==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 27-DEC-08 3FO1 . COMPND 2 MOLECULE: CATALYTIC ANTIBODY FAB 13G5 KAPPA LIGHT CHAIN CHI . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS, HOMO SAPIENS; . AUTHOR E.W.DEBLER,I.A.WILSON . 862 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 562 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 344 39.9 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 . 8 0.9 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 . 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 . 95 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 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 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 8 7 10 6 10 18 0 0 3 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 . 2 1 9 2 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 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 0 102 0, 0.0 443,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.2 36.1 8.5 28.4 2 2 L L - 0 0 11 98,-0.3 2,-0.4 97,-0.1 93,-0.0 -0.355 360.0-148.9 -73.6 151.3 37.9 5.1 28.3 3 3 L V - 0 0 41 -2,-0.1 23,-1.7 24,-0.0 2,-0.5 -0.991 4.6-154.9-120.8 127.1 36.9 2.2 26.0 4 4 L M E -A 25 0A 13 -2,-0.4 2,-0.6 99,-0.3 101,-0.4 -0.926 11.2-161.9-101.7 121.1 37.4 -1.4 27.2 5 5 L T E -A 24 0A 23 19,-3.6 19,-2.8 -2,-0.5 2,-0.5 -0.917 5.8-170.8-111.0 120.0 37.8 -3.9 24.3 6 6 L Q E -A 23 0A 12 -2,-0.6 17,-0.2 17,-0.2 99,-0.1 -0.921 15.3-134.8-110.4 128.8 37.3 -7.6 24.9 7 7 L T E +A 22 0A 24 15,-1.0 15,-2.2 -2,-0.5 2,-0.1 -0.941 68.8 30.2-131.5 160.4 38.0 -10.3 22.4 8 8 L P - 0 0 38 0, 0.0 3,-0.1 0, 0.0 429,-0.1 0.731 60.8-153.6 -74.7 170.8 37.0 -12.7 21.1 9 9 L L S S+ 0 0 126 1,-0.2 99,-2.7 427,-0.2 2,-0.4 0.853 87.1 24.7 -72.5 -33.2 33.3 -12.1 21.3 10 10 L S E -d 108 0B 51 97,-0.2 -1,-0.2 80,-0.0 99,-0.2 -0.996 69.8-167.9-138.2 139.7 32.7 -15.9 21.3 11 11 L L E -d 109 0B 29 97,-3.3 99,-1.2 -2,-0.4 2,-0.3 -0.721 4.4-163.7-139.7 82.7 35.1 -18.5 22.5 12 12 L P E +d 110 0B 72 0, 0.0 2,-0.4 0, 0.0 99,-0.2 -0.502 20.6 175.9 -67.5 123.7 34.5 -22.3 21.8 13 13 L V E -d 111 0B 9 97,-2.5 99,-3.7 -2,-0.3 2,-0.3 -0.976 28.2-122.3-135.4 141.2 36.7 -24.4 24.1 14 14 L S E > -d 112 0B 40 -2,-0.4 3,-2.6 97,-0.2 69,-0.3 -0.640 44.8 -89.8 -82.4 140.1 37.0 -28.2 24.6 15 15 L L T 3 S+ 0 0 81 97,-1.6 69,-0.2 -2,-0.3 -1,-0.1 -0.192 115.4 16.9 -47.0 130.2 36.4 -29.6 28.1 16 16 L G T 3 S+ 0 0 45 67,-3.0 66,-0.4 1,-0.3 -1,-0.3 0.356 101.4 113.1 86.5 -6.3 39.7 -29.7 30.0 17 17 L D S < S- 0 0 87 -3,-2.6 66,-2.7 65,-0.1 -1,-0.3 -0.438 71.6 -98.5 -85.3 169.7 41.5 -27.2 27.6 18 18 L Q - 0 0 131 64,-0.2 2,-0.4 -2,-0.1 63,-0.2 -0.673 28.4-150.3 -94.4 149.8 42.7 -23.8 28.6 19 19 L A E - B 0 80A 3 61,-2.7 61,-2.8 -2,-0.3 2,-0.4 -0.952 8.5-168.8-121.7 133.4 40.8 -20.6 27.8 20 20 L S E - B 0 79A 62 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.980 3.2-172.9-128.9 121.7 42.4 -17.2 27.3 21 21 L I E - B 0 78A 0 57,-3.3 57,-2.5 -2,-0.4 2,-0.3 -0.939 10.9-147.5-115.7 135.2 40.5 -13.9 27.1 22 22 L S E -AB 7 77A 24 -15,-2.2 -15,-1.0 -2,-0.4 2,-0.3 -0.696 13.8-179.7 -98.9 146.8 41.9 -10.5 26.2 23 23 L a E -AB 6 76A 0 53,-2.7 53,-2.7 -2,-0.3 2,-0.3 -0.886 8.0-176.1-144.2 115.1 40.8 -7.1 27.5 24 24 L R E -AB 5 75A 97 -19,-2.8 -19,-3.6 -2,-0.3 2,-0.3 -0.866 12.6-148.5-114.6 147.6 42.4 -3.9 26.3 25 25 L S E -A 4 0A 9 49,-2.2 -21,-0.2 -2,-0.3 4,-0.1 -0.859 20.4-130.3-110.8 147.6 41.9 -0.3 27.5 26 26 L S S S+ 0 0 47 -23,-1.7 2,-0.3 -2,-0.3 -22,-0.1 0.691 94.7 12.6 -70.3 -19.5 42.2 2.8 25.2 27 27 L Q S S- 0 0 100 -24,-0.2 -24,-0.0 46,-0.1 -2,-0.0 -0.923 105.8 -64.7-143.5 168.5 44.5 4.4 27.9 28 28 L S - 0 0 52 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.239 31.4-161.6 -53.8 134.9 46.3 3.3 31.0 29 29 L I + 0 0 0 44,-1.8 8,-0.7 -4,-0.1 2,-0.6 0.068 51.9 124.4-106.1 23.6 44.0 2.1 33.8 30 30 L V B -J 36 0C 58 6,-0.2 6,-0.2 43,-0.1 5,-0.1 -0.739 59.7-134.8 -78.4 121.9 46.9 2.6 36.3 31 31 L H > - 0 0 32 4,-3.1 3,-1.4 -2,-0.6 67,-0.1 -0.293 17.9-114.2 -71.1 160.4 45.5 4.9 39.0 32 32 L S T 3 S+ 0 0 125 1,-0.2 -1,-0.1 65,-0.2 -2,-0.0 0.680 119.6 62.2 -65.7 -18.6 47.6 7.8 40.4 33 33 L N T 3 S- 0 0 60 2,-0.2 -1,-0.2 1,-0.0 3,-0.1 0.481 120.8-111.8 -84.3 -3.6 47.6 5.9 43.7 34 34 L G S < S+ 0 0 49 -3,-1.4 2,-0.2 1,-0.4 -2,-0.1 0.220 80.4 111.4 99.0 -14.1 49.4 3.1 41.9 35 35 L N - 0 0 61 -5,-0.1 -4,-3.1 62,-0.0 2,-0.5 -0.551 59.6-138.5 -85.6 159.2 46.8 0.3 41.8 36 36 L T B -J 30 0C 23 -6,-0.2 2,-1.6 -2,-0.2 -6,-0.2 -0.955 12.6-151.6-120.0 108.5 45.1 -0.8 38.6 37 37 L Y + 0 0 16 -8,-0.7 59,-2.9 -2,-0.5 60,-0.5 -0.623 37.9 144.5 -90.6 85.6 41.4 -1.4 39.2 38 38 L L E -E 95 0B 0 -2,-1.6 18,-2.4 57,-0.2 2,-0.3 -0.995 23.0-175.3-125.0 