==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBODY 09-NOV-04 1WC7 . COMPND 2 MOLECULE: FAB FRAGMENT OF CATALYTIC ANTIBODY 15A9, LIGHT . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.GOLINELLI-PIMPANEAU,P.CHRISTEN . 870 7 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 294 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 104 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 6.8 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 . 11 1.3 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 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 RESIDUES PER ALPHA HELIX . 0 1 1 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 . 17 10 19 6 5 6 4 0 0 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 . 3 11 2 4 2 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 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 A D 0 0 137 0, 0.0 2,-1.5 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 78.4 30.1 -7.4 65.4 2 2 A I - 0 0 10 92,-0.4 2,-0.4 90,-0.3 87,-0.2 -0.612 360.0-155.3 -76.7 98.7 28.9 -9.8 62.7 3 3 A E - 0 0 96 -2,-1.5 23,-1.3 1,-0.0 2,-0.5 -0.580 4.4-148.4 -82.3 132.0 32.3 -10.4 61.1 4 4 A L E -A 25 0A 12 -2,-0.4 95,-0.6 93,-0.3 2,-0.4 -0.865 9.9-164.1-113.8 130.4 32.3 -11.4 57.5 5 5 A T E -A 24 0A 78 19,-2.9 19,-4.4 -2,-0.5 2,-0.4 -0.899 4.0-165.1-105.9 129.1 34.7 -13.7 55.7 6 6 A Q E -A 23 0A 18 -2,-0.4 17,-0.2 17,-0.3 15,-0.0 -0.940 21.0-123.5-112.8 139.1 34.9 -13.9 51.9 7 7 A S E S+A 22 0A 75 15,-0.6 15,-0.6 -2,-0.4 2,-0.1 -1.000 80.4 29.1-138.2 140.2 36.7 -16.7 50.1 8 8 A P - 0 0 49 0, 0.0 -1,-0.2 0, 0.0 94,-0.1 0.547 65.5-151.3 -85.5 166.6 38.8 -16.8 48.2 9 9 A A S S+ 0 0 80 92,-0.2 93,-1.8 1,-0.1 2,-0.3 0.859 83.2 6.0 -57.3 -41.2 40.8 -13.6 48.9 10 10 A I E +b 102 0B 61 91,-0.2 2,-0.2 74,-0.0 93,-0.2 -0.956 66.8 169.0-142.2 159.5 41.9 -13.5 45.2 11 11 A M E -b 103 0B 55 91,-1.5 93,-2.2 -2,-0.3 2,-0.6 -0.815 21.3-151.4-175.8 136.9 41.1 -15.3 42.0 12 12 A A E -b 104 0B 44 -2,-0.2 2,-0.2 91,-0.2 93,-0.2 -0.938 24.2-173.7-113.2 111.5 41.7 -15.1 38.2 13 13 A A E -b 105 0B 1 91,-1.7 93,-3.3 -2,-0.6 3,-0.1 -0.672 20.5-123.8-102.0 159.4 39.1 -16.7 36.0 14 14 A S > - 0 0 40 -2,-0.2 3,-2.2 91,-0.2 63,-0.4 -0.679 46.7 -81.0 -91.9 152.7 38.9 -17.2 32.3 15 15 A P T 3 S+ 0 0 77 0, 0.0 63,-0.2 0, 0.0 -1,-0.1 -0.244 118.8 16.3 -52.2 139.3 36.0 -15.9 30.2 16 16 A G T 3 S+ 0 0 48 61,-3.0 2,-0.1 1,-0.3 62,-0.1 0.314 95.9 131.5 76.7 -7.5 32.9 -18.1 30.4 17 17 A E < - 0 0 81 -3,-2.2 60,-2.4 59,-0.2 -1,-0.3 -0.490 62.3-107.1 -76.6 147.3 34.4 -19.9 33.5 18 18 A K - 0 0 146 58,-0.2 2,-0.4 -2,-0.1 57,-0.2 -0.501 34.7-166.9 -82.9 