==== 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 1MRD . COMPND 2 MOLECULE: IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.R.POKKULURI,M.CYGLER . 424 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 68.6 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 . 173 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 52 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.5 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+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 . 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 2 6 6 5 6 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 0 5 1 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 0 128 0, 0.0 2,-0.5 0, 0.0 100,-0.1 0.000 360.0 360.0 360.0-161.0 -17.5 32.8 38.5 2 2 L V - 0 0 7 98,-0.4 2,-0.5 93,-0.1 93,-0.1 -0.696 360.0-145.3 -83.2 123.9 -16.5 33.3 42.1 3 3 L V - 0 0 84 -2,-0.5 23,-1.5 99,-0.1 2,-0.4 -0.823 6.9-155.2 -99.7 128.7 -13.5 35.6 42.3 4 4 L M E -A 25 0A 11 -2,-0.5 2,-0.4 99,-0.4 101,-0.2 -0.827 8.9-161.1 -96.1 137.2 -10.9 35.2 45.1 5 5 L T E -A 24 0A 80 19,-2.8 19,-1.9 -2,-0.4 2,-0.5 -0.967 3.1-151.2-125.4 131.3 -8.8 38.2 46.1 6 6 L Q E -A 23 0A 21 -2,-0.4 17,-0.2 17,-0.2 15,-0.0 -0.887 11.5-133.9-109.8 133.1 -5.4 38.1 48.0 7 7 L T E S+A 22 0A 87 15,-1.4 15,-3.3 -2,-0.5 2,-0.1 -0.984 83.9 20.7-126.4 119.4 -4.1 40.8 50.3 8 8 L P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.617 63.7-155.3 -96.1 178.5 -1.3 41.5 49.9 9 9 L L S S+ 0 0 144 1,-0.3 99,-1.6 98,-0.2 2,-0.3 0.680 89.2 15.4 -79.8 -20.9 0.2 40.7 46.5 10 10 L S E S-d 108 0B 48 97,-0.2 -1,-0.3 80,-0.0 99,-0.2 -0.973 70.2-165.7-152.6 141.0 3.7 40.6 48.0 11 11 L L E -d 109 0B 37 97,-3.2 99,-3.2 -2,-0.3 2,-0.6 -0.929 7.4-158.4-143.3 111.9 4.8 40.4 51.6 12 12 L P E +d 110 0B 70 0, 0.0 2,-0.3 0, 0.0 99,-0.3 -0.796 25.6 168.9 -86.4 119.7 8.3 41.1 53.0 13 13 L V E -d 111 0B 10 97,-3.0 99,-2.0 -2,-0.6 2,-0.1 -0.978 32.0-118.1-139.0 142.5 8.8 39.4 56.4 14 14 L S E > -d 112 0B 38 -2,-0.3 3,-1.9 97,-0.2 69,-0.2 -0.479 42.6 -93.3 -78.0 150.6 11.8 38.8 58.7 15 15 L L T 3 S+ 0 0 92 97,-0.6 69,-0.2 1,-0.3 -1,-0.1 -0.398 114.3 24.8 -62.0 136.8 12.9 35.3 59.6 16 16 L G T 3 S+ 0 0 48 67,-3.0 -1,-0.3 1,-0.3 68,-0.1 0.098 101.1 106.1 95.8 -24.2 11.2 34.3 62.8 17 17 L