==== 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 1YEG . 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) . 19752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 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 . 42 9.5 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 . 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 . 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 . 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 3 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 1 L D 0 0 128 0, 0.0 2,-0.3 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 157.0 7.6 27.1 54.3 2 2 L I - 0 0 17 98,-0.4 2,-0.5 96,-0.1 93,-0.1 -0.603 360.0-140.6 -77.1 133.0 8.2 26.0 57.9 3 3 L V - 0 0 90 -2,-0.3 23,-1.5 99,-0.0 2,-0.5 -0.844 12.5-157.1 -95.6 129.4 5.0 24.9 59.7 4 4 L M E -A 25 0A 13 99,-0.5 2,-0.5 -2,-0.5 101,-0.5 -0.953 5.7-162.9-110.6 119.4 4.9 26.1 63.4 5 5 L T E -A 24 0A 82 19,-3.2 19,-2.2 -2,-0.5 2,-0.4 -0.912 4.1-167.2-109.1 120.4 2.6 24.1 65.7 6 6 L Q E -A 23 0A 14 -2,-0.5 17,-0.2 17,-0.2 99,-0.0 -0.824 13.4-133.6-107.9 142.3 1.5 25.6 69.1 7 7 L S E S+A 22 0A 62 15,-1.9 15,-2.7 -2,-0.4 2,-0.1 -0.991 71.7 28.8-148.9 141.6 -0.1 23.7 71.9 8 8 L P - 0 0 56 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.666 63.6-148.5 -81.5 178.7 -2.4 24.0 73.7 9 9 L L S S+ 0 0 115 1,-0.3 99,-2.5 98,-0.1 2,-0.3 0.839 84.7 4.3 -72.5 -40.1 -4.9 26.2 71.8 10 10 L T E -d 108 0B 80 97,-0.2 2,-0.4 80,-0.0 -1,-0.3 -0.991 65.5-167.2-145.6 145.1 -6.1 27.8 75.1 11 11 L L E -d 109 0B 27 97,-2.3 99,-3.2 -2,-0.3 2,-0.5 -0.995 8.6-154.1-136.3 140.6 -5.0 27.5 78.7 12 12 L S E +d 110 0B 53 -2,-0.4 2,-0.4 97,-0.2 99,-0.2 -0.984 23.1 171.7-116.0 121.0 -6.8 28.7 81.8 13 13 L V E -d 111 0B 16 97,-2.3 99,-2.3 -2,-0.5 2,-0.2 -0.971 30.4-122.6-132.1 145.3 -4.6 29.5 84.8 14 14 L T > - 0 0 60 -2,-0.4 3,-2.4 97,-0.2 69,-0.3 -0.576 45.4 -90.6 -85.5 146.1 -5.2 31.1 88.1 15 15 L I T 3 S+ 0 0 90 97,-0.4 69,-0.2 1,-0.3 -1,-0.1 -0.331 115.7 30.4 -52.4 130.1 -3.2 34.2 89.0 16 16 L G T 3 S+ 0 0 29 67,-2.6 -1,-0.3 1,-0.4 68,-0.1 0.201 96.8 105.4 103.6 -19.1 -0.1 33.0 90.8 17 17 L Q S < S- 0 0 110 -3,-2.4 66,-2.4 66,-0.1 -1,-0.4 -0.538 71.9-107.2 -95.3 161.7 0.3 29.7 89.1 18 18 L P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.509 30.9-168.3 -81.9 158.6 2.8 28.7 86.4 19 19 L A E - B 0 80A 10 61,-2.4 61,-3.3 -2,-0.2 2,-0.4 -0.995 3.6-165.9-146.6 141.0 2.0 28.3 82.7 20 20 L S E - B 0 79A 56 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.998 2.7-161.3-135.3 140.4 3.9 26.8 79.8 21 21 L I E - B 0 78A 2 57,-2.8 57,-2.6 -2,-0.4 2,-0.4 -0.943 11.6-145.9-119.2 138.8 3.3 27.0 76.1 22 22 L S E -AB 7 77A 38 -15,-2.7 -15,-1.9 -2,-0.4 2,-0.4 -0.835 12.2-173.9-110.0 147.9 4.8 24.7 73.5 23 23 L a E -AB 6 76A 0 53,-2.7 53,-3.1 -2,-0.4 2,-0.4 -0.998 3.2-174.2-141.0 128.8 5.9 25.4 69.9 24 24 L K E -AB 5 75A 88 -19,-2.2 -19,-3.2 -2,-0.4 2,-0.3 -0.956 8.3-154.4-124.3 143.3 7.2 22.8 67.4 25 25 L S E -A 4 0A 3 49,-1.9 -21,-0.2 -2,-0.4 4,-0.1 -0.858 