==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CATALYTIC ANTIBODY 06-FEB-96 1GAF . COMPND 2 MOLECULE: CHIMERIC 48G7 FAB; . SOURCE 2 FRAGMENT: CONSTANT DOMAINS OF LIGHT AND HEAVY CHAINS; . AUTHOR G.J.WEDEMAYER,P.A.PATTEN,R.C.STEVENS,P.G.SCHULTZ . 431 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 38.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 44 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 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 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 4 5 2 6 5 7 0 0 1 1 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 5 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 1 L D 0 0 105 0, 0.0 2,-0.4 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 127.1 52.0 -15.4 0.0 2 2 L I - 0 0 7 93,-0.4 2,-0.4 24,-0.0 88,-0.1 -0.610 360.0-148.4 -78.0 127.7 51.7 -17.4 3.3 3 3 L Q - 0 0 136 -2,-0.4 23,-1.9 94,-0.0 2,-0.6 -0.834 3.5-154.2-101.9 135.9 48.2 -17.5 4.7 4 4 L M E -A 25 0A 15 94,-0.5 2,-0.7 -2,-0.4 96,-0.4 -0.942 4.7-159.9-109.5 117.4 47.4 -17.7 8.4 5 5 L T E -A 24 0A 97 19,-2.5 19,-2.4 -2,-0.6 2,-0.4 -0.879 11.6-161.6-100.5 111.9 44.1 -19.3 9.4 6 6 L Q E -A 23 0A 18 -2,-0.7 17,-0.2 17,-0.2 94,-0.0 -0.792 11.9-134.8 -98.9 131.7 43.1 -18.2 12.9 7 7 L S E +A 22 0A 62 15,-2.5 15,-2.6 -2,-0.4 2,-0.1 -0.990 69.2 21.6-140.9 143.4 40.5 -20.2 15.0 8 8 L P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.724 58.0-162.4 -85.2 173.6 38.2 -19.6 16.7 9 9 L S S S+ 0 0 90 1,-0.2 94,-2.0 93,-0.2 2,-0.3 0.716 80.1 27.1 -88.0 -22.5 37.0 -16.2 15.6 10 10 L S E -d 103 0B 84 92,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.986 65.2-179.9-138.7 146.8 34.9 -15.7 18.8 11 11 L L E -d 104 0B 44 92,-2.1 94,-2.9 -2,-0.3 2,-0.5 -0.972 12.7-159.2-151.7 130.1 35.3 -17.1 22.3 12 12 L S E +d 105 0B 47 -2,-0.3 2,-0.3 92,-0.2 94,-0.2 -0.956 28.3 162.3-109.5 127.0 33.2 -16.7 25.5 13 13 L A E -d 106 0B 0 92,-2.4 94,-2.0 -2,-0.5 2,-0.2 -0.980 32.7-120.7-147.5 158.0 35.0 -17.5 28.7 14 14 L S > - 0 0 45 -2,-0.3 3,-1.7 92,-0.2 64,-0.3 -0.564 44.6 -86.1 -94.2 160.1 34.8 -17.0 32.5 15 15 L L T 3 S+ 0 0 109 1,-0.3 64,-0.2 92,-0.2 -1,-0.1 -0.402 115.9 24.9 -65.2 136.8 37.4 -15.4 34.7 16 16 L G T 3 S+ 0 0 42 62,-2.6 -1,-0.3 1,-0.3 2,-0.1 0.404 92.6 132.4 88.9 -1.1 40.0 -18.0 35.8 17 17 L E < - 0 0 79 -3,-1.7 61,-2.5 60,-0.1 2,-0.5 -0.484 57.1-125.6 -85.9 151.4 39.5 -20.2 32.8 18 18 L R + 0 0 156 59,-0.2 2,-0.3 -2,-0.1 58,-0.2 -0.865 35.3 179.6 -96.1 127.2 42.3 -21.6 30.6 19 19 L V E - B 0 75A 8 56,-1.7 56,-2.3 -2,-0.5 2,-0.4 -0.952 16.0-156.6-130.6 153.2 41.9 -20.8 26.9 20 20 L S E - B 0 74A 45 