==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CYTOKINE, ISOMERASE 26-AUG-12 4GRP . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.FAN,E.LOLIS . 352 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 18.8 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 . 22 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 3 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 0 3 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 3 3 3 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 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 0 105 0, 0.0 68,-0.1 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 168.5 -5.2 17.6 9.9 2 2 A A - 0 0 31 1,-0.1 66,-0.2 34,-0.0 116,-0.0 -0.197 360.0-108.4 -60.3 161.7 -2.2 18.7 7.9 3 3 A A S S+ 0 0 23 64,-0.1 37,-0.2 114,-0.1 -1,-0.1 0.561 74.1 110.3 -80.3 -15.7 -2.8 22.0 6.1 4 4 A A + 0 0 0 37,-0.1 64,-2.3 106,-0.1 2,-0.3 -0.312 27.2 152.8 -72.8 143.2 -3.1 21.3 2.4 5 5 A A E -aB 41 67A 1 35,-1.7 37,-2.2 62,-0.2 2,-0.3 -0.961 16.6-166.8-154.5 157.2 -6.1 21.4 0.2 6 6 A M E -aB 42 66A 5 60,-2.6 60,-2.7 -2,-0.3 2,-0.4 -0.998 4.4-160.4-148.3 139.5 -6.6 22.0 -3.5 7 7 A F E -aB 43 65A 0 35,-2.3 37,-2.1 -2,-0.3 2,-0.4 -0.984 6.7-173.3-126.6 131.2 -9.5 22.9 -5.7 8 8 A I E -aB 44 64A 24 56,-2.0 56,-2.1 -2,-0.4 2,-0.5 -0.975 2.6-170.5-123.9 131.6 -9.8 22.4 -9.5 9 9 A V E -aB 45 63A 0 35,-2.5 37,-2.9 -2,-0.4 2,-0.5 -0.975 0.9-170.6-125.3 120.3 -12.6 23.5 -11.7 10 10 A N E +aB 46 62A 34 52,-2.8 52,-2.5 -2,-0.5 2,-0.3 -0.918 22.0 163.3-103.5 129.4 -12.8 22.4 -15.4 11 11 A T E - B 0 61A 0 35,-2.7 38,-2.7 -2,-0.5 50,-0.2 -0.986 50.6-134.0-149.3 154.7 -15.5 24.2 -17.4 12 12 A N S S+ 0 0 30 48,-1.0 49,-0.1 -2,-0.3 3,-0.1 0.461 72.1 118.1 -83.9 -2.8 -16.7 25.0 -20.9 13 13 A V S S- 0 0 6 47,-0.4 35,-2.5 33,-0.1 36,-0.2 -0.370 75.7-103.8 -62.4 133.9 -17.1 28.6 -19.8 14 14 A P > - 0 0 73 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.292 20.5-117.4 -65.7 151.6 -14.8 30.9 -22.0 15 15 A R G > S+ 0 0 118 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.874 112.4 64.2 -47.6 -41.9 -11.6 32.3 -20.5 16 16 A A G 3 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.763 96.3 58.1 -60.0 -25.2 -12.9 35.8 -21.0 17 17 A S G < S+ 0 0 45 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.511 76.5 103.7 -88.3 -5.0 -15.7 35.2 -18.5 18 18 A V S < S- 0 0 10 -3,-1.8 73,-0.1 -4,-0.4 3,-0.1 -0.695 75.3-127.2 -75.5 115.0 -13.5 34.3 -15.5 19 19 A P > - 0 0 44 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.258 17.9-106.6 -64.1 149.0 -13.6 37.4 -13.3 20 20 A D T 3 S+ 0 0 165 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.546 113.4 34.1 -63.8 134.5 -10.5 39.1 -12.1 21 21 A G T 3> S+ 0 0 47 -2,-0.2 4,-2.6 -3,-0.1 -1,-0.3 0.266 83.1 113.0 101.6 -13.8 -10.4 38.0 -8.5 22 22 A F H <> S+ 0 0 2 -3,-2.0 4,-2.8 2,-0.2 5,-0.2 0.929 78.5 45.5 -63.9 -46.6 -11.9 34.6 -8.9 23 23 A L H > S+ 0 0 27 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.934 115.5 48.6 -59.2 -45.1 -8.8 32.6 -8.0 24 24 A S H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.889 111.1 49.6 -63.8 -39.6 -8.2 34.9 -5.0 25 25 A E H X S+ 0 0 44 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.917 110.0 50.7 -66.6 -44.4 -11.8 34.5 -3.9 26 26 A L H X S+ 0 0 2 -4,-2.8 4,-2.7 -5,-0.2 5,-0.3 0.932 111.2 49.9 -55.5 -43.8 -11.7 30.7 -4.2 27 27 A T H X S+ 0 0 6 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.949 115.1 41.4 -62.9 -48.5 -8.5 30.7 -2.1 28 28 A Q H X S+ 0 0 94 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.914 116.8 48.0 -67.7 -44.3 -10.0 32.9 0.7 29 29 A Q H X S+ 0 0 43 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.892 113.8 46.9 -65.0 -39.7 -13.4 31.2 0.7 30 30 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 -5,-0.3 6,-0.4 0.878 109.9 53.0 -70.2 -38.5 -11.9 27.7 0.8 31 31 A A H X>S+ 0 0 11 -4,-2.2 4,-1.6 -5,-0.3 5,-0.7 0.944 113.4 44.9 -58.4 -47.4 -9.4 28.6 3.6 32 32 A Q H <5S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.933 114.6 47.3 -63.4 -43.0 -12.4 29.9 5.6 33 33 A A H <5S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 120.4 36.4 -70.0 -34.5 -14.6 26.9 4.9 34 34 A T H <5S- 0 0 4 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.578 101.2-125.8 -94.1 -13.1 -11.9 24.3 5.6 35 35 A G T <5 + 0 0 60 -4,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.575 67.4 134.7 72.5 12.3 -10.2 26.1 8.6 36 36 A K < - 0 0 9 -5,-0.7 -1,-0.3 -6,-0.4 -2,-0.2 -0.621 65.0-100.3 -92.0 149.1 -6.9 25.7 6.7 37 37 A P > - 0 0 52 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.447 25.6-127.9 -67.0 142.2 -4.4 28.6 6.2 38 38 A P G > S+ 0 0 60 0, 0.0 3,-1.8 0, 0.0 134,-0.3 0.794 104.4 73.5 -62.2 -25.3 -4.6 30.2 2.8 39 39 A Q G 3 S+ 0 0 123 1,-0.3 135,-0.1 133,-0.1 -35,-0.1 0.703 102.4 41.8 -56.0 -24.8 -0.8 29.7 2.4 40 40 A Y G < S+ 0 0 70 -3,-2.0 -35,-1.7 -37,-0.2 2,-0.5 0.279 91.4 101.3-111.5 9.8 -1.6 26.0 1.8 41 41 A I E < -a 5 0A 0 -3,-1.8 131,-2.5 -4,-0.2 132,-0.5 -0.830 50.7-169.2 -94.5 129.0 -4.6 26.3 -0.4 42 42 A A E -aC 6 171A 1 -37,-2.2 -35,-2.3 -2,-0.5 2,-0.3 -0.927 1.6-169.6-114.9 143.9 -4.0 25.8 -4.1 43 43 A V E -aC 7 170A 0 127,-2.6 127,-2.5 -2,-0.4 2,-0.4 -0.975 6.0-174.3-134.3 149.1 -6.6 26.6 -6.8 44 44 A H E -aC 8 169A 6 -37,-2.1 -35,-2.5 -2,-0.3 2,-0.4 -0.982 2.9-169.2-148.1 123.7 -6.7 25.8 -10.5 45 45 A V E -aC 9 168A 1 123,-2.5 123,-0.8 -2,-0.4 -35,-0.2 -0.978 0.1-171.4-123.8 128.6 -9.3 26.9 -13.1 46 46 A V E +a 10 0A 14 -37,-2.9 -35,-2.7 -2,-0.4 3,-0.3 -0.903 13.3 177.9-124.7 95.9 -9.4 25.5 -16.6 47 47 A P + 0 0 17 0, 0.0 -35,-0.2 0, 0.0 -34,-0.1 -0.247 54.7 47.4 -88.7 179.3 -11.9 27.3 -19.0 48 48 A D S S+ 0 0 96 -35,-2.5 -36,-0.3 1,-0.2 2,-0.1 0.679 76.6 161.2 65.5 25.2 -12.6 26.7 -22.6 49 49 A Q - 0 0 38 -38,-2.7 