==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CATALYTIC ANTIBODY 16-APR-96 1KEM . COMPND 2 MOLECULE: 28B4 FAB; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR L.C.HSIEH-WILSON,P.G.SCHULTZ,R.C.STEVENS . 435 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 63.9 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 . 171 39.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 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 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 . 2 4 5 3 7 4 3 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 . 1 1 4 1 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 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 0 135 0, 0.0 2,-1.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 53.0 -20.6 -34.3 -19.0 2 2 L V - 0 0 3 97,-2.6 2,-0.5 24,-0.1 96,-0.1 -0.669 360.0-149.5 -79.8 100.3 -17.1 -35.7 -18.4 3 3 L L - 0 0 105 -2,-1.1 23,-1.5 96,-0.1 2,-0.3 -0.623 12.9-149.9 -76.0 118.4 -15.9 -33.6 -15.4 4 4 L M E -A 25 0A 31 -2,-0.5 2,-0.4 21,-0.2 21,-0.2 -0.654 13.4-169.6 -91.0 149.7 -12.1 -33.1 -15.5 5 5 L T E -A 24 0A 81 19,-2.6 19,-2.3 -2,-0.3 2,-0.4 -0.919 3.4-175.7-144.7 110.0 -9.8 -32.8 -12.6 6 6 L Q E -A 23 0A 13 -2,-0.4 17,-0.2 17,-0.2 99,-0.1 -0.868 25.0-116.4-103.8 138.3 -6.1 -31.7 -13.0 7 7 L T E +A 22 0A 56 15,-2.9 15,-3.0 -2,-0.4 2,-0.1 -0.989 68.8 17.5-145.2 155.7 -3.7 -31.6 -10.0 8 8 L P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.639 52.5-155.0 -90.0 170.3 -2.1 -30.1 -8.3 9 9 L L S S+ 0 0 141 1,-0.2 99,-2.5 98,-0.2 2,-0.4 0.953 88.6 23.0 -64.8 -43.6 -3.1 -26.4 -8.8 10 10 L S E -d 108 0B 40 97,-0.2 -1,-0.2 99,-0.1 99,-0.2 -0.955 68.5-164.2-126.6 141.6 0.4 -25.4 -7.7 11 11 L L E -d 109 0B 33 97,-3.1 99,-1.2 -2,-0.4 2,-0.2 -0.876 5.7-157.7-134.9 104.3 3.7 -27.3 -7.8 12 12 L P E +d 110 0B 47 0, 0.0 2,-0.3 0, 0.0 99,-0.2 -0.527 26.3 170.6 -69.4 130.9 6.8 -26.2 -5.8 13 13 L V E -d 111 0B 8 97,-2.1 99,-3.3 -2,-0.2 2,-0.4 -0.990 34.0-136.7-147.6 156.6 10.0 -27.6 -7.3 14 14 L S > - 0 0 51 -2,-0.3 3,-2.1 97,-0.2 69,-0.2 -0.904 47.7 -96.4-109.2 137.7 13.7 -27.3 -7.0 15 15 L L T 3 S+ 0 0 84 -2,-0.4 69,-0.2 1,-0.3 3,-0.1 -0.303 112.3 29.8 -55.2 138.2 15.5 -27.2 -10.4 16 16 L G T 3 S+ 0 0 33 67,-2.8 -1,-0.3 1,-0.4 68,-0.1 -0.042 97.3 114.2 100.7 -28.9 16.7 -30.7 -11.4 17 17 L D < - 0 0 88 -3,-2.1 66,-3.6 65,-0.2 65,-0.5 -0.068 69.6-106.2 -69.5 171.8 13.9 -32.4 -9.5 18 18 L Q E - B 0 81A 103 64,-0.2 2,-0.3 63,-0.2 63,-0.2 -0.732 30.8-162.8 -99.6 149.7 11.1 -34.5 -11.1 19 19 L A E - B 0 80A 4 61,-2.2 61,-0.8 -2,-0.3 2,-0.4 -0.917 6.4-167.5-130.6 155.5 7.6 -33.3 -11.4 20 20 L S E - B 0 79A 61 