==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 30-APR-92 1BBJ . COMPND 2 MOLECULE: IGG4-KAPPA B72.3 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.BRADY,R.E.HUBBARD,R.J.TODD . 846 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37180.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 328 38.8 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 . 4 0.5 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 . 112 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 . 2 0 2 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 . 10 6 10 8 8 16 0 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 . 0 0 8 4 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 D 0 0 138 0, 0.0 2,-0.4 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 127.7 -9.9 90.7 72.2 2 2 L I - 0 0 10 93,-0.4 2,-0.4 91,-0.1 95,-0.4 -0.961 360.0-143.9-142.5 113.3 -10.2 86.9 72.5 3 3 L Q - 0 0 109 -2,-0.4 23,-1.7 93,-0.1 2,-0.4 -0.714 3.8-151.6 -96.6 133.1 -10.6 85.6 76.0 4 4 L M E -A 25 0A 9 -2,-0.4 2,-0.5 94,-0.3 96,-0.3 -0.819 11.6-156.1 -95.4 139.8 -9.0 82.4 77.3 5 5 L T E -A 24 0A 61 19,-2.3 19,-3.2 -2,-0.4 2,-0.4 -0.974 5.9-154.6-116.8 124.3 -11.0 80.7 80.1 6 6 L Q E -A 23 0A 22 -2,-0.5 17,-0.3 17,-0.3 94,-0.0 -0.802 12.3-140.4-101.7 142.2 -9.1 78.4 82.5 7 7 L S E +A 22 0A 69 15,-3.5 15,-2.7 -2,-0.4 2,-0.2 -0.960 69.3 31.4-148.5 137.6 -10.7 75.6 84.4 8 8 L P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.564 59.8-161.8 -84.9 178.8 -10.5 74.5 87.1 9 9 L A S S+ 0 0 68 1,-0.2 94,-2.4 -2,-0.2 2,-0.4 0.895 74.2 20.7 -86.0 -46.1 -9.6 77.3 89.4 10 10 L S E -d 103 0B 95 92,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.962 60.6-175.5-129.8 149.7 -8.2 75.3 92.4 11 11 L L E -d 104 0B 36 92,-1.9 94,-2.9 -2,-0.4 2,-0.6 -0.982 11.3-174.8-147.2 119.0 -6.9 71.8 92.8 12 12 L S E +d 105 0B 52 -2,-0.4 2,-0.4 92,-0.2 94,-0.2 -0.977 29.5 164.2-113.5 104.5 -5.8 70.1 95.9 13 13 L V E -d 106 0B 30 92,-1.7 94,-0.7 -2,-0.6 3,-0.1 -0.995 35.5-111.9-139.5 137.6 -4.4 66.8 94.5 14 14 L S E > -d 107 0B 44 -2,-0.4 3,-1.3 92,-0.3 64,-0.2 -0.087 40.6 -92.2 -58.2 155.4 -2.3 64.1 96.1 15 15 L V T 3 S+ 0 0 71 92,-0.9 2,-0.2 1,-0.2 64,-0.2 -0.211 112.4 29.6 -63.3 161.3 1.3 63.4 95.0 16 16 L G T 3 S+ 0 0 34 62,-3.0 -1,-0.2 1,-0.2 63,-0.1 0.184 96.9 113.5 73.0 -23.3 1.5 60.6 92.4 17 17 L E < - 0 0 109 -3,-1.3 61,-2.8 -2,-0.2 2,-0.5 -0.174 69.4-112.9 -76.8-179.8 -1.9 61.5 90.9 18 18 L T - 0 0 67 59,-0.2 2,-0.3 -3,-0.1 58,-0.2 -0.974 27.1-157.0-120.3 123.7 -2.4 63.0 87.5 19 19 L V E - B 0 75A 4 56,-2.1 56,-1.9 -2,-0.5 2,-0.5 -0.771 6.5-165.4 -99.1 149.2 -3.7 66.5 87.0 20 20 L T E - B 0 74A 58 -2,-0.3 2,-0.5 54,-0.2 54,-0.2 -0.956 5.7-177.7-142.2 112.8 -5.6 68.0 84.0 21 21 L I E - B 0 73A 0 52,-2.5 52,-2.9 -2,-0.5 2,-0.3 -0.955 12.4-161.9-109.9 122.8 -5.9 71.7 83.8 22 22 L T E -AB 7 72A 39 -15,-2.7 -15,-3.5 -2,-0.5 2,-0.4 -0.798 11.4-170.6-110.8 151.7 -7.9 73.0 80.7 23 23 L a E -AB 6 71A 0 48,-2.0 48,-1.5 -2,-0.3 2,-0.5 -0.974 8.5-159.0-142.4 113.1 -8.0 76.3 79.1 24 24 L R E -AB 5 70A 139 -19,-3.2 -19,-2.3 -2,-0.4 46,-0.2 -0.845 12.3-139.1-103.9 127.6 -10.6 77.2 76.4 25 25 L A E -A 4 0A 1 44,-2.4 -21,-0.2 -2,-0.5 3,-0.1 -0.593 18.4-126.2 -82.4 146.8 -10.1 80.1 73.9 26 26 L S S S- 0 0 44 -23,-1.7 2,-0.3 -2,-0.2 -1,-0.1 0.618 95.0 -4.5 -65.6 -17.1 -13.2 82.3 73.2 27 27 L E S S- 0 0 115 -24,-0.1 2,-1.3 41,-0.1 -25,-0.0 -0.889 114.3 -47.0-160.6-164.9 -12.6 81.7 69.5 28 28 L N + 0 0 50 -2,-0.3 41,-0.2 2,-0.1 2,-0.2 -0.317 41.8 179.5 -97.1 74.6 -9.8 79.8 67.7 29 29 L I - 0 0 0 -2,-1.3 2,-1.6 39,-0.2 -4,-0.1 -0.610 41.5-124.2 -37.5 128.1 -5.9 80.6 68.8 30 30 L Y - 0 0 135 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.408 63.6 -61.4 -92.6 63.8 -4.2 78.2 66.3 31 31 L S S S+ 0 0 41 -2,-1.6 2,-0.6 1,-0.2 -1,-0.2 0.826 100.3 132.9 61.1 39.1 -2.2 76.3 68.9 32 32 L N + 0 0 43 18,-0.1 59,-1.7 19,-0.1 60,-0.3 -0.902 33.0 126.8-113.5 89.3 -0.3 79.4 69.9 33 33 L L E -E 90 0B 0 -2,-0.6 18,-1.3 57,-0.3 17,-0.4 -0.895 41.3-160.5-145.3 136.3 -0.8 79.0 73.6 34 34 L A E -E 89 0B 0 55,-1.8 55,-2.4 -2,-0.3 2,-0.4 -0.990 7.7-148.4-124.7 155.5 1.8 78.9 76.3 35 35 L W E -EF 88 48B 0 13,-1.5 12,-2.5 -2,-0.4 13,-0.9 -0.972 17.1-170.6-118.6 146.6 1.5 77.5 79.7 36 36 L Y E -EF 87 46B 0 51,-3.2 51,-2.5 -2,-0.4 2,-0.5 -0.959 17.1-152.4-138.2 147.2 3.2 78.9 82.7 37 37 L Q E -EF 86 45B 28 8,-1.7 8,-2.1 -2,-0.4 2,-0.4 -0.991 15.4-172.0-116.4 126.3 3.8 78.0 86.2 38 38 L Q E -E 85 0B 11 47,-3.7 47,-2.9 -2,-0.5 5,-0.1 -0.981 3.8-166.0-123.0 133.0 4.3 80.8 88.7 39 39 L K - 0 0 62 -2,-0.4 -1,-0.2 4,-0.4 46,-0.1 0.892 51.1 -53.2 -96.9 -82.4 5.4 80.1 92.2 40 40 L Q S S- 0 0 128 3,-0.1 3,-0.1 44,-0.1 44,-0.0 0.591 117.7 -4.6-151.3 11.8 5.1 83.0 94.9 41 41 L G S S+ 0 0 58 2,-0.1 2,-0.3 0, 0.0 -3,-0.0 0.107 109.8 107.3 170.0 39.0 6.8 86.2 94.2 42 42 L K S S- 0 0 102 1,-0.1 3,-0.1 3,-0.0 276,-0.1 -0.832 73.1 -84.6-148.3 162.9 8.4 85.3 91.0 43 43 L S - 0 0 17 -2,-0.3 -4,-0.4 1,-0.1 -3,-0.1 -0.338 53.0-108.1 -46.5 133.0 8.7 85.4 87.4 44 44 L P - 0 0 1 0, 0.0 272,-0.5 0, 0.0 2,-0.4 -0.347 32.9-140.3 -56.7 149.6 6.5 82.9 85.5 45 45 L Q E -F 37 0B 97 -8,-2.1 -8,-1.7 -3,-0.1 2,-0.6 -0.936 16.9-111.9-117.2 149.2 8.4 79.9 