==== 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 15-APR-97 1YED . COMPND 2 MOLECULE: IGG1 FAB FRAGMENT (D.2.4); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.GOLINELLI-PIMPANEAU,M.KNOSSOW . 890 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 328 36.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.1 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 . 4 0.4 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 0.4 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 . 141 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 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 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 0 PARALLEL BRIDGES PER LADDER . 10 8 5 11 12 10 2 0 1 3 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 4 8 4 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 45 0, 0.0 97,-0.1 0, 0.0 369,-0.1 0.000 360.0 360.0 360.0 154.7 44.1 40.9 22.8 2 2 L I - 0 0 13 1,-0.1 2,-0.5 24,-0.1 93,-0.1 0.478 360.0-127.2 80.4 133.0 43.5 40.2 26.5 3 3 L V - 0 0 57 381,-0.1 23,-1.0 99,-0.1 2,-0.5 -0.955 16.6-162.1-114.9 121.0 45.3 37.3 28.2 4 4 L M E -A 25 0A 13 99,-0.6 2,-0.5 -2,-0.5 21,-0.2 -0.909 8.8-161.9-102.3 129.3 43.3 34.8 30.2 5 5 L T E -A 24 0A 68 19,-3.1 19,-2.5 -2,-0.5 2,-0.3 -0.951 4.0-162.9-118.5 118.4 45.3 32.6 32.6 6 6 L Q E -A 23 0A 20 -2,-0.5 17,-0.2 17,-0.2 15,-0.0 -0.732 9.2-138.4-101.7 150.2 44.0 29.4 33.9 7 7 L S E +A 22 0A 51 15,-1.5 15,-2.3 -2,-0.3 2,-0.2 -0.959 69.8 35.9-159.0 141.0 45.1 27.3 36.9 8 8 L P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.558 65.3-145.3 -77.3 173.2 45.6 24.6 37.8 9 9 L L S S- 0 0 137 1,-0.3 99,-1.6 -2,-0.2 2,-0.3 0.835 84.7 -10.7 -68.6 -35.8 46.9 23.0 34.6 10 10 L T E -d 108 0B 78 97,-0.3 2,-0.3 2,-0.0 -1,-0.3 -0.939 69.8-162.5-154.8 163.4 45.2 19.7 35.6 11 11 L L E -d 109 0B 27 97,-2.7 99,-2.2 -2,-0.3 2,-0.4 -0.937 11.8-143.6-161.3 136.5 43.4 18.5 38.7 12 12 L S E -d 110 0B 75 -2,-0.3 2,-0.4 97,-0.2 99,-0.2 -0.837 20.4-176.1-100.2 134.6 42.3 15.1 40.2 13 13 L V E -d 111 0B 10 97,-2.7 99,-2.0 -2,-0.4 2,-0.3 -0.971 25.6-130.6-138.6 122.6 39.0 15.0 42.2 14 14 L T E > -d 112 0B 66 -2,-0.4 3,-2.9 97,-0.2 69,-0.3 -0.535 48.3 -95.7 -67.7 122.1 37.6 12.0 44.0 15 15 L I T 3 S+ 0 0 98 97,-1.3 69,-0.2 -2,-0.3 -1,-0.1 -0.154 115.4 31.6 -43.2 