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.959 2.9-175.1-147.9 122.3 4.3 -35.1 -12.0 21 21 L I E - B 0 78A 0 57,-2.4 57,-3.0 -2,-0.4 2,-0.4 -0.955 14.3-152.2-115.5 141.9 1.1 -33.5 -12.9 22 22 L S E -AB 7 77A 23 -15,-3.0 -15,-2.9 -2,-0.4 2,-0.4 -0.907 13.2-167.2-121.7 149.2 -2.1 -35.6 -13.2 23 23 L a E +AB 6 76A 0 53,-2.0 53,-3.6 -2,-0.4 2,-0.3 -0.995 18.8 177.1-130.6 125.9 -5.2 -35.2 -15.2 24 24 L R E -AB 5 75A 126 -19,-2.3 -19,-2.6 -2,-0.4 2,-0.3 -0.986 13.1-152.6-135.5 149.5 -8.1 -37.5 -14.2 25 25 L F E -A 4 0A 12 49,-3.0 -21,-0.2 -2,-0.3 -23,-0.1 -0.895 23.2-132.9-124.1 151.6 -11.7 -37.8 -15.4 26 26 L S S S+ 0 0 77 -23,-1.5 2,-0.3 -2,-0.3 -22,-0.1 0.790 99.0 24.4 -66.3 -32.0 -15.0 -39.1 -13.9 27 27 L Q S S- 0 0 110 -24,-0.2 2,-0.2 46,-0.1 -2,-0.0 -0.844 101.4 -84.4-130.1 164.7 -15.6 -41.1 -17.0 28 28 L S - 0 0 49 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.516 27.5-158.8 -74.4 138.5 -13.3 -42.6 -19.7 29 29 L I + 0 0 0 44,-2.0 8,-0.5 -2,-0.2 -1,-0.1 0.133 44.5 133.8-105.1 21.1 -12.4 -40.2 -22.5 30 30 L V - 0 0 59 6,-0.1 6,-0.2 43,-0.1 2,-0.1 -0.458 55.1-126.3 -69.0 136.9 -11.5 -42.8 -25.0 31 31 L H > - 0 0 52 4,-3.3 3,-2.2 -2,-0.1 -1,-0.1 -0.483 18.8-107.5 -85.5 162.5 -13.2 -42.0 -28.3 32 32 L S T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.874 119.5 60.5 -54.6 -37.9 -15.4 -44.3 -30.4 33 33 L N T 3 S- 0 0 81 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.407 120.7-107.6 -72.2 0.8 -12.6 -44.7 -32.9 34 34 L G S < S+ 0 0 51 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.051 82.5 117.9 96.0 -24.6 -10.4 -46.1 -30.2 35 35 L N - 0 0 64 -5,-0.1 -4,-3.3 1,-0.0 2,-0.5 -0.296 55.3-143.4 -78.9 160.3 -8.1 -43.1 -29.9 36 36 L T - 0 0 22 -6,-0.2 2,-1.1 -3,-0.1 -6,-0.1 -0.977 5.5-161.0-125.7 112.5 -7.6 -40.9 -26.9 37 37 L Y + 0 0 42 -2,-0.5 2,-0.5 -8,-0.5 59,-0.5 -0.530 33.6 147.8 -93.7 65.2 -7.2 -37.2 -27.6 38 38 L L - 0 0 0 -2,-1.1 18,-2.4 57,-0.1 2,-0.3 -0.909 24.2-175.2-104.6 123.0 -5.6 -36.1 -24.3 39 39 L E E -E 94 0B 3 55,-3.6 55,-2.3 -2,-0.5 2,-0.4 -0.797 20.3-147.7-119.7 159.9 -3.2 -33.3 -24.8 40 40 L W E -EF 93 53B 0 13,-2.2 12,-3.2 -2,-0.3 13,-1.1 -0.983 16.9-172.2-131.3 120.2 -0.7 -31.3 -22.7 41 41 L Y E -EF 92 51B 0 51,-3.0 51,-2.6 -2,-0.4 2,-0.5 -0.854 12.9-149.5-113.5 146.6 -0.0 -27.6 -23.3 42 42 L L E -EF 91 50B 4 8,-3.0 8,-2.0 -2,-0.3 2,-0.6 -0.965 12.7-176.0-116.1 115.4 2.6 -25.3 -21.8 43 43 L Q E -E 90 0B 2 47,-2.8 47,-2.7 -2,-0.5 2,-0.1 -0.947 8.6-165.2-113.6 113.5 1.7 -21.7 -21.4 44 44 L K > - 0 0 47 -2,-0.6 3,-2.0 4,-0.5 2,-0.1 -0.430 43.4 -69.1 -87.4 168.5 4.5 -19.5 -20.1 45 45 L S T 3 S- 0 0 105 1,-0.3 -1,-0.1 43,-0.2 3,-0.1 -0.419 