83.9 46 46 L L E +F 36 0B 35 -2,-0.4 11,-0.2 -10,-0.2 -10,-0.2 -0.659 37.8 165.9 -81.7 118.7 7.7 78.5 80.5 47 47 L L E + 0 0 7 -12,-2.5 8,-3.7 -2,-0.6 2,-0.4 0.882 69.8 2.5 -91.3 -58.9 6.3 75.0 80.6 48 48 L V E -FG 35 54B 0 -13,-0.9 -13,-1.5 6,-0.2 3,-0.3 -0.980 60.4-167.6-142.1 127.1 5.0 74.6 77.1 49 49 L Y E >> S+ G 0 53B 87 4,-1.4 4,-1.8 -2,-0.4 3,-1.2 -0.642 73.0 26.9-101.4 159.8 5.1 76.8 74.1 50 50 L A T 34 S- 0 0 29 -17,-0.4 -1,-0.2 -2,-0.2 -16,-0.1 0.851 123.3 -73.4 54.6 42.2 3.2 76.4 70.8 51 51 L A T 34 S+ 0 0 2 -18,-1.3 -1,-0.2 -3,-0.3 21,-0.2 0.648 127.8 17.6 52.0 26.5 0.3 74.4 72.5 52 52 L T T <4 S+ 0 0 31 -3,-1.2 12,-0.6 1,-0.3 2,-0.4 0.296 90.0 115.3 169.0 -10.8 2.2 71.1 73.0 53 53 L N E < -G 49 0B 62 -4,-1.8 -4,-1.4 10,-0.1 2,-0.5 -0.680 61.9-128.2 -84.3 129.9 5.9 71.8 72.8 54 54 L L E -G 48 0B 54 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.669 20.4-124.8 -80.0 135.1 7.9 71.3 76.0 55 55 L A > - 0 0 10 -8,-3.7 3,-2.2 -2,-0.5 -1,-0.1 -0.308 37.9 -90.5 -82.8 150.7 10.1 74.1 77.1 56 56 L D T 3 S+ 0 0 168 1,-0.3 -1,-0.1 -2,-0.1 -9,-0.1 0.605 115.0 26.8 -33.0 -47.9 13.7 73.4 77.7 57 57 L G T 3 S+ 0 0 70 -11,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.446 89.7 121.5-103.6 7.4 14.1 72.3 81.4 58 58 L V < - 0 0 25 -3,-2.2 2,-0.4 -11,-0.2 -4,-0.0 -0.387 64.0-109.4 -77.3 140.8 10.6 71.0 82.0 59 59 L P > - 0 0 49 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.588 19.5-117.5 -69.1 141.5 10.1 67.5 83.1 60 60 L S T 3 S+ 0 0 47 -2,-0.4 693,-0.3 1,-0.3 -2,-0.1 0.418 105.3 79.9 -41.8 -19.8 8.7 64.8 81.0 61 61 L R T 3 S+ 0 0 26 16,-0.1 15,-2.3 14,-0.1 2,-0.4 0.504 83.3 76.4 -78.9 -3.2 5.8 64.5 83.4 62 62 L F E < +C 75 0A 6 -3,-2.1 2,-0.4 13,-0.2 13,-0.2 -0.900 60.3 179.3-105.0 132.1 4.2 67.5 81.8 63 63 L S E -C 74 0A 11 11,-2.3 11,-1.9 -2,-0.4 2,-0.5 -0.998 22.2-139.0-135.7 144.8 2.5 67.4 78.4 64 64 L G E +C 73 0A 0 -12,-0.6 2,-0.3 -2,-0.4 9,-0.2 -0.825 28.9 174.4 -94.2 129.6 0.7 70.0 76.3 65 65 L S E +C 72 0A 29 7,-2.5 7,-2.6 -2,-0.5 2,-0.2 -0.897 22.5 73.7-127.1 162.3 -2.6 68.8 74.6 66 66 L G E -C 71 0A 30 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.468 34.3-160.6 125.1 167.1 -5.1 70.6 72.6 67 67 L S E > +C 70 0A 83 3,-1.9 2,-2.6 -2,-0.2 3,-2.0 -0.942 66.9 15.3-169.4 166.7 -6.3 72.2 69.4 68 68 L G T 3 S- 0 0 30 -2,-0.3 -39,-0.2 1,-0.3 -37,-0.1 -0.262 132.1 -30.8 60.0 -73.9 -8.9 74.7 68.1 69 69 L T T 3 S+ 0 0 53 -2,-2.6 -44,-2.4 1,-0.2 2,-0.6 0.381 120.6 81.1-152.3 -12.4 -10.0 76.1 71.4 70 70 L Q E < +BC 24 67A 108 -3,-2.0 -3,-1.9 -46,-0.2 2,-0.3 -0.916 53.7 169.1-110.1 106.2 -9.6 73.4 74.1 71 