==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 24-MAY-94 1FOR . COMPND 2 MOLECULE: IGG2A-KAPPA 17-IA FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.J.SMITH,H.LIU . 429 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 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 . 42 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 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 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 . 3 4 5 3 3 8 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 . 0 0 3 3 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 Q 0 0 173 0, 0.0 2,-0.6 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 40.0 -10.0 42.1 51.6 2 2 L I - 0 0 18 92,-0.3 2,-0.5 23,-0.1 87,-0.1 -0.676 360.0-153.5 -78.3 118.4 -8.8 45.7 51.6 3 3 L V - 0 0 88 -2,-0.6 2,-0.7 93,-0.0 23,-0.5 -0.864 0.9-152.5 -96.6 126.6 -7.6 46.4 48.1 4 4 L L E -Ab 25 98A 6 93,-0.6 95,-1.1 -2,-0.5 2,-0.5 -0.880 8.7-158.5-102.6 113.4 -4.9 49.1 47.8 5 5 L T E -A 24 0A 74 19,-2.6 19,-1.6 -2,-0.7 2,-0.5 -0.803 5.3-153.6 -95.4 124.5 -4.9 50.9 44.4 6 6 L Q E -A 23 0A 7 -2,-0.5 17,-0.2 17,-0.2 15,-0.0 -0.834 13.0-129.9-103.3 128.8 -1.7 52.7 43.3 7 7 L S E S+A 22 0A 62 15,-1.8 15,-2.2 -2,-0.5 2,-0.1 -0.985 81.0 23.0-128.2 132.6 -1.7 55.6 40.8 8 8 L P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.594 65.9-155.3 -87.7 164.6 0.0 56.0 38.4 9 9 L A S S+ 0 0 78 1,-0.2 93,-1.3 92,-0.2 2,-0.3 0.768 82.6 1.1 -69.5 -26.4 1.0 52.4 37.4 10 10 L I E S+e 102 0B 102 91,-0.2 2,-0.3 74,-0.0 -1,-0.2 -0.971 71.4 160.1-159.7 148.2 4.1 53.8 35.7 11 11 L M E -e 103 0B 50 91,-2.2 93,-2.8 -2,-0.3 2,-0.3 -0.967 22.2-140.7-166.8 157.5 5.7 57.2 35.1 12 12 L S E -e 104 0B 46 -2,-0.3 2,-0.3 91,-0.2 93,-0.2 -0.924 14.8-172.3-126.7 152.5 9.0 59.0 34.2 13 13 L A E -e 105 0B 1 91,-2.1 93,-2.3 -2,-0.3 3,-0.1 -0.999 23.2-126.0-147.9 140.9 10.6 62.2 35.6 14 14 L F > - 0 0 86 -2,-0.3 3,-1.9 91,-0.2 63,-0.3 -0.534 51.2 -88.4 -77.1 149.8 13.5 64.4 34.7 15 15 L P T 3 S+ 0 0 76 0, 0.0 63,-0.2 0, 0.0 -1,-0.1 -0.368 116.2 37.2 -62.3 140.1 15.9 64.9 37.6 16 16 L G T 3 S+ 0 0 21 61,-1.6 62,-0.1 1,-0.4 2,-0.1 0.116 89.7 120.2 106.4 -19.6 14.9 68.0 39.6 17 17 L E < - 0 0 90 -3,-1.9 60,-3.1 59,-0.2 2,-0.5 -0.366 65.4-118.5 -77.8 157.6 11.1 67.3 39.2 18 18 L K - 0 0 148 58,-0.2 2,-0.4 -3,-0.1 57,-0.2 -0.851 30.0-161.3 -97.6 127.3 8.7 66.8 42.1 19 19 L V E - C 0 74A 4 55,-1.8 55,-2.3 -2,-0.5 2,-0.4 -0.888 10.3-173.1-113.4 140.1 7.0 63.4 42.1 20 20 L T E - C 0 73A 64 -2,-0.4 2,-0.3 53,-0.2 53,-0.2 -0.893 3.1-175.3-137.6 