==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CATALYTIC ANTIBODY 29-MAY-97 1YEH . COMPND 2 MOLECULE: FAB FRAGMENT; . SOURCE 2 FRAGMENT: FAB; . AUTHOR B.GIGANT,M.KNOSSOW . 441 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 39.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 0.9 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 . 51 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.4 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 . 2 0 1 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 PARALLEL BRIDGES PER LADDER . 3 4 5 5 4 8 1 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 2 3 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 0 128 0, 0.0 2,-0.4 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 171.5 7.8 27.0 54.1 2 2 L I - 0 0 12 98,-0.4 2,-0.5 93,-0.1 93,-0.1 -0.691 360.0-143.5 -83.6 132.2 8.3 26.0 57.8 3 3 L V - 0 0 92 -2,-0.4 23,-1.6 99,-0.1 2,-0.6 -0.848 10.1-157.5 -97.8 129.7 5.2 25.0 59.6 4 4 L M E -Ab 25 104A 13 99,-0.5 101,-0.6 -2,-0.5 2,-0.6 -0.942 4.7-162.7-111.3 116.1 5.0 26.1 63.3 5 5 L T E -A 24 0A 87 19,-3.0 19,-2.6 -2,-0.6 2,-0.4 -0.881 4.9-166.6-103.5 121.2 2.7 24.1 65.5 6 6 L Q E -A 23 0A 12 -2,-0.6 17,-0.2 17,-0.2 99,-0.0 -0.866 12.9-137.1-107.8 138.2 1.6 25.6 68.8 7 7 L S E S+A 22 0A 63 15,-2.0 15,-2.8 -2,-0.4 2,-0.1 -0.987 71.1 33.1-144.9 142.7 -0.0 23.7 71.6 8 8 L P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.668 64.1-149.6 -80.9 174.7 -2.2 24.1 73.5 9 9 L L S S+ 0 0 106 1,-0.3 99,-2.5 98,-0.2 2,-0.3 0.830 84.1 0.5 -72.5 -35.0 -4.7 26.3 71.5 10 10 L T E -e 108 0B 73 97,-0.3 2,-0.4 80,-0.0 -1,-0.3 -0.981 65.1-163.6-151.1 148.6 -5.9 27.9 74.8 11 11 L L E -e 109 0B 24 97,-2.4 99,-3.4 -2,-0.3 2,-0.6 -0.996 9.8-151.1-138.7 136.2 -4.9 27.5 78.4 12 12 L S E +e 110 0B 53 -2,-0.4 2,-0.4 97,-0.2 99,-0.2 -0.962 26.2 174.1-107.7 114.7 -6.9 28.7 81.5 13 13 L V E -e 111 0B 16 97,-2.5 99,-2.1 -2,-0.6 2,-0.2 -0.962 28.7-126.3-125.3 142.7 -4.5 29.5 84.3 14 14 L T E > -e 112 0B 58 -2,-0.4 3,-2.2 97,-0.2 69,-0.3 -0.597 43.9 -91.5 -83.6 146.9 -5.2 31.0 87.7 15 15 L I T 3 S+ 0 0 92 97,-0.5 69,-0.2 1,-0.3 -1,-0.1 -0.359 115.0 30.9 -57.2 126.5 -3.2 34.1 88.7 16 16 L G T 3 S+ 0 0 32 67,-2.1 -1,-0.3 1,-0.5 68,-0.1 0.154 96.6 105.8 109.0 -18.7 -0.0 32.9 90.5 17 17 L Q S < S- 