==== 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 1YEC . COMPND 2 MOLECULE: IGG2A FAB FRAGMENT (D2.3); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.GOLINELLI-PIMPANEAU,M.KNOSSOW . 441 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 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 . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.9 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 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 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 0 129 0, 0.0 2,-0.3 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 155.5 7.7 26.7 54.1 2 2 L I - 0 0 13 98,-0.4 2,-0.5 96,-0.1 93,-0.1 -0.572 360.0-142.0 -73.8 132.6 8.3 25.7 57.8 3 3 L V - 0 0 90 -2,-0.3 23,-1.6 99,-0.0 2,-0.5 -0.834 11.8-157.0 -96.5 129.4 5.1 24.7 59.6 4 4 L M E -A 25 0A 13 99,-0.5 2,-0.5 -2,-0.5 101,-0.5 -0.958 6.5-164.9-110.0 118.2 5.0 25.9 63.2 5 5 L T E -A 24 0A 80 19,-3.2 19,-2.6 -2,-0.5 2,-0.4 -0.905 3.8-168.8-108.5 121.3 2.7 24.0 65.5 6 6 L Q E -A 23 0A 12 -2,-0.5 17,-0.2 17,-0.2 99,-0.1 -0.852 13.8-132.9-109.4 144.3 1.7 25.4 68.9 7 7 L S E S+A 22 0A 61 15,-1.7 15,-3.0 -2,-0.4 2,-0.1 -0.985 71.6 30.9-149.0 144.3 -0.1 23.6 71.7 8 8 L P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.693 64.1-148.4 -79.3 176.9 -2.3 23.9 73.6 9 9 L L S S+ 0 0 113 1,-0.3 99,-2.7 98,-0.2 2,-0.3 0.862 84.7 4.3 -72.8 -40.3 -4.8 26.1 71.6 10 10 L T E -d 108 0B 74 97,-0.3 2,-0.4 80,-0.0 -1,-0.3 -0.986 66.0-165.9-144.0 145.3 -6.0 27.7 74.8 11 11 L L E -d 109 0B 26 97,-2.6 99,-3.5 -2,-0.3 2,-0.5 -0.997 8.0-155.1-135.6 137.5 -4.9 27.4 78.4 12 12 L S E +d 110 0B 53 -2,-0.4 2,-0.4 97,-0.2 99,-0.2 -0.979 23.6 173.6-111.1 122.2 -6.8 28.6 81.5 13 13 L V E -d 111 0B 15 97,-2.3 99,-2.0 -2,-0.5 2,-0.2 -0.987 30.0-122.1-133.6 142.4 -4.6 29.4 84.4 14 14 L T E > -d 112 0B 59 -2,-0.4 3,-2.3 97,-0.2 69,-0.3 -0.549 44.8 -92.9 -80.0 145.7 -5.2 30.9 87.8 15 15 L I T 3 S+ 0 0 92 97,-0.5 69,-0.2 1,-0.3 -1,-0.1 -0.330 115.1 30.5 -55.3 131.0 -3.2 34.0 88.8 16 16 L G T 3 S+ 0 0 30 67,-2.6 -1,-0.3 1,-0.4 68,-0.1 0.229 97.8 105.6 102.5 -17.4 -0.1 32.9 90.6 17 17 L Q S < S- 0 0 106 -3,-2.3 66,-2.7 66,-0.1 -1,-0.4 -0.532 72.1-105.6 -95.9 162.2 0.3 29.5 88.8 18 18 L P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.493 31.1-167.8 -82.1 158.8 2.8 28.6 86.1 19 19 L A E - B 0 80A 10 61,-2.5 61,-3.1 -2,-0.1 2,-0.3 -0.980 4.1-170.4-143.3 149.1 2.0 28.2 82.4 20 20 L S E - B 0 79A 55 -2,-0.3 2,-0.4 59,-0.3 59,-0.2 -0.992 4.1-162.3-145.8 140.1 3.9 26.7 79.5 21 21 L I E - B 0 78A 2 57,-2.8 57,-2.4 -2,-0.3 2,-0.3 -0.971 12.2-143.1-123.0 139.3 3.3 26.8 75.8 22 22 L S E -AB 7 77A 37 -15,-3.0 -15,-1.7 -2,-0.4 2,-0.4 -0.764 12.0-172.3-106.1 149.6 4.9 24.5 73.2 23 23 L a E -AB 6 76A 0 53,-2.5 53,-2.8 -2,-0.3 2,-0.4 -0.981 4.8-171.2-142.9 121.6 6.0 25.3 69.7 24 24 L K E -AB 5 75A 92 -19,-2.6 -19,-3.2 -2,-0.4 2,-0.3 -0.927 8.0-153.9-114.1 139.1 7.1 22.6 67.2 25 25 L S E -A 4 0A 4 49,-2.0 -21,-0.2 -2,-0.4 4,-0.1 -0.863 20.3-135.4-116.1 