22.3-131.7-120.3 154.9 8.6 23.4 63.9 26 26 L S S S+ 0 0 70 -23,-1.5 2,-0.3 -2,-0.3 -22,-0.1 0.581 96.3 34.3 -76.7 -13.6 8.7 21.3 60.7 27 27 L Q S S- 0 0 112 -24,-0.2 71,-0.1 46,-0.1 -2,-0.0 -0.969 99.9 -93.2-136.8 150.4 12.5 22.0 60.2 28 27AL S - 0 0 52 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.394 29.8-146.7 -60.7 143.6 15.2 22.5 62.8 29 27BL L + 0 0 0 44,-2.6 8,-0.7 -4,-0.1 2,-0.6 0.234 58.3 123.8 -99.3 11.7 15.5 26.3 63.4 30 27CL L B -J 36 0C 91 6,-0.2 6,-0.2 43,-0.1 2,-0.1 -0.654 57.1-142.2 -73.9 118.2 19.3 26.1 64.0 31 27DL Y > - 0 0 100 4,-3.1 3,-2.5 -2,-0.6 67,-0.1 -0.381 23.1-105.9 -78.2 160.3 20.7 28.6 61.5 32 27EL S T 3 S+ 0 0 115 1,-0.3 -1,-0.1 65,-0.2 -2,-0.1 0.675 121.3 59.8 -63.3 -14.9 23.9 27.9 59.6 33 28 L N T 3 S- 0 0 64 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.353 122.3-107.9 -92.3 7.0 25.7 30.4 61.8 34 29 L G S < S+ 0 0 52 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.481 82.7 119.2 83.4 1.3 24.7 28.3 64.8 35 30 L K - 0 0 70 -5,-0.0 -4,-3.1 62,-0.0 2,-0.6 -0.737 56.9-139.6-100.1 151.5 22.1 30.8 66.1 36 31 L T B -J 30 0C 23 -2,-0.3 2,-1.6 -6,-0.2 -6,-0.2 -0.940 7.3-155.9-114.4 108.2 18.4 29.8 66.5 37 32 L Y + 0 0 19 -8,-0.7 59,-2.7 -2,-0.6 60,-0.5 -0.552 38.0 142.9 -85.5 73.8 16.0 32.6 65.5 38 33 L L E -E 95 0B 0 -2,-1.6 18,-2.5 57,-0.2 2,-0.3 -0.974 24.9-175.4-117.4 124.5 12.9 31.7 67.5 39 34 L N E -E 94 0B 4 55,-2.9 55,-2.2 -2,-0.5 2,-0.4 -0.821 16.3-148.3-118.5 157.3 10.8 34.6 69.0 40 35 L W E -EF 93 53B 0 13,-1.9 12,-3.0 -2,-0.3 13,-1.4 -0.993 17.2-173.4-127.3 132.4 7.7 34.7 71.2 41 36 L L E -EF 92 51B 1 51,-2.8 51,-2.3 -2,-0.4 2,-0.4 -0.888 12.0-152.2-123.0 157.2 5.2 37.5 70.9 42 37 L L E -EF 91 50B 4 8,-2.5 8,-1.7 -2,-0.3 2,-0.6 -0.992 2.8-163.5-130.0 132.1 2.1 38.5 73.0 43 38 L Q E -EF 90 49B 29 47,-2.6 47,-2.2 -2,-0.4 3,-0.1 -0.960 14.0-154.3-118.0 107.0 -0.9 40.3 71.6 44 39 L R > - 0 0 105 -2,-0.6 3,-2.5 4,-0.5 45,-0.2 -0.547 41.1 -75.6 -77.2 149.4 -3.0 41.7 74.4 45 40 L P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.167 119.4 3.6 -48.0 125.5 -6.7 42.3 73.7 46 41 L G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.647 114.8 104.5 70.8 18.1 -7.1 45.4 71.5 47 42 L Q S < S- 0 0 129 -3,-2.5 -1,-0.2 3,-0.0 3,-0.1 -0.791 74.9-104.6-126.3 165.9 -3.4 45.8 71.1 48 43 L S - 0 0 28 -2,-0.3 -4,-0.5 1,-0.1 -6,-0.1 -0.492 53.7 -88.9 -81.5 157.5 -0.7 45.3 68.5 49 44 L P E -F 43 0B 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.272 42.6-159.2 -65.5 159.2 1.7 42.3 69.1 50 45 L K E -F 42 0B 48 -8,-1.7 -8,-2.5 -3,-0.1 2,-0.4 -0.998 18.8-117.4-142.5 136.8 4.8 42.8 71.2 51 46 L R E +F 41 0B 0 -2,-0.3 -10,-0.3 -10,-0.2 280,-0.1 -0.622 30.2 172.4 -79.6 130.7 8.0 40.7 71.3 52 47 L L E + 0 0 14 -12,-3.0 8,-2.7 -2,-0.4 2,-0.3 0.791 67.0 17.5 -98.8 -46.3 8.7 39.1 74.7 53 48 L I E -FG 40 59B 0 -13,-1.4 -13,-1.9 6,-0.2 -1,-0.3 -0.955 58.2-173.8-136.2 147.4 11.7 36.9 73.7 54 49 L H E > S+ G 0 58B 12 4,-2.9 4,-2.2 -2,-0.3 3,-0.3 -0.914 70.0 26.1-134.4 158.4 14.3 36.6 70.9 55 50 L L T 4 S- 