==== 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 1MRF . COMPND 2 MOLECULE: IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.R.POKKULURI,M.CYGLER . 421 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 66.5 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 . 172 40.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 45 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.1 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 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 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 . 3 2 5 5 3 9 1 0 1 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 . 0 1 5 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 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 0 122 0, 0.0 2,-0.4 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 131.1 -17.4 32.4 38.6 2 2 L V - 0 0 4 98,-0.4 2,-0.5 93,-0.1 93,-0.1 -0.680 360.0-139.2 -80.1 132.6 -16.6 33.4 42.1 3 3 L V - 0 0 81 -2,-0.4 23,-1.7 99,-0.1 2,-0.5 -0.871 13.2-159.5 -96.9 129.4 -13.8 36.0 42.1 4 4 L M E -A 25 0A 12 -2,-0.5 2,-0.5 99,-0.5 101,-0.4 -0.937 5.0-166.0-106.5 127.9 -11.1 35.5 44.8 5 5 L T E -A 24 0A 76 19,-2.5 19,-1.9 -2,-0.5 2,-0.3 -0.967 6.2-153.6-120.1 120.8 -8.9 38.6 45.7 6 6 L Q E -A 23 0A 21 -2,-0.5 17,-0.2 17,-0.2 15,-0.0 -0.711 15.0-119.9 -93.3 147.9 -5.7 38.2 47.8 7 7 L T E S+A 22 0A 84 15,-1.8 15,-2.7 -2,-0.3 2,-0.1 -0.972 81.2 13.9-138.6 124.7 -4.1 40.8 50.0 8 8 L P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.528 58.8-151.9 -98.4-172.8 -1.4 41.8 49.6 9 9 L L S S+ 0 0 135 1,-0.2 99,-2.3 98,-0.2 2,-0.4 0.796 90.0 23.4 -78.4 -29.9 0.3 41.0 46.3 10 10 L S E -d 108 0B 55 97,-0.2 -1,-0.2 80,-0.0 99,-0.2 -1.000 67.9-166.9-137.4 135.1 3.8 41.1 47.8 11 11 L L E -d 109 0B 32 97,-2.8 99,-3.1 -2,-0.4 2,-0.5 -0.889 4.0-162.1-132.4 102.5 4.7 40.5 51.5 12 12 L P E +d 110 0B 65 0, 0.0 2,-0.4 0, 0.0 99,-0.2 -0.705 24.3 166.0 -80.4 122.6 8.2 41.4 52.8 13 13 L V E -d 111 0B 8 97,-3.2 99,-1.9 -2,-0.5 3,-0.1 -0.993 33.0-123.1-148.7 137.5 8.9 39.7 56.1 14 14 L S E > -d 112 0B 38 -2,-0.4 3,-1.4 97,-0.3 69,-0.3 -0.294 43.4 -91.2 -71.2 158.6 11.8 39.0 58.3 15 15 L L T 3 S+ 0 0 89 97,-0.7 69,-0.2 1,-0.2 -1,-0.1 -0.370 113.4 23.2 -66.6 150.7 12.8 35.4 59.3 16 16 L G T 3 S+ 0 0 52 67,-3.6 -1,-0.2 1,-0.2 68,-0.1 0.228 102.4 