120.5 -4.2 -61.2 121.0 4.1 -15.9 -18.8 46 46 L G T 3 S+ 0 0 80 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.675 112.4 108.6 68.0 19.0 3.3 -13.8 -21.7 47 47 L Q S < S- 0 0 92 -3,-2.0 -1,-0.2 3,-0.0 3,-0.1 -0.795 72.9-104.8-122.3 164.2 3.6 -16.5 -24.4 48 48 L S - 0 0 29 -2,-0.3 -4,-0.5 1,-0.1 281,-0.1 -0.513 53.0 -87.7 -80.1 154.7 1.1 -18.4 -26.5 49 49 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.368 42.1-151.9 -64.4 147.7 0.4 -22.0 -25.4 50 50 L K E -F 42 0B 94 -8,-2.0 -8,-3.0 -3,-0.1 2,-0.4 -0.934 14.9-120.6-121.8 140.2 2.8 -24.6 -26.8 51 51 L L E +F 41 0B 5 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.715 32.2 169.7 -79.5 133.8 1.9 -28.3 -27.4 52 52 L L E + 0 0 4 -12,-3.2 8,-2.7 1,-0.4 2,-0.3 0.803 66.2 4.5-106.4 -53.2 4.0 -30.8 -25.5 53 53 L I E -FG 40 59B 1 -13,-1.1 -13,-2.2 6,-0.3 -1,-0.4 -0.940 61.0-166.6-135.8 147.0 2.2 -34.1 -26.0 54 54 L Y E > + G 0 58B 35 4,-3.3 4,-2.6 -2,-0.3 3,-0.4 -0.911 69.5 23.6-129.9 162.1 -0.8 -35.2 -28.0 55 55 L K T 4 S- 0 0 76 -2,-0.3 2,-2.9 1,-0.2 -1,-0.2 0.937 122.8 -71.9 42.8 58.0 -2.9 -38.4 -27.9 56 56 L V T 4 S+ 0 0 9 -18,-2.4 -1,-0.2 1,-0.2 21,-0.2 -0.172 129.5 22.5 61.4 -42.3 -1.9 -39.2 -24.3 57 57 L S T 4 S+ 0 0 77 -2,-2.9 2,-0.8 -3,-0.4 -1,-0.2 0.228 87.0 113.3-136.0 7.2 1.8 -40.2 -24.9 58 58 L N E < -G 54 0B 69 -4,-2.6 -4,-3.3 10,-0.1 2,-0.5 -0.800 55.4-146.8 -93.8 110.5 2.9 -38.7 -28.2 59 59 L R E -G 53 0B 109 -2,-0.8 -6,-0.3 -6,-0.3 3,-0.1 -0.674 20.9-126.4 -74.7 123.6 5.5 -36.1 -27.7 60 60 L F > - 0 0 34 -8,-2.7 3,-1.6 -2,-0.5 -1,-0.1 -0.242 40.4 -76.8 -65.5 159.8 5.1 -33.3 -30.3 61 61 L S T 3 S+ 0 0 100 1,-0.2 -1,-0.2 -8,-0.0 -10,-0.1 -0.270 117.0 19.2 -60.3 138.4 8.1 -32.4 -32.4 62 62 L G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.127 88.2 126.9 91.6 -22.9 10.7 -30.2 -30.6 63 63 L V < - 0 0 11 -3,-1.6 -1,-0.3 -11,-0.2 -11,-0.0 -0.557 66.6-110.7 -71.1 125.1 9.6 -31.1 -27.1 64 64 L P > - 0 0 47 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.091 19.5-117.5 -54.1 157.8 12.5 -32.4 -25.0 65 65 L D T 3 S+ 0 0 135 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.443 106.2 76.5 -78.4 0.5 12.6 -36.1 -24.0 66 66 L R T 3 S+ 0 0 48 16,-0.1 15,-3.8 14,-0.1 2,-0.6 0.560 79.2 85.2 -84.6 -10.1 12.4 -35.2 -20.3 67 67 L F E < +C 80 0A 6 -3,-1.3 2,-0.4 13,-0.2 13,-0.2 -0.844 62.3 179.3 -92.7 121.4 8.7 -34.5 -20.8 68 68 L S E -C 79 0A 35 11,-1.8 11,-2.3 -2,-0.6 2,-0.3 -0.952 13.8-165.6-128.8 138.2 6.6 -37.7 -20.5 69 69 L G E +C 78 0A 14 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.911 18.3 158.5-117.2 148.4 2.9 -38.3 -20.7 70 70 L S E +C 77 0A 62 7,-1.9 7,-2.9 -2,-0.3 2,-0.2 -0.953 15.7 