==== 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 1MRE . COMPND 2 MOLECULE: IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.R.POKKULURI,M.CYGLER . 426 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 67.6 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 . 171 40.1 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 . 54 12.7 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 . 12 2.8 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 . 4 4 5 4 5 8 0 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 4 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 0 137 0, 0.0 2,-0.6 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0 113.1 -17.6 31.9 38.3 2 2 L V - 0 0 2 98,-0.5 2,-0.4 96,-0.1 93,-0.1 -0.822 360.0-136.1 -93.1 117.5 -16.8 33.1 41.8 3 3 L V - 0 0 84 -2,-0.6 23,-1.9 99,-0.0 2,-0.4 -0.643 14.3-157.4 -79.1 123.5 -14.1 35.7 41.9 4 4 L M E -A 25 0A 13 99,-0.5 2,-0.5 -2,-0.4 21,-0.2 -0.891 7.2-162.3 -98.4 132.9 -11.4 35.2 44.6 5 5 L T E -A 24 0A 64 19,-3.5 19,-2.4 -2,-0.4 2,-0.3 -0.954 2.6-160.9-122.9 114.5 -9.5 38.3 45.6 6 6 L Q E -A 23 0A 19 -2,-0.5 17,-0.2 17,-0.2 86,-0.0 -0.693 12.3-129.6 -97.4 148.0 -6.2 38.1 47.5 7 7 L T E S+A 22 0A 53 15,-1.7 15,-3.0 -2,-0.3 2,-0.1 -0.983 75.9 22.6-147.0 133.0 -4.5 40.8 49.6 8 8 L P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.583 63.8-148.9 -86.2-177.5 -1.8 41.9 49.5 9 9 L L S S+ 0 0 146 1,-0.3 99,-2.2 98,-0.2 2,-0.3 0.841 86.6 11.0 -78.2 -37.0 -0.2 41.2 46.2 10 10 L S E -d 108 0B 55 97,-0.3 -1,-0.3 80,-0.0 99,-0.2 -0.992 68.7-157.2-140.9 148.0 3.3 40.9 47.7 11 11 L L E -d 109 0B 29 97,-3.2 99,-2.8 -2,-0.3 2,-0.4 -0.886 1.8-160.5-135.3 100.2 4.4 40.6 51.3 12 12 L P E +d 110 0B 65 0, 0.0 2,-0.3 0, 0.0 99,-0.2 -0.677 28.0 162.0 -77.2 132.4 7.9 41.6 52.5 13 13 L V E -d 111 0B 6 97,-2.7 99,-1.9 -2,-0.4 2,-0.1 -0.978 34.7-121.5-156.1 140.6 8.5 40.0 55.9 14 14 L S E > -d 112 0B 39 -2,-0.3 3,-1.2 97,-0.3 69,-0.3 -0.459 41.2 -92.8 -80.5 155.6 11.5 39.2 58.1 15 15 L L T 3 S+ 0 0 87 97,-0.6 69,-0.2 1,-0.2 -1,-0.1 -0.393 112.5 28.0 -67.4 144.9 12.4 35.7 59.2 16 16 L G T 3 S+ 0 0 47 67,-2.5 -1,-0.2 1,-0.3 68,-0.1 -0.128 99.9 107.5 96.2 -36.3 10.9 34.9 62.6 17 17 L D S < S- 0 0 91 -3,-1.2 66,-3.0 65,-0.2 -1,-0.3 -0.029 72.4-101.1 -69.9 178.0 