==== 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 IMMUNE SYSTEM 12-NOV-04 1WCB . COMPND 2 MOLECULE: FAB FRAGMENT OF CATALYTIC ANTIBODY 15A9, LIGHT . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.GOLINELLI-PIMPANEAU,P.CHRISTEN . 874 9 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 335 38.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 90 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 3.3 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 3 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 . 7 6 12 4 13 14 1 0 2 2 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 9 2 1 3 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 0 141 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 53.7 43.7 56.1 57.0 2 2 A I - 0 0 6 92,-0.2 2,-0.5 90,-0.1 87,-0.1 -0.340 360.0-155.8 -57.8 112.2 47.5 55.6 56.8 3 3 A E - 0 0 112 -2,-0.3 23,-1.9 93,-0.1 2,-0.5 -0.808 5.5-152.6 -95.2 131.5 48.4 54.2 53.4 4 4 A L E -A 25 0A 8 93,-0.5 2,-0.5 -2,-0.5 95,-0.5 -0.896 5.0-161.2-109.3 130.0 51.7 52.3 53.3 5 5 A T E -A 24 0A 76 19,-2.9 19,-2.3 -2,-0.5 2,-0.4 -0.923 7.2-155.5-113.9 124.7 53.8 52.1 50.1 6 6 A Q E -A 23 0A 15 -2,-0.5 17,-0.2 17,-0.2 15,-0.0 -0.773 13.3-133.7-102.3 142.5 56.4 49.4 49.7 7 7 A S E S+A 22 0A 56 15,-1.7 15,-2.6 -2,-0.4 2,-0.1 -0.990 76.3 32.5-148.8 143.3 59.4 49.4 47.5 8 8 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.605 66.4-158.4 -75.0 161.5 60.9 47.8 45.5 9 9 A A S S+ 0 0 68 1,-0.2 93,-2.9 92,-0.2 2,-0.3 0.902 77.8 3.6 -71.8 -41.1 57.8 46.0 44.2 10 10 A I E S+d 102 0B 115 91,-0.2 2,-0.3 74,-0.0 -1,-0.2 -0.967 73.1 153.2-142.7 156.9 59.9 43.1 42.9 11 11 A M E -d 103 0B 41 91,-1.6 93,-2.9 -2,-0.3 2,-0.3 -0.975 26.3-137.9-173.9 166.2 63.5 42.1 43.0 12 12 A A E -d 104 0B 38 -2,-0.3 2,-0.3 91,-0.2 93,-0.2 -0.939 16.8-170.6-134.7 154.1 66.0 39.3 42.9 13 13 A A E -d 105 0B 0 91,-0.8 93,-1.7 -2,-0.3 3,-0.1 -0.995 19.9-124.3-150.0 142.8 69.2 38.7 45.0 14 14 A S > - 0 0 45 -2,-0.3 3,-2.1 91,-0.2 63,-0.2 -0.429 49.7 -77.9 -82.5 158.6 72.1 36.3 44.9 15 15 A P T 3 S+ 0 0 92 0, 0.0 63,-0.2 0, 0.0 -1,-0.2 -0.252 119.3 17.7 -54.8 142.6 73.0 34.1 47.9 16 16 A G T 3 S+ 0 0 27 61,-2.6 2,-0.1 1,-0.3 62,-0.1 0.323 95.1 133.7 78.5 -10.1 74.9 36.1 50.6 17 17 A E < - 0 0 73 -3,-2.1 60,-3.9 60,-0.2 2,-0.4 -0.437 60.7-116.8 -74.6 147.7 73.7 39.3 49.1 18 18 A K - 0 0 139 58,-0.2 2,-0.4 -2,-0.1 57,-0.2 -0.729 31.4-159.4 -87.2 128.2 72.3 42.0 51.5 19 19 A V E - B 0 74A 1 55,-2.4 55,-2.6 -2,-0.4 2,-0.4 -0.889 8.9-171.7-113.4 139.1 68.7 42.8 50.8 20 20 A T E - B 0 73A 62 -2,-0.4 2,-0.4 