110.4 79.3 -17.8 11.2 34.3 62.5 17 17 L D S < S- 0 0 85 -3,-1.4 66,-3.3 66,-0.2 2,-0.4 -0.115 70.4-101.3 -79.5-176.2 8.3 36.8 62.2 18 18 L Q - 0 0 147 64,-0.2 2,-0.4 -3,-0.1 63,-0.2 -0.884 27.0-159.8-113.5 143.4 4.7 36.2 61.4 19 19 L A E - B 0 80A 3 61,-2.5 61,-2.6 -2,-0.4 2,-0.4 -0.961 3.3-165.9-125.9 135.8 2.8 36.6 58.1 20 20 L S E - B 0 79A 71 -2,-0.4 2,-0.4 59,-0.2 59,-0.2 -0.988 5.6-171.6-121.8 126.3 -0.9 37.0 57.4 21 21 L I E - B 0 78A 0 57,-2.5 57,-2.6 -2,-0.4 2,-0.3 -0.971 11.9-151.5-119.2 132.3 -2.2 36.6 53.9 22 22 L S E -AB 7 77A 32 -15,-2.7 -15,-1.8 -2,-0.4 2,-0.3 -0.729 12.8-174.9-107.6 158.0 -5.9 37.5 53.2 23 23 L a E -AB 6 76A 0 53,-2.0 53,-1.8 -2,-0.3 2,-0.3 -0.958 1.8-172.3-154.9 124.7 -8.4 36.2 50.6 24 24 L R E -AB 5 75A 63 -19,-1.9 -19,-2.5 -2,-0.3 2,-0.4 -0.904 10.4-150.0-117.3 149.4 -11.9 37.4 49.9 25 25 L S E -A 4 0A 10 49,-1.4 -21,-0.2 -2,-0.3 4,-0.1 -0.902 23.5-126.2-117.4 147.5 -14.5 35.8 47.6 26 26 L S S S+ 0 0 74 -23,-1.7 2,-0.3 -2,-0.4 -22,-0.1 0.739 95.5 19.0 -61.5 -24.1 -17.2 37.8 45.7 27 27 L Q S S- 0 0 97 -24,-0.2 -1,-0.1 46,-0.1 -25,-0.0 -0.992 102.0 -67.4-148.7 158.4 -19.7 35.5 47.4 28 27AL S - 0 0 59 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.045 30.2-157.5 -46.6 129.8 -20.2 33.1 50.3 29 27BL L + 0 0 0 44,-2.5 2,-0.8 -4,-0.1 8,-0.7 0.121 54.4 121.0 -95.6 17.2 -18.2 29.9 50.1 30 27CL V B -J 36 0C 67 6,-0.2 6,-0.2 43,-0.1 5,-0.1 -0.772 57.5-143.1 -86.8 113.2 -20.5 28.0 52.4 31 27DL H > - 0 0 65 4,-3.0 3,-1.9 -2,-0.8 67,-0.1 -0.300 22.7-114.2 -68.1 156.5 -21.9 25.0 50.5 32 27EL S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 65,-0.1 -2,-0.0 0.815 117.1 65.7 -64.1 -24.1 -25.5 23.9 51.1 33 28 L N T 3 S- 0 0 85 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.404 120.4-107.3 -77.3 4.6 -24.0 20.8 52.6 34 29 L G S < S+ 0 0 49 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 -0.101 83.3 112.8 99.1 -37.1 -22.4 22.8 55.4 35 30 L N - 0 0 60 -5,-0.1 -4,-3.0 1,-0.0 2,-0.5 -0.271 56.3-145.7 -72.0 155.7 -18.8 22.7 54.4 36 31 L T B -J 30 0C 26 -6,-0.2 2,-1.7 -3,-0.1 -6,-0.2 -0.944 11.5-155.2-122.2 100.4 -16.8 25.7 53.2 37 32 L Y + 0 0 45 -8,-0.7 59,-2.0 -2,-0.5 2,-0.4 -0.544 37.8 142.2 -82.8 76.9 -14.3 24.5 50.6 38 33 L L E -E 95 0B 0 -2,-1.7 18,-2.7 57,-0.2 2,-0.3 -0.954 25.7-179.0-114.3 132.1 -11.6 27.2 