==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CATALYTIC ANTIBODY 05-DEC-97 1A0Q . COMPND 2 MOLECULE: 29G11 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.L.BUCHBINDER,R.C.STEPHENSON,T.S.SCANLAN,R.J.FLETTERICK . 416 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 52 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 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 RESIDUES PER ALPHA HELIX . 1 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 3 5 4 3 10 0 0 2 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 4 2 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 2 L I 0 0 31 0, 0.0 2,-0.3 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 119.7 26.3 12.0 59.1 2 3 L E - 0 0 115 93,-0.0 23,-1.8 2,-0.0 2,-0.4 -0.728 360.0-157.1 -95.8 145.0 26.2 10.5 55.6 3 4 L L E -A 24 0A 16 93,-0.4 2,-0.7 -2,-0.3 21,-0.2 -0.982 5.1-154.9-126.7 122.1 22.9 9.3 53.9 4 5 L T E -A 23 0A 95 19,-2.5 19,-1.2 -2,-0.4 2,-0.4 -0.830 12.4-164.6-101.0 107.9 23.1 6.8 51.0 5 6 L Q E -A 22 0A 22 -2,-0.7 17,-0.2 17,-0.2 -2,-0.0 -0.740 7.8-140.9 -98.7 140.4 20.2 6.9 48.5 6 7 L S E S+A 21 0A 64 15,-2.1 15,-2.9 -2,-0.4 2,-0.1 -0.987 70.3 33.2-143.7 143.2 19.3 4.2 46.0 7 8 L P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.686 60.8-157.4 -75.0 162.3 18.3 4.0 43.1 8 9 L S S S- 0 0 78 1,-0.3 93,-1.8 92,-0.1 2,-0.3 0.777 81.6 -0.3 -65.5 -32.8 19.9 7.1 41.5 9 10 L S E S-d 101 0B 78 91,-0.3 2,-0.3 75,-0.0 -1,-0.3 -0.974 71.1-169.8-159.0 152.0 17.2 7.0 38.9 10 11 L L E -d 102 0B 49 91,-2.4 93,-2.2 -2,-0.3 2,-0.4 -0.976 16.6-153.8-149.7 153.8 14.1 4.9 38.1 11 12 L S E +d 103 0B 43 -2,-0.3 2,-0.3 91,-0.2 93,-0.2 -0.977 26.2 175.1-131.7 116.7 11.5 4.2 35.5 12 13 L A E -d 104 0B 8 91,-2.4 93,-2.3 -2,-0.4 3,-0.1 -0.933 29.8-100.0-128.8 148.9 8.2 2.8 36.7 13 14 L S > - 0 0 66 -2,-0.3 3,-1.3 91,-0.2 2,-0.4 -0.035 42.1 -95.3 -58.5 160.7 4.8 1.9 35.1 14 15 L L T 3 S+ 0 0 103 1,-0.2 64,-0.2 90,-0.1 -1,-0.1 -0.674 116.2 15.0 -75.5 127.9 1.7 4.0 35.2 15 16 L G T 3 S+ 0 0 42 62,-1.8 61,-0.4 -2,-0.4 -1,-0.2 0.555 112.0 110.5 82.1 8.7 -0.4 2.7 38.1 16 17 L G < - 0 0 21 -3,-1.3 61,-1.3 59,-0.2 2,-0.3 -0.224 64.3 -97.0-103.9-167.8 2.6 0.8 39.4 17 18 L K - 0 0 138 58,-0.2 2,-0.3 59,-0.1 58,-0.2 -0.751 22.3-170.7-121.0 162.4 5.0 1.0 42.4 18 19 L V E - B 0 74A 6 56,-1.8 56,-1.6 -2,-0.3 2,-0.4 -0.993 5.0-162.4-148.5 136.8 8.4 2.3 43.4 19 20 L T E - B 0 73A 66 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.990 5.4-170.7-130.3 125.7 10.6 1.9 46.4 20 21 L I E - B 0 72A 0 52,-2.4 52,-1.7 -2,-0.4 2,-0.3 -0.926 10.9-153.8-111.4 135.8 13.5 