -36,-0.2 -0.978 50.1-170.3-121.7 122.5 21.4 0.7 12.4 100 96 A Y E -c 63 0A 120 -38,-2.3 -36,-2.6 -2,-0.5 2,-0.4 -0.925 1.4-171.9-107.2 134.3 22.9 2.8 15.3 101 97 A V E -c 64 0A 28 -2,-0.4 2,-0.4 -38,-0.2 -36,-0.2 -0.996 4.1-176.9-124.8 124.5 20.8 5.4 17.2 102 98 A F E -c 65 0A 81 -38,-2.7 -36,-3.0 -2,-0.4 2,-0.5 -0.974 10.9-152.2-119.5 140.8 22.4 7.8 19.7 103 99 A Y E +c 66 0A 43 -2,-0.4 2,-0.3 -38,-0.2 -36,-0.2 -0.925 17.8 170.7-116.6 130.3 20.6 10.3 22.0 104 100 A Y E -c 67 0A 116 -38,-3.3 -36,-0.8 -2,-0.5 2,-0.3 -0.903 7.0-172.6-127.1 161.4 22.1 13.5 23.2 105 101 A S E -c 68 0A 50 -2,-0.3 2,-0.3 -38,-0.2 -36,-0.2 -0.968 2.6-167.6-149.0 166.2 20.7 16.5 25.0 106 102 A T E -c 69 0A 55 -38,-1.5 -36,-2.9 -2,-0.3 3,-0.1 -0.975 29.3-137.7-146.7 161.2 21.8 20.0 26.1 107 103 A K S S+ 0 0 142 -2,-0.3 2,-0.6 -38,-0.2 -38,-0.1 0.543 95.7 67.6 -92.7 -11.2 20.6 22.8 28.4 108 104 A H + 0 0 147 -38,-0.1 2,-0.3 8,-0.1 -1,-0.1 -0.917 61.1 124.4-116.9 110.4 21.7 25.2 25.7 109 105 A C - 0 0 29 -2,-0.6 7,-2.9 -3,-0.1 2,-0.3 -0.956 35.0-153.7-164.4 150.9 19.8 25.3 22.4 110 106 A G E +E 115 0C 44 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.949 12.2 178.3-143.7 149.7 18.1 28.1 20.5 111 107 A W E > S+E 114 0C 182 3,-2.7 3,-1.6 -2,-0.3 -2,-0.0 -0.986 73.8 18.6-157.6 144.0 15.3 28.7 18.0 112 108 A N T 3 S- 0 0 147 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.827 133.6 -62.7 53.4 32.7 13.8 31.6 16.4 113 109 A G T 3 S+ 0 0 82 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.609 119.9 91.6 76.8 21.6 17.0 33.3 17.5 114 110 A T E < S-E 111 0C 99 -3,-1.6 -3,-2.7 0, 0.0 -1,-0.1 -0.993 76.6-112.5-151.2 130.9 16.5 32.9 21.2 115 111 A N E E 110 0C 98 -2,-0.3 -5,-0.3 -5,-0.3 -7,-0.1 -0.408 360.0 360.0 -72.9 150.9 17.6 30.0 23.5 116 112 A F 0 0 121 -7,-2.9 -6,-0.1 -2,-0.1 -1,-0.1 0.716 360.0 360.0 -68.7 360.0 15.0 27.7 25.2