122.2 33.9 11.7 42.9 16 16 L G T 3 S+ 0 0 28 67,-1.8 -1,-0.3 1,-0.5 68,-0.1 -0.081 98.7 100.4 115.8 -32.6 31.8 13.6 45.5 17 17 L Q S < S- 0 0 108 -3,-2.9 66,-2.1 65,-0.2 -1,-0.5 -0.356 72.4-112.6 -80.3 162.8 34.5 16.2 46.4 18 18 L P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.400 23.7-159.0 -91.3 174.5 34.5 19.7 45.0 19 19 L A E - B 0 80A 9 61,-2.0 61,-2.4 -2,-0.1 2,-0.4 -0.985 6.2-155.6-151.7 151.6 36.8 21.5 42.6 20 20 L S E - B 0 79A 55 -2,-0.3 2,-0.3 59,-0.2 59,-0.2 -0.883 6.0-167.6-137.4 103.7 37.7 25.2 41.8 21 21 L I E - B 0 78A 0 57,-1.9 57,-2.2 -2,-0.4 2,-0.3 -0.717 15.8-151.2 -87.5 141.8 39.1 26.2 38.4 22 22 L S E -AB 7 77A 21 -15,-2.3 -15,-1.5 -2,-0.3 2,-0.4 -0.886 14.8-173.4-117.1 147.3 40.4 29.8 38.3 23 23 L a E -AB 6 76A 0 53,-2.5 53,-2.7 -2,-0.3 2,-0.3 -0.946 5.3-173.2-142.5 108.6 40.7 32.2 35.4 24 24 L K E -AB 5 75A 70 -19,-2.5 -19,-3.1 -2,-0.4 2,-0.3 -0.837 13.3-146.8-101.1 148.1 42.5 35.5 35.8 25 25 L S E -A 4 0A 12 49,-2.2 -21,-0.2 -2,-0.3 4,-0.1 -0.779 17.0-133.8-116.1 159.7 42.4 38.1 33.1 26 26 L S S S+ 0 0 4 -23,-1.0 360,-2.2 -2,-0.3 2,-0.3 0.598 89.4 20.8 -83.1 -16.7 44.9 40.8 31.8 27 27 L Q S S- 0 0 22 358,-0.2 2,-0.2 -24,-0.2 360,-0.1 -0.861 97.4 -76.3-140.3 175.2 42.4 43.6 31.6 28 27AL S - 0 0 55 -2,-0.3 46,-0.1 358,-0.2 -2,-0.1 -0.512 31.0-156.0 -76.0 146.3 39.0 44.6 33.1 29 27BL L + 0 0 0 44,-1.0 8,-0.8 -2,-0.2 2,-0.5 0.166 52.9 118.5-109.5 17.4 36.1 42.7 31.6 30 27CL L B -F 36 0C 95 6,-0.2 6,-0.2 43,-0.1 2,-0.2 -0.758 51.2-151.7 -88.5 126.3 33.4 45.3 32.4 31 27DL Y > - 0 0 64 4,-3.2 3,-2.7 -2,-0.5 4,-0.1 -0.514 31.6 -99.0 -92.3 163.2 31.6 46.7 29.4 32 27EL S T 3 S+ 0 0 87 1,-0.3 677,-0.6 -2,-0.2 -1,-0.1 0.874 123.3 60.6 -46.7 -45.5 30.0 50.2 29.1 33 28 L N T 3 S- 0 0 39 1,-0.1 -1,-0.3 675,-0.1 3,-0.1 0.372 122.0-108.5 -68.5 8.7 26.6 48.6 29.7 34 29 L G S < S+ 0 0 24 -3,-2.7 2,-0.3 1,-0.3 -2,-0.2 0.595 78.6 134.9 73.5 11.0 27.9 47.4 33.0 35 30 L K - 0 0 75 -4,-0.1 -4,-3.2 674,-0.1 2,-0.6 -0.722 48.2-149.0 -95.8 144.5 28.0 43.9 31.7 36 31 L T B -F 30 0C 39 -2,-0.3 2,-1.3 -6,-0.2 -6,-0.2 -0.939 9.7-154.5-114.3 107.3 30.9 41.4 32.2 37 32 L Y + 0 0 10 -8,-0.8 59,-3.1 -2,-0.6 60,-0.7 -0.665 38.2 139.7 -87.6 88.6 31.2 39.0 29.3 38 33 L L E -G 95 0D 0 -2,-1.3 18,-2.8 57,-0.2 2,-0.3 -0.990 24.1-179.2-133.3 