4.3 47.3 21 22 L T E -AB 6 71A 65 -15,-2.9 -15,-2.1 -2,-0.4 2,-0.4 -0.849 10.6-170.1-113.4 146.6 15.9 3.5 50.0 22 23 L a E -AB 5 70A 1 48,-2.4 48,-2.7 -2,-0.3 2,-0.5 -0.997 5.1-163.3-130.8 138.7 18.1 5.6 52.3 23 24 L K E -AB 4 69A 91 -19,-1.2 -19,-2.5 -2,-0.4 46,-0.2 -0.950 10.8-150.3-126.5 108.0 20.8 4.3 54.6 24 25 L A E -A 3 0A 0 44,-2.4 -21,-0.2 -2,-0.5 4,-0.1 -0.405 16.7-131.8 -71.4 151.3 22.1 6.5 57.3 25 26 L S S S+ 0 0 37 -23,-1.8 2,-0.2 -2,-0.1 -1,-0.1 0.732 91.8 18.7 -75.1 -23.5 25.7 6.2 58.5 26 27 L Q S S- 0 0 106 -24,-0.3 2,-0.3 41,-0.1 -2,-0.1 -0.822 106.5 -72.0-135.2 169.3 24.6 6.2 62.2 27 28 L D - 0 0 67 -2,-0.2 41,-0.2 1,-0.2 -2,-0.1 -0.558 43.4-175.6 -66.3 126.2 21.2 5.6 64.0 28 29 L I > - 0 0 0 39,-2.3 3,-2.2 -2,-0.3 62,-0.2 0.202 34.3-127.8-109.0 10.8 19.2 8.6 63.2 29 30 L K T 3 - 0 0 88 38,-0.3 39,-0.1 1,-0.3 -2,-0.1 0.769 64.1 -57.7 50.2 43.7 16.2 7.5 65.4 30 31 L K T 3 S+ 0 0 80 37,-0.4 2,-2.0 1,-0.2 -1,-0.3 0.460 97.3 136.4 67.0 8.7 13.5 7.8 62.8 31 32 L Y < + 0 0 98 -3,-2.2 59,-2.2 18,-0.2 60,-0.5 -0.464 34.4 125.7 -86.1 70.9 14.2 11.5 62.2 32 33 L I E -E 89 0B 1 -2,-2.0 18,-2.2 57,-0.2 17,-0.4 -0.969 38.7-166.2-131.7 145.9 14.0 11.3 58.4 33 34 L G E -E 88 0B 2 55,-2.4 55,-1.8 -2,-0.4 2,-0.4 -0.881 10.7-142.8-128.3 159.0 12.0 13.2 55.8 34 35 L W E -EF 87 47B 1 13,-2.5 12,-2.7 -2,-0.3 13,-1.5 -0.992 16.9-166.4-132.5 126.3 11.2 12.7 52.1 35 36 L Y E -EF 86 45B 13 51,-2.7 51,-2.1 -2,-0.4 2,-0.5 -0.846 15.2-145.7-115.0 148.8 10.9 15.5 49.5 36 37 L Q E -EF 85 44B 3 8,-2.5 8,-2.4 -2,-0.3 2,-0.7 -0.956 15.9-167.4-113.0 118.2 9.5 15.8 46.0 37 38 L H E -EF 84 43B 9 47,-2.5 47,-2.5 -2,-0.5 5,-0.1 -0.874 3.6-173.6-114.0 103.7 11.4 18.1 43.8 38 39 L K > - 0 0 23 4,-1.2 3,-1.7 -2,-0.7 45,-0.1 -0.770 43.2 -83.8 -90.7 140.0 9.7 19.1 40.5 39 40 L P T 3 S- 0 0 79 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.142 109.6 -2.6 -44.7 124.6 11.7 21.1 38.0 40 41 L G T 3 S+ 0 0 90 1,-0.2 2,-0.2 -3,-0.0 -3,-0.0 0.770 123.3 81.2 60.7 29.9 11.6 24.9 38.6 41 42 L K S < S- 0 0 112 -3,-1.7 -1,-0.2 1,-0.1 3,-0.0 -0.649 83.2 -36.1-138.9-161.2 9.2 24.4 41.6 42 43 L Q - 0 0 105 -2,-0.2 -4,-1.2 -3,-0.1 2,-0.7 -0.401 36.8-135.9 -64.4 126.8 8.9 23.5 45.3 43 44 L P E -F 37 0B 7 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.871 43.7-157.7 -65.4 118.7 10.9 20.9 47.1 44 45 L R E -F 36 0B 87 -8,-2.4 -8,-2.5 -2,-0.7 2,-0.3 -0.958 12.3-128.8-116.6 120.6 7.8 19.7 48.6 45 46 L L E +F 35 0B 28 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.498 33.0 164.3 -75.7 132.6 7.7 17.7 51.9 46 47 L L E + 0 0 0 -12,-2.7 8,-3.2 1,-0.3 