0 0 108 -3,-2.2 66,-2.8 66,-0.2 -1,-0.5 -0.474 72.9-108.3 -92.8 160.9 0.4 29.6 88.7 18 18 L P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.587 31.3-167.0 -84.2 157.2 3.0 28.8 86.1 19 19 L A E - C 0 80A 10 61,-2.7 61,-3.5 -2,-0.2 2,-0.4 -0.992 3.1-168.7-143.0 141.1 2.0 28.4 82.4 20 20 L S E - C 0 79A 55 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -1.000 4.1-160.8-137.7 139.9 4.0 27.0 79.5 21 21 L I E - C 0 78A 2 57,-2.5 57,-2.3 -2,-0.4 2,-0.3 -0.964 11.7-144.3-120.0 136.2 3.4 27.0 75.7 22 22 L S E -AC 7 77A 38 -15,-2.8 -15,-2.0 -2,-0.4 2,-0.4 -0.770 11.9-172.7-104.6 147.5 4.9 24.7 73.2 23 23 L a E -AC 6 76A 0 53,-2.4 53,-2.8 -2,-0.3 2,-0.3 -0.992 5.2-173.6-140.1 121.3 6.0 25.5 69.6 24 24 L K E -AC 5 75A 95 -19,-2.6 -19,-3.0 -2,-0.4 2,-0.3 -0.895 7.7-154.9-115.5 145.0 7.2 22.8 67.2 25 25 L S E -A 4 0A 5 49,-1.9 -21,-0.2 -2,-0.3 4,-0.1 -0.910 23.7-132.0-123.8 152.4 8.6 23.4 63.7 26 26 L S S S+ 0 0 71 -23,-1.6 2,-0.3 -2,-0.3 -22,-0.1 0.629 96.4 33.4 -72.7 -13.3 8.8 21.3 60.5 27 27 L Q S S- 0 0 113 -24,-0.2 71,-0.1 46,-0.1 2,-0.1 -0.963 98.4 -91.0-138.9 154.4 12.6 22.1 60.2 28 27AL S - 0 0 52 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.404 28.2-146.9 -62.9 140.7 15.4 22.7 62.6 29 27BL L + 0 0 0 44,-2.5 8,-0.9 -4,-0.1 2,-0.5 0.313 59.7 123.0 -94.4 10.9 15.6 26.4 63.4 30 27CL L B -K 36 0C 92 6,-0.2 6,-0.2 43,-0.1 2,-0.1 -0.603 55.9-145.2 -73.9 118.2 19.4 26.2 63.7 31 27DL Y > - 0 0 104 4,-3.0 3,-2.3 -2,-0.5 67,-0.1 -0.423 25.5-105.3 -79.8 162.1 20.8 28.7 61.2 32 27EL S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 65,-0.2 -2,-0.1 0.664 121.5 59.6 -63.2 -16.2 24.1 28.0 59.4 33 28 L N T 3 S- 0 0 64 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.326 121.2-108.4 -92.8 6.0 25.8 30.5 61.6 34 29 L G S < S+ 0 0 52 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.475 81.9 120.3 83.7 1.9 24.8 28.5 64.7 35 30 L K - 0 0 68 62,-0.0 -4,-3.0 2,-0.0 2,-0.6 -0.730 56.6-140.1 -96.9 150.0 22.2 30.9 66.0 36 31 L T B -K 30 0C 23 -2,-0.3 2,-1.5 -6,-0.2 -6,-0.2 -0.946 8.3-154.9-113.3 109.9 18.6 29.9 66.4 37 32 L Y + 0 0 21 -8,-0.9 59,-3.0 -2,-0.6 60,-0.6 -0.543 38.1 142.2 -85.7 73.6 16.1 32.6 65.3 38 33 L L E -F 95 0B 0 -2,-1.5 18,-2.2 57,-0.2 2,-0.3 -0.966 24.9-175.3-116.8 128.3 13.0 31.8 67.3 39 34 L N E -F 94 0B 3 