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.995 2.3-166.2-133.1 134.3 43.8 -21.6 23.7 21 21 L L E - B 0 73A 0 52,-2.5 52,-2.4 -2,-0.4 2,-0.3 -0.934 15.3-154.9-116.2 143.5 43.8 -19.7 20.4 22 22 L T E -AB 7 72A 31 -15,-2.6 -15,-2.5 -2,-0.4 2,-0.4 -0.922 15.7-170.0-129.5 147.1 45.3 -21.3 17.3 23 23 L a E -AB 6 71A 0 48,-2.7 48,-2.7 -2,-0.3 2,-0.5 -0.990 11.9-156.7-133.0 121.2 46.9 -20.1 13.9 24 24 L R E -AB 5 70A 129 -19,-2.4 -19,-2.5 -2,-0.4 2,-0.4 -0.867 10.6-143.3-101.3 132.1 47.7 -22.6 11.1 25 25 L A E -A 4 0A 7 44,-1.9 -21,-0.2 -2,-0.5 4,-0.1 -0.794 6.9-146.4 -94.5 134.9 50.3 -21.6 8.5 26 26 L S S S+ 0 0 69 -23,-1.9 2,-0.3 -2,-0.4 -1,-0.1 0.698 86.8 22.8 -70.3 -21.1 49.8 -22.6 4.9 27 27 L Q S S- 0 0 111 -24,-0.2 2,-0.2 42,-0.1 -2,-0.0 -0.908 104.9 -71.9-138.8 167.5 53.5 -23.1 4.5 28 28 L E + 0 0 123 -2,-0.3 -2,-0.1 1,-0.2 41,-0.1 -0.419 43.8 170.6 -64.2 125.6 56.5 -23.8 6.8 29 29 L I > - 0 0 2 -2,-0.2 3,-1.9 -4,-0.1 62,-0.2 0.354 35.0-137.8-116.9 -0.1 57.4 -20.7 8.8 30 30 L N T 3 - 0 0 112 1,-0.3 3,-0.1 62,-0.0 -2,-0.1 0.866 67.4 -47.5 43.6 58.9 59.9 -22.3 11.2 31 31 L G T 3 S+ 0 0 20 1,-0.2 2,-1.1 20,-0.1 -1,-0.3 0.380 99.3 133.4 73.1 -9.0 58.9 -20.8 14.5 32 32 L Y < + 0 0 109 -3,-1.9 59,-0.4 18,-0.2 2,-0.3 -0.692 33.5 121.3 -77.4 103.6 58.7 -17.2 13.1 33 33 L L - 0 0 0 -2,-1.1 18,-2.8 57,-0.2 2,-0.3 -0.881 39.5-164.0-166.1 133.1 55.4 -16.1 14.6 34 34 L G E -E 89 0B 9 55,-2.5 55,-2.0 -2,-0.3 2,-0.4 -0.826 10.0-144.7-119.3 158.5 54.3 -13.3 16.9 35 35 L W E -EF 88 48B 2 13,-2.1 12,-2.7 -2,-0.3 13,-1.5 -0.986 16.0-168.8-125.2 136.8 51.1 -12.7 18.8 36 36 L L E -EF 87 46B 7 51,-3.0 51,-2.2 -2,-0.4 2,-0.4 -0.901 10.4-149.9-125.2 154.2 49.4 -9.3 19.4 37 37 L Q E -EF 86 45B 6 8,-2.4 8,-2.3 -2,-0.3 2,-0.5 -0.960 6.3-164.1-124.4 136.0 46.7 -8.0 21.7 38 38 L Q E -EF 85 44B 10 47,-3.0 47,-2.4 -2,-0.4 6,-0.2 -0.987 11.4-149.3-123.4 119.6 44.3 -5.1 20.8 39 39 L K > - 0 0 72 4,-2.3 3,-2.5 -2,-0.5 45,-0.1 -0.440 34.6 -99.7 -79.8 162.5 42.3 -3.5 23.6 40 40 L P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 44,-0.0 0.634 121.5 63.0 -58.9 -13.7 38.9 -2.0 22.9 41 41 L D T 3 S- 0 0 115 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.377 121.7-104.5 -91.4 3.8 40.5 1.5 22.9 42 42 L G S < S+ 0 0 16 -3,-2.5 2,-0.2 1,-0.3 0, 0.0 0.338 71.4 146.4 92.8 -5.1 42.6 0.5 19.8 43 43 L T - 0 0 62 -5,-0.1 -4,-2.3 1,-0.0 2,-0.4 -0.467 31.8-158.5 -70.2 128.2 45.9 0.1 21.7 44 44 L I E +F 38 0B 9 276,-0.3 2,-0.4 -2,-0.2 275,-0.2 -0.910 12.8 177.6-110.7 135.1 48.0 -2.7 20.2 45 45 L K E -F 37 0B 72 -8,-2.3 -8,-2.4 -2,-0.4 2,-0.4 -0.996 29.3-119.7-138.9 142.0 50.8 -4.5 22.1 46 46 L R E +F 