71 L Y E -BC 23 66A 0 -48,-1.5 -48,-2.0 -2,-0.6 2,-0.3 -0.882 12.3-161.0-113.2 165.0 -6.1 73.2 75.2 72 72 L S E -BC 22 65A 17 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.5 -0.998 17.9-151.7-151.5 140.3 -4.8 71.2 78.3 73 73 L L E -BC 21 64A 0 -52,-2.9 -52,-2.5 -2,-0.3 2,-0.4 -0.936 21.6-168.8-107.6 133.7 -1.8 70.9 80.7 74 74 L K E -BC 20 63A 91 -11,-1.9 -11,-2.3 -2,-0.5 2,-0.5 -0.993 11.7-174.0-126.9 126.5 -1.4 67.4 82.0 75 75 L I E -BC 19 62A 0 -56,-1.9 -56,-2.1 -2,-0.4 3,-0.3 -0.967 9.7-176.6-109.4 128.5 1.0 66.7 84.9 76 76 L N S S+ 0 0 21 -15,-2.3 2,-0.9 -2,-0.5 -1,-0.1 0.868 71.7 32.4-108.2 -44.4 1.1 62.9 85.4 77 77 L S S S- 0 0 34 -16,-0.2 -1,-0.2 -59,-0.1 -59,-0.2 -0.759 89.6-152.6-104.6 84.5 3.3 61.8 88.4 78 78 L L - 0 0 1 -61,-2.8 -62,-3.0 -2,-0.9 2,-0.2 -0.268 15.0-162.3 -53.0 133.7 2.4 64.9 90.3 79 79 L Q > - 0 0 73 -64,-0.2 3,-0.9 -63,-0.1 -1,-0.1 -0.751 33.7 -96.0-119.8 176.3 5.2 65.8 92.7 80 80 L S G > S+ 0 0 27 1,-0.3 2,-1.3 -2,-0.2 3,-0.5 0.903 119.4 53.8 -58.7 -41.4 5.7 67.9 95.8 81 81 L E G 3 S+ 0 0 71 1,-0.2 -1,-0.3 87,-0.1 87,-0.1 -0.229 83.5 87.6 -91.6 54.4 7.1 70.8 93.8 82 82 L D G < + 0 0 5 -2,-1.3 -1,-0.2 -3,-0.9 2,-0.1 0.064 60.3 110.6-127.9 20.5 4.2 71.1 91.4 83 83 L F < + 0 0 16 -3,-0.5 2,-0.2 83,-0.1 22,-0.2 -0.422 45.2 75.5 -83.0 176.9 2.2 73.4 93.5 84 84 L G E S- H 0 104B 3 20,-2.0 20,-2.7 -2,-0.1 2,-0.4 -0.722 84.0 -49.2 116.5-174.9 1.8 76.9 92.3 85 85 L S E -EH 38 103B 11 -47,-2.9 -47,-3.7 -2,-0.2 2,-0.4 -0.837 41.3-158.7-109.1 143.5 -0.3 78.7 89.8 86 86 L Y E -EH 37 102B 0 16,-2.4 16,-1.3 -2,-0.4 2,-0.4 -0.958 11.7-175.5-116.8 137.2 -0.5 77.7 86.2 87 87 L Y E -E 36 0B 0 -51,-2.5 -51,-3.2 -2,-0.4 2,-0.4 -0.982 13.9-149.7-134.4 144.9 -1.5 80.2 83.6 88 88 L a E -E 35 0B 0 -2,-0.4 11,-2.5 -53,-0.3 2,-0.4 -0.901 13.2-168.5-111.1 145.8 -2.1 79.8 79.9 89 89 L Q E -EI 34 98B 4 -55,-2.4 -55,-1.8 -2,-0.4 2,-0.5 -0.996 12.5-141.1-135.3 139.9 -1.5 82.7 77.4 90 90 L H E -E 33 0B 0 7,-1.9 -57,-0.3 -2,-0.4 -88,-0.1 -0.863 10.2-169.6-107.5 133.2 -2.6 82.9 73.8 91 91 L F + 0 0 10 -59,-1.7 2,-0.6 -2,-0.5 -58,-0.1 -0.057 54.2 95.5-117.2 38.1 -0.3 84.5 71.2 92 92 L W S S+ 0 0 114 1,-0.3 -60,-0.1 -60,-0.3 -61,-0.1 -0.982 86.1 7.1-130.8 117.8 -2.3 84.8 68.2 93 93 L G S S- 0 0 39 -2,-0.6 -1,-0.3 3,-0.1 -91,-0.1 0.742 97.6 -75.5 84.5 112.0 -4.0 88.0 67.6 94 94 L T S S+ 0 0 56 -3,-0.1 -3,-0.0 2,-0.1 179,-0.0 -0.429 108.0 63.5 -69.3 151.9 -3.2 90.9 69.8 95 95 L P S S- 0 0 16 0, 0.0 2,-2.1 0, 0.0 -93,-0.4 0.555 79.0-147.9 -70.6 139.0 -4.2 91.5 72.6 96 96 L Y - 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