D S < S- 0 0 85 -3,-1.9 66,-3.3 66,-0.2 -1,-0.3 -0.197 72.8-100.7 -79.9 179.3 8.2 36.7 62.5 18 18 L Q - 0 0 129 64,-0.2 2,-0.3 -3,-0.1 63,-0.2 -0.704 28.6-155.2-101.8 155.5 4.6 35.9 61.7 19 19 L A E - B 0 80A 3 61,-2.6 61,-2.3 -2,-0.3 2,-0.4 -0.969 3.7-163.5-131.6 143.1 3.0 36.3 58.3 20 20 L S E - B 0 79A 55 -2,-0.3 2,-0.5 59,-0.2 59,-0.2 -0.975 3.6-171.5-131.1 116.4 -0.7 36.8 57.4 21 21 L I E - B 0 78A 0 57,-2.8 57,-2.6 -2,-0.4 2,-0.3 -0.932 14.3-149.4-109.7 127.4 -2.0 36.3 53.9 22 22 L S E -AB 7 77A 31 -15,-3.3 -15,-1.4 -2,-0.5 2,-0.4 -0.689 13.9-176.0 -98.7 150.1 -5.6 37.4 53.3 23 23 L a E -AB 6 76A 0 53,-2.2 53,-2.5 -2,-0.3 2,-0.4 -0.991 3.6-171.5-143.7 136.8 -8.1 35.9 50.8 24 24 L R E -AB 5 75A 65 -19,-1.9 -19,-2.8 -2,-0.4 2,-0.3 -0.998 11.8-142.9-135.7 136.8 -11.5 37.1 50.1 25 25 L S E -A 4 0A 9 49,-1.8 -21,-0.2 -2,-0.4 4,-0.1 -0.768 15.8-137.6-102.6 146.5 -14.3 35.6 48.0 26 26 L S S S+ 0 0 67 -23,-1.5 2,-0.3 -2,-0.3 -1,-0.1 0.780 96.1 27.1 -65.5 -29.1 -16.8 37.4 45.8 27 27 L Q S S- 0 0 102 -24,-0.1 2,-0.2 46,-0.1 -2,-0.1 -0.838 102.6 -82.5-127.6 167.6 -19.4 35.0 47.3 28 27AL S - 0 0 52 -2,-0.3 46,-0.2 1,-0.1 -2,-0.1 -0.476 30.0-149.5 -70.5 138.9 -19.9 33.1 50.5 29 27BL L + 0 0 0 44,-3.0 8,-0.8 -2,-0.2 2,-0.7 0.196 59.0 119.6 -94.4 13.9 -17.9 29.8 50.4 30 27CL V B -J 36 0C 67 6,-0.2 6,-0.2 43,-0.1 5,-0.1 -0.746 56.0-147.3 -85.3 113.0 -20.4 28.1 52.7 31 27DL H > - 0 0 66 4,-3.1 3,-2.0 -2,-0.7 -2,-0.1 -0.348 23.6-113.5 -72.7 157.8 -21.8 25.1 50.7 32 27EL S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.851 117.9 64.7 -63.5 -28.8 -25.4 24.0 51.3 33 28 L N T 3 S- 0 0 88 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.461 121.2-109.6 -73.3 1.5 -24.0 20.8 52.8 34 29 L G S < S+ 0 0 51 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.075 81.3 114.9 97.0 -24.8 -22.5 23.0 55.6 35 30 L N - 0 0 58 -5,-0.1 -4,-3.1 62,-0.0 2,-0.5 -0.315 56.8-142.7 -78.2 160.8 -18.8 22.8 54.6 36 31 L T B -J 30 0C 28 -6,-0.2 2,-1.4 -3,-0.1 -6,-0.2 -0.963 12.3-157.2-124.6 104.3 -16.7 25.7 53.5 37 32 L Y + 0 0 48 -8,-0.8 59,-2.1 -2,-0.5 60,-0.5 -0.651 36.4 141.4 -89.6 81.6 -14.3 24.5 50.8 38 33 L L E -E 95 0B 0 -2,-1.4 18,-2.7 57,-0.2 2,-0.3 -0.980 26.3-176.7-119.8 130.0 -11.5 27.1 51.0 39 34 L H E -E 94 0B 6 55,-2.8 55,-2.7 -2,-0.4 2,-0.4 -0.872 18.8-142.1-128.3 164.8 -7.9 25.8 50.5 40 35 L W E -EF 93 53B 0 13,-2.0 12,-3.0 -2,-0.3 13,-1.0 -0.994 15.1-173.2-132.8 127.0 -4.4 27.1 50.5 41 36 L Y E -EF 92 51B 2 51,-3.1 51,-2.7 -2,-0.4 2,-0.5 -0.861 13.7-148.2-118.5 151.0 -1.5 26.0 48.3 42 37 L L E -EF 91 50B 22 8,-2.6 8,-1.7 -2,-0.3 2,-0.6 -0.993 14.3-163.3-119.1 123.2 2.2 26.9 48.4 43 38 L Q E -E 90 0B 8 47,-2.8 47,-2.5 -2,-0.5 5,-0.1 -0.947 0.9-162.8-114.4 119.1 4.0 27.1 45.0 44 39 L K > - 0 0 51 -2,-0.6 3,-2.1 4,-0.5 45,-0.1 -0.805 43.4 -78.5 -98.7 140.4 7.7 27.0 44.9 45 40 L P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.003 116.6 5.0 -37.4 128.3 9.5 28.1 41.6 46 41 L G T 3 S+ 0 0 94 1,-0.2 2,-0.3 -3,-0.1 -3,-0.0 0.647 113.3 108.3 65.6 16.2 9.5 25.5 38.9 47 42 L Q S < S- 0 0 113 -3,-2.1 -1,-0.2 3,-0.0 3,-0.1 -0.898 73.6-112.3-124.6 152.7 7.3 23.3 41.1 48 43 L S - 0 0 35 -2,-0.3 -4,-0.5 1,-0.1 274,-0.1 -0.356 52.9 -87.4 -72.4 159.7 3.6 22.2 41.1 49 44 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.366 40.3-152.1 -68.6 155.0 1.5 23.6 43.9 50 45 L K E -F 42 0B 52 -8,-1.7 -8,-2.6 -3,-0.1 2,-0.2 -0.997 19.5-115.1-127.6 134.7 1.4 21.7 47.2 51 46 L L E +F 41 0B 4 -2,-0.4 -10,-0.2 267,-0.2 3,-0.1 -0.478 34.5 168.7 -72.9 136.3 -1.5 21.8 49.5 52 47 L L E + 0 0 11 -12,-3.0 8,-2.5 1,-0.3 2,-0.4 0.790 69.7 12.1-105.4 -59.5 -1.0 23.3 53.0 53 48 L I E -FG 40 59B 0 -13,-1.0 -13,-2.0 6,-0.2 2,-0.3 -0.978 63.3-169.2-128.7 121.5 -4.5 23.8 54.5 54 49 L Y E >> S+ G 0 58B 45 4,-2.2 4,-1.8 -2,-0.4 3,-0.5 -0.793 71.1 15.0-109.5 154.5 -7.8 22.3 53.2 55 50 L K T 34 S- 0 0 66 -2,-0.3 2,-2.0 1,-0.3 -1,-0.2 0.931 126.4 -65.9 49.2 53.3 -11.3 23.3 54.3 56 51 L V T 34 S+ 0 0 19 -18,-2.7 -1,-0.3 -3,-0.3 21,-0.1 -0.249 126.3 12.7 73.2 -47.6 -10.2 26.4 56.1 57 52 L S T <4 S+ 0 0 73 -2,-2.0 2,-0.5 -3,-0.5 -1,-0.2 0.370 87.3 112.0-143.9 5.4 -8.0 24.9 58.9 58 53 L N E < -G 54 0B 69 -4,-1.8 -4,-2.2 -3,-0.2 2,-0.3 -0.731 59.9-133.2 -88.0 130.9 -7.2 21.3 58.4 59 54 L R E -G 53 0B 117 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.618 12.3-129.4 -85.9 138.8 -3.5 20.6 57.7 60 55 L F > - 0 0 35 -8,-2.5 3,-1.7 -2,-0.3 2,-0.1 -0.317 54.7 -57.5 -74.7 169.5 -2.4 18.3 54.9 61 56 L S T 3 S+ 0 0 97 255,-0.3 -1,-0.2 1,-0.2 -10,-0.0 -0.271 120.9 1.8 -56.7 121.2 0.1 15.5 