==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CATALYTIC ANTIBODY 20-OCT-97 1AXS . COMPND 2 MOLECULE: OXY-COPE CATALYTIC ANTIBODY; . SOURCE 2 FRAGMENT: CHAIN L, A, 108 - 211, CHAIN H, B, 114 - 214; . AUTHOR E.C.MUNDORFF,H.D.ULRICH,R.C.STEVENS . 864 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 335 38.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 103 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 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 RESIDUES PER ALPHA HELIX . 5 0 1 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 . 11 14 10 2 6 15 4 1 3 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 2 4 7 0 4 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 E 0 0 117 0, 0.0 2,-0.1 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 177.7 25.3 -0.2 55.1 2 2 L L - 0 0 4 93,-0.2 2,-0.4 92,-0.1 88,-0.1 -0.247 360.0-146.3 -53.4 119.1 22.7 1.8 53.3 3 3 L V - 0 0 82 -2,-0.1 23,-0.9 94,-0.1 2,-0.6 -0.751 8.4-160.4 -94.8 133.5 22.4 5.3 54.9 4 4 L L E -Ab 25 99A 7 94,-0.6 96,-0.7 -2,-0.4 2,-0.5 -0.929 12.1-158.1-114.9 105.2 19.0 7.0 55.0 5 5 L T E -A 24 0A 75 19,-3.6 19,-4.0 -2,-0.6 2,-0.5 -0.722 10.5-175.8 -91.3 128.7 19.5 10.8 55.5 6 6 L Q - 0 0 12 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.955 16.3-152.4-125.3 109.8 16.6 12.9 56.9 7 7 L S + 0 0 81 -2,-0.5 15,-0.4 15,-0.2 2,-0.2 -0.997 68.3 32.0-136.7 139.3 17.1 16.7 57.1 8 8 L P - 0 0 61 0, 0.0 14,-0.1 0, 0.0 3,-0.1 0.617 66.6-156.4 -74.4 178.6 16.1 18.7 58.8 9 9 L S S S+ 0 0 80 1,-0.3 94,-4.5 -2,-0.2 2,-0.4 0.710 85.7 39.0 -89.3 -25.5 15.7 16.8 62.1 10 10 L S E S-e 103 0B 39 92,-0.3 2,-0.4 94,-0.1 -1,-0.3 -0.995 71.6-173.9-129.5 124.0 13.1 19.3 63.3 11 11 L M E -e 104 0B 50 92,-2.9 94,-2.9 -2,-0.4 2,-0.4 -0.935 9.0-153.2-118.6 142.0 10.5 20.8 61.0 12 12 L Y E +e 105 0B 128 -2,-0.4 2,-0.3 92,-0.2 94,-0.2 -0.952 25.2 145.9-122.2 137.4 8.1 23.5 62.0 13 13 L A E -e 106 0B 5 92,-1.4 94,-3.9 -2,-0.4 2,-0.3 -0.909 38.2-117.1-151.8 171.2 4.6 24.2 60.6 14 14 L S > - 0 0 30 -2,-0.3 3,-2.7 92,-0.2 64,-0.3 -0.899 45.5 -80.1-119.1 152.2 1.3 25.5 62.0 15 15 L L T 3 S+ 0 0 76 -2,-0.3 64,-0.2 1,-0.3 3,-0.1 -0.147 119.8 25.3 -48.4 136.7 -2.0 23.7 62.2 16 16 L G T 3 S+ 0 0 44 62,-2.1 -1,-0.3 1,-0.3 63,-0.1 0.086 99.0 118.3 93.2 -22.4 -3.8 23.8 58.9 17 17 L E < - 0 0 97 -3,-2.7 61,-3.0 61,-0.3 2,-0.5 -0.394 66.9-119.7 -80.0 154.4 -0.5 24.2 57.0 18 18 L R + 0 0 162 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.801 36.5 176.7 -93.7 129.8 0.9 21.8 54.5 19 19 L V E - C 0 75A 10 56,-2.1 56,-3.2 -2,-0.5 2,-0.4 -0.951 11.6-168.2-132.8 