53,-0.2 53,-0.2 -0.979 4.1-178.2-136.6 126.0 66.8 46.0 51.8 21 21 A I E - B 0 72A 2 51,-2.6 51,-1.7 -2,-0.4 2,-0.3 -0.916 11.3-158.7-117.1 145.4 63.1 46.7 51.6 22 22 A T E -AB 7 71A 53 -15,-2.6 -15,-1.7 -2,-0.4 2,-0.3 -0.840 7.9-164.3-123.6 160.5 61.5 50.0 52.6 23 23 A a E -AB 6 70A 2 47,-2.6 47,-1.5 -2,-0.3 2,-0.4 -0.904 8.8-164.1-148.0 110.3 58.0 51.0 53.6 24 24 A S E -AB 5 69A 59 -19,-2.3 -19,-2.9 -2,-0.3 2,-0.4 -0.835 7.0-149.6-103.5 139.8 56.9 54.6 53.6 25 25 A A E -A 4 0A 10 43,-1.9 -21,-0.2 -2,-0.4 -23,-0.1 -0.864 17.3-140.2-108.6 139.1 53.7 55.9 55.4 26 26 A T S S+ 0 0 89 -23,-1.9 2,-0.3 -2,-0.4 -1,-0.1 0.796 96.7 24.9 -63.2 -28.7 51.6 58.8 54.4 27 27 A S S S- 0 0 59 -24,-0.2 2,-0.4 40,-0.1 -2,-0.1 -0.835 101.8 -86.6-128.5 168.9 51.3 59.6 58.1 28 29 A G - 0 0 48 -2,-0.3 2,-0.3 40,-0.0 40,-0.2 -0.645 39.8-172.7 -85.9 130.0 53.5 58.8 61.1 29 30 A V - 0 0 3 38,-2.4 38,-0.5 -2,-0.4 3,-0.1 -0.873 25.1-136.4-117.6 152.5 53.2 55.5 62.9 30 31 A N S S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.599 86.3 16.3 -82.3 -15.6 54.9 54.4 66.1 31 32 A Y - 0 0 92 36,-0.1 2,-0.5 19,-0.1 59,-0.3 -0.985 61.3-151.5-155.0 149.1 55.8 50.9 65.0 32 33 A M - 0 0 0 -2,-0.3 18,-2.0 57,-0.1 2,-0.3 -0.996 15.6-161.3-126.0 129.8 56.0 49.0 61.7 33 34 A H E -E 88 0B 2 55,-2.9 55,-2.2 -2,-0.5 2,-0.3 -0.771 6.6-148.5-107.4 157.0 55.4 45.3 61.7 34 35 A W E -EF 87 47B 0 13,-3.1 12,-2.2 -2,-0.3 13,-1.6 -0.949 7.4-162.6-130.1 149.8 56.5 42.9 59.0 35 36 A F E -EF 86 45B 0 51,-2.5 51,-2.7 -2,-0.3 2,-0.6 -0.982 10.3-146.7-132.4 142.9 55.1 39.7 57.5 36 37 A Q E -EF 85 44B 3 8,-1.6 8,-2.1 -2,-0.4 2,-0.5 -0.923 17.7-176.7-108.8 122.4 56.7 36.9 55.3 37 38 A Q E -E 84 0B 17 47,-3.1 47,-3.1 -2,-0.6 5,-0.1 -0.955 6.7-171.6-126.2 113.8 54.4 35.2 52.9 38 39 A K > - 0 0 59 -2,-0.5 3,-1.5 4,-0.3 45,-0.1 -0.724 48.7 -77.0 -92.4 145.7 55.6 32.4 50.7 39 40 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.170 109.9 10.5 -54.5 135.7 53.1 31.3 48.1 40 41 A G T 3 S+ 0 0 87 1,-0.3 2,-0.2 -3,-0.0 -3,-0.0 0.335 109.3 89.8 86.2 -7.3 50.0 29.2 49.0 41 42 A T S < S- 0 0 74 -3,-1.5 -1,-0.3 1,-0.1 3,-0.1 -0.718 84.4 -88.8-118.0 169.1 50.4 29.5 52.8 42 43 A S - 0 0 36 -2,-0.2 -4,-0.3 1,-0.1 289,-0.1 -0.480 53.3 -95.8 -76.9 146.0 49.2 32.0 55.4 43 44 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.173 41.6-141.6 -55.7 150.0 51.3 35.0 56.1 44 45 A K E -F 36 0B 106 -8,-2.1 -8,-1.6 -3,-0.1 2,-0.5 -0.874 16.9-110.2-116.4 159.5 53.7 34.8 59.0 45 46 A L E +F 35 0B 14 282,-0.4 -10,-0.2 -2,-0.3 3,-0.1 -0.709 45.6 160.2 -80.8 125.8 54.8 37.2 61.7 46 47 A W E + 0 0 26 -12,-2.2 8,-1.8 -2,-0.5 2,-0.3 0.676 64.2 13.2-119.3 -36.2 58.5 38.0 60.8 47 48 A I E -FG 34 53B 0 -13,-1.6 -13,-3.1 6,-0.2 -1,-0.4 -0.976 66.7-170.2-145.7 128.3 59.3 41.2 62.6 48 49 A Y E > + G 0 52B 42 4,-3.5 4,-1.9 -2,-0.3 3,-0.3 -0.933 66.5 13.7-123.3 147.3 57.2 42.9 65.3 49 50 A S T 4 S- 0 0 13 -2,-0.4 2,-2.5 1,-0.2 -1,-0.2 0.926 120.2 -72.9 59.3 47.2 57.5 46.3 66.8 50 51 A T T 4 S+ 0 0 17 -18,-2.0 -1,-0.2 -3,-0.2 21,-0.1 -0.272 129.1 25.5 70.7 -54.4 59.8 47.6 64.2 51 52 A S T 4 S+ 0 0 72 -2,-2.5 2,-0.6 -3,-0.3 -1,-0.2 0.283 89.5 107.2-127.7 11.8 63.0 45.7 65.2 52 53 A N E < -G 48 0B 67 -4,-1.9 -4,-3.5 10,-0.1 2,-0.1 -0.834 60.9-134.3 -99.9 125.4 61.9 42.5 67.1 53 54 A L E -G 47 0B 56 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.455 21.4-126.1 -73.4 144.8 62.3 39.2 65.3 54 55 A A > - 0 0 9 -8,-1.8 3,-1.9 1,-0.2 -1,-0.1 -0.229 51.9 -51.0 -82.2 177.5 59.4 36.8 65.5 55 56 A S T 3 S- 0 0 95 268,-0.3 -1,-0.2 1,-0.3 -10,-0.0 -0.231 123.9 -4.6 -52.2 127.8 59.6 33.2 66.7 56 57 A A T 3 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.1 -10,-0.0 0.483 87.7 148.3 66.9 7.1 62.4 31.3 64.9 57 58 A V < - 0 0 13 -3,-1.9 -1,-0.2 1,-0.1 -4,-0.1 -0.575 51.5-109.9 -76.8 132.8 63.5 34.1 62.5 58 59 A P > - 0 0 40 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.220 19.3-119.8 -60.1 147.4 67.2 34.0 61.6 59 60 A A T 3 S+ 0 0 90 1,-0.3 16,-0.1 15,-0.0 -2,-0.1 0.774 104.3 79.6 -58.9 -28.8 69.5 36.8 63.0 60 61 A R T 3 S+ 0 0 47 14,-0.1 15,-3.7 16,-0.1 -1,-0.3 0.692 84.9 81.3 -55.4 -15.4 70.5 37.8 59.5 61 62 A F E < +C 74 0A 4 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.545 55.4 157.2 -90.8 157.4 67.1 39.7 59.5 62 63 A S E -C 73 0A 55 11,-1.1 11,-3.8 -2,-0.2 2,-0.3 -0.938 21.1-152.9-174.0 150.9 66.5 43.1 61.1 63 64 A G E +C 72 0A 9 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.928 18.1 160.5-132.3 159.0 64.1 46.0 60.9 64 65 A S E +C 71 0A 61 7,-2.0 7,-2.3 -2,-0.3 2,-0.2 -0.952 16.6 90.2-161.7 179.7 64.2 49.7 61.6 65 66 A G E -C 70 0A 40 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.747 33.1-153.0 122.3-170.6 62.8 53.2 61.1 66 67 A S E > +C 69 0A 81 3,-2.3 3,-2.6 -2,-0.2 2,-0.7 -0.926 60.7 30.2 171.4 173.1 60.2 55.5 62.6 67 68 A G T 3 S- 0 0 38 -38,-0.5 -38,-2.4 -2,-0.3 -36,-0.1 -0.449 132.1 -25.2 61.4-106.7 57.9 58.4 61.7 68 69 A T T 3 S+ 0 0 67 -2,-0.7 -43,-1.9 -40,-0.2 2,-0.4 0.209 123.3 79.3-122.3 12.5 57.0 57.6 58.1 69 70 A S E < +BC 24 66A 75 -3,-2.6 -3,-2.3 -45,-0.2 2,-0.3 -0.968 49.5 157.9-131.3 122.8 60.1 55.6 57.0 70 71 A Y E -BC 23 65A 3 -47,-1.5 -47,-2.6 -2,-0.4 2,-0.3 -0.959 