==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 11-NOV-99 1QOK . COMPND 2 MOLECULE: MFE-23 RECOMBINANT ANTIBODY FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.K.BOEHM,A.L.CORPER,T.WAN,M.K.SOHI,B.J.SUTTON,J.D.THORNTON, . 226 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 38.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 2 4 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 2 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 27 A Q 0 0 203 0, 0.0 2,-0.4 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 137.9 -10.3 22.6 7.3 2 28 A V + 0 0 38 24,-0.1 2,-0.4 22,-0.0 24,-0.2 -0.733 360.0 175.2 -90.1 137.1 -8.7 26.1 7.3 3 29 A K E -A 25 0A 133 22,-1.7 22,-2.3 -2,-0.4 2,-0.6 -0.996 21.9-158.4-143.9 137.0 -6.7 27.3 4.4 4 30 A L E -A 24 0A 8 106,-0.5 108,-0.7 -2,-0.4 2,-0.6 -0.958 19.4-162.7-115.3 112.4 -5.2 30.6 3.6 5 31 A Q E -A 23 0A 143 18,-3.0 18,-2.6 -2,-0.6 2,-0.2 -0.839 3.0-161.3-105.0 120.8 -4.7 30.8 -0.2 6 32 A Q E -A 22 0A 12 -2,-0.6 16,-0.2 16,-0.2 2,-0.1 -0.524 24.6-100.8 -96.4 162.4 -2.3 33.3 -1.6 7 33 A S - 0 0 30 14,-1.5 -1,-0.1 -2,-0.2 3,-0.1 -0.360 50.2 -87.1 -75.6 163.3 -2.0 34.7 -5.1 8 34 A G - 0 0 53 1,-0.1 -1,-0.1 106,-0.1 106,-0.1 -0.045 55.8 -62.4 -71.1 172.5 0.6 33.4 -7.5 9 35 A A - 0 0 80 104,-0.1 2,-0.4 1,-0.1 107,-0.2 -0.017 47.8-148.5 -49.1 151.7 4.2 34.4 -8.1 10 36 A E E -e 116 0B 64 105,-2.5 107,-2.9 -3,-0.1 2,-0.6 -0.992 9.4-163.2-130.5 133.1 4.9 37.9 -9.4 11 37 A L E +e 117 0B 128 -2,-0.4 2,-0.3 105,-0.2 107,-0.2 -0.977 29.2 163.9-114.7 116.1 7.7 39.0 -11.6 12 38 A V E -e 118 0B 20 105,-2.7 107,-3.8 -2,-0.6 2,-0.3 -0.906 36.3-113.7-135.1 161.7 8.1 42.7 -11.5 13 39 A R E > -e 119 0B 194 -2,-0.3 3,-1.9 105,-0.2 107,-0.2 -0.741 45.7 -91.7 -96.9 143.2 10.6 45.4 -12.3 14 40 A S T 3 S+ 0 0 46 105,-3.5 73,-0.2 -2,-0.3 -1,-0.1 -0.102 110.9 38.5 -46.6 141.9 12.3 47.5 -9.7 15 41 A G T 3 S+ 0 0 52 71,-3.0 70,-0.4 1,-0.3 -1,-0.2 0.156 95.0 103.9 99.3 -21.1 10.4 50.6 -8.9 16 42 A T < - 0 0 65 -3,-1.9 70,-2.9 69,-0.2 -1,-0.3 -0.312 62.0-125.5 -91.1-179.7 6.9 49.2 -9.1 17 43 A S - 0 0 60 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.853 19.1-165.1-121.6 150.0 4.2 48.2 -6.6 18 44 A V E - B 0 83A 12 65,-1.8 65,-1.8 -2,-0.3 2,-0.4 -0.909 10.9-148.1-131.7 163.7 2.4 44.9 -6.3 19 45 A K E - B 0 82A 109 