120.3 32.8 35.9 30.7 39 34 L N E -G 94 0D 7 55,-2.4 55,-2.4 -2,-0.4 2,-0.4 -0.864 18.7-140.6-120.9 158.2 31.8 32.3 29.7 40 35 L W E -GH 93 53D 0 13,-2.3 12,-2.7 -2,-0.3 13,-1.3 -0.977 17.7-168.0-121.8 122.9 32.9 28.8 30.7 41 36 L L E -GH 92 51D 1 51,-3.0 51,-2.2 -2,-0.4 10,-0.2 -0.701 6.4-164.3-105.8 160.4 33.1 25.9 28.2 42 37 L L - 0 0 4 8,-1.9 48,-0.8 -2,-0.2 -1,-0.1 0.860 3.1-173.5-107.0 -79.6 33.5 22.2 28.7 43 38 L Q - 0 0 27 5,-0.4 47,-1.8 46,-0.2 3,-0.1 0.954 17.1-152.9 71.6 91.2 34.6 19.8 25.9 44 39 L R > - 0 0 97 4,-0.5 3,-1.8 45,-0.2 45,-0.2 -0.304 43.8 -61.4 -82.2 172.8 34.4 16.2 27.1 45 40 L P T 3 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.379 124.2 3.6 -59.7 125.5 36.7 13.4 25.6 46 41 L G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -2,-0.1 -3,-0.0 0.651 113.7 97.0 75.9 15.4 35.9 13.1 21.9 47 42 L Q S < S- 0 0 114 -3,-1.8 -1,-0.2 1,-0.0 3,-0.1 -0.832 74.1-100.0-131.5 170.1 33.4 15.9 21.7 48 43 L S - 0 0 28 -2,-0.3 -4,-0.5 1,-0.1 -5,-0.4 -0.418 52.6 -84.0 -84.0 162.1 33.2 19.6 20.7 49 44 L P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.305 45.8-161.1 -64.1 153.8 33.2 22.4 23.3 50 45 L K - 0 0 57 -3,-0.1 -8,-1.9 503,-0.0 2,-0.3 -0.996 20.5-112.2-139.7 141.2 29.9 23.3 24.9 51 46 L R E +H 41 0D 2 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.565 36.5 165.1 -75.8 134.4 28.8 26.4 26.8 52 47 L L E + 0 0 13 -12,-2.7 8,-2.4 1,-0.4 2,-0.4 0.723 65.7 17.3-113.1 -46.5 28.1 25.9 30.5 53 48 L I E -HI 40 59D 0 -13,-1.3 -13,-2.3 6,-0.2 -1,-0.4 -0.997 60.8-174.8-137.2 130.2 28.0 29.4 32.0 54 49 L Y E > + I 0 58D 49 4,-2.5 4,-2.3 -2,-0.4 3,-0.3 -0.852 69.3 25.8-119.6 158.0 27.5 32.8 30.3 55 50 L L T 4 S- 0 0 19 -2,-0.3 2,-2.9 1,-0.2 -1,-0.2 0.920 122.5 -76.0 54.7 47.2 27.6 36.3 31.9 56 51 L V T 4 S+ 0 0 16 -18,-2.8 -1,-0.2 -3,-0.2 21,-0.1 -0.134 128.6 25.5 64.4 -42.8 29.9 35.1 34.7 57 52 L S T 4 S+ 0 0 74 -2,-2.9 2,-0.9 -3,-0.3 12,-0.3 0.333 84.9 115.1-133.9 9.1 27.2 33.3 36.7 58 53 L K E < -I 54 0D 96 -4,-2.3 -4,-2.5 10,-0.1 -2,-0.1 -0.725 53.5-146.4 -92.8 104.8 24.3 32.3 34.3 59 54 L L E -I 53 0D 59 -2,-0.9 -6,-0.2 -6,-0.2 2,-0.1 -0.352 19.2-123.4 -63.4 139.7 23.9 28.5 34.0 60 55 L E > - 0 0 10 -8,-2.4 3,-2.0 1,-0.1 2,-0.3 -0.402 40.7 -76.5 -82.3 163.3 22.8 27.3 30.6 61 56 L S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.436 