50.8 39 34 L H E -E 94 0B 6 55,-2.8 55,-2.4 -2,-0.4 2,-0.4 -0.939 20.4-139.3-133.8 162.9 -8.0 26.0 50.4 40 35 L W E -EF 93 53B 0 13,-2.8 12,-2.8 -2,-0.3 13,-0.8 -0.954 16.1-174.0-127.8 134.2 -4.4 27.2 50.4 41 36 L Y E -EF 92 51B 2 51,-2.7 51,-2.1 -2,-0.4 2,-0.5 -0.901 13.4-150.0-123.8 152.1 -1.6 26.3 48.1 42 37 L L E -EF 91 50B 20 8,-2.5 8,-2.3 -2,-0.3 2,-0.6 -0.981 10.4-164.8-120.7 129.0 2.1 27.2 48.0 43 38 L Q E -E 90 0B 21 47,-2.8 47,-2.5 -2,-0.5 5,-0.1 -0.969 2.4-162.3-119.2 112.7 3.9 27.3 44.7 44 39 L K > - 0 0 42 -2,-0.6 3,-1.7 4,-0.4 45,-0.1 -0.824 44.5 -81.8 -90.6 136.9 7.6 27.3 44.9 45 40 L P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.068 116.2 12.1 -41.1 124.2 9.3 28.5 41.6 46 41 L G T 3 S+ 0 0 87 1,-0.3 2,-0.3 -3,-0.0 -3,-0.0 0.602 112.7 99.4 79.5 14.9 9.5 25.8 39.0 47 42 L Q S < S- 0 0 102 -3,-1.7 -1,-0.3 3,-0.0 3,-0.1 -0.890 77.5-105.2-131.5 158.3 7.2 23.5 40.9 48 43 L S - 0 0 23 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.418 54.6 -88.0 -75.3 155.1 3.5 22.5 40.9 49 44 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.379 44.0-151.2 -62.2 149.8 1.4 24.1 43.6 50 45 L K E -F 42 0B 54 -8,-2.3 -8,-2.5 -3,-0.1 2,-0.2 -0.992 16.7-113.7-125.9 136.6 1.3 22.0 46.8 51 46 L L E +F 41 0B 6 -2,-0.4 -10,-0.2 267,-0.2 3,-0.1 -0.456 37.0 163.6 -73.9 137.0 -1.6 22.0 49.3 52 47 L L E + 0 0 12 -12,-2.8 8,-2.7 1,-0.3 2,-0.4 0.725 69.2 16.2-109.0 -60.9 -1.2 23.4 52.8 53 48 L I E -FG 40 59B 0 -13,-0.8 -13,-2.8 6,-0.2 2,-0.3 -0.949 59.6-171.9-127.5 128.8 -4.7 23.9 54.1 54 49 L Y E >> S+ G 0 58B 40 4,-2.4 4,-1.8 -2,-0.4 3,-0.5 -0.889 72.6 14.8-117.3 149.8 -8.1 22.5 52.9 55 50 L K T 34 S- 0 0 70 -2,-0.3 2,-2.5 1,-0.2 -1,-0.2 0.965 126.7 -66.1 50.3 56.2 -11.5 23.5 54.1 56 51 L V T 34 S+ 0 0 21 -18,-2.7 -1,-0.2 -3,-0.2 21,-0.1 -0.193 126.1 14.7 68.2 -45.9 -10.2 26.6 55.9 57 52 L S T <4 S+ 0 0 68 -2,-2.5 2,-0.4 -3,-0.5 -1,-0.2 0.379 86.2 108.0-145.2 10.3 -8.1 25.0 58.6 58 53 L N E < -G 54 0B 70 -4,-1.8 -4,-2.4 -3,-0.2 2,-0.3 -0.806 60.4-131.5 -94.7 138.5 -7.2 21.4 58.2 59 54 L R E -G 53 0B 114 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.659 12.0-124.7 -93.3 142.2 -3.6 20.6 57.2 60 55 L F > - 0 0 35 -8,-2.7 3,-1.7 -2,-0.3 -1,-0.1 -0.235 57.4 -60.0 -70.7 167.3 -2.5 18.3 54.4 61 56 L S T 3 S+ 0 0 94 255,-0.3 -1,-0.2 1,-0.2 0, 0.0 -0.264 