==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 30-JAN-98 1A4J . COMPND 2 MOLECULE: IMMUNOGLOBULIN, DIELS ALDER CATALYTIC ANTIBODY . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.W.SPILLER,F.E.ROMESBURG,P.G.SCHULTZ,R.C.STEVENS . 868 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 330 38.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.4 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 0.5 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 . 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 . 107 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 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 PARALLEL BRIDGES PER LADDER . 8 15 10 3 14 12 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 10 2 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 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 E 0 0 167 0, 0.0 2,-0.4 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 138.5 4.2 -13.2 -13.6 2 2 L L - 0 0 3 98,-0.4 2,-0.5 96,-0.1 93,-0.1 -0.717 360.0-141.0 -88.5 135.2 7.1 -15.5 -13.2 3 3 L V - 0 0 76 -2,-0.4 23,-2.1 99,-0.0 2,-0.6 -0.850 10.6-163.5-103.4 130.3 8.7 -15.8 -9.7 4 4 L M E -A 25 0A 11 -2,-0.5 2,-0.7 99,-0.4 101,-0.5 -0.941 5.9-165.1-112.8 116.8 12.4 -16.0 -9.1 5 5 L T E -A 24 0A 59 19,-3.5 19,-1.5 -2,-0.6 2,-0.7 -0.892 6.0-156.6-107.7 111.0 13.4 -17.2 -5.6 6 6 L Q E -A 23 0A 15 -2,-0.7 17,-0.2 17,-0.2 -2,-0.0 -0.769 9.1-155.2 -87.8 113.6 17.1 -16.7 -4.7 7 7 L T S S+ 0 0 96 -2,-0.7 2,-1.2 15,-0.6 -1,-0.2 0.958 76.3 59.4 -57.0 -65.4 17.9 -19.2 -1.9 8 8 L P - 0 0 29 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.525 60.3-177.3 -73.7 103.8 20.8 -17.7 0.0 9 9 L L S S+ 0 0 126 -2,-1.2 99,-2.5 1,-0.3 2,-0.4 0.926 80.2 11.7 -61.7 -42.3 19.3 -14.5 1.2 10 10 L S E S-d 108 0B 50 97,-0.2 -1,-0.3 -3,-0.2 99,-0.2 -0.997 72.5-161.2-135.7 136.8 22.7 -13.7 2.8 11 11 L L E -d 109 0B 34 97,-3.5 99,-2.8 -2,-0.4 2,-0.3 -0.899 5.7-156.4-126.3 104.5 25.9 -15.6 2.1 12 12 L P E +d 110 0B 53 0, 0.0 2,-0.3 0, 0.0 99,-0.2 -0.593 25.2 170.2 -77.4 135.7 28.8 -15.2 4.6 13 13 L V E -d 111 0B 5 97,-3.1 99,-2.5 -2,-0.3 2,-0.4 -0.984 34.1-125.2-146.5 155.9 32.1 -16.0 3.0 14 14 L S > - 0 0 36 -2,-0.3 3,-1.9 97,-0.2 69,-0.4 -0.828 44.7 -99.7 -99.6 141.4 35.8 -15.8 3.7 15 15 L L T 3 S+ 0 0 91 -2,-0.4 69,-0.2 1,-0.3 3,-0.1 -0.294 110.8 28.1 -57.8 141.9 