55.7 62 57 L G T 3 S+ 0 0 81 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.334 88.6 138.7 87.9 -7.3 3.4 16.6 57.1 63 58 L V < - 0 0 20 -3,-1.7 -1,-0.3 -11,-0.2 2,-0.1 -0.563 52.7-122.0 -75.2 131.5 2.5 20.3 57.2 64 59 L P > - 0 0 54 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.358 17.0-114.2 -70.8 156.0 3.8 21.9 60.5 65 60 L D T 3 S+ 0 0 124 1,-0.3 16,-0.1 -2,-0.1 -2,-0.0 0.365 104.3 88.8 -72.1 2.7 1.5 23.7 63.0 66 61 L R T 3 S+ 0 0 38 14,-0.1 15,-1.6 16,-0.1 2,-0.4 0.877 82.6 70.5 -59.6 -41.3 3.4 26.9 62.1 67 62 L F E < +C 80 0A 10 -3,-1.8 2,-0.4 13,-0.2 13,-0.2 -0.681 64.5 168.8 -81.3 123.8 0.7 27.1 59.4 68 63 L S E -C 79 0A 57 11,-2.1 11,-2.6 -2,-0.4 2,-0.4 -0.996 17.7-155.1-137.4 137.5 -2.9 27.8 60.5 69 64 L G E +C 78 0A 8 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.933 21.3 161.9-113.1 143.9 -5.9 28.7 58.4 70 65 L S E +C 77 0A 52 7,-2.4 7,-1.8 -2,-0.4 2,-0.2 -0.861 13.5 96.3-147.0 177.8 -8.9 30.6 59.6 71 66 L G E -C 76 0A 40 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.692 40.9-127.0 129.4-178.3 -11.8 32.6 58.4 72 67 L S E > -C 75 0A 94 3,-2.7 3,-2.3 -2,-0.2 2,-1.8 -0.920 64.2 -16.6-171.9 142.2 -15.5 32.4 57.6 73 68 L G T 3 S- 0 0 16 -2,-0.3 -44,-3.0 1,-0.3 -43,-0.1 -0.399 133.9 -13.0 64.4 -84.4 -18.0 33.1 54.8 74 69 L T T 3 S+ 0 0 51 -2,-1.8 -49,-1.8 -46,-0.2 2,-0.6 0.461 121.2 81.3-125.4 -12.8 -15.9 35.3 52.5 75 70 L D E < +BC 24 72A 84 -3,-2.3 -3,-2.7 -51,-0.2 2,-0.4 -0.888 52.0 168.0-106.5 121.8 -13.0 36.2 54.8 76 71 L F E -BC 23 71A 1 -53,-2.5 -53,-2.2 -2,-0.6 2,-0.4 -0.986 14.4-164.2-137.3 141.7 -10.0 33.9 55.2 77 72 L T E -BC 22 70A 43 -7,-1.8 -7,-2.4 -2,-0.4 2,-0.5 -0.980 6.6-161.0-129.0 130.4 -6.6 34.2 56.7 78 73 L L E -BC 21 69A 0 -57,-2.6 -57,-2.8 -2,-0.4 2,-0.4 -0.923 20.0-168.6-104.8 129.7 -3.5 32.0 56.3 79 74 L K E -BC 20 68A 53 -11,-2.6 -11,-2.1 -2,-0.5 2,-0.5 -0.966 18.7-164.9-125.9 141.3 -0.9 32.6 59.0 80 75 L I E -BC 19 67A 0 -61,-2.3 -61,-2.6 -2,-0.4 3,-0.3 -0.997 7.4-164.9-119.7 118.8 2.7 31.4 59.4 81 76 L S S S+ 0 0 49 -15,-1.6 2,-0.3 -2,-0.5 -1,-0.1 0.801 81.0 27.5 -77.2 -31.7 3.8 31.8 63.0 82 77 L R S S- 0 0 90 -64,-0.1 -1,-0.2 -63,-0.0 -64,-0.2 -0.689 80.8-146.1-133.9 84.1 7.6 31.5 62.4 83 78 L V - 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