2,-0.4 0.719 63.0 20.5-109.6 -48.9 5.8 14.6 51.7 47 48 L I E -FG 34 53B 0 -13,-1.5 -13,-2.5 6,-0.3 -1,-0.3 -0.998 59.2-179.7-134.8 129.9 6.8 12.5 54.7 48 49 L H E > + G 0 52B 71 4,-3.2 4,-1.4 -2,-0.4 -15,-0.2 -0.933 66.7 25.3-125.6 161.9 8.4 13.4 58.0 49 50 L Y T 4 S- 0 0 96 -17,-0.4 2,-2.5 -2,-0.3 3,-0.4 0.926 122.7 -74.9 48.1 53.8 9.5 11.3 61.1 50 51 L T T 4 S+ 0 0 0 -18,-2.2 -1,-0.2 1,-0.2 -19,-0.1 -0.363 126.1 21.4 65.2 -58.9 9.8 8.2 58.8 51 52 L S T 4 S+ 0 0 64 -2,-2.5 2,-0.7 -3,-0.1 -1,-0.2 0.530 86.4 112.0-116.9 -14.5 6.0 7.5 58.3 52 53 L T E < -G 48 0B 69 -4,-1.4 -4,-3.2 -3,-0.4 2,-0.2 -0.571 57.2-145.8 -80.8 117.7 4.0 10.6 59.0 53 54 L L E -G 47 0B 55 -2,-0.7 -6,-0.3 -6,-0.2 3,-0.1 -0.525 15.0-120.5 -77.0 140.2 2.6 11.8 55.9 54 55 L L > - 0 0 45 -8,-3.2 3,-1.3 -2,-0.2 -1,-0.1 -0.404 51.4 -70.3 -81.6 163.4 2.2 15.5 55.5 55 56 L P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.241 114.4 8.3 -69.1 138.7 -1.4 16.8 54.9 56 57 L G T 3 S+ 0 0 79 1,-0.3 3,-0.1 -3,-0.1 -2,-0.0 0.175 89.8 132.3 84.0 -18.0 -3.3 16.1 51.7 57 58 L I < - 0 0 14 -3,-1.3 -1,-0.3 -11,-0.1 -4,-0.1 -0.511 64.9-104.2 -68.4 124.5 -0.6 13.7 50.5 58 59 L P > - 0 0 50 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.102 16.5-115.1 -54.8 150.8 -2.3 10.5 49.2 59 60 L S T 3 S+ 0 0 124 1,-0.3 -2,-0.1 -3,-0.1 -6,-0.0 0.815 109.6 73.1 -51.8 -35.8 -2.5 7.2 51.1 60 61 L R T 3 S+ 0 0 30 16,-0.1 15,-1.5 15,-0.1 2,-0.5 0.535 81.0 80.7 -62.0 -12.0 -0.4 5.6 48.3 61 62 L F E < +C 74 0A 8 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.884 64.9 169.7 -94.8 131.3 2.8 7.5 49.5 62 63 L R E -C 73 0A 49 11,-2.4 11,-2.2 -2,-0.5 2,-0.3 -0.909 21.5-157.7-138.7 159.6 4.3 5.6 52.5 63 64 L G E +C 72 0A 8 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 13.5 176.5-139.7 144.8 7.5 5.6 54.5 64 65 L S E +C 71 0A 65 7,-2.5 7,-2.0 -2,-0.3 2,-0.2 -0.903 20.9 82.6-140.5 168.5 9.2 2.9 56.7 65 66 L G E -C 70 0A 26 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.526 30.2-156.7 126.8 170.4 12.3 2.3 58.8 66 67 L S E > +C 69 0A 72 3,-1.2 3,-1.4 -2,-0.2 2,-0.4 -0.925 67.8 19.1-170.1 169.1 14.2 2.7 62.1 67 68 L G T 3 S- 0 0 27 -2,-0.3 -39,-2.3 1,-0.3 -37,-0.4 -0.408 130.9 -31.0 65.5-116.9 17.9 2.6 63.1 68 69 L R T 3 S+ 0 0 108 -2,-0.4 -44,-2.4 -41,-0.2 2,-0.6 0.551 118.8 88.1-110.3 -13.9 19.9 3.3 59.9 69 70 L D E < +BC 23 66A 87 -3,-1.4 -3,-1.2 -46,-0.2 2,-0.3 -0.801 49.7 169.1-109.0 116.5 17.6 1.7 57.3 70 71 L Y E -BC 22 65A 7 -48,-2.7 -48,-2.4 -2,-0.6 2,-0.3 -0.885 11.1-173.0-127.2 148.4 14.7 3.6 55.6 71 72 L S E -BC 21 64A 33 -7,-2.0 -7,-2.5 -2,-0.3 2,-0.3 -0.917 