7.9 37.3 62.2 18 18 L Q - 0 0 148 64,-0.2 2,-0.3 -3,-0.1 63,-0.2 -0.750 33.3-167.5-102.3 146.8 4.2 36.6 61.7 19 19 L A E - B 0 80A 5 61,-2.5 61,-2.6 -2,-0.3 2,-0.4 -0.994 5.8-168.8-138.6 139.6 2.5 36.9 58.3 20 20 L S E - B 0 79A 66 -2,-0.3 2,-0.4 59,-0.2 59,-0.2 -0.995 2.9-165.5-132.9 135.2 -1.1 36.9 57.2 21 21 L I E - B 0 78A 0 57,-2.4 57,-2.1 -2,-0.4 2,-0.2 -0.965 14.8-150.3-117.7 133.0 -2.6 36.6 53.7 22 22 L S E -AB 7 77A 31 -15,-3.0 -15,-1.7 -2,-0.4 2,-0.3 -0.669 11.6-172.0-106.7 160.8 -6.2 37.5 53.0 23 23 L a E -AB 6 76A 0 53,-1.8 53,-2.0 -17,-0.2 2,-0.3 -0.953 0.6-172.2-154.8 124.0 -8.7 36.2 50.5 24 24 L R E -AB 5 75A 91 -19,-2.4 -19,-3.5 -2,-0.3 2,-0.3 -0.904 10.4-152.9-114.0 148.4 -12.2 37.5 49.7 25 25 L S E -A 4 0A 11 49,-1.3 -21,-0.2 -2,-0.3 4,-0.1 -0.922 22.5-126.0-123.0 151.8 -14.8 35.8 47.4 26 26 L S S S+ 0 0 62 -23,-1.9 2,-0.3 -2,-0.3 -22,-0.1 0.766 96.4 25.7 -62.4 -30.2 -17.6 37.3 45.4 27 27 L Q S S- 0 0 88 -24,-0.2 -1,-0.0 46,-0.1 -25,-0.0 -0.933 101.3 -81.6-132.6 159.7 -20.2 34.9 46.9 28 27AL S - 0 0 58 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.288 32.1-147.2 -59.6 140.1 -20.4 33.0 50.2 29 27BL L + 0 0 0 44,-2.9 8,-0.9 -4,-0.1 2,-0.5 0.181 58.6 119.4 -97.7 17.2 -18.4 29.9 50.1 30 27CL V B -Q 36 0C 65 6,-0.2 6,-0.2 43,-0.1 2,-0.1 -0.743 57.5-140.3 -86.7 124.3 -20.7 27.9 52.4 31 27DL H > - 0 0 63 4,-3.4 3,-2.3 -2,-0.5 -2,-0.1 -0.453 23.2-112.1 -79.9 154.3 -22.1 24.9 50.6 32 27EL S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.710 118.3 64.3 -61.3 -13.5 -25.7 23.8 51.1 33 28 L N T 3 S- 0 0 86 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.222 120.8-106.4 -93.2 15.2 -24.2 20.7 52.8 34 29 L G S < S+ 0 0 55 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.0 -0.030 83.4 113.9 89.7 -32.2 -22.8 22.9 55.6 35 30 L N - 0 0 63 -5,-0.1 -4,-3.4 -2,-0.1 2,-0.5 -0.282 57.0-142.5 -75.0 157.3 -19.1 22.8 54.6 36 31 L T B -Q 30 0C 28 -6,-0.2 2,-1.3 -3,-0.1 -6,-0.2 -0.976 9.7-158.0-121.2 110.2 -17.0 25.7 53.3 37 32 L Y + 0 0 45 -8,-0.9 59,-1.9 -2,-0.5 60,-0.5 -0.531 38.7 138.3 -91.9 67.4 -14.6 24.6 50.6 38 33 L L E -E 95 0B 0 -2,-1.3 18,-3.1 57,-0.2 17,-0.3 -0.949 28.7-178.7-109.5 131.2 -11.9 27.3 50.7 39 34 L H E -E 94 0B 7 55,-2.7 55,-2.1 -2,-0.5 2,-0.4 -0.829 18.8-139.2-126.7 169.7 -8.3 25.9 