2,-1.0 -3,-0.3 -1,-0.2 -0.406 48.0-121.8 -83.6 152.2 -13.1 22.9 -22.2 50 50 A L E +H 281 0B 74 231,-0.7 231,-2.6 -2,-0.1 2,-0.3 -0.794 61.6 139.3 -87.8 100.5 -14.8 20.5 -24.5 51 51 A M E -H 280 0B 2 -2,-1.0 2,-0.3 229,-0.2 229,-0.2 -0.979 35.5-164.8-144.8 156.6 -17.4 19.2 -22.1 52 52 A A E -H 279 0B 3 227,-2.5 227,-2.5 -2,-0.3 2,-0.4 -0.980 5.8-159.7-142.7 151.1 -21.0 18.2 -21.9 53 53 A F E > S-HI 278 56B 6 3,-2.3 3,-1.7 -2,-0.3 225,-0.2 -0.995 85.8 -6.9-131.8 122.9 -23.4 17.5 -19.0 54 54 A G T 3 S- 0 0 24 223,-2.5 224,-0.1 -2,-0.4 221,-0.1 0.793 129.3 -60.9 60.5 28.3 -26.5 15.4 -19.7 55 55 A G T 3 S+ 0 0 37 222,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.469 114.5 113.5 80.6 3.1 -25.6 15.6 -23.4 56 56 A S B < -I 53 0B 41 -3,-1.7 -3,-2.3 219,-0.1 -1,-0.3 -0.855 59.3-150.8-111.3 145.1 -25.8 19.4 -23.5 57 57 A S + 0 0 80 -2,-0.4 3,-0.1 -5,-0.2 -6,-0.1 0.226 55.6 126.0 -99.1 14.7 -23.0 21.8 -24.1 58 58 A E S S- 0 0 126 -5,-0.2 -46,-0.1 1,-0.2 -5,-0.1 -0.231 83.3 -58.7 -58.8 161.5 -24.6 24.6 -22.0 59 59 A P S S+ 0 0 51 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.154 77.1 151.6 -50.8 135.0 -22.3 25.9 -19.3 60 60 A C - 0 0 1 -3,-0.1 -48,-1.0 33,-0.1 -47,-0.4 -0.944 27.0-148.2-152.6 172.3 -21.2 23.1 -16.9 61 61 A A E -Bd 11 98A 0 36,-2.2 38,-2.0 -2,-0.3 2,-0.5 -0.995 10.1-158.8-151.2 146.0 -18.3 22.2 -14.6 62 62 A L E +Bd 10 99A 8 -52,-2.5 -52,-2.8 -2,-0.3 2,-0.3 -0.998 31.8 172.9-120.4 124.4 -16.4 19.2 -13.3 63 63 A C E -Bd 9 100A 6 36,-2.7 38,-2.8 -2,-0.5 2,-0.3 -0.838 20.5-157.9-129.1 164.3 -14.5 20.0 -10.1 64 64 A S E -Bd 8 101A 19 -56,-2.1 -56,-2.0 -2,-0.3 2,-0.6 -0.957 4.8-161.8-150.8 133.3 -12.5 18.3 -7.4 65 65 A L E -Bd 7 102A 0 36,-2.5 38,-2.7 -2,-0.3 2,-0.5 -0.953 10.5-173.0-111.3 114.8 -11.5 19.2 -3.9 66 66 A H E +Bd 6 103A 19 -60,-2.7 -60,-2.6 -2,-0.6 2,-0.4 -0.951 17.0 166.9-106.7 123.8 -8.6 17.2 -2.5 67 67 A S E -Bd 5 104A 0 36,-2.7 38,-2.7 -2,-0.5 2,-1.1 -0.998 44.4-122.9-140.7 140.2 -8.0 17.9 1.2 68 68 A I S S- 0 0 9 -64,-2.3 38,-0.1 -2,-0.4 36,-0.1 -0.744 89.1 -37.5 -79.2 104.4 -6.0 16.4 4.0 69 69 A G S S+ 0 0 11 -2,-1.1 36,-0.2 36,-0.4 3,-0.1 -0.159 100.4 99.7 68.0-170.3 -9.0 15.9 6.3 70 70 A K + 0 0 65 1,-0.2 2,-0.4 34,-0.1 -1,-0.1 0.772 63.0 121.3 60.6 28.7 -12.0 18.2 6.7 71 71 A I + 0 0 20 -4,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.970 29.8 109.2-120.2 134.2 -14.0 15.9 4.3 72 72 A G S > S- 0 0 20 -2,-0.4 4,-3.1 272,-0.2 5,-0.3 -0.977 74.3 -67.7 176.0 179.5 -17.2 14.2 5.3 73 73 A G H > S+ 0 0 29 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.936 127.0 31.9 -54.1 -56.3 -20.9 14.1 4.9 74 74 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 120.6 51.2 -71.4 -41.6 -21.9 17.4 6.4 75 75 A Q H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.928 109.4 50.8 -62.7 -42.0 -18.7 19.3 5.4 76 76 A N H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.851 