==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 13-JUN-94 1MRC . COMPND 2 MOLECULE: IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.R.POKKULURI,M.CYGLER . 420 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 67.4 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 . 169 40.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 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-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 . 57 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.4 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+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 1 0 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 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 0 PARALLEL BRIDGES PER LADDER . 4 4 5 5 6 6 0 0 0 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 2 3 1 0 0 0 0 0 0 0 0 1 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 0 136 0, 0.0 97,-0.1 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0-171.8 -16.7 32.1 39.2 2 2 L V - 0 0 3 24,-0.1 2,-0.4 99,-0.1 93,-0.1 0.522 360.0-127.9 97.4 107.8 -16.4 33.6 42.7 3 3 L V - 0 0 75 99,-0.1 23,-1.6 -2,-0.0 2,-0.5 -0.773 15.7-155.1 -92.0 134.3 -13.2 35.7 42.8 4 4 L M E -A 25 0A 12 99,-0.6 2,-0.4 -2,-0.4 21,-0.2 -0.927 13.8-169.8-103.3 124.9 -10.6 35.0 45.5 5 5 L T E -A 24 0A 80 19,-2.7 19,-2.4 -2,-0.5 2,-0.3 -0.961 5.1-154.0-120.2 139.0 -8.5 38.0 46.2 6 6 L Q E -A 23 0A 18 -2,-0.4 17,-0.2 17,-0.2 3,-0.0 -0.808 9.8-133.3-111.7 151.4 -5.4 38.0 48.3 7 7 L T E S+A 22 0A 85 15,-2.4 15,-3.1 -2,-0.3 2,-0.1 -0.962 80.4 30.1-149.9 128.7 -3.7 40.7 50.3 8 8 L P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.661 63.1-161.2 -82.7 179.0 -0.9 41.5 50.4 9 9 L L S S+ 0 0 116 1,-0.3 99,-2.4 98,-0.2 2,-0.4 0.736 86.5 23.0 -89.8 -28.8 0.5 40.6 47.0 10 10 L S E S-d 108 0B 53 97,-0.3 -1,-0.3 80,-0.0 99,-0.2 -0.994 73.2-168.2-137.6 132.3 4.1 40.6 48.3 11 11 L L E -d 109 0B 26 97,-3.2 99,-3.0 -2,-0.4 2,-0.4 -0.956 2.5-164.1-133.2 108.6 4.8 40.1 52.0 12 12 L P E +d 110 0B 68 0, 0.0 2,-0.3 0, 0.0 99,-0.2 -0.786 19.1 164.9 -90.6 136.4 8.3 40.8 53.4 13 13 L V E -d 111 0B 9 97,-2.4 99,-1.2 -2,-0.4 2,-0.1 -0.975 32.7-122.7-156.0 137.2 9.1 39.3 56.8 14 14 L S E > -d 112 0B 33 -2,-0.3 3,-1.6 97,-0.3 69,-0.3 -0.422 47.5 -82.7 -79.3 156.5 12.2 38.7 58.8 15 15 L L T 3 S+ 0 0 91 97,-0.7 69,-0.2 1,-0.2 -1,-0.1 -0.301 114.0 22.4 -59.2 139.4 13.1 35.3 60.1 16 16 L G T 3 S+ 0 0 53 67,-2.8 -1,-0.2 1,-0.3 2,-0.1 0.348 99.3 113.0 87.0 -7.7 11.4 34.2 63.3 17 17 L D S < S- 0 0 83 -3,-1.6 66,-3.1 66,-0.1 -1,-0.3 -0.441 70.8-104.7 -90.8 170.9 8.5 36.7 62.9 18 18 L Q - 0 0 157 64,-0.2 2,-0.4 -2,-0.1 63,-0.2 -0.663 30.7-159.9 -94.6 150.9 4.8 35.9 62.2 19 19 L A E - B 0 80A 4 61,-2.0 61,-2.1 -2,-0.3 2,-0.4 -0.994 2.8-161.7-135.7 137.9 3.3 36.4 58.8 20 20 L S E - B 0 79A 66 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.988 4.1-172.3-124.8 131.8 -0.4 36.9 57.9 21 21 L I E - B 0 78A 0 57,-2.4 57,-2.6 -2,-0.4 2,-0.4 -0.986 12.6-151.1-124.5 125.5 -1.8 36.4 54.4 22 22 L S E -AB 7 77A 37 -15,-3.1 -15,-2.4 -2,-0.4 2,-0.4 -0.833 13.7-178.4-105.4 141.5 -5.5 37.3 53.7 23 23 L a E -AB 6 76A 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.3 -0.999 7.5-175.7-136.2 126.1 -7.8 35.8 51.1 24 24 L R E -AB 5 75A 24 -19,-2.4 -19,-2.7 -2,-0.4 2,-0.3 -0.959 13.9-137.5-125.5 148.1 -11.4 37.1 50.7 25 25 L S E -A 4 0A 15 49,-2.3 -21,-0.2 -2,-0.3 4,-0.1 -0.779 16.2-135.1-111.6 152.2 -14.1 35.8 48.4 26 26 L S S S+ 0 0 61 -23,-1.6 2,-0.3 -2,-0.3 -22,-0.1 0.346 95.7 25.3 -78.1 3.1 -16.7 37.4 46.2 27 27 L Q S S- 0 0 96 -24,-0.2 -2,-0.1 46,-0.1 2,-0.1 -0.960 102.0 -77.0-157.3 162.7 -19.4 35.0 47.6 28 27AL S - 0 0 63 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.406 32.6-154.8 -66.5 143.1 -19.9 33.0 50.8 29 27BL L + 0 0 0 44,-1.7 8,-1.0 -4,-0.1 2,-0.6 0.375 56.9 115.4-100.9 2.5 -17.8 29.9 50.9 30 27CL V B -Q 36 0C 65 6,-0.2 6,-0.2 2,-0.0 5,-0.1 -0.652 61.3-140.1 -78.5 114.5 -20.1 28.0 53.2 31 27DL H > - 0 0 64 4,-3.5 3,-1.9 -2,-0.6 67,-0.1 -0.230 24.1-109.1 -65.8 162.4 -21.5 24.9 51.3 32 27EL S T 3 S+ 0 0 123 1,-0.3 -1,-0.1 65,-0.1 -2,-0.0 0.790 120.4 61.9 -67.5 -20.1 -25.1 24.0 51.9 33 28 L N T 3 S- 0 0 90 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.412 122.4-106.8 -84.5 4.6 -23.8 20.9 53.8 34 29 L G S < S+ 0 0 50 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.305 81.3 121.4 92.0 -10.8 -22.2 23.3 56.3 35 30 L N - 0 0 56 -5,-0.1 -4,-3.5 62,-0.0 2,-0.6 -0.578 53.3-145.9 -86.0 150.2 -18.6 22.8 55.2 36 31 L T B -Q 30 0C 27 -6,-0.2 2,-1.2 -2,-0.2 -6,-0.2 -0.984 9.8-157.4-115.8 111.7 -16.4 25.7 54.1 37 32 L Y + 0 0 45 -8,-1.0 59,-2.3 -2,-0.6 60,-0.6 -0.638 36.4 143.4 -93.5 74.8 -14.1 24.4 51.4 38 33 L L E -E 95 0B 0 -2,-1.2 