==== 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 1YEF . COMPND 2 MOLECULE: IGG2A FAB FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.GIGANT,M.KNOSSOW . 441 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.9 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 . 47 10.7 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 . 16 3.6 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 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 . 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 0 131 0, 0.0 2,-0.4 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 150.8 7.5 26.9 54.0 2 2 L I - 0 0 15 98,-0.4 2,-0.5 96,-0.2 93,-0.1 -0.622 360.0-141.7 -78.2 128.7 8.0 25.8 57.6 3 3 L V - 0 0 92 -2,-0.4 23,-1.5 99,-0.0 2,-0.5 -0.806 13.0-156.6 -91.6 129.7 4.8 24.8 59.3 4 4 L M E -Ab 25 104A 12 99,-0.5 101,-0.6 -2,-0.5 2,-0.5 -0.953 6.3-163.6-110.9 119.9 4.7 26.0 63.0 5 5 L T E -A 24 0A 84 19,-3.4 19,-2.4 -2,-0.5 2,-0.4 -0.918 3.5-167.7-110.3 122.7 2.4 24.0 65.3 6 6 L Q E -A 23 0A 12 -2,-0.5 17,-0.2 17,-0.2 99,-0.0 -0.880 13.5-134.6-110.9 137.9 1.4 25.4 68.7 7 7 L S E S+A 22 0A 62 15,-1.9 15,-2.8 -2,-0.4 2,-0.1 -0.994 72.2 31.0-142.3 142.8 -0.3 23.5 71.5 8 8 L P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.655 63.3-149.5 -83.5 176.9 -2.5 23.9 73.3 9 9 L L S S+ 0 0 110 1,-0.3 99,-2.7 98,-0.2 2,-0.3 0.840 85.6 4.0 -70.7 -39.4 -5.0 26.1 71.4 10 10 L T E -e 108 0B 76 97,-0.2 2,-0.4 80,-0.1 -1,-0.3 -0.989 64.6-167.4-146.0 145.4 -6.1 27.6 74.7 11 11 L L E -e 109 0B 25 97,-2.3 99,-3.3 -2,-0.3 2,-0.6 -0.996 9.5-153.7-136.7 133.9 -5.0 27.3 78.3 12 12 L S E +e 110 0B 51 -2,-0.4 2,-0.4 97,-0.2 99,-0.2 -0.966 24.0 174.9-107.5 119.0 -6.9 28.6 81.3 13 13 L V E -e 111 0B 16 97,-2.6 99,-2.4 -2,-0.6 2,-0.2 -0.951 28.5-123.5-128.4 146.1 -4.6 29.3 84.2 14 14 L T > - 0 0 69 -2,-0.4 3,-2.5 97,-0.2 69,-0.3 -0.606 44.1 -90.7 -87.0 144.1 -5.2 30.8 87.6 15 15 L I T 3 S+ 0 0 87 97,-0.5 69,-0.2 1,-0.3 -1,-0.1 -0.274 115.9 28.2 -50.0 132.7 -3.3 33.9 88.6 16 16 L G T 3 S+ 0 0 30 67,-3.1 -1,-0.3 1,-0.4 68,-0.1 0.204 97.7 107.8 98.7 -19.7 -0.1 32.7 90.4 17 17 L Q S < S- 0 0 109 -3,-2.5 66,-2.7 65,-0.1 -1,-0.4 -0.532 71.2-109.9 -92.2 158.7 0.2 29.4 88.6 18 18 L P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.539 29.9-165.8 -82.5 157.5 2.8 28.6 85.9 19 19 L A E - C 0 80A 9 61,-2.5 61,-3.2 -2,-0.2 2,-0.4 -0.996 4.2-166.8-143.2 140.3 1.9 28.1 82.2 20 20 L S E - C 0 79A 56 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.987 2.8-162.1-133.3 143.0 3.8 26.6 79.3 21 21 L I E - C 0 78A 2 57,-2.6 57,-2.3 -2,-0.4 2,-0.4 -0.981 12.1-143.8-123.5 135.8 3.2 26.8 75.6 22 22 L S E -AC 7 77A 41 -15,-2.8 -15,-1.9 -2,-0.4 2,-0.4 -0.795 12.9-173.6-105.9 143.6 4.7 24.4 73.1 23 23 L a E -AC 6 76A 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.4 -0.999 3.8-174.9-136.3 127.7 5.8 25.3 69.5 24 24 L K E -AC 5 75A 92 -19,-2.4 -19,-3.4 -2,-0.4 2,-0.3 -0.965 7.6-156.4-123.9 141.4 7.0 22.7 67.0 25 25 L S E -A 4 0A 5 49,-1.8 -21,-0.2 -2,-0.4 4,-0.1 -0.856 