==== 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 1YEE . COMPND 2 MOLECULE: IGG2A FAB FRAGMENT (D2.5); . 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) . 19491.0 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 . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 40.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 43 9.8 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 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 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 . 4 4 4 4 4 8 2 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 0 5 1 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 0.000 360.0 360.0 360.0 153.6 12.0 -13.5 16.0 2 2 L I - 0 0 7 98,-0.4 2,-0.4 93,-0.1 93,-0.1 -0.623 360.0-138.8 -73.7 127.0 13.6 -13.8 12.5 3 3 L V - 0 0 91 -2,-0.4 23,-1.6 99,-0.0 2,-0.6 -0.756 11.1-155.2 -91.3 132.5 16.7 -11.7 12.3 4 4 L M E -A 25 0A 11 99,-0.4 101,-0.6 -2,-0.4 2,-0.5 -0.948 9.1-162.3-108.0 116.6 17.1 -9.8 9.0 5 5 L T E -A 24 0A 84 19,-3.3 19,-2.9 -2,-0.6 2,-0.3 -0.891 4.3-167.1-106.8 121.8 20.7 -8.9 8.2 6 6 L Q E -A 23 0A 7 -2,-0.5 17,-0.2 17,-0.2 -2,-0.0 -0.833 12.9-132.1-106.3 143.8 21.6 -6.2 5.6 7 7 L S E S+A 22 0A 60 15,-1.9 15,-2.6 -2,-0.3 2,-0.1 -0.991 74.9 28.7-151.1 142.7 25.0 -5.5 4.0 8 8 L P - 0 0 52 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.692 66.5-150.3 -76.5 166.2 26.7 -3.2 3.4 9 9 L L S S+ 0 0 116 1,-0.2 99,-2.2 98,-0.2 2,-0.3 0.784 84.4 7.5 -71.0 -24.1 25.7 -1.0 6.2 10 10 L T E -d 108 0B 79 97,-0.3 2,-0.3 80,-0.0 -1,-0.2 -0.993 67.8-169.4-156.5 145.3 26.6 1.9 4.0 11 11 L L E -d 109 0B 29 97,-2.6 99,-3.2 -2,-0.3 2,-0.6 -0.994 11.8-153.6-143.2 142.3 27.5 2.4 0.3 12 12 L S E +d 110 0B 49 -2,-0.3 2,-0.3 97,-0.2 99,-0.2 -0.969 24.4 174.8-114.9 116.9 28.8 5.3 -1.7 13 13 L V E -d 111 0B 14 97,-2.3 99,-2.9 -2,-0.6 2,-0.3 -0.923 28.0-124.6-124.1 147.6 28.0 5.2 -5.4 14 14 L T > - 0 0 59 -2,-0.3 3,-2.0 97,-0.2 69,-0.3 -0.690 41.2 -94.6 -90.0 146.0 28.6 7.6 -8.2 15 15 L I T 3 S+ 0 0 77 97,-0.5 69,-0.2 -2,-0.3 -1,-0.1 -0.278 111.3 29.4 -56.1 136.0 25.6 8.7 -10.2 16 16 L G T 3 S+ 0 0 19 67,-2.7 -1,-0.3 1,-0.4 68,-0.1 0.253 100.6 104.2 96.5 -11.0 25.1 6.7 -13.4 17 17 L Q S < S- 0 0 103 -3,-2.0 66,-2.9 66,-0.2 -1,-0.4 -0.633 72.3-106.5-103.6 