==== 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 19-JUL-95 1BRE . COMPND 2 MOLECULE: BENCE-JONES KAPPA I PROTEIN BRE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.SCHORMANN,M.D.BENSON . 642 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 36.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 90 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 0 RESIDUES PER ALPHA HELIX . 0 1 1 4 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 0 PARALLEL BRIDGES PER LADDER . 4 12 9 8 3 12 1 0 0 0 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 6 0 0 4 0 0 0 0 0 1 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 A D 0 0 129 0, 0.0 2,-0.4 0, 0.0 95,-0.1 0.000 360.0 360.0 360.0 -51.1 45.4 1.5 76.8 2 2 A I - 0 0 2 93,-0.3 2,-0.3 91,-0.2 88,-0.1 -0.516 360.0-134.7 -65.2 117.5 42.4 2.5 79.0 3 3 A Q - 0 0 124 -2,-0.4 23,-2.6 2,-0.0 2,-0.5 -0.621 14.9-159.2 -81.8 132.9 39.2 1.9 76.9 4 4 A M E -A 25 0A 18 94,-0.4 2,-0.6 -2,-0.3 96,-0.5 -0.973 4.3-163.5-110.6 122.1 36.6 4.7 77.0 5 5 A T E -A 24 0A 67 19,-2.0 19,-2.3 -2,-0.5 2,-0.4 -0.917 9.8-174.3-113.8 116.4 33.1 3.5 75.9 6 6 A Q E -A 23 0A 5 -2,-0.6 17,-0.3 17,-0.3 94,-0.1 -0.866 15.4-119.8-114.0 138.3 30.7 6.3 75.0 7 7 A S E S+A 22 0A 6 15,-2.8 15,-2.9 -2,-0.4 2,-0.2 -0.995 72.2 20.1-135.4 148.5 27.0 6.1 74.2 8 8 A P - 0 0 10 0, 0.0 329,-0.2 0, 0.0 3,-0.1 0.641 58.7-151.0 -83.3-172.1 25.1 6.6 72.0 9 9 A S S S+ 0 0 17 327,-1.9 94,-1.9 422,-0.4 2,-0.3 0.880 82.1 16.2 -86.0 -40.2 27.0 6.9 68.8 10 10 A S E S-d 103 0B 30 326,-2.3 326,-0.3 421,-0.2 -1,-0.3 -0.959 71.4-176.1-133.8 154.5 24.5 9.3 67.1 11 11 A L E -d 104 0B 8 92,-0.7 94,-0.7 -2,-0.3 2,-0.3 -0.802 13.1-173.4-145.1 175.8 21.7 11.5 68.5 12 12 A S E +d 105 0B 13 322,-0.4 321,-0.4 -2,-0.2 2,-0.3 -0.942 11.7 167.0-162.7 160.9 18.9 14.0 67.7 13 13 A A E -d 106 0B 0 92,-0.5 94,-0.9 -2,-0.3 2,-0.1 -0.855 36.3-106.0 178.9 143.6 16.5 16.2 69.8 14 14 A S > - 0 0 60 -2,-0.3 3,-0.7 92,-0.2 64,-0.3 -0.444 61.4 -76.4 -74.1 155.8 14.1 19.1 69.4 15 15 A V T 3 S+ 0 0 106 92,-0.3 64,-0.2 1,-0.2 -1,-0.2 -0.189 121.2 24.0 -51.1 144.9 15.2 22.5 70.6 16 16 A G T 3 S+ 0 0 36 62,-1.7 2,-0.5 1,-0.2 -1,-0.2 0.823 89.3 145.6 66.4 34.7 15.1 22.7 74.3 17 17 A D < - 0 0 25 -3,-0.7 2,-0.9 -4,-0.1 61,-0.8 -0.926 55.1-111.3-112.0 133.4 15.4 18.9 75.0 18 18 A R - 0 0 95 -2,-0.5 2,-0.3 59,-0.1 58,-0.3 -0.346 41.1-169.6 -60.0 98.0 17.2 17.2 77.9 19 19 A V E - B 0 75A 4 56,-3.2 56,-1.5 -2,-0.9 2,-0.3 -0.650 12.6-179.9-101.5 143.0 20.2 15.4 76.6 20 20 A T E - B 0 74A 56 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.979 