37.9 -13.9 1.1 16 16 L G T 3 S+ 0 0 44 67,-2.9 66,-0.3 1,-0.3 -1,-0.3 0.204 101.6 109.1 89.8 -18.1 39.6 -16.3 -1.2 17 17 L D S < S- 0 0 76 -3,-1.9 66,-2.1 65,-0.2 -1,-0.3 -0.331 74.7 -98.1 -86.4 171.3 36.9 -18.9 -0.8 18 18 L Q - 0 0 97 64,-0.2 2,-0.4 63,-0.2 63,-0.2 -0.686 31.5-156.9 -93.2 144.5 34.2 -20.0 -3.3 19 19 L A E - B 0 80A 3 61,-2.3 61,-2.7 -2,-0.3 2,-0.4 -0.940 5.7-168.2-121.0 142.6 30.7 -18.6 -3.3 20 20 L S E - B 0 79A 53 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.949 3.9-173.5-135.6 113.6 27.6 -20.3 -4.7 21 21 L I E - B 0 78A 2 57,-2.5 57,-2.7 -2,-0.4 2,-0.3 -0.892 13.7-145.8-108.3 136.0 24.3 -18.4 -5.1 22 22 L S E - B 0 77A 30 -2,-0.4 -15,-0.6 55,-0.2 2,-0.4 -0.776 13.3-172.4-108.5 147.5 21.1 -20.1 -6.2 23 23 L a E -AB 6 76A 0 53,-2.6 53,-3.0 -2,-0.3 2,-0.4 -0.998 2.7-174.3-136.9 127.8 18.1 -19.0 -8.3 24 24 L R E -AB 5 75A 123 -19,-1.5 -19,-3.5 -2,-0.4 2,-0.3 -0.991 12.2-150.4-125.1 130.1 14.9 -20.9 -8.8 25 25 L S E -A 4 0A 6 49,-2.4 -21,-0.2 -2,-0.4 4,-0.1 -0.734 19.5-129.1-102.4 152.2 12.2 -19.8 -11.2 26 26 L S S S+ 0 0 59 -23,-2.1 2,-0.3 -2,-0.3 -1,-0.1 0.887 94.9 18.1 -60.6 -44.0 8.4 -20.4 -11.0 27 27 L Q S S- 0 0 85 -24,-0.1 71,-0.1 46,-0.1 -2,-0.1 -0.809 103.4 -75.8-124.7 167.8 8.3 -21.7 -14.6 28 28 L S - 0 0 49 -2,-0.3 46,-0.2 1,-0.1 45,-0.1 -0.404 32.3-151.7 -62.6 137.4 10.9 -23.0 -17.0 29 29 L L + 0 0 0 44,-2.4 2,-1.0 -4,-0.1 8,-0.7 0.126 58.8 122.1 -97.0 18.1 12.9 -20.0 -18.4 30 30 L V B -J 36 0C 65 6,-0.2 6,-0.2 43,-0.1 5,-0.1 -0.734 59.1-143.4 -83.9 103.7 13.4 -22.0 -21.6 31 31 L H > - 0 0 44 4,-2.3 3,-1.8 -2,-1.0 -2,-0.1 -0.239 20.9-114.9 -63.0 156.2 12.0 -19.8 -24.3 32 32 L S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 65,-0.1 -2,-0.0 0.679 116.7 64.7 -68.1 -15.0 10.3 -21.6 -27.2 33 33 L N T 3 S- 0 0 82 2,-0.2 -1,-0.3 1,-0.1 2,-0.3 0.513 120.7-108.3 -84.0 -4.0 13.0 -20.3 -29.5 34 34 L G S < S+ 0 0 45 -3,-1.8 -3,-0.1 1,-0.4 -1,-0.1 -0.417 82.3 109.2 113.1 -58.5 15.5 -22.4 -27.5 35 35 L N - 0 0 55 -2,-0.3 -4,-2.3 -5,-0.1 2,-0.5 0.033 59.5-138.7 -51.0 160.5 17.5 -19.9 -25.5 36 36 L T B -J 30 0C 22 -6,-0.2 2,-2.0 -3,-0.1 -6,-0.2 -0.906 11.6-154.7-127.2 98.4 17.2 -19.6 -21.7 37 37 L Y + 0 0 8 -8,-0.7 59,-2.3 -2,-0.5 60,-0.6 -0.467 40.9 138.8 -79.8 73.3 17.2 -15.9 -20.8 38 38 L L E +E 95 0B 0 -2,-2.0 18,-3.6 57,-0.2 2,-0.3 -0.979 27.1 179.0-119.7 