152.7 4.3 20.3 55.4 20 20 L T E - C 0 74A 56 -2,-0.3 2,-0.3 54,-0.3 54,-0.3 -0.995 3.8-161.1-143.8 134.9 6.5 17.8 53.7 21 21 L I E - C 0 73A 10 52,-3.2 52,-2.8 -2,-0.4 2,-0.3 -0.811 12.5-138.7-114.3 158.3 9.6 15.9 55.0 22 22 L T E - C 0 72A 43 -15,-0.4 2,-0.4 -2,-0.3 50,-0.2 -0.814 11.5-161.5-121.4 160.1 12.3 14.1 53.0 23 23 L a E - C 0 71A 0 48,-2.5 48,-2.2 -2,-0.3 2,-0.7 -0.972 12.6-160.4-138.2 114.9 14.4 11.0 53.2 24 24 L K E -AC 5 70A 91 -19,-4.0 -19,-3.6 -2,-0.4 46,-0.2 -0.883 8.8-157.9-104.3 112.1 17.6 10.8 51.1 25 25 L A E -A 4 0A 8 44,-2.5 -21,-0.2 -2,-0.7 3,-0.1 -0.407 22.0-129.2 -83.1 162.2 18.9 7.3 50.5 26 26 L S S S+ 0 0 58 -23,-0.9 2,-0.2 1,-0.2 -22,-0.1 0.313 89.7 7.2 -93.9 8.5 22.6 6.6 49.6 27 27 L Q S S- 0 0 81 -24,-0.2 -1,-0.2 41,-0.2 41,-0.0 -0.845 101.9 -64.0 178.0 146.3 21.5 4.5 46.5 28 28 L D - 0 0 83 -2,-0.2 41,-0.2 1,-0.2 -2,-0.0 -0.086 43.1-177.4 -39.1 120.2 18.5 3.6 44.5 29 29 L I > - 0 0 0 39,-1.9 3,-1.5 -4,-0.0 62,-0.2 0.153 40.9-120.3-110.5 15.8 16.3 1.6 46.9 30 30 L N T 3 - 0 0 76 1,-0.3 39,-0.1 38,-0.1 -2,-0.1 0.807 65.4 -57.7 47.7 48.2 13.7 0.9 44.2 31 31 L S T 3 S+ 0 0 23 37,-0.3 2,-1.1 1,-0.2 -1,-0.3 0.704 98.0 138.5 59.7 25.7 10.7 2.6 46.0 32 32 L Y < + 0 0 92 -3,-1.5 59,-1.5 18,-0.2 2,-0.4 -0.566 28.5 127.3 -99.3 68.5 11.2 0.3 48.9 33 33 L L E -F 90 0B 0 -2,-1.1 18,-3.5 57,-0.2 2,-0.3 -0.985 38.6-163.9-130.5 137.0 10.6 2.9 51.7 34 34 L N E -F 89 0B 2 55,-2.2 55,-1.6 -2,-0.4 2,-0.5 -0.854 10.0-146.2-115.0 151.8 8.3 2.9 54.7 35 35 L W E -FG 88 48B 0 13,-2.9 12,-3.2 -2,-0.3 13,-1.3 -0.975 14.8-174.0-122.0 121.4 7.3 5.9 56.8 36 36 L F E -FG 87 46B 7 51,-3.0 51,-2.6 -2,-0.5 2,-0.5 -0.934 11.1-154.2-114.9 135.6 6.6 5.5 60.5 37 37 L Q E -FG 86 45B 6 8,-2.0 8,-0.7 -2,-0.4 2,-0.6 -0.921 10.5-162.7-106.7 130.4 5.2 8.2 62.8 38 38 L Q E -F 85 0B 12 47,-3.8 47,-2.4 -2,-0.5 3,-0.1 -0.925 3.2-155.5-121.0 110.9 6.2 7.9 66.4 39 39 L K > - 0 0 53 -2,-0.6 3,-1.6 4,-0.5 45,-0.1 -0.360 38.4 -87.6 -74.2 155.6 4.2 9.8 69.1 40 40 L P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.410 113.2 8.6 -66.2 142.4 5.9 10.6 72.3 41 41 L G T 3 S+ 0 0 93 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.381 117.3 92.1 72.6 -7.4 5.5 7.9 74.9 42 42 L K S < S- 0 0 136 -3,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.621 80.2 -99.8-113.8 174.5 4.0 5.6 72.3 43 43 L S - 0 0 32 -2,-0.2 -4,-0.5 1,-0.2 281,-0.1 -0.533 48.2 -87.8 -90.6 159.2 5.4 3.0 69.9 44 44 L P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.087 43.0-161.1 -58.4 169.5 6.1 3.7 66.2 45 45 L K E -G 37 0B 91 -8,-0.7 -8,-2.0 -3,-0.1 2,-0.5 -0.983 