121.6 40.5 -4.1 36.8 39 39 L A E -E 94 0B 3 55,-2.7 55,-2.2 -2,-0.4 2,-0.4 -0.844 15.9-147.2-114.4 152.3 37.9 -6.7 37.6 40 40 L W E -EF 93 53B 0 13,-1.8 12,-2.3 -2,-0.3 13,-1.6 -0.974 17.0-171.2-115.4 133.4 36.6 -9.8 35.8 41 41 L Y E -EF 92 51B 0 51,-2.7 51,-2.8 -2,-0.4 2,-0.5 -0.942 11.3-150.8-123.9 143.2 33.0 -10.9 36.2 42 42 L L E -EF 91 50B 4 8,-2.5 8,-2.4 -2,-0.4 2,-0.6 -0.975 6.0-167.6-110.7 128.6 31.2 -14.1 35.1 43 43 L Q E -E 90 0B 21 47,-2.5 47,-2.1 -2,-0.5 3,-0.1 -0.925 10.6-163.9-114.1 107.7 27.5 -14.1 34.3 44 44 L K > - 0 0 31 -2,-0.6 3,-2.1 4,-0.5 45,-0.2 -0.471 41.3 -72.7 -83.9 157.7 26.1 -17.7 33.9 45 45 L P T 3 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.245 118.9 2.8 -50.7 132.1 22.8 -18.3 32.2 46 46 L G T 3 S+ 0 0 90 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.670 114.4 104.7 62.9 17.4 19.8 -17.2 34.4 47 47 L Q S < S- 0 0 99 -3,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.834 73.7-114.1-120.3 162.2 22.2 -15.9 37.0 48 48 L S - 0 0 29 -2,-0.3 -4,-0.5 1,-0.1 282,-0.1 -0.561 54.7 -80.6 -79.5 159.5 23.4 -12.4 38.1 49 49 L P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.212 45.6-150.2 -59.3 151.4 27.1 -11.6 37.4 50 50 L K E -F 42 0B 95 -8,-2.4 -8,-2.5 -3,-0.1 2,-0.6 -0.991 16.4-115.3-132.3 141.2 29.8 -12.9 39.9 51 51 L L E +F 41 0B 4 -2,-0.4 -10,-0.2 274,-0.3 3,-0.1 -0.536 39.0 160.1 -74.9 114.5 33.2 -11.5 40.9 52 52 L L E + 0 0 4 -12,-2.3 8,-2.8 -2,-0.6 2,-0.3 0.864 64.7 16.0 -93.4 -52.0 36.0 -13.7 39.9 53 53 L I E -FG 40 59B 0 -13,-1.6 -13,-1.8 6,-0.2 2,-0.3 -0.943 57.6-173.1-135.1 142.1 39.0 -11.4 39.9 54 54 L Y E >> + G 0 58B 42 4,-2.3 4,-2.2 -2,-0.3 3,-0.5 -0.982 68.4 17.5-134.3 149.6 39.9 -7.9 41.3 55 55 L K T 34 S- 0 0 49 268,-0.4 2,-2.4 -2,-0.3 -1,-0.2 0.959 123.5 -67.0 56.2 54.7 42.9 -5.6 40.9 56 56 L V T 34 S+ 0 0 18 -18,-2.4 -1,-0.3 1,-0.2 21,-0.2 -0.203 129.3 18.2 70.5 -47.6 44.2 -7.4 37.8 57 57 L S T <4 S+ 0 0 69 -2,-2.4 2,-0.6 -3,-0.5 12,-0.3 0.318 85.9 115.1-145.2 11.2 45.1 -10.8 39.3 58 58 L N E < -G 54 0B 58 -4,-2.2 -4,-2.3 10,-0.1 2,-0.3 -0.795 56.3-133.8 -97.9 123.2 43.5 -11.3 42.8 59 59 L R E -G 53 0B 105 -2,-0.6 -6,-0.2 -6,-0.2 2,-0.2 -0.537 19.2-125.9 -71.9 133.5 41.0 -14.2 43.1 60 60 L F > - 0 0 41 -8,-2.8 3,-1.9 -2,-0.3 -1,-0.1 -0.520 48.4 -74.6 -76.0 146.7 37.8 -13.4 45.0 61 61 L S T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.104 