161.8 26.6 3.6 -11.8 18 18 L P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.416 32.8-175.9 -83.7 161.8 24.9 0.4 -10.6 19 19 L A E - B 0 80A 13 61,-2.1 61,-2.8 -2,-0.1 2,-0.3 -0.955 6.6-166.0-151.2 159.1 24.5 -0.7 -6.9 20 20 L S E - B 0 79A 62 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.982 4.4-158.7-155.1 140.9 23.1 -3.6 -5.0 21 21 L I E - B 0 78A 1 57,-2.6 57,-2.7 -2,-0.3 2,-0.3 -0.940 12.7-144.8-120.7 146.9 22.1 -4.3 -1.5 22 22 L S E -AB 7 77A 43 -15,-2.6 -15,-1.9 -2,-0.4 2,-0.4 -0.861 10.8-171.1-116.5 146.7 21.9 -7.7 0.2 23 23 L a E -AB 6 76A 0 53,-2.7 53,-2.3 -2,-0.3 2,-0.4 -0.995 5.1-168.9-137.9 127.6 19.4 -8.9 2.9 24 24 L K E -AB 5 75A 87 -19,-2.9 -19,-3.3 -2,-0.4 2,-0.3 -0.964 7.9-150.7-122.0 132.1 19.8 -12.3 4.7 25 25 L S E -A 4 0A 2 49,-2.1 -21,-0.2 -2,-0.4 4,-0.1 -0.737 19.4-134.3-102.4 152.2 17.2 -13.9 6.9 26 26 L S S S+ 0 0 66 -23,-1.6 2,-0.3 -2,-0.3 -1,-0.1 0.640 94.8 25.3 -71.9 -15.8 17.8 -16.2 9.9 27 27 L Q S S- 0 0 95 -24,-0.2 -1,-0.1 46,-0.1 71,-0.1 -0.988 100.8 -81.6-147.0 155.0 15.1 -18.5 8.5 28 27AL S - 0 0 55 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.203 28.0-152.9 -54.9 141.8 13.6 -19.3 5.1 29 27BL L + 0 0 0 44,-2.6 8,-0.7 -4,-0.1 2,-0.5 0.268 56.0 123.1-100.4 7.4 10.9 -16.8 4.0 30 27CL L B -J 36 0C 94 6,-0.2 6,-0.2 43,-0.1 2,-0.2 -0.596 52.4-150.7 -73.5 119.0 9.2 -19.4 1.9 31 27DL Y > - 0 0 101 4,-3.1 3,-1.8 -2,-0.5 -2,-0.1 -0.520 25.3-108.1 -87.4 160.9 5.6 -19.6 3.1 32 27EL S T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.568 117.6 60.5 -66.1 -9.8 3.4 -22.7 2.8 33 28 L N T 3 S- 0 0 55 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.186 123.3-103.6 -98.2 7.3 1.3 -21.2 0.1 34 29 L G S < S+ 0 0 55 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.539 84.3 119.9 83.0 9.5 4.4 -20.9 -2.1 35 30 L K - 0 0 72 2,-0.0 -4,-3.1 62,-0.0 2,-0.5 -0.771 51.7-149.8-109.3 150.9 4.8 -17.1 -1.5 36 31 L T B -J 30 0C 23 -2,-0.3 2,-1.6 -6,-0.2 -6,-0.2 -0.962 10.3-151.7-120.3 108.2 7.8 -15.3 -0.0 37 32 L Y + 0 0 18 -8,-0.7 59,-2.2 -2,-0.5 60,-0.5 -0.590 40.9 139.2 -87.6 82.6 6.8 -12.2 1.7 38 33 L L E -E 95 0B 0 -2,-1.6 18,-3.0 57,-0.2 2,-0.3 -0.998 25.1-179.1-126.7 125.1 9.9 -10.0 1.5 39 34 L S E -E 94 0B 6 55,-2.0 55,-1.8 -2,-0.4 2,-0.4 -0.848 