19.0-113.5-152.8 145.0 3.3 3.2 63.7 46 46 L T E +G 36 0B 6 274,-0.4 -10,-0.2 -2,-0.3 3,-0.1 -0.717 34.7 164.3 -89.9 128.8 3.3 2.7 59.9 47 47 L L E + 0 0 1 -12,-3.2 8,-3.1 -2,-0.5 2,-0.4 0.801 68.5 16.7-104.7 -48.8 1.8 5.4 57.8 48 48 L I E -GH 35 54B 0 -13,-1.3 -13,-2.9 6,-0.2 -1,-0.4 -0.989 63.2-166.6-132.7 137.1 3.0 4.7 54.3 49 49 L Y E > S+ H 0 53B 30 4,-3.2 4,-1.9 -2,-0.4 3,-0.3 -0.910 70.2 15.6-121.4 151.4 4.6 1.5 52.8 50 50 L R T 4 S- 0 0 69 -2,-0.3 2,-2.6 1,-0.2 3,-0.3 0.951 123.4 -69.6 53.9 53.2 6.4 1.0 49.6 51 51 L T T 4 S+ 0 0 3 -18,-3.5 -1,-0.2 1,-0.2 21,-0.1 -0.252 128.4 16.4 69.0 -57.2 7.0 4.8 49.1 52 52 L N T 4 S+ 0 0 84 -2,-2.6 2,-1.1 -3,-0.3 12,-0.4 0.359 86.2 116.3-130.0 3.9 3.4 5.9 48.3 53 53 L R E < -H 49 0B 108 -4,-1.9 -4,-3.2 -3,-0.3 2,-0.2 -0.673 58.5-144.8 -80.9 102.4 1.1 3.1 49.5 54 54 L L E -H 48 0B 57 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.491 17.4-119.0 -69.5 129.2 -0.9 4.7 52.2 55 55 L V > - 0 0 22 -8,-3.1 3,-1.0 -2,-0.2 2,-0.3 -0.170 38.1 -90.0 -63.7 163.6 -1.7 2.3 55.0 56 56 L D T 3 S+ 0 0 108 262,-0.5 -1,-0.1 1,-0.2 262,-0.0 -0.595 108.1 19.4 -83.0 134.8 -5.4 1.6 55.8 57 57 L G T 3 S+ 0 0 86 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.568 93.5 128.2 86.6 10.0 -7.3 3.7 58.3 58 58 L V S < S- 0 0 17 -3,-1.0 -1,-0.3 -11,-0.1 4,-0.2 -0.892 70.5 -92.2-106.4 123.8 -4.6 6.4 57.9 59 59 L P > - 0 0 52 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.141 23.8-133.9 -32.0 131.8 -5.8 10.1 57.2 60 60 L S T 3 S+ 0 0 115 1,-0.3 16,-0.1 15,-0.0 -6,-0.0 0.652 100.0 79.6 -65.9 -17.3 -5.9 11.0 53.5 61 61 L R T 3 S+ 0 0 50 14,-0.1 15,-1.9 16,-0.1 2,-0.4 0.493 83.2 83.6 -69.0 -1.5 -4.1 14.3 54.4 62 62 L F E < +D 75 0A 7 -3,-1.5 2,-0.3 13,-0.2 13,-0.2 -0.852 57.7 164.3-104.3 138.8 -1.1 12.0 54.3 63 63 L S E -D 74 0A 61 11,-1.8 11,-2.6 -2,-0.4 2,-0.3 -0.991 18.7-153.0-153.2 149.1 0.7 11.1 51.1 64 64 L G E +D 73 0A 10 -12,-0.4 2,-0.3 -2,-0.3 9,-0.2 -0.951 18.9 157.3-129.1 151.0 4.0 9.6 50.0 65 65 L S E +D 72 0A 58 7,-2.4 7,-3.6 -2,-0.3 2,-0.3 -0.977 12.6 103.4-159.8 169.6 6.2 9.9 47.0 66 66 L G E -D 71 0A 34 5,-0.3 5,-0.3 -2,-0.3 2,-0.3 -0.821 31.0-147.5 140.4-180.0 9.7 9.6 45.6 67 67 L S E > +D 70 0A 84 3,-2.2 3,-2.6 -2,-0.3 2,-0.5 -0.945 61.9 3.1-175.8 160.6 12.0 7.4 43.5 68 68 L G T 3 S- 0 0 19 -2,-0.3 -39,-1.9 1,-0.3 -37,-0.3 -0.341 132.9 -18.0 56.4-107.3 15.6 6.3 43.2 69 69 L Q T 3 S+ 0 0 83 -2,-0.5 -44,-2.5 -41,-0.2 2,-0.5 0.415 124.7 76.1-111.0 -0.2 17.4 8.0 46.1 70 70 L D E < +CD 24 67A 83 -3,-2.6 -3,-2.2 -46,-0.2 2,-0.3 -0.919 49.6 160.2-124.7 114.3 14.8 10.7 46.9 71 71 L Y