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.996 16.4-170.1-135.4 118.8 -0.7 43.8 -4.5 20 46 A L E - B 0 81A 1 61,-2.9 61,-2.5 -2,-0.4 2,-0.3 -0.755 7.4-151.9-104.9 159.6 -0.9 40.3 -3.1 21 47 A S E - B 0 80A 30 -2,-0.3 -14,-1.5 59,-0.2 2,-0.3 -0.888 11.4-166.2-130.7 164.6 -3.9 38.7 -1.7 22 48 A a E -AB 6 79A 0 57,-1.7 57,-2.8 -2,-0.3 2,-0.5 -0.929 9.9-165.8-151.9 115.9 -4.7 36.0 0.8 23 49 A T E -AB 5 78A 50 -18,-2.6 -18,-3.0 -2,-0.3 2,-0.3 -0.947 10.3-144.2-114.1 130.5 -8.1 34.5 1.1 24 50 A A E -A 4 0A 7 53,-2.1 2,-0.4 -2,-0.5 -20,-0.2 -0.649 10.5-165.7 -93.0 151.8 -9.1 32.4 4.0 25 51 A S E S+A 3 0A 69 -22,-2.3 -22,-1.7 -2,-0.3 3,-0.1 -0.997 73.6 10.4-136.0 133.3 -11.4 29.4 3.9 26 52 A G S S+ 0 0 65 -2,-0.4 2,-0.3 -24,-0.2 -24,-0.1 0.625 118.8 72.7 74.8 14.0 -13.1 27.7 6.9 27 53 A F S S- 0 0 32 -24,-0.2 2,-0.8 -26,-0.1 -1,-0.1 -0.974 79.4-127.9-157.0 139.6 -12.1 30.7 9.1 28 54 A N > - 0 0 66 -2,-0.3 3,-2.5 1,-0.2 4,-0.1 -0.847 12.1-151.9 -96.8 114.9 -13.3 34.2 9.2 29 55 A I G > S+ 0 0 0 -2,-0.8 3,-1.4 1,-0.3 25,-0.2 0.770 93.3 70.1 -54.8 -24.8 -10.4 36.6 9.0 30 56 A K G 3 S+ 0 0 91 1,-0.3 -1,-0.3 23,-0.2 24,-0.2 0.735 84.0 72.4 -64.6 -23.3 -12.4 39.1 11.0 31 57 A D G < S- 0 0 104 -3,-2.5 -1,-0.3 22,-0.1 2,-0.2 0.408 112.8 -2.7 -75.5 -0.6 -12.0 36.8 14.1 32 58 A S S < S- 0 0 5 -3,-1.4 2,-0.4 -4,-0.1 22,-0.3 -0.700 92.3 -64.1-159.1-150.2 -8.4 37.7 14.6 33 59 A Y - 0 0 78 66,-0.4 2,-0.7 -2,-0.2 66,-0.5 -0.983 36.6-136.1-122.2 133.2 -5.5 39.7 13.1 34 60 A M E -F 51 0B 0 17,-2.2 17,-1.5 -2,-0.4 2,-0.3 -0.769 22.9-160.2 -89.5 117.6 -4.0 39.0 9.7 35 61 A H E -FG 50 97B 12 62,-3.7 62,-2.8 -2,-0.7 2,-0.4 -0.741 4.7-155.5 -96.4 149.5 -0.2 39.1 9.8 36 62 A W E +FG 49 96B 0 13,-2.3 12,-2.8 -2,-0.3 13,-1.2 -0.990 20.0 169.8-125.3 126.4 2.0 39.5 6.8 37 63 A L E -FG 47 95B 0 58,-2.7 58,-3.3 -2,-0.4 2,-0.3 -0.883 19.0-146.3-130.4 171.8 5.6 38.3 6.9 38 64 A R E -FG 46 94B 9 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.995 3.0-152.5-144.1 138.2 8.4 37.8 4.4 39 65 A Q E -FG 45 93B 7 54,-3.1 54,-1.6 -2,-0.3 6,-0.2 -0.927 20.7-153.4-116.6 107.2 11.2 35.2 4.0 40 66 A G > - 0 0 5 4,-1.7 3,-1.9 -2,-0.6 52,-0.1 -0.079 33.9 -94.4 -69.1 176.8 14.3 36.5 2.3 41 67 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 51,-0.1 0.865 127.4 61.0 -61.1 -37.1 16.9 34.5 0.3 42 68 A