107.4 52.9 -66.9 -35.7 -19.1 18.2 1.8 77 77 A R H X S+ 0 0 104 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.922 111.4 47.2 -60.7 -43.4 -22.7 19.4 1.7 78 78 A S H X S+ 0 0 68 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.900 111.5 49.8 -67.8 -38.7 -21.5 22.8 3.0 79 79 A Y H X S+ 0 0 2 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.863 108.8 54.1 -63.7 -36.9 -18.7 22.9 0.5 80 80 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 270,-0.4 0.901 109.2 46.2 -68.2 -39.7 -21.1 22.1 -2.3 81 81 A K H X S+ 0 0 148 -4,-2.0 4,-2.0 269,-0.3 -1,-0.2 0.938 116.5 46.6 -65.9 -43.2 -23.4 24.9 -1.5 82 82 A L H X S+ 0 0 43 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.953 117.9 40.1 -59.1 -51.6 -20.5 27.3 -1.2 83 83 A L H X S+ 0 0 1 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.907 114.4 50.3 -74.9 -39.8 -18.8 26.2 -4.4 84 84 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.906 110.4 53.9 -59.7 -37.5 -21.9 25.9 -6.5 85 85 A G H X S+ 0 0 32 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.924 109.9 45.6 -62.1 -42.8 -22.8 29.4 -5.2 86 86 A L H X>S+ 0 0 7 -4,-2.1 4,-2.8 1,-0.2 5,-0.6 0.904 113.2 49.3 -68.4 -40.3 -19.5 30.8 -6.4 87 87 A L H X5S+ 0 0 2 -4,-2.7 6,-1.8 3,-0.2 4,-1.3 0.880 113.3 46.9 -68.8 -33.9 -19.7 29.0 -9.8 88 88 A A H X5S+ 0 0 30 -4,-2.3 4,-0.9 4,-0.3 -2,-0.2 0.953 119.2 39.2 -68.6 -49.3 -23.2 30.3 -10.4 89 89 A E H <5S+ 0 0 97 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.928 128.8 28.8 -67.9 -45.6 -22.5 33.9 -9.3 90 90 A R H <5S+ 0 0 88 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.843 134.8 24.8 -91.7 -37.2 -19.0 34.2 -10.9 91 91 A L H < - 0 0 49 -2,-0.5 3,-2.3 -35,-0.4 255,-0.1 -0.442 18.1-129.0 -62.8 134.0 -26.2 26.4 -13.0 95 95 A P G > S+ 0 0 23 0, 0.0 254,-2.3 0, 0.0 3,-1.3 0.783 107.3 63.4 -56.9 -26.9 -25.6 24.4 -9.9 96 96 A D G 3 S+ 0 0 70 1,-0.3 -2,-0.1 252,-0.2 -36,-0.0 0.393 100.1 54.9 -81.5 7.4 -27.4 21.4 -11.4 97 97 A R G < S+ 0 0 36 -3,-2.3 -36,-2.2 2,-0.0 2,-0.4 0.005 94.1 88.8-122.0 28.5 -24.7 21.3 -14.1 98 98 A V E < -d 61 0A 0 -3,-1.3 251,-0.6 -38,-0.2 2,-0.4 -0.985 50.7-170.9-127.2 130.4 -21.8 21.0 -11.7 99 99 A Y E -dE 62 348A 0 -38,-2.0 -36,-2.7 -2,-0.4 2,-0.5 -0.973 4.0-169.2-110.8 141.1 -20.2 17.9 -10.2 100 100 A I E -dE 63 347A 0 247,-2.0 247,-3.3 -2,-0.4 2,-0.5 -0.979 8.5-154.7-125.6 116.3 -17.6 18.3 -7.4 101 101 A N E -dE 64 346A 8 -38,-2.8 -36,-2.5 -2,-0.5 2,-0.4 -0.812 11.2-151.3 -91.4 129.8 -15.6 15.2 -6.4 102 102 A Y E -d 65 0A 2 243,-2.8 2,-0.4 -2,-0.5 -36,-0.2 -0.872 12.2-173.2-104.9 133.3 -14.3 15.2 -2.8 103 103 A Y E -d 66 0A 35 -38,-2.7 -36,-2.7 -2,-0.4 2,-0.8 -0.979 16.2-152.5-129.4 120.6 -11.1 13.4 -1.8 104 104 A D E -d 67 0A 98 -2,-0.4 2,-0.4 -38,-0.2 -36,-0.2 -0.813 25.3-156.5 -89.0 108.9 -9.8 13.0 1.7 105 105 A M - 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