0.8-179.3-136.4 142.5 22.5 12.9 78.3 21 21 A I E - B 0 73A 1 52,-2.0 52,-3.3 -2,-0.3 2,-0.3 -0.979 13.3-151.6-142.6 141.0 25.6 11.1 76.9 22 22 A T E -AB 7 72A 3 -15,-2.9 -15,-2.8 -2,-0.3 2,-0.4 -0.915 11.8-164.6-126.1 155.4 27.8 8.6 78.7 23 23 A a E -AB 6 71A 2 48,-1.6 48,-1.1 -2,-0.3 2,-0.6 -0.967 14.1-148.5-129.6 141.6 31.4 7.4 78.6 24 24 A Q E -AB 5 70A 32 -19,-2.3 -19,-2.0 -2,-0.4 2,-0.5 -0.926 7.7-147.3-120.9 111.1 32.5 4.2 80.4 25 25 A A E -A 4 0A 6 44,-2.0 -21,-0.2 -2,-0.6 -23,-0.0 -0.647 5.3-150.6 -76.3 121.9 36.1 4.0 81.8 26 26 A S S S+ 0 0 72 -23,-2.6 2,-0.3 -2,-0.5 -1,-0.1 0.477 88.8 23.2 -68.9 -5.8 37.6 0.5 81.6 27 27 A Q S S- 0 0 109 -24,-0.2 2,-1.4 41,-0.1 -2,-0.0 -0.923 109.5 -78.8-150.1 163.7 39.6 1.4 84.6 28 28 A D - 0 0 80 -2,-0.3 41,-0.2 1,-0.2 40,-0.1 -0.569 38.5-169.6 -79.1 101.0 39.0 4.0 87.3 29 29 A I > - 0 0 0 -2,-1.4 3,-2.4 39,-0.5 62,-0.2 0.309 33.3-127.8 -71.6 12.9 40.1 7.3 85.8 30 30 A S T 3 - 0 0 64 38,-0.4 -1,-0.1 1,-0.3 39,-0.1 0.830 62.5 -63.6 39.9 45.1 39.8 9.1 89.1 31 31 A D T 3 S+ 0 0 67 37,-0.3 2,-2.9 1,-0.2 20,-0.3 0.435 94.3 140.3 63.8 5.7 37.6 11.8 87.7 32 32 A Y < + 0 0 110 -3,-2.4 59,-2.4 18,-0.2 2,-0.4 -0.450 33.3 138.3 -76.1 72.2 40.3 13.0 85.4 33 33 A L E -E 90 0B 0 -2,-2.9 18,-0.9 57,-0.2 2,-0.3 -0.981 33.7-172.9-130.6 135.3 37.7 13.6 82.7 34 34 A I E -E 89 0B 4 55,-1.7 55,-1.3 -2,-0.4 2,-0.4 -0.829 14.4-143.7-122.0 146.5 37.3 16.4 80.2 35 35 A W E -EF 88 48B 0 13,-1.3 12,-4.0 -2,-0.3 13,-0.8 -0.964 16.9-163.4-113.3 134.5 34.5 17.0 77.7 36 36 A Y E -EF 87 46B 0 51,-2.2 51,-1.3 -2,-0.4 2,-0.6 -0.962 13.5-150.3-121.3 144.2 35.1 18.4 74.1 37 37 A Q E -EF 86 45B 30 8,-2.2 8,-2.1 -2,-0.4 2,-0.7 -0.915 13.2-167.5-109.0 118.6 32.8 20.0 71.5 38 38 A Q - 0 0 18 47,-3.3 3,-0.1 -2,-0.6 5,-0.1 -0.810 10.6-154.4-116.9 91.4 34.1 19.4 68.0 39 39 A K > - 0 0 60 -2,-0.7 2,-2.4 4,-0.4 3,-2.1 -0.105 47.5 -64.9 -54.8 160.6 32.2 21.6 65.6 40 40 A L T 3 S- 0 0 136 43,-0.3 -1,-0.2 1,-0.3 44,-0.0 -0.192 121.1 -14.0 -57.4 73.3 31.9 20.6 62.0 41 41 A G T 3 S+ 0 0 70 -2,-2.4 -1,-0.3 1,-0.4 2,-0.3 0.690 110.2 110.6 104.3 28.3 35.5 20.7 60.9 42 42 A K S < S- 0 0 120 -3,-2.1 -1,-0.4 1,-0.1 3,-0.1 -0.823 73.8 -83.5-126.0 168.5 37.1 22.6 63.8 43 43 A A - 0 0 20 -2,-0.3 -4,-0.4 165,-0.2 2,-0.3 -0.210 57.6 -89.9 -68.1 156.9 39.6 21.8 66.6 44 44 A P - 0 0 5 0, 0.0 162,-0.4 0, 0.0 2,-0.4 -0.565 39.9-149.6 -72.5 134.2 38.1 20.2 69.8 45 45 A N E -F 37 0B 82 -8,-2.1 -8,-2.2 -2,-0.3 2,-0.5 -0.886 15.3-120.6-107.7 137.9 37.1 22.7 72.4 46 46 A L E +F 36 0B 21 -2,-0.4 -10,-0.3 -10,-0.2 3,-0.1 -0.678 35.3 165.5 -79.3 124.7 37.3 21.9 76.1 47 47 A L E + 0 0 7 -12,-4.0 8,-3.8 -2,-0.5 2,-0.3 0.874 65.0 21.8-100.1 -54.5 34.0 22.2 78.1 48 48 A I E -FG 35 54B 0 -13,-0.8 -13,-1.3 6,-0.3 2,-0.4 -0.876 60.2-157.7-118.1 154.8 34.5 20.4 81.4 49 49 A Y E > S+ G 0 53B 88 4,-3.4 4,-0.9 -2,-0.3 -15,-0.2 -0.999 74.8 3.9-135.9 123.4 37.8 19.6 83.3 50 50 A D T >4 S- 0 0 54 -2,-0.4 2,-1.4 1,-0.2 3,-1.1 0.997 118.5 -64.1 61.4 80.5 37.8 16.8 85.9 51 51 A A T 34 S+ 0 0 5 -18,-0.9 -1,-0.2 -20,-0.3 16,-0.1 -0.210 129.4 21.1 50.7 -78.3 34.4 15.2 85.7 52 52 A S T 34 S+ 0 0 63 -2,-1.4 2,-0.5 14,-0.1 12,-0.4 0.636 92.0 99.7-103.6 -3.2 32.2 18.0 86.9 53 53 A T E << -G 49 0B 53 -3,-1.1 -4,-3.4 -4,-0.9 2,-0.2 -0.652 56.6-145.5 -91.1 127.9 33.9 21.4 86.5 54 54 A L E -G 48 0B 44 -2,-0.5 -6,-0.3 -6,-0.3 2,-0.1 -0.491 21.7-108.7 -79.6 154.6 33.0 23.5 83.5 55 55 A E > - 0 0 43 -8,-3.8 3,-1.7 -2,-0.2 2,-0.3 -0.459 44.8 -92.2 -82.2 153.9 35.5 25.8 81.7 56 56 A T T 3 S+ 0 0 125 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.536 115.2 29.7 -69.6 125.6 35.0 29.5 82.2 57 57 A G T 3 S+ 0 0 85 1,-0.4 -1,-0.2 -2,-0.3 -2,-0.1 0.319 91.6 119.7 106.6 -1.3 32.9 31.0 79.5 58 58 A V S < S- 0 0 29 -3,-1.7 -1,-0.4 -11,-0.1 -4,-0.1 -0.808 70.5-109.6 -98.2 129.0 30.9 27.7 79.1 59 59 A P > - 0 0 57 0, 0.0 3,-0.9 0, 0.0 -4,-0.1 -0.126 16.1-125.4 -52.7 155.8 27.2 28.0 79.7 60 60 A S T 3 S+ 0 0 118 1,-0.2 -2,-0.0 -6,-0.0 -6,-0.0 0.615 102.6 81.6 -77.4 -12.1 25.7 26.3 82.8 61 61 A R T 3 S+ 0 0 51 14,-0.1 15,-2.0 15,-0.1 2,-0.5 0.658 81.9 71.8 -64.9 -18.7 23.4 24.5 80.4 62 62 A F E < S+C 75 0A 6 -3,-0.9 2,-0.3 13,-0.2 13,-0.2 -0.897 71.1 165.4 -98.7 133.3 26.2 22.0 79.8 63 63 A S E -C 74 0A 46 11,-2.7 11,-3.0 -2,-0.5 2,-0.4 -0.980 26.8-152.7-148.1 162.0 26.9 19.8 82.7 64 64 A G E -C 73 0A 7 -12,-0.4 2,-0.4 -2,-0.3 9,-0.2 -0.993 7.9-178.4-141.4 128.1 28.7 16.6 83.9 65 65 A S E +C 72 0A 85 7,-1.3 7,-3.5 -2,-0.4 2,-0.2 -0.929 29.6 118.9-118.2 145.1 28.0 14.2 86.7 66 66 A G E -C 71 0A 22 -2,-0.4 5,-0.3 5,-0.3 2,-0.3 -0.865 27.0-178.2 167.8 162.4 30.2 11.2 87.4 67 67 A S E > +C 70 0A 81 3,-2.3 3,-3.0 -2,-0.2 2,-0.7 -0.955 64.0 4.7-166.3 166.2 32.5 9.1 89.5 68 68 A G T 3 S- 0 0 23 -2,-0.3 -39,-0.5 1,-0.3 -38,-0.4 -0.240 131.5 -24.5 54.4 -99.4 34.6 5.8 89.3 69 69 A T T 3 S+ 0 0 59 -2,-0.7 -44,-2.0 -41,-0.2 2,-0.5 0.222 124.8 80.7-128.1 12.0 34.2 4.7 85.8 70 70 A E E < +BC 24 67A 62 -3,-3.0 -3,-2.3 -46,-0.2 2,-0.3 -0.916 46.5 157.2-129.2 106.6 30.9 6.3 85.0 71 71 A Y E -BC 23 66A 3 -48,-1.1 -48,-1.6 -2,-0.5 2,-0.3 -0.886 20.5-155.9-118.3 156.8 30.6 10.0 