50.4 40 35 L W E -EF 93 53B 0 13,-2.7 12,-2.8 -2,-0.3 13,-0.6 -0.996 17.5-177.6-136.2 133.3 -4.7 27.3 50.4 41 36 L Y E -EF 92 51B 2 51,-2.7 51,-1.8 -2,-0.4 2,-0.4 -0.886 14.4-150.6-127.7 161.1 -1.8 26.3 48.2 42 37 L L E -EF 91 50B 19 8,-2.6 8,-1.9 -2,-0.3 2,-0.5 -0.991 8.8-165.7-130.9 131.5 1.9 27.3 47.9 43 38 L Q E -E 90 0B 9 47,-2.6 47,-2.1 -2,-0.4 5,-0.1 -0.974 4.8-159.3-123.6 116.4 3.8 27.2 44.7 44 39 L K > - 0 0 60 -2,-0.5 3,-1.7 4,-0.4 45,-0.1 -0.762 45.9 -76.5 -90.0 141.6 7.5 27.4 44.8 45 40 L P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.011 117.6 10.6 -40.2 128.4 9.2 28.5 41.5 46 41 L G T 3 S+ 0 0 88 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.628 113.9 97.1 74.1 15.4 9.3 25.8 38.8 47 42 L Q S < S- 0 0 101 -3,-1.7 -1,-0.3 3,-0.0 3,-0.1 -0.827 76.0-103.6-131.2 166.6 7.0 23.6 40.8 48 43 L S - 0 0 20 -2,-0.3 -4,-0.4 1,-0.1 -6,-0.1 -0.483 53.4 -82.4 -84.8 158.9 3.3 22.7 40.9 49 44 L P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.261 42.9-152.1 -60.6 151.1 1.1 24.0 43.7 50 45 L K E -F 42 0B 53 -8,-1.9 -8,-2.6 -3,-0.1 2,-0.2 -0.999 16.3-119.2-127.7 133.3 1.1 22.2 47.0 51 46 L L E +F 41 0B 6 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.489 35.9 163.4 -74.5 133.6 -1.8 22.1 49.4 52 47 L L E + 0 0 13 -12,-2.8 8,-2.5 1,-0.4 2,-0.4 0.690 69.4 15.7-107.5 -68.4 -1.3 23.5 52.9 53 48 L I E -FG 40 59B 0 -13,-0.6 -13,-2.7 6,-0.2 -1,-0.4 -0.867 62.8-170.8-114.2 137.2 -4.9 24.0 54.3 54 49 L Y E > S+ G 0 58B 36 4,-2.3 4,-1.6 -2,-0.4 3,-0.3 -0.971 70.9 14.7-126.4 145.1 -8.2 22.5 53.0 55 50 L K T 4 S- 0 0 71 -2,-0.4 2,-2.4 -17,-0.3 3,-0.3 0.958 125.9 -66.5 56.9 54.6 -11.7 23.4 54.1 56 51 L V T 4 S+ 0 0 21 -18,-3.1 -1,-0.2 1,-0.2 -19,-0.1 -0.327 126.9 16.9 70.5 -54.0 -10.6 26.6 55.9 57 52 L S T 4 S+ 0 0 71 -2,-2.4 2,-0.3 -3,-0.3 12,-0.3 0.517 86.3 107.3-132.2 -2.4 -8.5 25.1 58.7 58 53 L N E < -G 54 0B 69 -4,-1.6 -4,-2.3 -3,-0.3 2,-0.3 -0.626 59.1-133.9 -83.5 137.2 -7.4 21.5 58.2 59 54 L R E -G 53 0B 118 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.669 15.1-124.7 -90.1 144.7 -3.7 20.9 57.5 60 55 L F > - 0 0 33 -8,-2.5 3,-2.2 -2,-0.3 -1,-0.1 -0.385 55.3 -57.6 -79.6 165.7 -2.6 18.5 54.7 61 56 L S T 3 S+ 0 0 90 1,-0.3 -1,-0.2 258,-0.3 0, 0.0 -0.128 122.7 1.4 -49.4 127.3 -0.2 15.6 55.6 62 57 