5.7-165.3-136.3 159.1 12.3 3.2 52.7 72 73 L F E -BC 20 63A 1 -52,-1.7 -52,-2.4 -2,-0.3 2,-0.3 -0.988 12.6-168.8-144.7 141.1 9.7 5.2 50.9 73 74 L S E -BC 19 62A 19 -11,-2.2 -11,-2.4 -2,-0.3 2,-0.4 -0.935 16.3-171.3-137.6 152.7 7.1 4.0 48.5 74 75 L I E -BC 18 61A 0 -56,-1.6 -56,-1.8 -2,-0.3 2,-0.3 -0.965 14.4-175.9-139.9 124.7 4.6 5.3 46.0 75 76 L S + 0 0 41 -15,-1.5 -58,-0.2 -2,-0.4 -59,-0.2 -0.840 62.7 35.2-117.5 161.8 2.1 2.9 44.5 76 77 L N S S- 0 0 103 -61,-0.4 -1,-0.2 -2,-0.3 -59,-0.1 0.976 86.0-144.8 54.8 59.7 -0.5 3.7 41.8 77 78 L L - 0 0 5 -61,-1.3 -62,-1.8 -64,-0.3 -1,-0.1 -0.280 17.5-167.3 -59.3 135.4 1.7 6.1 39.9 78 79 L E > - 0 0 78 -64,-0.2 3,-1.8 -63,-0.1 -1,-0.0 -0.868 35.1-111.7-118.1 149.0 0.2 9.1 38.3 79 80 L P G > S+ 0 0 37 0, 0.0 3,-1.5 0, 0.0 89,-0.1 0.856 113.8 69.4 -49.2 -38.9 2.0 11.3 35.7 80 81 L E G 3 S+ 0 0 92 1,-0.3 87,-0.1 87,-0.1 86,-0.1 0.691 84.0 71.9 -53.4 -23.8 2.0 14.2 38.2 81 82 L D G < + 0 0 2 -3,-1.8 2,-0.7 2,-0.0 -1,-0.3 0.209 63.2 124.0 -81.8 11.5 4.5 12.2 40.4 82 83 L I < + 0 0 15 -3,-1.5 2,-0.3 84,-0.2 21,-0.1 -0.706 42.3 108.7 -74.5 115.6 7.4 12.8 37.9 83 84 L A S S- 0 0 5 -2,-0.7 19,-2.5 19,-0.5 2,-0.5 -0.962 74.0 -93.4-171.0 170.9 10.0 14.5 40.1 84 85 L T E -EH 37 101B 9 -47,-2.5 -47,-2.5 -2,-0.3 2,-0.4 -0.949 45.1-148.8-102.7 131.3 13.5 13.9 41.7 85 86 L Y E -EH 36 100B 1 15,-2.6 15,-1.4 -2,-0.5 2,-0.4 -0.811 13.8-169.6-106.9 138.3 13.0 12.6 45.2 86 87 L Y E -E 35 0B 0 -51,-2.1 -51,-2.7 -2,-0.4 2,-0.3 -0.934 15.0-147.0-126.1 144.0 15.2 13.1 48.3 87 88 L a E -E 34 0B 0 -2,-0.4 10,-1.8 -53,-0.2 2,-0.3 -0.691 19.0-166.5 -94.4 164.3 15.5 11.7 51.8 88 89 L L E -EI 33 96B 16 -55,-1.8 -55,-2.4 -2,-0.3 2,-0.4 -0.865 11.5-153.5-154.5 116.7 16.7 14.0 54.5 89 90 L Q E +EI 32 95B 0 6,-1.9 6,-1.5 -2,-0.3 -57,-0.2 -0.752 13.7 176.1 -89.8 137.4 17.9 13.2 58.0 90 91 L Y + 0 0 59 -59,-2.2 3,-0.3 -2,-0.4 -58,-0.1 -0.042 49.7 107.2-127.5 31.6 17.4 16.0 60.5 91 92 L Y S S+ 0 0 100 -60,-0.5 2,-0.4 1,-0.3 3,-0.1 0.899 97.6 8.9 -74.6 -46.2 18.6 14.0 63.5 92 93 L N S S- 0 0 95 1,-0.2 -1,-0.3 -61,-0.1 -3,-0.1 -0.888 133.7 -45.0-142.0 109.1 21.9 15.9 63.8 93 94 L L S S- 0 0 50 -2,-0.4 2,-0.4 -3,-0.3 -1,-0.2 -0.332 93.7 -62.9 59.3-148.7 22.1 18.9 61.5 94 96 L R + 0 0 67 -4,-0.1 2,-0.3 -3,-0.1 -4,-0.2 -0.995 47.1 173.1-134.2 142.7 20.8 18.1 57.9 95 97 L T E -I 89 0B 33 -6,-1.5 -6,-1.9 -2,-0.4 2,-0.2 -0.970 16.3-150.4-145.3 125.5 21.9 15.8 55.2 96 98 L F E -I 88 0B 22 -2,-0.3 -93,-0.4 -8,-0.2 -8,-0.2 -0.566 19.9-119.8 -86.9 159.4 20.2 15.0 51.9 97 99 L G - 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