12.9-170.1-140.7 158.6 60.8 51.9 57.7 71 72 A S E -BC 22 64A 23 -7,-2.3 -7,-2.0 -2,-0.3 2,-0.4 -0.999 18.0-147.3-153.7 147.9 62.8 49.0 56.4 72 73 A L E -BC 21 63A 2 -51,-1.7 -51,-2.6 -2,-0.3 2,-0.4 -0.931 26.5-164.3-110.1 134.2 63.4 45.3 56.6 73 74 A T E -BC 20 62A 21 -11,-3.8 -11,-1.1 -2,-0.4 2,-0.6 -0.976 16.9-162.1-128.4 135.4 67.0 44.1 56.0 74 75 A I E -BC 19 61A 1 -55,-2.6 -55,-2.4 -2,-0.4 3,-0.4 -0.964 8.8-159.0-112.0 115.3 68.5 40.7 55.3 75 76 A S S S+ 0 0 55 -15,-3.7 2,-0.4 -2,-0.6 -1,-0.2 0.969 84.4 10.1 -57.0 -56.6 72.3 40.7 56.0 76 77 A R S S- 0 0 157 -58,-0.1 -1,-0.3 -16,-0.0 -58,-0.2 -0.870 87.4-125.3-132.8 100.8 73.0 37.7 53.8 77 78 A M - 0 0 0 -60,-3.9 -61,-2.6 -2,-0.4 2,-0.3 -0.061 25.5-164.3 -44.4 129.0 70.2 36.4 51.5 78 79 A E > - 0 0 83 -63,-0.2 3,-0.9 -62,-0.1 4,-0.1 -0.779 31.4-113.8-112.7 160.6 69.4 32.7 51.9 79 80 A A G > S+ 0 0 51 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.805 114.9 56.5 -64.5 -30.5 67.3 30.6 49.5 80 81 A E G 3 S+ 0 0 103 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.682 89.6 73.1 -76.2 -17.6 64.5 30.2 52.0 81 82 A D G < + 0 0 2 -3,-0.9 2,-0.3 2,-0.0 -1,-0.2 0.517 68.6 119.2 -74.4 -1.8 64.1 34.0 52.4 82 83 A A < + 0 0 17 -3,-1.0 2,-0.3 -4,-0.1 22,-0.2 -0.497 45.7 87.7 -65.5 126.8 62.5 34.0 49.0 83 84 A A E S- H 0 103B 7 20,-1.8 20,-3.0 -2,-0.3 2,-0.5 -0.973 79.8 -67.7 169.6-172.4 58.9 35.3 49.4 84 85 A T E -EH 37 102B 19 -47,-3.1 -47,-3.1 -2,-0.3 2,-0.4 -0.913 43.2-149.5-108.0 133.7 56.7 38.3 49.5 85 86 A Y E -EH 36 101B 0 16,-2.3 16,-1.7 -2,-0.5 2,-0.4 -0.842 8.6-164.4-106.8 140.0 57.1 40.7 52.4 86 87 A Y E -E 35 0B 15 -51,-2.7 -51,-2.5 -2,-0.4 2,-0.2 -0.980 5.8-155.5-126.6 124.3 54.3 42.8 53.9 87 88 A a E -E 34 0B 0 -2,-0.4 11,-2.0 -53,-0.2 2,-0.3 -0.553 17.4-169.3 -88.1 161.5 54.7 45.8 56.3 88 89 A Q E -EI 33 97B 0 -55,-2.2 -55,-2.9 9,-0.3 2,-0.5 -0.986 15.4-152.9-153.5 142.1 51.8 46.6 58.5 89 90 A Q E + I 0 96B 0 7,-2.5 7,-2.3 -2,-0.3 -57,-0.1 -0.982 17.2 170.4-121.3 128.7 50.8 49.5 60.8 90 91 A R + 0 0 5 790,-0.5 5,-0.1 -2,-0.5 3,-0.1 -0.195 55.6 104.3-121.7 31.8 48.5 49.0 63.7 91 92 A S S S+ 0 0 30 789,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.837 86.8 19.4 -83.5 -37.1 49.3 52.5 65.0 92 93 A T S S- 0 0 68 2,-0.2 -1,-0.3 788,-0.1 -90,-0.1 -0.994 99.8 -71.2-137.3 141.9 45.9 54.0 63.9 93 94 A Y S S+ 0 0 65 -2,-0.3 2,-0.1 -3,-0.1 -91,-0.1 -0.554 110.7 45.5 -74.9 136.5 42.6 52.5 63.0 94 95 A P S S- 0 0 19 0, 0.0 -2,-0.2 0, 0.0 -92,-0.2 0.581 89.7-133.3 -85.3 157.4 42.1 51.0 60.7 95 96 A F - 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