E T 3 S- 0 0 143 1,-0.1 -2,-0.1 2,-0.1 -3,-0.0 0.586 117.3-122.0 -68.0 -5.3 19.0 34.2 3.4 43 69 A Q < + 0 0 100 -3,-1.9 2,-0.4 1,-0.3 -1,-0.1 0.633 63.9 141.7 72.8 21.3 15.9 32.4 4.7 44 70 A G - 0 0 20 177,-0.0 -4,-1.7 174,-0.0 2,-0.4 -0.745 48.8-127.4 -93.6 140.6 15.3 34.8 7.6 45 71 A L E -F 39 0B 15 174,-0.4 2,-0.4 -2,-0.4 173,-0.4 -0.709 23.3-169.9 -90.4 131.5 11.7 35.7 8.5 46 72 A E E -F 38 0B 48 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.3 -0.988 17.9-133.9-123.0 136.0 10.7 39.3 8.8 47 73 A W E -F 37 0B 9 169,-0.5 -10,-0.2 -2,-0.4 17,-0.1 -0.649 18.2-176.9 -86.4 138.9 7.4 40.5 10.2 48 74 A I E - 0 0 0 -12,-2.8 13,-2.7 1,-0.4 2,-0.3 0.765 48.3 -95.5-103.2 -36.7 5.7 43.2 8.2 49 75 A G E -FH 36 60B 0 -13,-1.2 -13,-2.3 11,-0.3 -1,-0.4 -0.952 31.7 -96.3 149.4-172.9 2.7 43.9 10.4 50 76 A W E -FH 35 59B 27 9,-2.2 9,-2.4 -2,-0.3 2,-0.4 -0.950 15.1-151.9-138.9 162.9 -1.0 43.1 11.0 51 77 A I E -FH 34 58B 5 -17,-1.5 -17,-2.2 -2,-0.3 7,-0.3 -0.987 19.2-133.1-135.1 140.1 -4.4 44.4 10.1 52 78 A D E >>> - H 0 57B 17 5,-3.4 4,-2.2 -2,-0.4 3,-0.6 -0.873 17.3-158.0 -93.1 102.9 -7.6 43.9 12.2 53 79 A P T 345S+ 0 0 6 0, 0.0 21,-0.2 0, 0.0 -23,-0.2 0.616 85.5 61.9 -59.0 -12.8 -10.0 43.0 9.4 54 80 A E T 345S+ 0 0 122 -22,-0.3 -24,-0.1 -24,-0.2 -23,-0.0 0.886 126.8 4.5 -82.4 -42.7 -12.9 44.0 11.7 55 81 A N T <45S- 0 0 78 -3,-0.6 -1,-0.1 2,-0.1 -25,-0.0 0.211 98.7-112.2-126.1 8.0 -12.1 47.7 12.1 56 82 A G T <5 + 0 0 40 -4,-2.2 2,-0.2 1,-0.2 14,-0.1 0.699 57.0 160.1 70.1 17.6 -9.1 48.1 9.8 57 83 A D E < -H 52 0B 87 -5,-0.5 -5,-3.4 -6,-0.0 2,-0.3 -0.526 19.1-169.5 -70.5 143.7 -6.6 48.8 12.6 58 84 A T E -H 51 0B 51 -7,-0.3 2,-0.4 -2,-0.2 -7,-0.2 -0.925 20.9-163.4-134.2 159.5 -3.1 48.1 11.4 59 85 A E E -H 50 0B 72 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.4 -0.965 13.6-166.8-143.4 116.8 0.3 47.8 12.9 60 86 A Y E -H 49 0B 52 -2,-0.4 -11,-0.3 -11,-0.2 5,-0.1 -0.896 26.6-116.9-109.5 139.9 3.3 48.0 10.6 61 87 A A >> - 0 0 5 -13,-2.7 3,-1.4 -2,-0.4 4,-1.0 -0.478 36.4-113.2 -64.3 149.5 6.9 47.0 11.6 62 88 A P G >4 S+ 0 0 88 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.873 114.8 60.6 -56.8 -36.3 8.9 50.2 11.4 63 89 A K G 34 S+ 0 0 133 1,-0.2 4,-0.1 3,-0.1 -15,-0.1 0.765 112.5 38.5 -62.2 -24.5 11.0 48.9 8.5 64 90 A F G X> S+ 0 0 3 -3,-1.4 4,-2.6 -16,-0.2 3,-0.9 