36 0B 25 -2,-0.4 -10,-0.2 271,-0.3 3,-0.1 -0.656 30.4 170.8 -79.8 133.4 53.2 -7.3 21.3 47 47 L L E + 0 0 1 -12,-2.7 8,-2.6 -2,-0.4 2,-0.3 0.780 62.0 14.1-107.1 -48.1 52.8 -10.3 23.6 48 48 L I E -FG 35 54B 0 -13,-1.5 -13,-2.1 6,-0.2 -1,-0.3 -0.960 54.1-178.9-138.4 147.3 55.0 -13.0 22.0 49 49 L Y E > S+ G 0 53B 75 4,-2.5 4,-2.1 -2,-0.3 3,-0.4 -0.930 70.6 30.5-137.8 158.6 57.7 -13.4 19.3 50 50 L A T 4 S- 0 0 43 -2,-0.3 2,-1.7 1,-0.3 -16,-0.2 0.827 121.1 -80.5 60.1 31.6 59.6 -16.4 18.0 51 51 L A T 4 S+ 0 0 7 -18,-2.8 -1,-0.3 1,-0.2 -19,-0.1 -0.121 125.5 26.5 70.7 -37.7 56.5 -18.5 18.7 52 52 L S T 4 S+ 0 0 63 -2,-1.7 2,-0.6 -3,-0.4 12,-0.3 0.401 88.7 106.2-135.6 1.3 57.2 -18.9 22.5 53 53 L T E < -G 49 0B 62 -4,-2.1 -4,-2.5 10,-0.1 2,-0.2 -0.779 61.1-135.0 -92.4 123.9 59.3 -16.0 23.7 54 54 L L E -G 48 0B 37 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.1 -0.471 16.3-116.8 -78.2 144.5 57.5 -13.4 25.9 55 55 L H > - 0 0 36 -8,-2.6 3,-2.1 -2,-0.2 -1,-0.1 -0.466 51.0 -81.3 -72.8 147.9 57.8 -9.7 25.4 56 56 L S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.269 116.3 14.8 -56.7 125.9 59.4 -7.9 28.5 57 57 L G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.412 88.6 137.0 92.1 -2.8 56.8 -7.3 31.1 58 58 L V < - 0 0 8 -3,-2.1 -1,-0.3 -11,-0.1 -4,-0.1 -0.629 64.2 -98.7 -80.6 133.5 54.1 -9.6 29.8 59 59 L P > - 0 0 40 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.183 22.6-128.8 -51.6 138.9 52.4 -11.8 32.4 60 60 L K T 3 S+ 0 0 181 1,-0.3 16,-0.1 -3,-0.1 -2,-0.0 0.507 100.4 81.0 -69.2 -4.3 53.7 -15.3 32.7 61 61 L R T 3 S+ 0 0 49 14,-0.1 15,-2.6 16,-0.1 2,-0.3 0.669 80.5 80.3 -73.9 -15.8 50.2 -16.7 32.4 62 62 L F E < +C 75 0A 4 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.741 60.2 163.4 -91.6 138.5 50.6 -16.2 28.6 63 63 L S E -C 74 0A 57 11,-1.9 11,-3.1 -2,-0.3 2,-0.3 -0.986 22.2-148.6-151.7 155.4 52.5 -18.9 26.7 64 64 L G E +C 73 0A 11 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.955 18.3 168.2-128.3 150.4 53.0 -20.0 23.1 65 65 L S E -C 72 0A 59 7,-2.0 7,-2.3 -2,-0.3 2,-0.4 -0.928 21.9-132.5-150.8 173.5 53.7 -23.4 21.5 66 66 L R E +C 71 0A 106 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.996 16.6 173.6-137.2 139.4 53.8 -25.3 18.2 67 67 L S E > -C 70 0A 96 3,-2.7 3,-1.9 -2,-0.4 2,-0.3 -0.856 70.0 -53.1-145.4 98.8 52.4 -28.6 17.0 68 68 L G T 3 S- 0 0 55 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.501 120.9 -18.7 72.4-123.9 52.9 -29.3 13.3 69 69 L S T 3 S+ 0 0 50 -2,-0.3 -44,-1.9 -3,-0.1 2,-0.5 0.469 119.5 97.5 -94.6 -3.4 51.5 -26.4 11.3 70 70 L D E < -BC 24 67A 41 -3,-1.9 -3,-2.7 -46,-0.2 2,-0.5 -0.764 53.4-168.8 -94.8 