0 0 21 -2,-0.3 2,-2.7 1,-0.3 -1,-0.2 0.917 122.5 -74.9 52.8 46.0 17.0 34.0 70.2 56 51 L V T 4 S+ 0 0 12 -18,-2.5 -1,-0.3 1,-0.2 21,-0.1 -0.196 127.0 22.0 68.2 -48.5 15.0 31.4 72.0 57 52 L S T 4 S+ 0 0 58 -2,-2.7 2,-0.6 -3,-0.3 12,-0.3 0.407 88.1 111.0-133.0 5.0 15.8 32.5 75.6 58 53 L K E < -G 54 0B 105 -4,-2.2 -4,-2.9 -3,-0.1 2,-0.2 -0.737 57.8-139.4 -89.8 122.4 16.7 36.2 75.5 59 54 L L E -G 53 0B 55 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.1 -0.470 16.7-122.5 -77.4 142.1 14.2 38.5 77.1 60 55 L D > - 0 0 7 -8,-2.7 3,-1.7 -2,-0.2 -1,-0.1 -0.496 43.6 -81.7 -79.5 158.7 13.5 41.9 75.4 61 56 L S T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.1 268,-0.0 -0.307 116.9 22.8 -60.9 139.2 14.1 45.0 77.4 62 57 L G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.450 92.0 124.9 84.2 0.1 11.2 45.9 79.7 63 58 L V < - 0 0 26 -3,-1.7 -1,-0.3 -11,-0.1 2,-0.1 -0.816 66.1-115.9 -96.7 128.7 9.9 42.3 79.8 64 59 L P > - 0 0 64 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 -0.423 15.2-129.7 -62.7 135.4 9.6 40.7 83.3 65 60 L D T 3 S+ 0 0 138 1,-0.3 -2,-0.0 -2,-0.1 16,-0.0 0.182 96.1 90.4 -74.2 18.2 11.9 37.8 84.0 66 61 L R T 3 S+ 0 0 31 16,-0.1 15,-2.8 14,-0.1 2,-0.5 0.619 78.9 76.7 -76.7 -24.6 8.8 35.8 85.2 67 62 L I E < +C 80 0A 7 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.810 67.5 179.8 -89.5 130.5 8.8 34.9 81.5 68 63 L T E -C 79 0A 71 11,-3.1 11,-3.0 -2,-0.5 2,-0.3 -0.947 10.9-159.8-131.9 148.8 11.3 32.3 80.4 69 64 L G E +C 78 0A 6 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.962 18.6 154.1-129.9 147.4 12.1 30.7 77.1 70 65 L S E +C 77 0A 52 7,-2.1 7,-2.6 -2,-0.3 2,-0.2 -0.971 15.0 88.8-159.2 173.5 13.9 27.5 76.2 71 66 L G E -C 76 0A 39 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.728 37.0-144.0 125.7-177.5 14.3 24.7 73.6 72 67 L S E > +C 75 0A 85 3,-2.0 3,-2.1 -2,-0.2 2,-0.8 -0.945 62.3 17.7-176.1 163.6 16.3 23.9 70.5 73 68 L G T 3 S- 0 0 25 -2,-0.3 -44,-2.6 1,-0.3 -46,-0.1 -0.486 131.0 -23.4 69.6-104.1 16.0 22.2 67.1 74 69 L T T 3 S+ 0 0 32 -2,-0.8 -49,-1.9 -46,-0.2 2,-0.5 0.326 122.1 79.3-123.3 2.5 12.3 21.9 66.6 75 70 L D E < +BC 24 72A 83 -3,-2.1 -3,-2.0 -51,-0.2 2,-0.3 -0.961 50.9 167.3-123.3 122.1 11.0 22.0 70.1 76 71 L F E -BC 23 71A 0 -53,-3.1 -53,-2.7 -2,-0.5 2,-0.4 -0.944 13.1-163.3-133.5 151.3 10.5 25.2 72.1 77 72 L T E -BC 22 70A 37 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.5 -0.997 8.6-157.9-138.5 138.4 8.7 26.2 75.3 78 73 L L E -BC 21 69A 0 -57,-2.6 -57,-2.8 -2,-0.4 2,-0.4 -0.963 19.5-166.6-111.4 129.8 7.7 29.5 76.9 79 74 L K E -BC 20 68A 95 -11,-3.0 -11,-3.1 -2,-0.5 2,-0.6 -0.971 16.3-161.7-124.4 136.1 7.2 29.4 80.6 80 75 L I E -BC 19 67A 3 -61,-3.3 -61,-2.4 -2,-0.4 3,-0.2 -0.983 8.4-161.9-112.2 114.4 5.5 32.0 82.9 81 76 L S S S+ 0 0 71 -15,-2.8 2,-0.3 -2,-0.6 -1,-0.1 0.865 80.2 11.3 -66.2 -37.7 6.7 31.3 86.5 82 77 L R S S- 0 0 117 -16,-0.2 -1,-0.3 -64,-0.1 2,-0.2 -0.922 81.7-134.6-146.7 111.9 3.8 33.2 88.1 83 78 L V - 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