84.0 72 72 A T E -BC 22 65A 36 -7,-3.5 -7,-1.3 -2,-0.3 2,-0.4 -0.971 8.0-144.9-138.1 149.5 27.8 11.7 82.0 73 73 A F E -BC 21 64A 1 -52,-3.3 -52,-2.0 -2,-0.3 2,-0.4 -0.926 18.2-170.5-115.2 136.7 27.3 14.7 79.9 74 74 A T E -BC 20 63A 27 -11,-3.0 -11,-2.7 -2,-0.4 2,-0.6 -0.995 23.1-172.4-132.8 136.7 24.1 16.7 79.8 75 75 A I E -BC 19 62A 0 -56,-1.5 -56,-3.2 -2,-0.4 3,-0.4 -0.957 17.9-167.8-119.4 93.3 22.8 19.5 77.6 76 76 A S S S+ 0 0 49 -15,-2.0 2,-0.5 -2,-0.6 -1,-0.2 0.919 81.0 24.9 -51.6 -50.9 19.7 20.3 79.6 77 77 A S S S- 0 0 55 -16,-0.3 -1,-0.3 -59,-0.1 -59,-0.1 -0.914 89.6-141.8-123.6 96.8 18.2 22.5 76.9 78 78 A L - 0 0 1 -61,-0.8 -62,-1.7 -2,-0.5 3,-0.1 -0.008 21.1-166.7 -50.5 160.3 19.6 21.5 73.4 79 79 A Q > - 0 0 68 -64,-0.2 3,-2.2 1,-0.1 4,-0.3 -0.988 33.1-112.8-152.0 153.5 20.3 24.4 71.0 80 80 A P G > S+ 0 0 71 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.916 117.4 53.8 -54.4 -46.6 21.0 24.7 67.3 81 81 A E G 3 S+ 0 0 102 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 0.437 93.5 75.5 -66.7 -3.5 24.6 25.9 67.9 82 82 A D G < + 0 0 3 -3,-2.2 -1,-0.3 2,-0.1 2,-0.2 0.609 62.9 120.5 -85.3 -10.6 25.0 22.8 70.0 83 83 A I < + 0 0 55 -3,-2.1 -43,-0.3 -4,-0.3 2,-0.2 -0.329 47.5 90.5 -56.3 116.5 25.3 20.7 66.8 84 84 A A E S- H 0 104B 5 20,-0.8 20,-1.8 -2,-0.2 2,-0.3 -0.737 77.3 -74.4-172.3-147.1 28.7 19.1 67.1 85 85 A T E - H 0 103B 28 -2,-0.2 -47,-3.3 18,-0.2 2,-0.4 -0.939 32.6-158.1-145.6 125.6 30.5 16.1 68.4 86 86 A Y E +EH 37 102B 0 16,-1.3 16,-2.6 -2,-0.3 2,-0.3 -0.884 14.1 176.5-109.6 131.6 31.3 15.5 72.0 87 87 A Y E -E 36 0B 13 -51,-1.3 -51,-2.2 -2,-0.4 2,-0.3 -0.890 18.9-142.5-126.8 159.9 34.1 13.2 73.0 88 88 A a E -E 35 0B 0 -2,-0.3 11,-2.5 -53,-0.2 2,-0.3 -0.820 13.2-163.5-119.8 158.0 35.3 12.4 76.5 89 89 A Q E -EI 34 98B 0 -55,-1.3 -55,-1.7 -2,-0.3 2,-0.4 -0.923 15.0-142.2-148.5 120.3 39.0 11.9 77.2 90 90 A Q E -EI 33 97B 0 7,-2.1 7,-0.8 -2,-0.3 -57,-0.2 -0.701 17.1-178.2 -77.0 131.3 40.5 10.3 80.3 91 91 A Y + 0 0 16 -59,-2.4 3,-0.1 -2,-0.4 -58,-0.1 -0.076 49.0 113.0-121.1 31.4 43.6 12.3 81.1 92 92 A D S S- 0 0 53 -60,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.850 90.4 -14.8 -70.2 -39.6 44.4 10.1 84.1 93 93 A D S S- 0 0 73 2,-0.2 -1,-0.3 -3,-0.1 -91,-0.2 -0.947 91.9 -59.9-165.7 144.4 47.6 8.7 82.4 94 94 A L S S+ 0 0 48 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.1 -0.496 108.5 61.8 -70.6 141.8 49.1 8.6 79.0 95 95 A P S S- 0 0 25 0, 0.0 2,-0.4 0, 0.0 -93,-0.3 0.275 85.7-150.5 -68.6 127.4 48.1 7.4 76.5 96 96 A Y - 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