80.0-156.8 175.4 0.9 -41.5 -19.6 71 71 L G E -C 76 0A 35 5,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.545 42.4-135.3 115.6-179.5 -2.4 -43.1 -18.6 72 72 L S E > +C 75 0A 93 3,-1.5 2,-1.4 -2,-0.2 3,-1.1 -0.906 65.0 1.1-174.1 145.1 -5.4 -44.4 -20.3 73 73 L G T 3 S- 0 0 15 -2,-0.3 -44,-2.0 1,-0.2 -43,-0.1 -0.554 130.2 -5.9 79.9 -89.5 -9.1 -44.1 -19.8 74 74 L T T 3 S+ 0 0 48 -2,-1.4 -49,-3.0 -46,-0.2 2,-0.5 0.578 123.3 55.1-118.3 -21.1 -9.7 -42.0 -16.7 75 75 L D E < +BC 24 72A 66 -3,-1.1 -3,-1.5 -51,-0.3 2,-0.3 -0.972 59.2 170.1-123.0 129.5 -6.3 -41.2 -15.2 76 76 L F E -BC 23 71A 1 -53,-3.6 -53,-2.0 -2,-0.5 2,-0.3 -0.882 13.0-154.7-131.4 164.0 -3.4 -39.6 -17.0 77 77 L T E -BC 22 70A 39 -7,-2.9 -7,-1.9 -2,-0.3 2,-0.4 -0.985 12.7-161.9-149.6 132.8 -0.0 -38.1 -16.1 78 78 L L E -BC 21 69A 0 -57,-3.0 -57,-2.4 -2,-0.3 2,-0.4 -0.860 22.2-171.3-101.0 148.9 2.6 -35.6 -17.4 79 79 L K E -BC 20 68A 60 -11,-2.3 -11,-1.8 -2,-0.4 2,-1.1 -0.875 20.1-152.2-151.3 107.0 5.9 -36.1 -15.8 80 80 L I E > -BC 19 67A 0 -61,-0.8 -61,-2.2 -2,-0.4 2,-1.8 -0.709 13.4-158.3 -84.5 101.5 8.9 -33.8 -16.2 81 81 L S E 3 S+B 18 0A 30 -15,-3.8 -63,-0.2 -2,-1.1 -1,-0.1 -0.531 81.8 6.2 -81.8 66.3 11.7 -36.2 -15.7 82 82 L R T 3 S- 0 0 174 -2,-1.8 -1,-0.3 -65,-0.5 -64,-0.2 0.629 85.7-135.8 119.5 73.7 14.2 -33.5 -14.7 83 83 L V < - 0 0 3 -66,-3.6 -67,-2.8 -3,-0.5 2,-0.3 -0.199 22.1-167.0 -53.3 138.3 12.7 -30.0 -14.3 84 84 L E >> - 0 0 81 -69,-0.2 3,-2.8 -68,-0.1 4,-0.5 -0.896 35.8-107.2-128.4 153.7 14.7 -27.1 -15.8 85 85 L A G >4 S+ 0 0 46 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.854 117.4 62.1 -47.2 -36.4 14.4 -23.3 -15.3 86 86 L E G 34 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.416 95.0 61.4 -73.3 1.5 12.9 -23.1 -18.8 87 87 L D G <4 + 0 0 5 -3,-2.8 -1,-0.3 2,-0.1 22,-0.2 0.555 68.9 118.3-104.1 -14.2 9.9 -25.2 -17.9 88 88 L L << + 0 0 47 -3,-1.3 2,-0.3 -4,-0.5 -43,-0.2 -0.376 48.4 93.2 -57.6 119.4 8.5 -22.9 -15.2 89 89 L G S S- 0 0 12 20,-0.3 20,-2.6 -45,-0.1 2,-0.4 -0.939 82.0 -61.6-179.8-165.8 5.1 -22.0 -16.5 90 90 L V E -EH 43 108B 23 -47,-2.7 -47,-2.8 -2,-0.3 2,-0.4 -0.927 45.8-153.1-107.4 131.2 1.5 -23.0 -16.3 91 91 L Y E -EH 42 107B 0 16,-3.0 16,-1.5 -2,-0.4 2,-0.4 -0.911 11.7-174.5-108.4 132.9 0.6 -26.5 -17.5 92 92 L Y E -E 41 0B 4 -51,-2.6 -51,-3.0 -2,-0.4 2,-0.3 -0.985 14.4-151.5-126.5 136.9 -2.8 -27.5 -18.9 93 93 L a E -E 40 0B 0 -2,-0.4 11,-1.7 -53,-0.2 2,-0.3 -0.719 24.4-173.3 -97.9 158.0 -4.1 -30.9 -19.9 94 94 L F E +EI 39 103B 4 -55,-2.3 -55,-3.6 -2,-0.3 2,-0.3 -0.994 22.4 173.1-153.7 145.4 -6.8 -30.9 -22.6 95 95 L Q E - 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