18,-2.4 57,-0.2 17,-0.5 -0.924 24.4-178.1-110.8 135.6 -11.3 27.0 51.6 39 34 L H E -E 94 0B 6 55,-2.5 55,-2.4 -2,-0.4 2,-0.4 -0.949 18.6-148.7-136.8 157.8 -7.7 25.7 51.1 40 35 L W E -EF 93 53B 0 13,-2.6 12,-2.7 -2,-0.3 13,-1.1 -0.990 15.0-175.4-129.5 134.1 -4.2 27.1 51.1 41 36 L Y E -EF 92 51B 1 51,-2.3 51,-1.7 -2,-0.4 2,-0.4 -0.821 16.5-143.2-122.8 162.3 -1.3 25.8 49.0 42 37 L L E -EF 91 50B 17 8,-2.4 8,-1.7 -2,-0.3 2,-0.6 -0.992 12.9-161.9-129.0 119.4 2.4 26.8 48.9 43 38 L Q E -E 90 0B 14 47,-2.9 47,-2.3 -2,-0.4 5,-0.1 -0.923 3.8-164.0-107.4 119.1 4.1 26.8 45.5 44 39 L K > - 0 0 51 -2,-0.6 3,-1.2 4,-0.5 45,-0.1 -0.775 42.1 -76.2 -98.1 145.8 7.9 26.6 45.5 45 40 L P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.069 116.1 6.0 -42.8 128.3 9.8 27.6 42.4 46 41 L G T 3 S+ 0 0 88 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.826 114.3 103.0 62.9 33.1 9.8 24.9 39.7 47 42 L Q S < S- 0 0 110 -3,-1.2 -1,-0.2 3,-0.0 3,-0.1 -0.985 74.6-110.8-144.6 151.5 7.4 22.8 41.7 48 43 L S - 0 0 33 -2,-0.3 -4,-0.5 1,-0.1 -6,-0.1 -0.372 54.2 -85.5 -74.4 158.1 3.7 22.0 41.7 49 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.371 40.5-152.3 -67.4 148.4 1.7 23.4 44.6 50 45 L K E -F 42 0B 57 -8,-1.7 -8,-2.4 -3,-0.1 2,-0.1 -0.973 20.0-113.7-122.1 139.2 1.5 21.5 47.8 51 46 L L E +F 41 0B 7 -2,-0.4 -10,-0.2 265,-0.2 12,-0.1 -0.436 34.2 168.8 -74.1 138.2 -1.4 21.7 50.2 52 47 L L E S+ 0 0 12 -12,-2.7 8,-2.1 1,-0.4 2,-0.4 0.699 70.2 9.5-107.0 -59.0 -0.8 23.3 53.7 53 48 L I E -FG 40 59B 1 -13,-1.1 -13,-2.6 6,-0.2 -1,-0.4 -0.969 61.8-170.6-131.6 136.2 -4.3 23.6 55.0 54 49 L Y E > + G 0 58B 40 4,-2.8 4,-2.1 -2,-0.4 3,-0.4 -0.901 69.9 19.8-123.5 156.5 -7.7 22.4 53.8 55 50 L K T 4 S- 0 0 65 -17,-0.5 2,-2.3 -2,-0.3 -1,-0.2 0.936 126.0 -67.8 49.8 51.3 -11.2 23.2 55.0 56 51 L V T 4 S+ 0 0 18 -18,-2.4 -1,-0.2 -3,-0.2 21,-0.1 -0.298 126.9 16.3 73.4 -53.7 -10.0 26.4 56.7 57 52 L S T 4 S+ 0 0 73 -2,-2.3 2,-0.5 -3,-0.4 -1,-0.2 0.297 87.8 110.9-138.6 15.0 -7.9 25.0 59.5 58 53 L N E < -G 54 0B 66 -4,-2.1 -4,-2.8 10,-0.1 2,-0.2 -0.800 57.5-134.1 -97.6 132.8 -7.0 21.4 59.0 59 54 L R E -G 53 0B 119 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.2 -0.588 11.7-126.7 -87.6 144.3 -3.4 20.5 58.3 60 55 L F > - 0 0 38 -8,-2.1 3,-1.2 -2,-0.2 255,-0.1 -0.538 53.3 -70.1 -82.1 152.7 -2.3 18.1 55.6 61 56 L S T 3 S+ 0 0 115 