115.8 18.5 -16.1 -17.2 39 39 L H E -E 94 0B 0 55,-3.1 55,-2.1 -2,-0.5 2,-0.4 -0.773 19.2-138.8-118.2 161.2 21.0 -13.4 -16.3 40 40 L W E -EF 93 53B 0 13,-3.1 12,-3.2 -2,-0.3 13,-1.5 -0.981 17.5-176.7-126.5 134.1 23.0 -12.4 -13.1 41 41 L Y E -EF 92 51B 0 51,-3.6 51,-2.8 -2,-0.4 2,-0.4 -0.886 14.1-151.5-126.0 153.9 23.7 -8.9 -11.8 42 42 L L E -EF 91 50B 14 8,-1.9 8,-1.3 -2,-0.3 2,-0.5 -0.993 11.0-168.8-124.2 133.2 25.7 -7.6 -8.9 43 43 L Q E -E 90 0B 23 47,-2.5 47,-2.6 -2,-0.4 5,-0.1 -0.989 5.5-159.3-124.7 124.1 24.7 -4.3 -7.2 44 44 L K > - 0 0 64 -2,-0.5 3,-3.0 4,-0.4 45,-0.1 -0.770 42.3 -74.3-102.1 149.1 27.1 -2.6 -4.7 45 45 L P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.077 119.5 5.2 -41.8 127.1 26.0 -0.0 -2.2 46 46 L G T 3 S+ 0 0 90 1,-0.3 2,-0.2 -3,-0.1 -3,-0.0 0.312 114.1 103.9 78.5 -8.8 25.2 3.3 -3.8 47 47 L Q S < S- 0 0 85 -3,-3.0 -1,-0.3 1,-0.1 3,-0.1 -0.600 74.3-110.9-104.7 164.5 25.8 1.8 -7.3 48 48 L S - 0 0 5 -2,-0.2 -4,-0.4 1,-0.2 281,-0.1 -0.562 50.3 -87.3 -86.9 155.4 23.6 0.8 -10.1 49 49 L P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 278,-0.3 -0.125 41.9-145.9 -59.2 163.3 23.3 -3.0 -10.8 50 50 L K E -F 42 0B 93 -8,-1.3 -8,-1.9 276,-0.1 2,-0.3 -0.985 13.8-119.8-139.6 126.0 25.9 -4.5 -13.2 51 51 L L E +F 41 0B 7 274,-0.6 -10,-0.2 -2,-0.4 3,-0.1 -0.455 39.2 160.3 -65.5 124.3 25.4 -7.3 -15.7 52 52 L L E + 0 0 12 -12,-3.2 8,-2.7 1,-0.4 2,-0.4 0.811 62.6 17.4-107.5 -57.9 27.7 -10.2 -14.9 53 53 L I E -FG 40 59B 0 -13,-1.5 -13,-3.1 6,-0.2 -1,-0.4 -0.960 62.8-169.2-124.7 137.1 26.3 -13.3 -16.6 54 54 L Y E > + G 0 58B 50 4,-3.2 4,-2.3 -2,-0.4 3,-0.5 -0.913 67.2 13.0-126.2 154.8 23.7 -13.6 -19.4 55 55 L K T 4 S- 0 0 49 -2,-0.3 2,-1.9 1,-0.3 -16,-0.2 0.907 124.9 -65.9 45.8 52.6 21.8 -16.6 -20.9 56 56 L V T 4 S+ 0 0 16 -18,-3.6 -1,-0.3 1,-0.2 21,-0.1 -0.258 129.9 18.2 76.2 -50.8 22.8 -18.8 -18.0 57 57 L S T 4 S+ 0 0 71 -2,-1.9 2,-0.6 -3,-0.5 12,-0.3 0.415 86.4 114.2-135.7 0.3 26.6 -19.0 -18.5 58 58 L N E < -G 54 0B 66 -4,-2.3 -4,-3.2 10,-0.1 2,-0.5 -0.684 56.4-140.2 -83.7 120.8 27.8 -16.2 -20.8 59 59 L R E -G 53 0B 110 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.677 19.4-126.3 -83.5 126.3 30.1 -13.7 -19.1 60 60 L F > - 0 0 44 -8,-2.7 3,-1.8 -2,-0.5 2,-0.1 -0.208 46.7 -69.3 -63.9 160.1 29.4 -10.2 -20.1 61 61 L S T 3 S+ 0 0 100 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 -0.297 119.7 13.6 -58.5 125.1 32.4 -8.1 -21.4 62 62 L G T 3 S+ 0 0 83 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.289 87.7 137.9 95.0 -8.5 34.9 -7.2 -18.8 63 63 L V < - 0 0 18 -3,-1.8 -1,-0.3 -11,-0.2 -4,-0.1 -0.606 60.0-110.7 -79.5 122.7 33.7 -9.7 -16.2 64 64 L P > - 0 0 45 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.151 22.7-124.8 -48.7 133.6 36.5 -11.6 -14.3 65 65 L D T 3 S+ 0 0 127 1,-0.3 16,-0.1 15,-0.0 -2,-0.1 0.439 101.5 81.5 -66.9 2.8 36.5 -15.3 -15.1 66 66 L R T 3 S+ 0 0 33 14,-0.1 15,-2.4 16,-0.1 2,-0.5 0.616 80.4 81.9 -79.9 -10.2 36.2 -16.3 -11.5 67 67 L F E < +C 80 0A 5 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.839 61.3 162.9 -95.8 122.8 32.4 -15.7 -12.1 68 68 L S E -C 79 0A 58 11,-2.6 11,-3.2 -2,-0.5 2,-0.4 -0.987 20.8-151.6-142.3 151.4 30.6 -18.6 -13.7 69 69 L G E +C 78 0A 13 -2,-0.3 2,-0.2 -12,-0.3 9,-0.2 -0.953 14.2 170.0-129.1 148.2 27.0 -19.6 -14.2 70 70 L S E +C 77 0A 50 7,-2.8 7,-2.4 -2,-0.4 2,-0.2 -0.837 21.6 100.5-140.8 177.2 25.1 -22.9 -14.6 71 71 L G E -C 76 0A 37 5,-0.3 5,-0.2 -2,-0.2 -2,-0.0 -0.492 37.4-146.3 124.4 165.9 21.5 -24.4 -14.7 72 72 L S S S- 0 0 95 3,-1.2 4,-0.1 -2,-0.2 -43,-0.0 0.682 70.2 -4.3-135.3 -50.6 19.0 -25.4 -17.3 73 73 L G S S- 0 0 17 2,-0.3 -44,-2.4 -45,-0.1 -46,-0.1 0.743 128.7 -12.7-117.1 -68.5 15.3 -25.0 -16.9 74 74 L T S S+ 0 0 56 -46,-0.2 -49,-2.4 1,-0.1 2,-0.5 0.406 120.3 68.6-119.0 -2.2 14.0 -23.7 -13.5 75 75 L D E +B 24 0A 88 -51,-0.2 -3,-1.2 -53,-0.0 2,-0.3 -0.973 57.0 169.2-126.4 125.2 17.2 -24.0 -11.4 76 76 L F E -BC 23 71A 1 -53,-3.0 -53,-2.6 -2,-0.5 2,-0.4 -0.945 13.8-159.2-133.0 152.6 20.3 -21.9 -11.9 77 77 L T E -BC 22 70A 32 -7,-2.4 -7,-2.8 -2,-0.3 2,-0.5 -0.993 6.7-158.4-138.4 136.2 23.5 -21.3 -10.0 78 78 L L E -BC 21 69A 0 -57,-2.7 -57,-2.5 -2,-0.4 2,-0.4 -0.922 18.3-167.7-108.7 133.4 26.2 -18.5 -10.0 79 79 L K E -BC 20 68A 82 -11,-3.2 -11,-2.6 -2,-0.5 2,-0.4 -0.954 12.4-164.7-124.8 145.4 29.6 -19.5 -8.6 80 80 L I E -BC 19 67A 1 -61,-2.7 -61,-2.3 -2,-0.4 2,-0.3 -0.938 11.5-153.8-129.5 106.2 32.5 -17.3 -7.7 81 81 L S S S+ 0 0 41 -15,-2.4 -63,-0.2 -2,-0.4 -64,-0.1 -0.621 78.4 5.5 -78.0 138.2 35.8 -19.0 -7.3 82 82 L R S S- 0 0 155 -66,-0.3 2,-0.2 -2,-0.3 -64,-0.2 0.930 87.9-132.3 50.2 94.1 38.1 -17.1 -4.9 83 83 L V - 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