L G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.317 89.2 138.6 78.7 -9.4 3.1 16.8 57.1 63 58 L V < - 0 0 19 -3,-2.2 -1,-0.2 -11,-0.2 -4,-0.1 -0.569 51.6-125.4 -74.1 127.1 2.2 20.5 57.1 64 59 L P > - 0 0 52 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 -0.325 16.6-110.0 -70.9 155.0 3.4 22.1 60.4 65 60 L D T 3 S+ 0 0 127 1,-0.3 16,-0.1 -2,-0.1 -2,-0.0 0.404 103.0 86.1 -67.6 0.1 1.2 24.1 62.9 66 61 L R T 3 S+ 0 0 31 14,-0.1 15,-2.5 1,-0.1 2,-0.6 0.722 85.2 72.7 -67.5 -21.6 2.9 27.4 62.1 67 62 L F E < +C 80 0A 10 -3,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.862 63.4 160.7 -97.8 119.0 0.2 27.4 59.3 68 63 L S E -C 79 0A 59 11,-1.9 11,-2.8 -2,-0.6 2,-0.4 -0.939 21.7-151.9-133.9 154.6 -3.3 28.0 60.4 69 64 L G E +C 78 0A 10 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.959 18.2 166.5-127.8 150.2 -6.3 29.0 58.4 70 65 L S E +C 77 0A 43 7,-2.8 7,-2.8 -2,-0.4 2,-0.2 -0.955 14.8 100.6-154.8 165.1 -9.4 30.9 59.5 71 66 L G E -C 76 0A 43 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.769 38.4-125.8 144.0-179.9 -12.4 32.8 58.1 72 67 L S E > -C 75 0A 94 3,-2.7 3,-2.3 -2,-0.2 2,-1.6 -0.976 63.1 -21.5-165.2 143.6 -16.0 32.6 57.3 73 68 L G T 3 S- 0 0 15 -2,-0.3 -44,-2.9 1,-0.3 -46,-0.1 -0.335 131.4 -11.8 61.1 -86.0 -18.5 33.2 54.4 74 69 L T T 3 S+ 0 0 49 -2,-1.6 -49,-1.3 -46,-0.2 2,-0.4 0.505 121.7 75.4-122.9 -15.5 -16.5 35.4 52.1 75 70 L D E < +BC 24 72A 84 -3,-2.3 -3,-2.7 -51,-0.2 2,-0.3 -0.893 54.2 169.5-106.9 136.1 -13.5 36.5 54.2 76 71 L F E -BC 23 71A 2 -53,-2.0 -53,-1.8 -2,-0.4 2,-0.4 -1.000 15.8-159.7-146.9 146.4 -10.5 34.2 54.9 77 72 L T E -BC 22 70A 34 -7,-2.8 -7,-2.8 -2,-0.3 2,-0.5 -0.927 4.9-160.5-128.5 141.6 -7.1 34.5 56.4 78 73 L L E -BC 21 69A 0 -57,-2.1 -57,-2.4 -2,-0.4 2,-0.4 -0.982 20.9-163.4-117.1 130.0 -4.0 32.2 56.2 79 74 L K E -BC 20 68A 76 -11,-2.8 -11,-1.9 -2,-0.5 2,-0.6 -0.938 21.1-163.6-124.6 143.4 -1.5 32.8 58.9 80 75 L I E -BC 19 67A 0 -61,-2.6 -61,-2.5 -2,-0.4 3,-0.3 -0.984 12.9-157.8-120.8 104.9 2.1 31.9 59.4 81 76 L S S S+ 0 0 56 -15,-2.5 2,-0.3 -2,-0.6 -1,-0.1 0.840 81.5 5.0 -51.7 -40.6 2.9 32.3 63.1 82 77 L R S S- 0 0 114 -16,-0.1 -1,-0.3 -64,-0.1 -64,-0.2 -0.823 83.5-127.3-155.4 113.3 6.7 32.7 62.4 83 78 L V - 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