253,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.242 120.7 12.7 -49.6 120.1 0.1 15.3 56.7 62 57 L G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -3,-0.1 -10,-0.0 -0.288 86.4 132.1 108.0 -41.7 3.5 16.6 57.6 63 58 L V < - 0 0 15 -3,-1.2 -1,-0.3 -12,-0.1 2,-0.1 -0.171 55.8-125.0 -50.6 120.7 2.7 20.3 57.7 64 59 L P > - 0 0 48 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.362 18.7-108.8 -72.2 151.3 4.1 21.9 61.0 65 60 L D T 3 S+ 0 0 126 1,-0.3 -2,-0.1 -2,-0.1 16,-0.0 0.395 103.4 87.2 -56.9 -5.1 2.0 23.8 63.5 66 61 L R T 3 S+ 0 0 34 14,-0.1 15,-1.3 16,-0.1 2,-0.4 0.897 83.3 72.1 -61.4 -37.5 3.7 27.1 62.5 67 62 L F E < +C 80 0A 10 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.663 62.8 166.6 -82.3 129.4 0.9 27.2 59.9 68 63 L S E -C 79 0A 44 11,-1.8 11,-2.5 -2,-0.4 2,-0.4 -0.998 19.4-152.6-143.8 138.4 -2.7 27.9 61.0 69 64 L G E +C 78 0A 8 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.880 19.3 165.4-113.3 147.5 -5.8 28.8 59.1 70 65 L S E +C 77 0A 42 7,-1.4 7,-2.1 -2,-0.4 2,-0.2 -0.884 17.6 101.1-146.5 174.1 -8.7 30.8 60.3 71 66 L G E -C 76 0A 36 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.747 39.2-134.5 135.9-178.7 -11.7 32.5 58.8 72 67 L S E > -C 75 0A 91 3,-1.7 3,-2.1 -2,-0.2 2,-1.2 -0.913 63.1 -21.4-175.8 141.7 -15.4 32.3 58.0 73 68 L G T 3 S- 0 0 16 -2,-0.3 -44,-1.7 1,-0.3 -46,-0.1 -0.314 131.7 -7.9 56.3 -91.3 -17.8 32.9 55.2 74 69 L T T 3 S+ 0 0 57 -2,-1.2 -49,-2.3 -46,-0.2 2,-0.5 0.539 121.1 70.3-115.1 -14.0 -15.8 35.3 53.0 75 70 L D E < +BC 24 72A 97 -3,-2.1 -3,-1.7 -51,-0.2 2,-0.3 -0.934 55.5 171.1-116.6 117.6 -12.7 36.3 55.0 76 71 L F E -BC 23 71A 0 -53,-2.8 -53,-2.6 -2,-0.5 2,-0.4 -0.918 12.6-159.8-125.1 149.5 -9.9 33.8 55.6 77 72 L T E -BC 22 70A 37 -7,-2.1 -7,-1.4 -2,-0.3 2,-0.5 -0.979 9.6-159.1-136.9 127.2 -6.3 34.1 57.0 78 73 L L E -BC 21 69A 0 -57,-2.6 -57,-2.4 -2,-0.4 2,-0.4 -0.865 20.7-169.5 -99.4 125.4 -3.1 32.0 56.8 79 74 L K E -BC 20 68A 73 -11,-2.5 -11,-1.8 -2,-0.5 2,-0.5 -0.908 11.8-159.3-116.2 147.2 -0.8 32.8 59.7 80 75 L I E -BC 19 67A 1 -61,-2.1 -61,-2.0 -2,-0.4 3,-0.3 -1.000 4.0-159.6-125.7 123.7 2.8 31.6 60.0 81 76 L S S S+ 0 0 76 -15,-1.3 2,-0.3 -2,-0.5 -1,-0.1 0.883 81.6 11.6 -71.7 -45.8 4.2 31.6 63.6 82 77 L R S S- 0 0 32 -64,-0.1 -1,-0.2 -63,-0.0 -64,-0.2 -0.766 79.8-143.2-138.1 91.6 8.0 31.6 62.9 83 78 L V - 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