18.2-141.0-121.4 160.4 9.6 -6.3 0.7 40 35 L W E -EF 93 53B 0 13,-2.1 12,-3.0 -2,-0.3 13,-1.5 -0.982 17.9-171.0-124.1 134.5 12.0 -3.4 0.2 41 36 L L E -EF 92 51B 0 51,-2.8 51,-2.1 -2,-0.4 2,-0.4 -0.861 9.9-155.7-121.1 159.4 11.5 0.2 1.5 42 37 L L E -EF 91 50B 6 8,-2.4 8,-1.4 -2,-0.3 2,-0.5 -0.984 3.3-165.6-132.8 136.7 13.3 3.4 0.9 43 38 L Q E -E 90 0B 21 47,-2.1 47,-2.2 -2,-0.4 3,-0.1 -0.955 12.0-153.9-126.3 108.3 13.2 6.3 3.4 44 39 L R > - 0 0 107 -2,-0.5 3,-1.3 4,-0.5 45,-0.2 -0.569 43.0 -73.3 -79.0 150.8 14.4 9.5 2.0 45 40 L P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.150 120.3 5.2 -44.1 122.6 15.8 12.2 4.4 46 41 L G T 3 S+ 0 0 84 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.848 112.8 102.1 67.6 34.7 13.0 13.7 6.3 47 42 L Q S < S- 0 0 111 -3,-1.3 -1,-0.2 3,-0.0 3,-0.1 -0.923 75.7-100.4-141.5 165.6 10.3 11.5 4.9 48 43 L S - 0 0 38 -2,-0.3 -4,-0.5 1,-0.2 -6,-0.1 -0.513 53.7 -95.0 -79.4 155.3 8.2 8.4 5.9 49 44 L P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.168 41.3-162.5 -64.9 171.0 9.4 5.1 4.5 50 45 L K E -F 42 0B 78 -8,-1.4 -8,-2.4 -3,-0.1 2,-0.1 -0.931 18.4-117.6-158.6 129.5 7.8 3.9 1.2 51 46 L R E +F 41 0B 1 -2,-0.3 -10,-0.3 -10,-0.2 3,-0.1 -0.338 26.7 175.7 -69.4 151.9 7.8 0.5 -0.3 52 47 L L E + 0 0 12 -12,-3.0 8,-2.5 1,-0.4 2,-0.4 0.615 68.8 25.0-121.3 -38.0 9.4 -0.1 -3.6 53 48 L I E -FG 40 59B 1 -13,-1.5 -13,-2.1 6,-0.2 -1,-0.4 -0.989 57.9-175.6-139.8 139.3 9.1 -3.8 -3.9 54 49 L Y E >> + G 0 58B 36 4,-2.8 4,-2.8 -2,-0.4 3,-0.5 -0.888 69.1 25.3-130.0 159.2 6.8 -6.5 -2.6 55 50 L L T 34 S- 0 0 13 -2,-0.3 2,-2.2 1,-0.3 -1,-0.2 0.911 124.5 -70.8 52.9 46.3 6.9 -10.4 -2.9 56 51 L V T 34 S+ 0 0 14 -18,-3.0 -1,-0.3 1,-0.2 21,-0.1 -0.124 128.7 18.5 70.9 -39.9 10.6 -10.3 -3.5 57 52 L S T <4 S+ 0 0 61 -2,-2.2 2,-0.4 -3,-0.5 12,-0.3 0.398 85.7 113.8-145.0 4.8 10.4 -8.8 -7.0 58 53 L K E < -G 54 0B 100 -4,-2.8 -4,-2.8 10,-0.1 2,-0.3 -0.717 55.4-141.3 -86.9 131.9 7.1 -7.1 -7.7 59 54 L L E -G 53 0B 54 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.1 -0.720 12.0-125.3 -92.3 139.9 7.5 -3.3 -8.1 60 55 L D > - 0 0 11 -8,-2.5 3,-1.1 -2,-0.3 2,-0.1 -0.353 37.7 -88.3 -75.3 166.7 5.0 -0.9 -6.7 61 56 L S T 3 S+ 0 0 103 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.460 111.4 31.8 -74.8 152.0 3.3 1.7 -8.9 62 57 L G T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.445 92.1 120.2 81.2 0.3 5.0 5.1 -9.4 63 58 L V < - 0 0 29 -3,-1.1 -1,-0.3 -11,-0.1 2,-0.1 -0.852 65.1-125.9-102.7 128.0 8.4 3.4 -9.0 64 59 L P > - 0 0 61 0, 0.0 3,-1.1 0, 0.0 2,-0.6 -0.458 23.5-119.7 -68.8 144.2 10.9 3.6 -11.9 65 60 L D T 3 S+ 0 0 138 1,-0.3 16,-0.0 -2,-0.1 -2,-0.0 -0.009 90.8 100.4 -81.3 36.7 12.1 0.2 -13.1 66 61 L R T 3 S+ 0 0 52 -2,-0.6 15,-2.7 14,-0.1 2,-0.5 0.555 74.3 78.0 -83.3 -19.0 15.8 0.9 -12.4 67 62 L F E < +C 80 0A 8 -3,-1.1 2,-0.3 13,-0.2 13,-0.2 -0.883 59.2 169.6 -95.5 130.0 15.1 -1.1 -9.2 68 63 L T E -C 79 0A 67 11,-2.5 11,-2.7 -2,-0.5 2,-0.3 -0.980 13.6-158.7-137.2 146.2 14.9 -4.9 -9.4 69 64 L G E +C 78 0A 9 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.928 17.3 157.4-126.6 150.6 14.7 -7.5 -6.6 70 65 L S E +C 77 0A 43 7,-1.9 7,-2.0 -2,-0.3 2,-0.2 -0.908 15.3 97.4-156.2 178.4 15.6 -11.1 -6.5 71 66 L G E -C 76 0A 39 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.655 38.2-138.9 126.9-179.4 16.5 -14.0 -4.2 72 67 L S E > +C 75 0A 85 3,-2.0 3,-2.2 -2,-0.2 2,-1.1 -0.956 62.1 7.2-174.4 158.0 14.9 -16.9 -2.4 73 68 L G T 3 S- 0 0 25 -2,-0.3 -44,-2.6 1,-0.3 -46,-0.1 -0.476 133.7 -18.2 66.5 -95.9 14.8 -18.9 0.8 74 69 L T T 3 S+ 0 0 31 -2,-1.1 -49,-2.1 -46,-0.2 2,-0.5 0.435 120.8 82.6-121.3 -5.8 17.1 -16.7 3.0 75 70 L D E < +BC 24 72A 89 -3,-2.2 -3,-2.0 -51,-0.2 2,-0.3 -0.905 49.1 164.6-115.0 123.0 19.0 -14.7 0.4 76 71 L F E -BC 23 71A 1 -53,-2.3 -53,-2.7 -2,-0.5 2,-0.3 -0.934 13.3-166.7-136.5 153.2 17.8 -11.5 -1.2 77 72 L T E -BC 22 70A 40 -7,-2.0 -7,-1.9 -2,-0.3 2,-0.5 -0.997 12.3-154.2-140.6 141.0 19.2 -8.6 -3.2 78 73 L L E -BC 21 69A 1 -57,-2.7 -57,-2.6 -2,-0.3 2,-0.4 -0.949 22.3-166.1-111.0 132.4 18.0 -5.2 -4.3 79 74 L K E -BC 20 68A 86 -11,-2.7 -11,-2.5 -2,-0.5 2,-0.6 -0.984 14.8-163.3-126.3 133.0 19.7 -3.9 -7.5 80 75 L I E -BC 19 67A 3 -61,-2.8 -61,-2.1 -2,-0.4 3,-0.3 -0.981 7.5-159.6-111.1 114.5 19.7 -0.4 -8.9 81 76 L S S S+ 0 0 78 -15,-2.7 2,-0.3 -2,-0.6 -1,-0.1 0.802 82.5 9.2 -64.0 -32.2 20.8 -0.5 -12.6 82 77 L R S S- 0 0 144 -16,-0.2 -1,-0.3 -64,-0.1 2,-0.1 -0.851 80.1-134.2-154.3 112.6 21.8 3.1 -12.6 83 78 L V - 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