22.8-131.9-118.5 155.4 8.4 23.3 63.5 26 26 L S S S+ 0 0 70 -23,-1.5 2,-0.3 -2,-0.3 -22,-0.1 0.603 96.2 36.4 -77.9 -13.4 8.5 21.1 60.4 27 27 L Q S S- 0 0 108 -24,-0.2 71,-0.1 46,-0.1 -2,-0.0 -0.962 100.2 -93.8-134.5 150.7 12.2 21.9 59.8 28 27AL S - 0 0 49 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.405 29.1-144.2 -62.2 145.7 15.0 22.4 62.4 29 27BL L + 0 0 0 44,-2.6 8,-0.7 -4,-0.1 2,-0.7 0.228 59.9 124.3 -98.9 13.3 15.3 26.1 63.1 30 27CL L B -K 36 0C 91 6,-0.2 6,-0.2 43,-0.1 2,-0.1 -0.647 54.7-146.1 -75.7 114.6 19.0 25.9 63.5 31 27DL Y > - 0 0 101 4,-3.0 3,-2.3 -2,-0.7 67,-0.1 -0.372 25.8-105.0 -77.7 162.6 20.4 28.4 61.0 32 27EL S T 3 S+ 0 0 118 1,-0.3 -1,-0.1 65,-0.2 -2,-0.1 0.669 120.9 61.7 -65.0 -16.0 23.7 27.8 59.2 33 28 L N T 3 S- 0 0 64 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.350 120.8-109.0 -89.3 6.4 25.5 30.3 61.4 34 29 L G S < S+ 0 0 51 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.388 82.9 118.0 85.0 -5.0 24.5 28.1 64.4 35 30 L K - 0 0 74 -5,-0.1 -4,-3.0 62,-0.0 2,-0.6 -0.646 58.1-138.8 -94.9 154.1 21.9 30.5 65.8 36 31 L T B -K 30 0C 21 -2,-0.2 2,-1.7 -6,-0.2 -6,-0.2 -0.942 6.7-156.0-117.8 107.7 18.2 29.6 66.1 37 32 L Y + 0 0 15 -8,-0.7 59,-3.1 -2,-0.6 2,-0.5 -0.489 38.1 144.1 -83.9 66.1 15.9 32.5 65.1 38 33 L L E -F 95 0B 0 -2,-1.7 18,-2.5 57,-0.2 2,-0.3 -0.950 24.6-175.6-108.8 124.7 12.8 31.5 67.1 39 34 L N E -F 94 0B 3 55,-2.7 55,-2.1 -2,-0.5 2,-0.4 -0.830 16.1-149.0-118.5 157.1 10.7 34.3 68.5 40 35 L W E -FG 93 53B 0 13,-1.9 12,-3.1 -2,-0.3 13,-1.5 -0.994 16.2-173.0-127.6 132.9 7.6 34.5 70.8 41 36 L L E -FG 92 51B 0 51,-3.0 51,-2.5 -2,-0.4 2,-0.4 -0.888 12.6-150.8-123.3 156.5 5.0 37.3 70.6 42 37 L L E -FG 91 50B 4 8,-2.5 8,-1.8 -2,-0.3 2,-0.6 -0.983 3.2-163.5-125.8 133.8 2.0 38.3 72.7 43 38 L Q E -FG 90 49B 27 47,-2.6 47,-2.1 -2,-0.4 3,-0.1 -0.950 14.7-155.5-118.8 104.5 -1.0 40.0 71.2 44 39 L R > - 0 0 102 -2,-0.6 3,-2.7 4,-0.5 45,-0.2 -0.523 41.7 -74.1 -76.0 150.0 -3.0 41.5 74.0 45 40 L P T 3 S+ 0 0 60 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.150 119.1 0.4 -47.5 125.4 -6.7 42.1 73.4 46 41 L G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.628 114.4 104.8 68.5 15.6 -7.1 45.1 71.1 47 42 L Q S < S- 0 0 128 -3,-2.7 -1,-0.2 1,-0.0 3,-0.1 -0.772 75.9-103.0-122.5 164.4 -3.4 45.6 70.9 48 43 L S - 0 0 25 -2,-0.3 -4,-0.5 1,-0.1 -6,-0.1 -0.513 53.3 -88.3 -79.3 157.7 -0.8 45.0 68.2 49 44 L P E -G 43 0B 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.222 44.3-159.8 -63.1 159.0 1.5 42.0 68.7 50 45 L K E -G 42 0B 49 -8,-1.8 -8,-2.5 -3,-0.1 2,-0.3 -0.998 19.0-115.7-143.6 137.6 4.7 42.5 70.8 51 46 L R E +G 41 0B 0 -2,-0.3 -10,-0.3 -10,-0.2 280,-0.2 -0.599 31.0 171.6 -79.2 133.2 7.9 40.5 70.9 52 47 L L E + 0 0 12 -12,-3.1 8,-2.7 1,-0.3 2,-0.3 0.755 67.2 17.7-101.3 -46.3 8.6 38.8 74.2 53 48 L I E -GH 40 59B 0 -13,-1.5 -13,-1.9 6,-0.2 -1,-0.3 -0.953 57.3-175.5-135.0 147.0 11.6 36.6 73.3 54 49 L H E > S+ H 0 58B 11 4,-2.8 4,-2.2 -2,-0.3 3,-0.3 -0.898 70.6 27.2-133.3 161.9 14.1 36.3 70.5 55 50 L L T 