55,-2.8 55,-2.2 -2,-0.5 2,-0.4 -0.841 16.3-148.0-121.8 157.1 10.8 34.6 68.7 40 35 L W E -FG 93 53B 0 13,-1.9 12,-3.0 -2,-0.3 13,-1.2 -0.988 17.1-171.8-126.0 133.6 7.8 34.8 71.0 41 36 L L E -FG 92 51B 0 51,-2.8 51,-2.0 -2,-0.4 2,-0.4 -0.858 11.4-152.0-121.1 159.9 5.2 37.6 70.7 42 37 L L E -FG 91 50B 7 8,-2.5 8,-1.8 -2,-0.3 2,-0.6 -1.000 2.5-161.7-133.3 128.8 2.2 38.5 72.8 43 38 L Q E -FG 90 49B 30 47,-2.8 47,-2.1 -2,-0.4 5,-0.1 -0.962 14.4-152.3-115.0 107.5 -0.8 40.3 71.3 44 39 L R > - 0 0 100 -2,-0.6 3,-2.7 4,-0.5 45,-0.2 -0.494 41.6 -77.6 -73.0 148.5 -2.8 41.9 74.1 45 40 L P T 3 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.235 119.0 1.1 -51.9 125.8 -6.6 42.3 73.5 46 41 L G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.637 115.2 106.3 69.3 16.6 -7.0 45.3 71.1 47 42 L Q S < S- 0 0 127 -3,-2.7 -1,-0.2 3,-0.0 3,-0.1 -0.867 75.4-104.1-126.3 158.2 -3.3 45.9 70.9 48 43 L S - 0 0 29 -2,-0.3 -4,-0.5 1,-0.1 -6,-0.1 -0.393 53.3 -89.3 -72.6 154.4 -0.6 45.3 68.3 49 44 L P E -G 43 0B 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.244 42.4-160.4 -64.0 159.5 1.7 42.3 68.9 50 45 L K E -G 42 0B 53 -8,-1.8 -8,-2.5 -3,-0.1 2,-0.4 -0.997 19.6-116.1-141.3 137.6 4.9 42.8 70.9 51 46 L R E +G 41 0B 0 -2,-0.3 -10,-0.3 -10,-0.2 280,-0.2 -0.626 29.7 174.2 -79.0 133.6 8.0 40.7 71.0 52 47 L L E + 0 0 16 -12,-3.0 8,-2.7 -2,-0.4 2,-0.3 0.838 66.0 17.9 -98.1 -53.9 8.7 39.1 74.4 53 48 L I E -GH 40 59B 0 -13,-1.2 -13,-1.9 6,-0.2 -1,-0.3 -0.884 57.7-177.5-127.4 150.6 11.7 36.9 73.5 54 49 L H E > + H 0 58B 10 4,-2.7 4,-2.1 -2,-0.3 3,-0.3 -0.936 69.0 29.1-139.3 161.4 14.3 36.5 70.7 55 50 L L T 4 S- 0 0 21 -2,-0.3 2,-2.6 1,-0.2 -1,-0.2 0.915 122.7 -76.7 51.0 43.5 17.1 34.1 70.0 56 51 L V T 4 S+ 0 0 12 -18,-2.2 -1,-0.2 1,-0.2 21,-0.1 -0.220 126.1 21.6 69.5 -48.5 15.2 31.5 71.9 57 52 L S T 4 S+ 0 0 59 -2,-2.6 2,-0.7 -3,-0.3 12,-0.3 0.397 88.3 110.7-131.4 0.7 15.9 32.7 75.4 58 53 L K E < -H 54 0B 112 -4,-2.1 -4,-2.7 -3,-0.1 2,-0.1 -0.737 58.6-140.1 -89.0 117.9 16.9 36.3 75.3 59 54 L L E -H 53 0B 53 -2,-0.7 -6,-0.2 -6,-0.2 2,-0.2 -0.387 16.8-120.1 -72.0 143.9 14.3 38.6 76.8 60 55 L D > - 0 0 6 -8,-2.7 3,-1.8 1,-0.1 -1,-0.1 -0.556 44.9 -81.1 -81.7 154.9 13.5 41.9 75.2 61 56 L S T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 268,-0.0 -0.211 117.0 20.1 -54.5 141.4 14.1 45.1 77.2 62 57 L G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.539 91.6 126.5 76.4 3.5 11.2 45.9 79.6 63 58 L V < - 0 0 25 -3,-1.8 -1,-0.3 -11,-0.1 2,-0.2 -0.830 66.0-114.4 -95.2 132.7 9.9 42.3 79.5 64 59 L P > - 0 0 68 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 -0.479 13.9-131.3 -66.9 135.6 9.5 40.7 83.0 65 60 L D T 3 S+ 0 0 138 1,-0.3 16,-0.1 -2,-0.2 -2,-0.0 0.235 96.0 89.9 -73.4 14.1 11.8 37.8 83.7 66 61 L R T 3 S+ 0 0 23 14,-0.1 15,-2.9 16,-0.1 2,-0.5 0.650 80.9 76.8 -73.0 -23.8 8.7 35.9 85.0 67 62 L I E < +D 80 0A 8 -3,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.801 66.8 177.5 -90.2 131.8 8.8 35.0 81.3 68 63 L T E -D 79 0A 69 11,-3.0 11,-3.1 -2,-0.5 2,-0.3 -0.958 11.6-161.0-135.4 146.6 11.4 32.4 80.1 69 64 L G E +D 78 0A 6 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.953 18.8 154.6-128.6 149.5 12.1 30.8 76.8 70 65 L S E +D 77 0A 48 7,-2.2 7,-2.9 -2,-0.3 2,-0.2 -0.977 14.5 89.1-162.4 171.6 13.9 27.6 75.9 71 66 L G E -D 76 0A 40 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.721 37.3-143.5 126.6-178.0 14.4 24.8 73.4 72 67 L S E > +D 75 0A 84 3,-1.8 3,-1.8 -2,-0.2 2,-0.9 -0.943 63.0 18.0-174.2 166.0 16.4 24.0 70.3 73 68 L G T 3 S- 0 0 24 -2,-0.3 -44,-2.5 1,-0.3 -43,-0.1 -0.462 129.9 -23.2 66.4-101.6 16.1 22.3 67.0 74 69 L T T 3 S+ 0 0 35 -2,-0.9 -49,-1.9 -46,-0.2 2,-0.5 0.446 121.9 74.7-123.7 -5.5 12.4 21.9 66.4 75 70 L D E < +CD 24 72A 79 -3,-1.8 -3,-1.8 -51,-0.2 2,-0.3 -0.951 52.7 169.8-119.4 126.0 10.9 22.1 69.9 76 71 L F E -CD 23 71A 0 -53,-2.8 -53,-2.4 -2,-0.5 2,-0.4 -0.925 12.2-162.1-132.9 153.2 10.6 25.3 71.9 77 72 L T E -CD 22 70A 37 -7,-2.9 -7,-2.2 -2,-0.3 2,-0.5 -1.000 8.5-159.0-140.5 138.4 8.8 26.3 75.1 78 73 L L E -CD 21 69A 1 -57,-2.3 -57,-2.5 -2,-0.4 2,-0.4 -0.955 18.8-166.8-111.8 131.6 7.8 29.6 76.6 79 74 L K E -CD 20 68A 92 -11,-3.1 -11,-3.0 -2,-0.5 2,-0.6 -0.986 16.7-162.5-126.9 133.1 7.2 29.5 80.4 80 75 L I E -CD 19 67A 3 -61,-3.5 -61,-2.7 -2,-0.4 3,-0.3 -0.984 10.7-162.1-109.9 110.2 5.5 32.1 82.6 81 76 L S S S+ 0 0 70 -15,-2.9 2,-0.3 -2,-0.6 -1,-0.1 0.852 80.0 12.1 -62.9 -38.4 6.6 31.2 86.1 82 77 L R S S- 0 0 118 -16,-0.2 -1,-0.3 -64,-0.1 2,-0.2 -0.898 84.3-140.9-145.6 105.0 3.9 33.1 87.9 83 78 L V - 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