123.2 20.3 -61.9 116.0 19.7 25.1 30.0 62 57 L G T 3 S+ 0 0 78 1,-0.4 -1,-0.3 -2,-0.3 -10,-0.0 0.072 89.0 129.1 112.5 -24.0 20.7 21.6 31.2 63 58 L V < - 0 0 20 -3,-2.0 -1,-0.4 -11,-0.2 2,-0.1 -0.417 62.3-110.8 -67.6 136.4 23.7 22.6 33.4 64 59 L P > - 0 0 48 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.378 16.8-117.9 -69.3 151.6 23.5 21.0 36.9 65 60 L D T 3 S+ 0 0 157 1,-0.3 -2,-0.1 -2,-0.1 16,-0.0 0.418 107.2 77.2 -67.3 2.3 22.9 23.1 40.1 66 61 L R T 3 S+ 0 0 25 16,-0.1 15,-2.1 14,-0.1 2,-0.3 0.648 77.3 83.1 -87.2 -19.9 26.4 21.9 41.2 67 62 L F E < -C 80 0A 8 -3,-2.0 2,-0.4 13,-0.2 13,-0.2 -0.681 61.3-168.4 -87.8 141.7 28.2 24.3 38.9 68 63 L T E -C 79 0A 67 11,-2.3 11,-2.6 -2,-0.3 2,-0.4 -0.985 8.5-156.0-136.0 123.4 28.8 27.8 40.1 69 64 L G E +C 78 0A 10 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.791 30.1 147.1 -96.8 141.9 30.0 30.8 38.1 70 65 L S E +C 77 0A 58 7,-1.4 7,-1.8 -2,-0.4 2,-0.2 -0.946 1.8 115.3-159.4 178.9 31.7 33.7 39.9 71 66 L G E -C 76 0A 26 5,-0.3 5,-0.3 -2,-0.3 2,-0.2 -0.809 29.2-143.4 139.6 177.9 34.3 36.4 39.8 72 67 L S E > -C 75 0A 53 3,-2.3 3,-1.6 -2,-0.2 2,-1.3 -0.759 66.5 -12.5-179.9 130.0 34.8 40.2 39.9 73 68 L G T 3 S- 0 0 26 1,-0.3 -44,-1.0 -2,-0.2 776,-0.2 -0.593 131.6 -22.3 79.4 -97.1 37.2 42.6 38.3 74 69 L T T 3 S+ 0 0 2 -2,-1.3 -49,-2.2 774,-0.6 2,-0.6 0.406 119.4 86.4-126.2 -6.6 39.9 40.3 36.8 75 70 L D E < -BC 24 72A 38 -3,-1.6 -3,-2.3 774,-0.4 2,-0.3 -0.882 53.4-180.0-103.6 122.8 39.5 37.2 38.9 76 71 L F E -BC 23 71A 2 -53,-2.7 -53,-2.5 -2,-0.6 2,-0.4 -0.920 6.0-165.2-124.9 147.3 37.0 34.6 37.8 77 72 L T E -BC 22 70A 35 -7,-1.8 -7,-1.4 -2,-0.3 2,-0.5 -0.989 13.8-163.6-139.1 133.6 36.0 31.2 39.4 78 73 L L E -BC 21 69A 0 -57,-2.2 -57,-1.9 -2,-0.4 2,-0.4 -0.955 21.2-166.9-111.4 122.1 34.1 28.1 38.3 79 74 L K E -BC 20 68A 102 -11,-2.6 -11,-2.3 -2,-0.5 2,-0.5 -0.933 13.2-165.9-116.9 135.6 33.1 26.0 41.3 80 75 L I E -BC 19 67A 2 -61,-2.4 -61,-2.0 -2,-0.4 3,-0.2 -0.990 3.1-168.6-119.0 118.1 31.8 22.4 41.2 81 76 L S S S+ 0 0 66 -15,-2.1 2,-0.6 -2,-0.5 -1,-0.2 0.971 77.7 18.0 -70.3 -60.0 30.3 21.3 44.6 82 77 L R S S- 0 0 118 -64,-0.1 2,-0.4 -16,-0.1 -1,-0.3 -0.950 80.2-143.3-120.4 109.5 29.9 17.6 44.0 83 78 L V - 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