121.8 3.6 -56.0 129.0 -0.1 15.5 55.3 62 57 L G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.278 87.9 135.8 82.7 -14.2 3.1 16.6 56.8 63 58 L V < - 0 0 21 -3,-1.7 -1,-0.3 -11,-0.2 2,-0.1 -0.571 53.0-128.0 -71.8 129.7 2.3 20.4 56.8 64 59 L P > - 0 0 50 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.407 17.7-110.0 -74.5 159.2 3.5 21.8 60.2 65 60 L D T 3 S+ 0 0 124 1,-0.3 16,-0.1 -2,-0.1 -2,-0.0 0.218 101.4 89.1 -78.3 15.6 1.3 23.8 62.5 66 61 L R T 3 S+ 0 0 42 14,-0.1 15,-2.7 15,-0.1 2,-0.5 0.744 85.3 69.2 -74.9 -26.9 3.2 27.1 61.9 67 62 L F E < +C 80 0A 10 -3,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.825 67.2 163.3 -90.3 126.1 0.6 27.3 59.1 68 63 L S E -C 79 0A 45 11,-2.0 11,-2.9 -2,-0.5 2,-0.4 -0.954 23.4-146.3-140.8 153.1 -3.0 27.8 60.1 69 64 L G E +C 78 0A 9 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.944 21.5 166.2-120.6 149.9 -6.1 28.9 58.3 70 65 L S E +C 77 0A 36 7,-2.4 7,-1.9 -2,-0.4 2,-0.2 -0.889 20.7 84.2-150.2 174.6 -9.0 30.9 59.5 71 66 L G E -C 76 0A 40 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.554 43.0-134.2 119.3-179.7 -12.0 32.9 58.3 72 67 L S E > -C 75 0A 88 3,-2.7 3,-2.5 -2,-0.2 2,-1.6 -0.970 62.1 -0.9-171.9 157.1 -15.6 32.3 57.2 73 68 L G T 3 S- 0 0 16 -2,-0.3 -44,-2.5 1,-0.3 -46,-0.1 -0.373 132.9 -17.8 60.7 -86.4 -18.2 33.2 54.6 74 69 L T T 3 S+ 0 0 57 -2,-1.6 -49,-1.4 -46,-0.2 2,-0.5 0.407 122.1 77.6-129.4 -7.9 -16.1 35.4 52.3 75 70 L D E < +BC 24 72A 77 -3,-2.5 -3,-2.7 -51,-0.2 2,-0.3 -0.944 54.6 169.6-112.9 130.8 -13.2 36.5 54.5 76 71 L F E -BC 23 71A 0 -53,-1.8 -53,-2.0 -2,-0.5 2,-0.4 -1.000 16.1-159.2-143.5 146.7 -10.2 34.2 55.0 77 72 L T E -BC 22 70A 40 -7,-1.9 -7,-2.4 -2,-0.3 2,-0.5 -0.948 6.6-158.9-129.9 136.0 -6.7 34.3 56.5 78 73 L L E -BC 21 69A 0 -57,-2.6 -57,-2.5 -2,-0.4 2,-0.4 -0.966 21.1-162.3-110.1 126.4 -3.6 32.1 56.1 79 74 L K E -BC 20 68A 72 -11,-2.9 -11,-2.0 -2,-0.5 2,-0.6 -0.942 17.6-168.0-118.3 132.4 -1.2 32.6 59.0 80 75 L I E -BC 19 67A 1 -61,-2.6 -61,-2.5 -2,-0.4 3,-0.3 -0.978 10.8-162.8-113.7 107.5 2.5 31.7 59.1 81 76 L S S S+ 0 0 57 -15,-2.7 2,-0.2 -2,-0.6 -1,-0.1 0.770 77.8 13.0 -63.2 -35.5 3.5 32.0 62.8 82 77 L R S S- 0 0 63 -16,-0.1 -1,-0.2 -64,-0.1 -64,-0.2 -0.722 82.3-137.2-149.2 95.0 7.3 32.1 62.3 83 78 L V - 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