0.517 80.3 123.2-107.1 -2.2 7.8 48.5 6.4 65 91 A Q B << S+c 68 0A 150 -4,-1.0 4,-0.1 -3,-0.7 -16,-0.0 -0.416 89.3 12.2 -61.1 121.0 6.0 51.7 7.5 66 92 A G T 34 S+ 0 0 67 2,-0.6 -1,-0.3 -2,-0.2 -2,-0.1 -0.224 122.3 66.6 103.3 -42.2 5.4 53.5 4.2 67 93 A K T <4 S+ 0 0 52 -3,-0.9 17,-1.5 -4,-0.1 2,-0.3 0.853 99.1 51.1 -79.9 -38.3 6.4 50.5 2.0 68 94 A A E < -cD 65 83A 3 -4,-2.6 -2,-0.6 15,-0.2 2,-0.4 -0.749 58.4-173.5-105.9 152.5 3.5 48.3 2.9 69 95 A T E - D 0 82A 60 13,-1.2 13,-2.3 -2,-0.3 2,-0.4 -0.968 10.2-156.1-142.9 121.4 -0.3 48.9 3.0 70 96 A F E + D 0 81A 7 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.844 20.6 161.3-101.6 140.4 -2.8 46.4 4.3 71 97 A T E - D 0 80A 56 9,-1.4 9,-2.9 -2,-0.4 2,-0.3 -0.905 16.8-157.2-147.0 162.2 -6.4 46.4 3.2 72 98 A T E - D 0 79A 41 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.903 18.1-151.8-140.7 167.6 -9.1 43.8 3.5 73 99 A D E >>> - D 0 78A 62 5,-2.5 5,-1.9 -2,-0.3 3,-1.2 -0.784 13.6-177.5-143.3 84.0 -12.4 42.7 1.8 74 100 A T T 345S+ 0 0 54 1,-0.3 3,-0.2 3,-0.2 -44,-0.1 0.821 78.1 69.8 -57.3 -27.8 -14.2 41.0 4.5 75 101 A S T 345S+ 0 0 117 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.848 114.6 26.9 -58.1 -38.3 -17.0 40.3 2.0 76 102 A S T <45S- 0 0 51 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.384 111.6-121.0-103.0 -3.0 -14.7 37.9 0.2 77 103 A N T <5 + 0 0 25 -4,-0.9 -53,-2.1 1,-0.2 2,-0.4 0.943 66.2 139.6 60.8 55.2 -12.7 37.1 3.3 78 104 A T E < -BD 23 73A 7 -5,-1.9 -5,-2.5 -55,-0.2 2,-0.3 -0.977 42.3-156.4-137.0 141.3 -9.5 38.3 1.7 79 105 A A E -BD 22 72A 0 -57,-2.8 -57,-1.7 -2,-0.4 2,-0.4 -0.878 13.4-153.9-113.3 145.4 -6.6 40.4 2.9 80 106 A Y E -BD 21 71A 59 -9,-2.9 -9,-1.4 -2,-0.3 2,-0.5 -0.916 5.1-158.9-121.8 145.2 -4.4 42.3 0.5 81 107 A L E -BD 20 70A 0 -61,-2.5 -61,-2.9 -2,-0.4 2,-0.6 -0.988 8.5-166.4-123.6 120.2 -0.8 43.4 0.9 82 108 A Q E -BD 19 69A 68 -13,-2.3 -13,-1.2 -2,-0.5 2,-0.4 -0.937 3.1-169.6-111.4 119.4 0.5 46.3 -1.3 83 109 A L E -BD 18 68A 0 -65,-1.8 -65,-1.8 -2,-0.6 2,-0.3 -0.862 9.8-154.5-104.7 144.3 4.2 46.8 -1.5 84 110 A S + 0 0 31 -17,-1.5 -67,-0.2 -2,-0.4 -68,-0.1 -0.808 61.0 8.2-121.1 159.9 5.6 49.9 -3.1 85 111 A S S S- 0 0 80 -70,-0.4 -68,-0.2 -2,-0.3 -1,-0.2 0.810 80.8-156.7 42.0 46.9 8.7 51.0 -4.8 86 112 A L - 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