145.9 32.0 -20.3 36.5 19 19 A V E +G 74 0C 3 55,-1.7 55,-2.3 -2,-0.2 2,-0.4 -0.981 11.7 177.3-141.0 126.3 32.5 -18.2 39.7 20 20 A T E +G 73 0C 74 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.985 7.0 179.4-127.3 139.5 31.1 -18.4 43.2 21 21 A I E -G 72 0C 0 51,-1.3 51,-2.2 -2,-0.4 2,-0.3 -0.934 9.5-153.0-136.8 156.6 31.8 -16.1 46.2 22 22 A T E -A 7 0A 34 -15,-0.6 2,-1.1 -2,-0.3 -15,-0.6 -0.969 20.7-159.3-139.0 122.0 30.7 -15.8 49.9 23 23 A a E -A 6 0A 0 -2,-0.3 2,-0.5 -17,-0.2 47,-0.4 -0.848 38.0-167.1 -82.1 94.7 30.4 -13.1 52.7 24 24 A S E -A 5 0A 24 -19,-4.4 -19,-2.9 -2,-1.1 2,-0.3 -0.824 3.4-151.7 -99.9 124.7 30.4 -15.8 55.4 25 25 A A E -A 4 0A 11 43,-1.6 -21,-0.2 -2,-0.5 -23,-0.1 -0.666 30.3-136.9-113.0 147.8 29.4 -14.7 58.9 26 26 A T S S+ 0 0 88 -23,-1.3 2,-0.3 -2,-0.3 -1,-0.1 0.582 98.7 27.2 -65.7 -13.4 29.9 -15.4 62.6 27 27 A S S S- 0 0 63 -24,-0.2 -1,-0.1 40,-0.1 -2,-0.1 -0.997 97.3 -82.7-153.9 151.8 26.2 -15.0 63.0 28 29 A G - 0 0 41 -2,-0.3 2,-0.3 63,-0.0 40,-0.2 -0.175 40.2-167.5 -53.7 133.4 23.0 -15.3 61.0 29 30 A V - 0 0 9 38,-2.6 38,-0.5 1,-0.1 3,-0.1 -0.835 23.0-139.5-117.5 166.1 21.9 -12.4 58.8 30 31 A N S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.796 85.8 17.6 -88.4 -32.8 18.6 -11.8 57.1 31 32 A Y - 0 0 89 845,-0.1 2,-0.5 36,-0.1 59,-0.4 -0.995 63.1-142.5-141.7 140.1 20.0 -10.5 53.8 32 33 A M - 0 0 0 -2,-0.3 18,-3.0 57,-0.1 2,-0.3 -0.920 21.2-169.7-103.1 136.5 23.3 -10.6 52.0 33 34 A H E -C 88 0B 4 55,-2.4 55,-0.6 -2,-0.5 2,-0.4 -0.880 3.2-162.2-119.7 153.5 24.2 -7.5 50.0 34 35 A W E -CD 87 47B 0 13,-2.6 12,-2.8 -2,-0.3 13,-1.1 -0.992 8.7-169.8-144.5 147.6 27.1 -7.1 47.5 35 36 A F E -CD 86 45B 0 51,-2.1 51,-1.2 -2,-0.4 2,-0.4 -0.825 14.0-142.2-125.7 163.8 29.1 -4.5 45.9 36 37 A Q E -CD 85 44B 6 8,-1.7 8,-1.4 -2,-0.3 2,-0.5 -0.998 14.4-164.2-129.1 129.7 31.6 -4.4 43.0 37 38 A Q E -C 84 0B 19 47,-4.3 47,-4.2 -2,-0.4 5,-0.1 -0.969 4.4-172.6-121.6 127.8 34.7 -2.2 43.1 38 39 A K > - 0 0 67 -2,-0.5 3,-1.5 4,-0.2 45,-0.1 -0.968 46.4 -74.6-118.7 129.9 36.8 -1.3 40.1 39 40 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.237 113.6 7.9 -33.6 131.4 40.1 0.6 40.4 40 41 A G T 3 S+ 0 0 91 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.393 111.1 101.3 75.6 4.6 39.9 4.3 41.1 41 42 A T S < S- 0 0 47 -3,-1.5 -1,-0.2 3,-0.0 3,-0.1 -0.797 74.5-109.9-118.5 160.2 36.1 4.2 41.6 42 43 A S - 0 0 22 -2,-0.3 -4,-0.2 1,-0.2 286,-0.1 -0.535 52.9 -89.6 -74.4 148.1 33.6 4.2 44.4 43 44 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 285,-0.2 -0.076 38.3-144.7 -56.8 159.0 31.7 0.9 44.9 44 45 A K E -D 36 0B 61 -8,-1.4 -8,-1.7 -3,-0.1 282,-0.1 -0.989 25.4-102.0-126.6 140.1 28.5 0.3 43.1 45 46 A L E +D 35 0B 13 281,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.327 46.9 166.4 -53.3 136.1 25.5 -1.6 44.4 46 47 A W E + 0 0 23 -12,-2.8 8,-3.3 1,-0.4 2,-0.5 0.658 59.4 9.9-120.4 -66.7 25.5 -5.1 42.9 47 48 A I E -DE 34 53B 0 -13,-1.1 -13,-2.6 6,-0.2 -1,-0.4 -0.972 68.6-168.9-117.7 134.5 23.2 -7.5 44.5 48 49 A Y E >> + E 0 52B 36 4,-3.2 4,-3.0 -2,-0.5 3,-0.7 -0.904 64.0 15.3-122.3 152.3 20.6 -6.4 47.1 49 50 A S T 34 S- 0 0 11 -2,-0.4 2,-1.4 1,-0.3 -1,-0.2 0.902 125.1 -68.3 57.0 42.3 18.4 -8.2 49.5 50 51 A T T 34 S+ 0 0 19 -18,-3.0 -1,-0.3 -3,-0.2 21,-0.2 -0.162 131.1 19.3 78.5 -41.5 20.4 -11.4 49.0 51 52 A S T <4 S+ 0 0 62 -2,-1.4 2,-1.0 -3,-0.7 12,-0.3 0.446 84.4 112.8-140.3 -6.2 19.4 -12.0 45.4 52 53 A N E < -E 48 0B 61 -4,-3.0 -4,-3.2 10,-0.1 -2,-0.1 -0.644 63.8-131.0 -86.3 109.5 18.0 -8.9 43.8 53 54 A L E -E 47 0B 54 -2,-1.0 -6,-0.2 -6,-0.2 3,-0.1 -0.161 23.7-127.3 -52.0 143.3 20.4 -7.8 41.0 54 55 A A > - 0 0 12 -8,-3.3 3,-1.6 1,-0.2 -1,-0.1 -0.306 43.9 -53.9 -88.3 176.0 21.3 -4.1 41.1 55 56 A S T 3 S+ 0 0 115 1,-0.3 -1,-0.2 267,-0.2 451,-0.1 -0.236 123.1 3.7 -54.3 125.9 21.1 -1.4 38.4 56 57 A A T 3 S+ 0 0 54 1,-0.3 -1,-0.3 449,-0.2 450,-0.2 0.754 93.3 146.4 69.9 26.1 22.9 -2.3 35.2 57 58 A V < - 0 0 13 -3,-1.6 -1,-0.3 448,-0.1 2,-0.1 -0.849 49.5-119.4 -99.7 125.2 23.8 -5.8 36.5 58 59 A P > - 0 0 12 0, 0.0 3,-2.4 0, 0.0 449,-0.1 -0.348 15.1-124.8 -60.6 138.3 24.0 -8.6 34.0 59 60 A A T 3 S+ 0 0 70 447,-0.4 16,-0.1 1,-0.3 448,-0.1 0.551 107.5 75.6 -60.4 -11.7 21.6 -11.6 34.5 60 61 A R T 3 S+ 0 0 31 14,-0.1 15,-2.7 16,-0.1 2,-0.4 0.733 86.4 83.4 -72.1 -17.7 24.7 -13.9 34.4 61 62 A F E < +H 74 0C 2 -3,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.721 58.4 165.2 -83.5 127.3 25.0 -12.4 37.9 62 63 A S E -H 73 0C 57 11,-2.4 11,-2.7 -2,-0.4 2,-0.3 -0.976 19.0-154.7-140.1 156.6 23.1 -14.0 40.8 63 64 A G E +H 72 0C 6 -12,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.962 25.9 138.7-129.1 147.8 23.2 -13.8 44.6 64 65 A S E +H 71 0C 51 7,-3.0 7,-4.0 -2,-0.3 2,-0.2 -0.905 3.6 117.1-164.7-169.8 22.1 -16.2 47.3 65 66 A G E -H 70 0C 34 5,-0.4 5,-0.3 -2,-0.3 2,-0.3 -0.764 39.5-116.5 124.9-170.1 22.7 -18.0 50.6 66 67 A S E > -H 69 0C 90 3,-3.4 3,-2.9 -2,-0.2 2,-0.7 -0.951 58.7 -29.1-170.2 144.4 21.2 -18.2 54.1 67 68 A G T 3 S- 0 0 24 -38,-0.5 -38,-2.6 -2,-0.3 -40,-0.1 -0.214 131.6 -0.6 50.5 -93.6 21.9 -17.4 57.7 68 69 A T T 3 S+ 0 0 81 -2,-0.7 -43,-1.6 -40,-0.2 2,-0.4 0.454 128.9 57.6-104.9 -8.8 25.7 -17.6 58.0 69 70 A S E < + H 0 66C 66 -3,-2.9 -3,-3.4 -45,-0.2 2,-0.3 -0.958 59.0 165.0-137.3 119.2 26.6 -18.6 