106.1 3.9 62.4 44.0 21 21 L I E - C 0 72A 0 51,-2.1 51,-2.5 -2,-0.4 2,-0.3 -0.711 13.5-150.3 -95.6 146.4 2.6 58.7 44.1 22 22 L T E -AC 7 71A 56 -15,-2.2 -15,-1.8 -2,-0.3 2,-0.4 -0.931 12.6-166.0-126.6 148.2 -0.7 57.8 45.7 23 23 L a E -AC 6 70A 2 47,-3.0 47,-2.5 -2,-0.3 2,-0.4 -0.998 12.4-173.4-128.1 129.2 -2.0 54.7 47.5 24 24 L S E -AC 5 69A 40 -19,-1.6 -19,-2.6 -2,-0.4 45,-0.2 -0.981 6.2-156.6-133.6 127.0 -5.8 54.4 48.2 25 25 L A E -A 4 0A 14 43,-2.5 -21,-0.2 -2,-0.4 4,-0.1 -0.551 25.9-125.4 -97.3 162.7 -7.6 51.7 50.2 26 26 L T E S+ 0 0 96 -23,-0.5 2,-0.3 -2,-0.2 42,-0.1 0.568 95.7 22.4 -80.0 -11.6 -11.2 50.5 50.1 27 27 L S E S- 0 0 67 40,-0.1 -1,-0.1 41,-0.1 -2,-0.1 -0.989 101.0 -72.3-155.7 151.7 -11.6 51.2 53.9 28 28 L S E - 0 0 91 -2,-0.3 2,-0.3 -3,-0.1 40,-0.2 -0.037 48.4-169.8 -43.6 140.1 -10.1 53.3 56.6 29 29 L V E - C 0 67A 6 38,-1.9 38,-0.6 1,-0.1 3,-0.1 -0.963 27.3-132.7-135.4 148.2 -6.6 52.1 57.7 30 30 L N S S- 0 0 128 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.798 80.9 -25.1 -72.7 -32.5 -4.6 53.2 60.7 31 31 L Y - 0 0 10 36,-0.1 59,-0.5 35,-0.1 2,-0.3 -0.961 54.6-131.6-171.7 164.8 -1.3 53.7 58.7 32 32 L M E -F 89 0B 1 -2,-0.3 18,-3.0 57,-0.1 2,-0.3 -0.960 11.4-151.8-128.9 143.4 0.6 52.6 55.6 33 33 L H E -F 88 0B 0 55,-2.0 55,-2.7 -2,-0.3 2,-0.4 -0.749 14.7-146.5-107.0 160.4 4.2 51.4 55.2 34 34 L W E -FG 87 47B 1 13,-2.3 12,-3.3 -2,-0.3 13,-1.5 -0.993 11.8-170.5-132.7 140.6 6.2 51.9 52.0 35 35 L F E -FG 86 45B 0 51,-2.7 51,-1.8 -2,-0.4 2,-0.4 -0.881 10.5-147.5-125.6 158.3 8.9 49.8 50.4 36 36 L Q E -FG 85 44B 7 8,-1.6 8,-1.7 -2,-0.3 2,-0.5 -0.995 11.1-168.5-128.3 134.5 11.2 50.4 47.4 37 37 L Q E -F 84 0B 15 47,-3.0 47,-1.6 -2,-0.4 3,-0.1 -0.883 6.7-161.4-134.7 106.8 12.4 47.7 45.0 38 38 L K > - 0 0 73 -2,-0.5 3,-1.4 4,-0.2 45,-0.1 -0.560 49.3 -80.3 -77.8 142.7 15.2 48.0 42.5 39 39 L P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.134 114.2 15.6 -48.2 127.4 15.2 45.4 39.7 40 40 L G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.604 109.1 87.0 86.0 14.7 16.8 42.1 40.9 41 41 L T S < S- 0 0 75 -3,-1.4 -1,-0.3 0, 0.0 281,-0.0 -0.865 80.1 -88.0-139.4 172.7 16.8 42.6 44.6 42 42 L S - 0 0 32 -2,-0.3 -4,-0.2 1,-0.1 278,-0.1 -0.603 54.3 -98.6 -81.7 141.1 14.8 42.3 47.8 43 43 L P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.094 35.1-142.5 -55.8 156.2 12.5 45.2 48.8 44 44 L K E -G 36 0B 123 -8,-1.7 -8,-1.6 275,-0.1 2,-0.4 -0.908 20.6-108.5-121.8 149.9 13.6 47.7 51.4 45 45 L L E +G 35 0B 28 273,-0.5 -10,-0.2 -2,-0.3 3,-0.1 -0.658 43.2 168.3 -76.2 128.8 11.6 49.5 54.1 46 46 L W E + 0 0 26 -12,-3.3 8,-2.5 -2,-0.4 2,-0.4 0.779 61.4 8.4-109.5 -49.3 11.3 53.1 52.9 47 47 L I E -GH 34 53B 0 -13,-1.5 -13,-2.3 6,-0.2 2,-0.3 -0.988 65.9-157.8-141.0 122.5 8.7 54.8 55.1 48 48 L Y E > S+ H 0 52B 81 4,-2.9 4,-2.1 -2,-0.4 3,-0.4 -0.824 72.1 4.3-105.1 145.8 7.1 53.4 58.3 49 49 L S T 4 S- 0 0 31 -2,-0.3 2,-2.5 1,-0.2 -1,-0.2 0.923 121.6 -69.0 49.7 53.5 3.8 54.5 59.8 50 50 L S T 4 S+ 0 0 14 -18,-3.0 -1,-0.2 -3,-0.3 21,-0.1 -0.171 129.0 24.8 68.9 -46.9 3.0 57.0 57.0 51 51 L S T 4 S+ 0 0 76 -2,-2.5 2,-0.7 -3,-0.4 -1,-0.2 0.469 85.8 105.0-131.1 0.1 5.6 59.6 57.6 52 52 L N E < -H 48 0B 73 -4,-2.1 -4,-2.9 -3,-0.1 2,-0.1 -0.758 64.0-136.4 -89.5 116.6 8.6 58.2 59.5 53 53 L L E -H 47 0B 57 -2,-0.7 -6,-0.2 -6,-0.2 3,-0.1 -0.472 20.0-129.7 -67.3 140.0 11.6 57.8 57.1 54 54 L A > - 0 0 18 -8,-2.5 3,-0.7 1,-0.2 2,-0.5 0.034 48.6 -54.9 -74.6-165.0 13.3 54.4 57.6 55 55 L S T 3 S+ 0 0 129 1,-0.2 -1,-0.2 -10,-0.1 -10,-0.1 -0.638 118.9 3.9 -83.7 123.3 17.1 54.2 58.0 56 56 L G T 3 S+ 0 0 76 -2,-0.5 -1,-0.2 1,-0.3 -10,-0.0 0.446 85.9 134.6 90.7 -0.8 19.2 55.8 55.3 57 57 L V < - 0 0 14 -3,-0.7 -1,-0.3 -11,-0.1 -4,-0.1 -0.720 56.5-115.4 -86.7 129.9 16.5 57.3 53.1 58 58 L P > - 0 0 40 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.143 23.6-105.9 -59.3 161.1 17.3 61.0 52.1 59 59 L A T 3 S+ 0 0 97 1,-0.3 16,-0.1 15,-0.0 -2,-0.0 0.461 105.2 81.7 -68.9 -6.9 15.3 64.0 53.1 60 60 L R T 3 S+ 0 0 46 14,-0.1 15,-1.9 16,-0.1 2,-0.3 0.699 79.9 83.6 -74.1 -14.5 13.6 64.5 49.7 61 61 L F E < +D 74 0A 6 -3,-1.4 2,-0.3 13,-0.2 13,-0.2 -0.632 52.4 159.7 -91.9 145.5 11.1 61.8 50.6 62 62 L S E -D 73 0A 60 11,-1.6 11,-2.7 -2,-0.3 2,-0.3 -0.982 15.2-163.8-161.2 149.8 7.9 62.3 52.6 63 63 L G E +D 72 0A 10 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.832 12.7 157.5-132.8 172.4 4.6 60.7 53.2 64 64 L S E +D 71 0A 67 7,-1.2 7,-2.4 -2,-0.3 2,-0.3 -0.926 11.9 117.4 176.4 161.2 1.1 61.5 54.6 65 65 L G E -D 70 0A 40 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.883 27.8-148.8 151.3 178.7 -2.5 60.4 54.6 66 66 L S E > +D 69 0A 91 3,-2.0 3,-1.2 -2,-0.3 2,-0.9 -0.918 64.8 6.2-173.9 154.6 -5.3 59.1 56.8 67 67 L G E 3 S-C 29 0A 23 -38,-0.6 -38,-1.9 -2,-0.3 -40,-0.1 -0.536 131.7 -18.6 68.7-104.4 -8.4 57.0 56.4 68 68 L T E 3 S+ 0 0 60 -2,-0.9 -43,-2.5 -40,-0.2 2,-0.5 0.707 122.2 69.2-110.0 -27.0 -8.2 55.7 52.9 69 69 L S E < +CD 24 66A 74 -3,-1.2 -3,-2.0 -45,-0.2 2,-0.3 -0.864 48.6 155.5-106.9 130.7 -5.8 58.0 51.0 70 70 L Y E -CD 23 65A 10 -47,-2.5 -47,-3.0 -2,-0.5 