E -CD 23 66A 4 -48,-2.2 -48,-2.5 -2,-0.5 2,-0.3 -0.889 13.5-166.8-126.2 155.8 11.5 10.1 48.8 72 72 L S E -CD 22 65A 24 -7,-3.6 -7,-2.4 -2,-0.3 2,-0.4 -0.977 15.4-147.9-144.9 156.1 9.2 12.5 50.6 73 73 L L E -CD 21 64A 2 -52,-2.8 -52,-3.2 -2,-0.3 2,-0.4 -0.993 22.2-170.4-125.3 127.4 6.2 12.5 53.0 74 74 L T E -CD 20 63A 21 -11,-2.6 -11,-1.8 -2,-0.4 2,-0.5 -0.950 16.9-163.6-125.8 143.1 3.6 15.3 52.8 75 75 L I E -CD 19 62A 4 -56,-3.2 -56,-2.1 -2,-0.4 3,-0.3 -0.986 9.7-157.7-123.5 114.2 0.7 16.3 55.0 76 76 L S S S+ 0 0 53 -15,-1.9 2,-0.3 -2,-0.5 -14,-0.1 0.729 85.5 15.0 -64.5 -26.8 -1.7 18.6 53.1 77 77 L S S S- 0 0 50 -16,-0.3 2,-0.6 -58,-0.1 -1,-0.3 -0.771 80.2-139.7-155.1 103.0 -3.1 20.1 56.3 78 78 L L - 0 0 1 -61,-3.0 -62,-2.1 -64,-0.3 -61,-0.3 -0.500 21.9-176.8 -68.6 108.9 -1.3 19.6 59.6 79 79 L E > - 0 0 92 -2,-0.6 3,-1.6 -64,-0.2 4,-0.1 -0.631 42.5-101.7 -99.7 166.2 -3.6 18.9 62.6 80 80 L Y G > S+ 0 0 102 1,-0.3 3,-2.3 -2,-0.2 -1,-0.1 0.808 114.4 71.9 -55.3 -36.1 -2.3 18.5 66.2 81 81 L E G 3 S+ 0 0 62 1,-0.3 -1,-0.3 87,-0.1 -3,-0.0 0.750 86.8 67.3 -55.0 -23.9 -2.6 14.7 66.1 82 82 L D G < + 0 0 3 -3,-1.6 -1,-0.3 -43,-0.0 22,-0.2 0.466 69.0 123.0 -79.7 0.3 0.4 14.7 63.7 83 83 L M < + 0 0 18 -3,-2.3 2,-0.2 -4,-0.1 22,-0.1 -0.427 48.3 70.2 -63.6 132.9 2.9 15.9 66.3 84 84 L G E S- I 0 104B 2 20,-1.0 20,-2.0 -45,-0.1 2,-0.3 -0.852 83.4 -49.2 147.6 177.6 5.7 13.4 66.7 85 85 L I E -FI 38 103B 42 -47,-2.4 -47,-3.8 -2,-0.2 2,-0.5 -0.636 40.4-154.9 -88.2 140.3 8.8 11.9 65.1 86 86 L Y E -FI 37 102B 2 16,-2.8 16,-1.5 -2,-0.3 2,-0.3 -0.949 12.5-176.1-119.4 117.3 8.8 10.5 61.5 87 87 L Y E -F 36 0B 15 -51,-2.6 -51,-3.0 -2,-0.5 2,-0.3 -0.849 11.2-153.1-111.4 146.3 11.3 7.8 60.4 88 88 L a E -F 35 0B 0 -2,-0.3 11,-2.0 -53,-0.2 2,-0.3 -0.835 12.4-164.8-112.4 154.2 11.8 6.3 57.0 89 89 L L E -FJ 34 98B 13 -55,-1.6 -55,-2.2 -2,-0.3 2,-0.5 -0.998 10.9-144.3-141.8 144.0 13.2 2.8 56.5 90 90 L Q E +FJ 33 97B 0 7,-2.3 7,-1.2 -2,-0.3 -57,-0.2 -0.922 16.8 175.3-112.5 128.3 14.6 0.9 53.5 91 91 L Y + 0 0 50 -59,-1.5 -58,-0.1 -2,-0.5 3,-0.1 -0.129 57.2 101.5-117.7 34.1 14.0 -2.7 52.9 92 92 L D S S+ 0 0 42 -60,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.635 92.0 14.6 -90.0 -18.3 15.7 -2.8 49.6 93 93 L E S S- 0 0 68 -3,-0.2 -1,-0.3 2,-0.1 4,-0.2 -0.990 96.3 -69.7-154.9 149.4 18.9 -4.4 51.0 94 94 L F S S+ 0 0 95 -2,-0.3 -92,-0.1 -3,-0.1 2,-0.1 -0.677 108.0 42.9 -89.7 142.1 19.9 -6.1 54.3 95 95 L P S S- 0 0 27 0, 0.0 -93,-0.2 0, 0.0 -3,-0.1 0.536 91.2-130.9 -81.9 147.4 20.2 -5.0 56.9 96 96 L Y - 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