125.9 49.5 -25.2 14.3 71 71 L Y E -BC 23 66A 3 -48,-2.7 -48,-2.7 -2,-0.5 2,-0.3 -0.948 12.5-162.6-112.9 129.8 50.8 -22.4 16.5 72 72 L S E -BC 22 65A 23 -7,-2.3 -7,-2.0 -2,-0.5 2,-0.5 -0.859 19.5-156.4-120.6 151.9 48.9 -21.7 19.8 73 73 L L E -BC 21 64A 0 -52,-2.4 -52,-2.5 -2,-0.3 2,-0.4 -0.989 21.7-166.6-119.1 124.5 48.7 -18.9 22.4 74 74 L T E -BC 20 63A 17 -11,-3.1 -11,-1.9 -2,-0.5 2,-0.6 -0.962 16.2-162.3-121.0 134.5 47.5 -20.2 25.8 75 75 L I E -BC 19 62A 0 -56,-2.3 -56,-1.7 -2,-0.4 3,-0.3 -0.968 11.9-157.0-111.7 106.7 46.3 -18.1 28.7 76 76 L S S S+ 0 0 66 -15,-2.6 2,-0.3 -2,-0.6 -1,-0.1 0.836 79.6 5.2 -55.6 -36.7 46.6 -20.4 31.7 77 77 L S S S- 0 0 46 -16,-0.1 -1,-0.3 -59,-0.1 -59,-0.2 -0.840 83.6-124.5-155.5 110.4 44.0 -18.5 33.8 78 78 L L - 0 0 0 -61,-2.5 -62,-2.6 -3,-0.3 2,-0.3 -0.294 24.9-169.2 -61.5 132.9 42.0 -15.5 32.4 79 79 L E > - 0 0 81 -64,-0.2 3,-2.3 -63,-0.1 4,-0.3 -0.809 37.8-101.2-117.4 162.2 42.1 -12.2 34.2 80 80 L S G > S+ 0 0 83 1,-0.3 3,-1.3 -2,-0.3 -1,-0.1 0.830 120.1 54.8 -50.4 -42.7 39.8 -9.1 33.6 81 81 L E G 3 S+ 0 0 113 1,-0.2 -1,-0.3 -42,-0.0 -3,-0.0 0.584 96.1 70.1 -71.3 -9.4 42.4 -7.3 31.6 82 82 L D G < + 0 0 3 -3,-2.3 2,-1.2 2,-0.1 -1,-0.2 0.540 66.7 103.3 -85.3 -10.6 42.8 -10.2 29.2 83 83 L F < + 0 0 29 -3,-1.3 2,-0.2 -4,-0.3 22,-0.1 -0.665 59.6 96.6 -79.0 99.3 39.4 -9.8 27.5 84 84 L A S S- 0 0 9 -2,-1.2 20,-2.2 -45,-0.1 2,-0.4 -0.811 78.2 -65.2-157.9-164.8 40.4 -8.3 24.2 85 85 L D E -EH 38 103B 30 -47,-2.4 -47,-3.0 -2,-0.2 2,-0.4 -0.848 43.3-158.3-104.1 140.4 41.1 -9.1 20.6 86 86 L Y E -EH 37 102B 0 16,-2.4 16,-1.6 -2,-0.4 2,-0.3 -0.945 9.6-177.6-123.0 141.8 44.1 -11.3 19.6 87 87 L Y E -E 36 0B 13 -51,-2.2 -51,-3.0 -2,-0.4 2,-0.3 -0.995 15.0-147.5-137.7 140.7 46.0 -11.6 16.3 88 88 L a E -E 35 0B 0 -2,-0.3 11,-2.1 -53,-0.2 2,-0.3 -0.719 16.2-164.6-100.9 158.8 48.9 -13.8 15.1 89 89 L L E -EI 34 98B 29 -55,-2.0 -55,-2.5 -2,-0.3 2,-0.3 -0.976 8.1-146.8-148.1 127.3 51.4 -12.5 12.5 90 90 L Q E + I 0 97B 0 7,-2.3 7,-0.9 -2,-0.3 -57,-0.2 -0.769 17.9 173.3 -96.8 148.0 54.0 -14.4 10.4 91 91 L Y + 0 0 37 -59,-0.4 -58,-0.1 -2,-0.3 5,-0.1 -0.196 48.5 108.3-143.1 37.1 57.3 -12.9 9.4 92 92 L A S S- 0 0 40 -60,-0.2 2,-0.3 1,-0.2 4,-0.1 0.720 92.6 -0.8 -86.1 -26.3 59.0 -15.8 7.8 93 93 L S S S- 0 0 41 2,-0.2 -1,-0.2 -91,-0.1 4,-0.1 -0.921 93.7 -55.3-152.6 173.4 58.6 -14.2 4.3 94 94 L Y S S+ 0 0 75 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.841 105.4 45.9-102.6 139.0 57.3 -11.2 2.5 95 95 L P S S- 0 0 6 0, 0.0 -93,-0.4 0, 0.0 2,-0.2 0.605 85.7-135.4 -78.8 156.4 54.5 -10.1 2.6 96 96 L R - 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