4 S- 0 0 25 -2,-0.3 2,-2.6 1,-0.3 -1,-0.2 0.896 122.7 -74.8 50.1 46.6 16.8 33.8 69.8 56 51 L V T 4 S+ 0 0 13 -18,-2.5 -1,-0.3 1,-0.2 21,-0.1 -0.203 126.7 20.1 68.9 -47.3 14.9 31.1 71.7 57 52 L S T 4 S+ 0 0 58 -2,-2.6 2,-0.6 -3,-0.3 12,-0.3 0.350 88.6 112.4-136.7 6.7 15.6 32.3 75.2 58 53 L K E < -H 54 0B 107 -4,-2.2 -4,-2.8 10,-0.1 2,-0.2 -0.749 57.8-138.4 -90.9 122.9 16.6 35.9 75.1 59 54 L L E -H 53 0B 55 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.1 -0.477 16.5-121.3 -78.2 142.7 14.1 38.3 76.6 60 55 L D > - 0 0 6 -8,-2.7 3,-1.9 -2,-0.2 -1,-0.1 -0.498 45.7 -80.8 -78.4 155.7 13.4 41.6 74.9 61 56 L S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.1 268,-0.0 -0.252 117.5 20.1 -54.9 141.8 14.0 44.7 76.9 62 57 L G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.523 91.9 126.1 76.9 2.9 11.2 45.5 79.3 63 58 L V < - 0 0 26 -3,-1.9 -1,-0.3 -11,-0.1 2,-0.2 -0.788 66.1-112.3 -95.0 136.4 9.9 42.0 79.3 64 59 L P > - 0 0 66 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 -0.508 13.3-133.4 -68.4 137.9 9.4 40.4 82.8 65 60 L D T 3 S+ 0 0 137 1,-0.3 16,-0.0 -2,-0.2 -2,-0.0 0.252 95.4 89.1 -76.1 14.8 11.8 37.4 83.5 66 61 L R T 3 S+ 0 0 26 14,-0.1 15,-3.0 16,-0.1 2,-0.4 0.683 81.5 75.9 -73.6 -26.2 8.7 35.5 84.8 67 62 L I E < +D 80 0A 7 -3,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.782 67.6 177.6 -88.0 133.6 8.7 34.6 81.1 68 63 L T E -D 79 0A 72 11,-3.3 11,-3.3 -2,-0.4 2,-0.3 -0.969 11.6-160.6-138.2 145.3 11.2 32.1 80.0 69 64 L G E +D 78 0A 5 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.938 18.3 154.1-126.8 151.2 11.9 30.4 76.6 70 65 L S E +D 77 0A 53 7,-2.1 7,-2.6 -2,-0.3 2,-0.2 -0.960 14.5 90.9-160.5 176.7 13.7 27.3 75.7 71 66 L G E -D 76 0A 37 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.616 37.2-142.5 121.9-179.7 14.1 24.5 73.2 72 67 L S E > +D 75 0A 84 3,-1.9 3,-2.2 -2,-0.2 2,-0.7 -0.959 62.8 17.7-171.6 166.2 16.1 23.6 70.0 73 68 L G T 3 S- 0 0 25 -2,-0.3 -44,-2.6 1,-0.3 -46,-0.1 -0.480 131.7 -23.3 67.1-104.7 15.8 21.9 66.7 74 69 L T T 3 S+ 0 0 33 -2,-0.7 -49,-1.8 -46,-0.2 2,-0.5 0.305 122.3 79.5-121.3 2.8 12.1 21.7 66.1 75 70 L D E < +CD 24 72A 79 -3,-2.2 -3,-1.9 -51,-0.2 2,-0.3 -0.969 50.8 166.1-122.4 123.2 10.7 21.9 69.7 76 71 L F E -CD 23 71A 0 -53,-2.9 -53,-2.5 -2,-0.5 2,-0.4 -0.940 13.7-162.4-134.3 155.0 10.4 25.1 71.7 77 72 L T E -CD 22 70A 37 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.5 -0.999 9.7-158.4-143.9 135.6 8.6 26.1 74.9 78 73 L L E -CD 21 69A 1 -57,-2.3 -57,-2.6 -2,-0.4 2,-0.4 -0.944 20.3-168.6-108.3 131.4 7.6 29.4 76.5 79 74 L K E -CD 20 68A 94 -11,-3.3 -11,-3.3 -2,-0.5 2,-0.5 -0.980 15.7-160.3-125.6 137.7 7.1 29.2 80.2 80 75 L I E -CD 19 67A 4 -61,-3.2 -61,-2.5 -2,-0.4 3,-0.2 -0.992 9.0-159.0-114.2 116.7 5.5 31.7 82.5 81 76 L S S S+ 0 0 69 -15,-3.0 2,-0.4 -2,-0.5 -1,-0.1 0.868 80.7 10.3 -64.7 -40.8 6.6 31.0 86.1 82 77 L R S S- 0 0 113 -16,-0.2 -1,-0.3 -64,-0.1 2,-0.2 -0.930 82.6-133.2-144.8 111.5 3.7 32.9 87.8 83 78 L V - 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