151.6 8.7 23.3 63.8 26 26 L S S S+ 0 0 70 -23,-1.6 2,-0.3 -2,-0.3 -22,-0.1 0.617 94.9 33.0 -77.1 -13.3 8.8 21.1 60.7 27 27 L Q S S- 0 0 114 -24,-0.2 71,-0.1 46,-0.1 2,-0.0 -0.964 100.2 -92.1-136.3 154.1 12.5 21.9 60.2 28 27AL S - 0 0 52 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.396 29.7-145.3 -62.7 144.4 15.3 22.4 62.7 29 27BL L + 0 0 0 44,-2.4 8,-0.7 -4,-0.1 2,-0.6 0.187 58.7 124.9 -99.5 16.2 15.6 26.1 63.4 30 27CL L B -J 36 0C 91 6,-0.2 6,-0.2 43,-0.1 2,-0.1 -0.683 54.8-145.4 -76.6 117.4 19.4 26.0 63.8 31 27DL Y > - 0 0 101 4,-3.1 3,-2.4 -2,-0.6 67,-0.1 -0.421 25.9-104.1 -79.7 160.6 20.7 28.5 61.2 32 27EL S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 65,-0.2 -2,-0.1 0.620 121.4 60.2 -63.5 -11.9 24.0 27.9 59.4 33 28 L N T 3 S- 0 0 63 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.351 120.8-107.7 -94.9 6.0 25.7 30.4 61.7 34 29 L G S < S+ 0 0 54 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.519 82.5 122.3 82.6 4.5 24.8 28.3 64.8 35 30 L K - 0 0 68 62,-0.0 -4,-3.1 2,-0.0 2,-0.6 -0.713 55.8-141.7 -97.5 151.1 22.2 30.7 65.9 36 31 L T B -J 30 0C 25 -2,-0.3 2,-1.5 -6,-0.2 -6,-0.2 -0.939 8.8-157.2-116.7 106.5 18.5 29.7 66.4 37 32 L Y + 0 0 18 -8,-0.7 59,-2.7 -2,-0.6 60,-0.6 -0.609 36.9 141.5 -85.9 78.4 16.1 32.4 65.3 38 33 L L E -E 95 0B 0 -2,-1.5 18,-2.2 57,-0.2 2,-0.3 -0.992 26.0-173.9-123.0 122.6 12.9 31.6 67.3 39 34 L N E -E 94 0B 6 55,-2.9 55,-2.3 -2,-0.5 2,-0.4 -0.794 14.6-149.5-114.7 155.9 10.9 34.5 68.7 40 35 L W E -EF 93 53B 0 13,-1.8 12,-3.0 -2,-0.3 13,-1.6 -0.996 17.3-172.9-126.0 132.5 7.8 34.6 71.0 41 36 L L E -EF 92 51B 1 51,-2.9 51,-2.3 -2,-0.4 2,-0.4 -0.886 12.6-150.4-123.3 158.1 5.2 37.4 70.7 42 37 L L E -EF 91 50B 3 8,-2.5 8,-1.4 -2,-0.3 2,-0.6 -0.996 3.9-165.2-128.7 131.4 2.2 38.4 72.8 43 38 L Q E -EF 90 49B 27 47,-2.8 47,-2.5 -2,-0.4 3,-0.1 -0.960 14.1-155.2-118.7 106.4 -0.8 40.1 71.3 44 39 L R > - 0 0 101 -2,-0.6 3,-2.3 4,-0.5 45,-0.2 -0.507 41.9 -73.4 -76.3 153.5 -3.0 41.5 74.1 45 40 L P T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.209 119.5 1.6 -50.4 126.5 -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 0.678 114.1 103.1 67.3 22.1 -7.1 45.1 71.1 47 42 L Q S < S- 0 0 131 -3,-2.3 -1,-0.2 3,-0.0 3,-0.1 -0.876 75.5-102.3-131.9 161.0 -3.3 45.7 70.8 48 43 L S - 0 0 28 -2,-0.3 -4,-0.5 1,-0.1 -6,-0.1 -0.387 53.9 -88.0 -74.0 160.3 -0.6 45.1 68.2 49 44 L P E -F 43 0B 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.246 42.6-158.8 -66.4 163.3 1.7 42.1 68.8 50 45 L K E -F 42 0B 48 -8,-1.4 -8,-2.5 -3,-0.1 2,-0.3 -0.994 19.3-116.3-144.5 136.2 4.9 42.6 70.9 51 46 L R E +F 41 0B 0 -2,-0.3 -10,-0.3 -10,-0.2 280,-0.1 -0.609 31.3 171.9 -78.4 132.8 8.1 40.6 71.0 52 47 L L E + 0 0 13 -12,-3.0 8,-2.6 -2,-0.3 2,-0.3 0.772 66.2 17.6-101.2 -45.8 8.8 38.9 74.4 53 48 L I E -FG 40 59B 0 -13,-1.6 -13,-1.8 6,-0.2 -1,-0.3 -0.942 57.2-175.2-136.1 148.4 11.7 36.7 73.5 54 49 L H E > + G 0 58B 12 4,-2.6 4,-2.3 -2,-0.3 3,-0.3 -0.931 70.0 26.3-136.4 158.8 14.3 36.4 70.7 55 50 L L T 