120.6 17.6 -47.5 128.3 37.0 -15.7 47.9 62 62 L G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.484 87.9 130.4 89.0 4.3 35.7 -19.1 46.7 63 63 L V < - 0 0 13 -3,-1.9 -1,-0.3 -11,-0.1 -4,-0.1 -0.834 60.9-116.8 -93.7 122.8 37.1 -18.8 43.1 64 64 L P > - 0 0 51 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.109 17.9-114.6 -59.0 158.0 39.1 -21.9 42.1 65 65 L D T 3 S+ 0 0 127 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.566 104.7 82.4 -70.1 -11.9 42.8 -21.7 41.2 66 66 L R T 3 S+ 0 0 38 14,-0.1 15,-3.4 16,-0.1 2,-0.5 0.684 83.2 77.3 -62.8 -20.1 42.1 -22.7 37.6 67 67 L F E < +C 80 0A 5 -3,-1.4 2,-0.4 13,-0.2 13,-0.2 -0.844 61.8 171.6 -98.4 127.7 41.2 -19.0 37.0 68 68 L S E -C 79 0A 47 11,-3.1 11,-3.0 -2,-0.5 2,-0.4 -0.994 19.2-156.1-142.4 145.3 43.9 -16.4 36.7 69 69 L G E +C 78 0A 8 -2,-0.4 2,-0.2 -12,-0.3 9,-0.2 -0.907 23.6 156.7-114.8 137.5 44.2 -12.7 35.9 70 70 L S E +C 77 0A 55 7,-2.2 7,-1.5 -2,-0.4 2,-0.1 -0.825 15.4 87.5-142.0-175.9 47.3 -11.0 34.5 71 71 L G E -C 76 0A 39 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.368 43.0-129.5 114.2 175.3 48.5 -8.0 32.5 72 72 L S E > -C 75 0A 95 3,-1.4 3,-1.8 -2,-0.1 2,-1.1 -0.979 62.6 -4.0-160.7 151.8 49.5 -4.3 33.0 73 73 L G T 3 S- 0 0 21 -2,-0.3 -44,-1.8 1,-0.3 -46,-0.1 -0.485 130.2 -13.8 72.3 -95.9 48.8 -0.8 31.7 74 74 L T T 3 S+ 0 0 65 -2,-1.1 -49,-2.2 -46,-0.2 2,-0.6 0.543 121.2 73.8-114.6 -14.0 46.4 -1.3 28.8 75 75 L D E < +BC 24 72A 67 -3,-1.8 -3,-1.4 -51,-0.2 2,-0.3 -0.910 54.7 169.9-113.9 115.5 46.6 -5.1 28.0 76 76 L F E -BC 23 71A 0 -53,-2.7 -53,-2.7 -2,-0.6 2,-0.3 -0.877 11.3-165.6-125.9 158.8 44.9 -7.6 30.3 77 77 L T E -BC 22 70A 30 -7,-1.5 -7,-2.2 -2,-0.3 2,-0.5 -0.998 11.2-155.6-143.5 130.9 44.2 -11.4 30.1 78 78 L L E -BC 21 69A 0 -57,-2.5 -57,-3.3 -2,-0.3 2,-0.4 -0.952 17.7-167.3-103.3 129.7 42.0 -13.9 31.9 79 79 L K E -BC 20 68A 88 -11,-3.0 -11,-3.1 -2,-0.5 2,-0.5 -0.966 7.3-166.2-117.2 135.8 43.1 -17.5 31.7 80 80 L I E -BC 19 67A 0 -61,-2.8 -61,-2.7 -2,-0.4 3,-0.3 -0.982 11.8-153.7-119.4 116.3 41.0 -20.5 32.7 81 81 L N S S+ 0 0 82 -15,-3.4 -63,-0.1 -2,-0.5 -64,-0.1 -0.603 72.3 5.1 -86.0 154.0 42.8 -23.7 33.1 82 82 L R S S- 0 0 192 -66,-0.4 -1,-0.2 -2,-0.2 -64,-0.2 0.887 87.8-138.3 38.1 69.7 41.1 -27.1 32.6 83 83 L V - 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