54.5 70 71 A Y E - H 0 65C 8 -2,-0.4 -5,-0.4 -47,-0.4 2,-0.3 -0.839 16.1-148.5-129.6 159.4 25.8 -16.6 51.3 71 72 A S E - H 0 64C 25 -7,-4.0 -7,-3.0 -2,-0.3 2,-0.4 -0.948 15.4-159.4-139.0 155.5 27.0 -16.5 47.7 72 73 A L E -GH 21 63C 0 -51,-2.2 -51,-1.3 -2,-0.3 2,-0.4 -0.974 25.0-165.5-127.6 113.1 27.6 -14.4 44.6 73 74 A T E -GH 20 62C 18 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.6 -0.890 21.9-162.9-113.5 137.8 27.8 -16.3 41.3 74 75 A I E -GH 19 61C 0 -55,-2.3 -55,-1.7 -2,-0.4 3,-0.3 -0.946 16.7-156.6-103.2 94.5 29.0 -15.3 37.9 75 76 A S S S+ 0 0 58 -15,-2.7 2,-0.3 -2,-0.6 -1,-0.1 0.857 80.8 0.8 -42.9 -53.1 27.4 -18.0 35.7 76 77 A R S S- 0 0 39 -58,-0.1 -1,-0.2 -3,-0.1 -58,-0.2 -0.955 92.3-107.7-142.9 120.9 30.0 -17.6 33.0 77 78 A M - 0 0 2 -60,-2.4 -61,-3.0 -63,-0.4 2,-0.3 -0.042 32.6-171.3 -50.9 144.1 32.9 -15.1 33.3 78 79 A E > - 0 0 32 -63,-0.2 3,-4.3 -62,-0.1 4,-0.4 -0.968 32.2-121.7-143.5 127.5 32.9 -11.9 31.2 79 80 A A G > S+ 0 0 17 -2,-0.3 3,-0.9 1,-0.3 26,-0.1 0.650 111.8 57.3 -35.8 -35.9 35.8 -9.5 30.9 80 81 A E G 3 S+ 0 0 43 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.730 93.8 69.5 -70.5 -23.3 33.6 -6.6 32.2 81 82 A D G < S+ 0 0 3 -3,-4.3 -1,-0.2 2,-0.0 -2,-0.2 0.611 70.4 115.5 -73.8 -13.7 32.9 -8.5 35.4 82 83 A A < + 0 0 17 -3,-0.9 2,-0.3 -4,-0.4 22,-0.2 -0.368 41.7 94.9 -67.6 131.6 36.4 -8.2 36.8 83 84 A A E S- F 0 103B 8 20,-0.9 20,-2.3 -2,-0.1 2,-0.5 -0.979 77.4 -64.0 177.4-174.4 36.7 -6.2 40.0 84 85 A T E -CF 37 102B 21 -47,-4.2 -47,-4.3 -2,-0.3 2,-0.5 -0.861 47.3-157.1 -94.6 133.2 36.8 -6.4 43.8 85 86 A Y E -CF 36 101B 0 16,-2.5 16,-1.6 -2,-0.5 2,-0.5 -0.921 7.7-168.2-112.1 132.9 33.5 -7.7 45.3 86 87 A Y E -C 35 0B 13 -51,-1.2 -51,-2.1 -2,-0.5 -63,-0.1 -0.969 7.4-163.4-117.3 119.9 32.5 -7.1 48.9 87 88 A a E +C 34 0B 0 -2,-0.5 11,-1.3 -53,-0.2 -53,-0.2 -0.116 23.0 133.6 -72.7-173.8 29.6 -9.0 50.4 88 89 A Q E -C 33 0B 0 -55,-0.6 -55,-2.4 9,-0.2 2,-0.2 -0.411 38.4 -86.7 141.6-176.7 27.6 -8.2 53.5 89 90 A Q + 0 0 0 7,-0.5 7,-1.1 -57,-0.2 -57,-0.1 -0.615 12.8 172.9-104.5 135.6 24.9 -7.5 56.1 90 91 A R + 0 0 5 786,-0.8 3,-0.2 -59,-0.4 5,-0.1 -0.104 64.6 104.7-124.0 25.5 22.7 -4.8 57.4 91 92 A S S S+ 0 0 30 1,-0.3 2,-0.5 -60,-0.2 4,-0.1 0.959 85.5 18.6 -69.0 -62.0 20.9 -7.3 59.7 92 93 A T S S- 0 0 75 2,-0.2 -90,-0.3 784,-0.1 -1,-0.3 -0.971 99.2 -84.3-117.8 122.9 22.4 -6.3 63.0 93 94 A Y S S+ 0 0 48 -2,-0.5 2,-0.1 -3,-0.2 183,-0.1 -0.390 105.4 58.6 -54.0 142.5 24.2 -3.0 63.8 94 95 A P S S- 0 0 16 0, 0.0 -92,-0.4 0, 0.0 -2,-0.2 0.505 86.6-136.4 -86.3 149.4 26.8 -2.3 63.3 95 96 A F - 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