4 S- 0 0 25 -2,-0.3 2,-2.5 1,-0.3 -1,-0.2 0.907 122.9 -74.2 52.6 46.4 17.1 33.8 70.1 56 51 L V T 4 S+ 0 0 14 -18,-2.2 -1,-0.3 1,-0.2 21,-0.1 -0.203 126.7 19.6 68.6 -45.4 15.1 31.2 71.9 57 52 L S T 4 S+ 0 0 57 -2,-2.5 2,-0.7 -3,-0.3 12,-0.3 0.346 87.3 112.4-138.2 5.6 15.7 32.5 75.5 58 53 L K E < -G 54 0B 110 -4,-2.3 -4,-2.6 10,-0.1 2,-0.2 -0.767 58.6-137.4 -91.2 121.2 16.8 36.1 75.4 59 54 L L E -G 53 0B 56 -2,-0.7 -6,-0.2 -6,-0.2 2,-0.1 -0.445 15.5-123.4 -75.3 137.8 14.3 38.4 76.9 60 55 L D > - 0 0 6 -8,-2.6 3,-1.7 -2,-0.2 -1,-0.1 -0.491 45.6 -81.6 -75.8 156.3 13.5 41.7 75.2 61 56 L S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.1 268,-0.0 -0.253 116.4 21.9 -58.7 141.7 14.1 44.8 77.3 62 57 L G T 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.511 91.3 126.3 80.1 2.5 11.2 45.7 79.6 63 58 L V < - 0 0 23 -3,-1.7 -1,-0.3 -11,-0.1 2,-0.1 -0.833 66.5-114.1 -96.6 128.8 9.9 42.1 79.6 64 59 L P > - 0 0 63 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 -0.394 14.8-131.1 -60.6 137.1 9.4 40.6 83.1 65 60 L D T 3 S+ 0 0 137 1,-0.3 -2,-0.0 -2,-0.1 16,-0.0 0.262 96.3 88.7 -75.7 12.7 11.8 37.7 83.8 66 61 L R T 3 S+ 0 0 26 16,-0.1 15,-2.9 14,-0.1 2,-0.5 0.639 80.2 77.5 -72.9 -24.9 8.8 35.7 85.0 67 62 L I E < +C 80 0A 7 -3,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.797 67.5 178.3 -88.2 133.1 8.7 34.8 81.3 68 63 L T E -C 79 0A 72 11,-3.0 11,-2.9 -2,-0.5 2,-0.4 -0.967 12.2-159.1-137.6 145.7 11.3 32.2 80.2 69 64 L G E +C 78 0A 7 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.966 18.7 154.3-128.6 145.4 12.1 30.6 76.9 70 65 L S E +C 77 0A 49 7,-2.1 7,-2.4 -2,-0.4 2,-0.2 -0.948 16.0 88.5-155.0 176.3 13.9 27.4 76.0 71 66 L G E -C 76 0A 36 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.605 37.1-145.7 120.8 177.7 14.3 24.6 73.5 72 67 L S E > +C 75 0A 84 3,-2.0 3,-2.1 -2,-0.2 2,-0.8 -0.954 62.0 18.7-171.8 166.5 16.4 23.8 70.4 73 68 L G T 3 S- 0 0 25 -2,-0.3 -44,-2.4 1,-0.3 -46,-0.1 -0.498 131.3 -22.9 67.8-105.0 16.1 22.1 67.1 74 69 L T T 3 S+ 0 0 34 -2,-0.8 -49,-2.0 -46,-0.2 2,-0.5 0.332 122.6 79.3-120.8 1.4 12.4 21.7 66.5 75 70 L D E < +BC 24 72A 77 -3,-2.1 -3,-2.0 -51,-0.2 2,-0.3 -0.959 50.2 164.7-124.4 122.1 11.0 21.9 70.0 76 71 L F E -BC 23 71A 0 -53,-2.8 -53,-2.5 -2,-0.5 2,-0.4 -0.931 13.8-163.8-134.4 152.0 10.6 25.1 72.0 77 72 L T E -BC 22 70A 37 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.5 -0.998 9.5-157.4-140.0 138.1 8.7 26.2 75.1 78 73 L L E -BC 21 69A 0 -57,-2.4 -57,-2.8 -2,-0.4 2,-0.4 -0.964 20.7-169.1-111.1 129.9 7.7 29.5 76.6 79 74 L K E -BC 20 68A 92 -11,-2.9 -11,-3.0 -2,-0.5 2,-0.6 -0.979 16.8-160.0-125.3 137.6 7.1 29.3 80.4 80 75 L I E -BC 19 67A 2 -61,-3.1 -61,-2.5 -2,-0.4 3,-0.3 -0.987 9.0-159.9-112.2 116.9 5.5 31.9 82.7 81 76 L S S S+ 0 0 71 -15,-2.9 2,-0.4 -2,-0.6 -1,-0.1 0.885 80.8 12.2 -67.3 -38.1 6.6 31.1 86.2 82 77 L R S S- 0 0 115 -16,-0.2 -1,-0.3 -64,-0.1 2,-0.2 -0.926 82.7-135.2-144.8 109.5 3.8 33.0 87.9 83 78 L V - 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