2,-0.3 -0.924 16.0-167.7-138.9 158.9 -2.0 58.2 51.6 71 71 L S E -CD 22 64A 27 -7,-2.4 -7,-1.2 -2,-0.3 2,-0.4 -0.977 16.7-136.7-151.5 161.4 0.8 59.4 49.3 72 72 L L E -CD 21 63A 0 -51,-2.5 -51,-2.1 -2,-0.3 2,-0.4 -0.952 23.0-167.5-119.9 140.4 4.6 59.5 48.8 73 73 L T E -CD 20 62A 22 -11,-2.7 -11,-1.6 -2,-0.4 2,-0.5 -0.985 16.8-164.4-137.7 141.5 6.5 62.6 47.6 74 74 L I E -CD 19 61A 0 -55,-2.3 -55,-1.8 -2,-0.4 3,-0.3 -0.995 12.5-154.5-120.8 120.2 10.0 63.4 46.4 75 75 L S S S+ 0 0 66 -15,-1.9 2,-0.4 -2,-0.5 -1,-0.2 0.961 84.1 11.5 -60.6 -53.2 10.9 67.1 46.4 76 76 L R S S- 0 0 161 -58,-0.1 -1,-0.3 -57,-0.0 -58,-0.2 -0.938 84.1-125.6-136.0 113.6 13.5 66.8 43.6 77 77 L M - 0 0 3 -60,-3.1 -61,-1.6 -2,-0.4 2,-0.3 -0.081 27.0-174.4 -53.1 146.8 14.0 63.7 41.5 78 78 L E > - 0 0 95 -63,-0.2 3,-2.5 -62,-0.1 4,-0.2 -0.989 36.5-110.2-145.5 145.5 17.4 62.1 41.3 79 79 L A G > S+ 0 0 48 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.836 114.2 57.0 -44.2 -46.9 18.7 59.2 39.1 80 80 L E G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.465 90.0 74.8 -69.8 0.4 19.1 56.8 42.0 81 81 L D G < + 0 0 3 -3,-2.5 2,-0.6 2,-0.0 -1,-0.3 0.412 68.2 118.1 -90.3 0.4 15.4 57.2 43.0 82 82 L A < + 0 0 23 -3,-1.5 2,-0.3 -4,-0.2 22,-0.1 -0.604 42.5 90.1 -75.4 116.8 14.3 55.0 40.1 83 83 L A S S- 0 0 6 -2,-0.6 20,-2.3 20,-0.2 2,-0.4 -0.958 77.7 -68.4-179.4-174.7 12.5 51.8 41.2 84 84 L T E -FI 37 102B 29 -47,-1.6 -47,-3.0 -2,-0.3 2,-0.5 -0.850 41.5-154.2-101.0 135.4 9.2 50.3 42.0 85 85 L Y E -FI 36 101B 0 16,-2.0 16,-0.6 -2,-0.4 2,-0.4 -0.960 7.7-167.1-114.6 124.4 7.4 51.6 45.1 86 86 L Y E -F 35 0B 15 -51,-1.8 -51,-2.7 -2,-0.5 2,-0.4 -0.892 8.5-151.4-111.6 138.9 4.9 49.4 47.0 87 87 L a E -F 34 0B 0 -2,-0.4 11,-1.8 -53,-0.2 2,-0.4 -0.856 17.9-153.2-105.2 143.5 2.5 50.6 49.7 88 88 L Q E -FJ 33 97B 2 -55,-2.7 -55,-2.0 -2,-0.4 2,-0.4 -0.978 11.1-157.7-130.7 134.5 1.4 48.1 52.4 89 89 L Q E +FJ 32 96B 0 7,-2.8 7,-1.3 -2,-0.4 -57,-0.1 -0.828 20.8 159.5-103.1 136.6 -1.6 47.7 54.6 90 90 L R + 0 0 51 -59,-0.5 5,-0.1 -2,-0.4 -1,-0.1 0.143 48.2 97.8-143.7 21.2 -1.4 45.7 57.9 91 91 L S S S+ 0 0 41 -60,-0.2 2,-0.2 2,-0.0 4,-0.0 -0.101 93.2 21.7-102.1 33.9 -4.4 47.0 59.9 92 92 L S S S- 0 0 48 -3,-0.1 3,-0.1 -63,-0.0 -63,-0.0 -0.768 95.4 -52.4-163.6-153.7 -6.5 44.0 58.9 93 93 L Y S S+ 0 0 114 1,-0.3 2,-0.2 -2,-0.2 -3,-0.1 -0.904 107.8 25.9-161.8 129.5 -6.3 40.4 57.5 94 94 L P S S- 0 0 22 0, 0.0 -92,-0.3 0, 0.0 -1,-0.3 0.651 92.8-122.5 -77.7 167.7 -5.0 39.3 55.2 95 95 L I - 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