==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNOGLOBULIN 13-MAY-96 1LIL . COMPND 2 MOLECULE: LAMBDA III BENCE JONES PROTEIN CLE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SCHIFFER,D.B.HUANG . 424 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19083.0 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 . 13 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 36.3 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 . 3 0.7 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 . 65 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 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 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 0 0 PARALLEL BRIDGES PER LADDER . 6 7 5 1 5 3 3 2 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 . 1 1 4 1 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 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 2 A Y 0 0 107 0, 0.0 2,-0.2 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 151.3 82.0 16.9 27.6 2 3 A E - 0 0 128 94,-0.1 22,-2.1 2,-0.0 2,-0.6 -0.612 360.0-157.5 -67.0 133.2 79.2 17.4 25.1 3 4 A V B -A 23 0A 18 20,-0.3 2,-1.0 -2,-0.2 20,-0.3 -0.982 10.9-153.4-109.8 115.8 80.3 19.1 21.9 4 5 A T + 0 0 77 18,-1.1 18,-0.2 -2,-0.6 16,-0.1 -0.581 19.1 175.3 -98.9 82.7 77.2 20.6 20.3 5 6 A Q - 0 0 17 -2,-1.0 94,-0.2 16,-0.1 16,-0.1 -0.631 29.5-114.1 -90.3 126.4 77.6 20.9 16.5 6 7 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 192,-0.1 0.156 18.3-123.6 -45.1 164.1 74.8 22.1 14.3 7 8 A P S S- 0 0 19 0, 0.0 95,-2.5 0, 0.0 2,-0.3 0.931 75.4 -10.0 -83.5 -59.0 72.9 20.0 11.6 8 9 A S E -b 102 0B 5 189,-0.5 2,-0.3 93,-0.3 95,-0.2 -0.902 48.7-156.1-140.7 165.4 73.1 21.6 8.2 9 11 A L E -b 103 0B 46 93,-1.5 95,-1.9 -2,-0.3 2,-1.1 -0.801 9.9-162.2-151.6 99.5 74.3 25.1 6.9 10 12 A S E +b 104 0B 11 -2,-0.3 95,-0.2 93,-0.2 2,-0.1 -0.718 17.0 178.9 -86.6 77.9 72.8 26.1 3.6 11 13 A V E -b 105 0B 5 -2,-1.1 95,-2.7 93,-0.6 -2,-0.1 -0.364 26.1-121.7 -80.0 162.7 74.9 28.9 2.1 12 14 A S > - 0 0 47 93,-0.3 3,-1.5 -2,-0.1 2,-1.2 -0.755 53.4 -72.3-103.6 149.5 74.3 30.6 -1.2 13 15 A P T 3 S+ 0 0 106 0, 0.0 64,-0.1 0, 0.0 -1,-0.1 -0.179 124.9 11.6 -44.0 83.4 77.1 30.5 -3.8 14 16 A G T 3 S+ 0 0 33 -2,-1.2 62,-0.7 1,-0.4 61,-0.5 -0.122 87.0 116.6 140.1 -44.4 79.3 32.9 -2.1 15 17 A Q < - 0 0 101 -3,-1.5 61,-0.8 60,-0.2 2,-0.5 -0.068 69.5-103.8 -54.4 166.4 78.4 33.7 1.5 16 18 A T - 0 0 57 59,-0.1 58,-0.2 1,-0.1 -1,-0.1 -0.841 31.0-120.2-101.8 125.9 80.9 32.7 4.1 17 19 A A E -G 73 0C 2 56,-0.7 56,-0.6 -2,-0.5 -1,-0.1 0.056 18.7-165.4 -51.9 165.9 80.2 29.6 6.2 18 20 A R E +G 72 0C 130 54,-0.2 2,-0.4 2,-0.0 54,-0.2 -0.324 19.2 167.6-158.9 54.7 80.0 30.1 10.0 19 21 A I E -G 71 0C 2 52,-2.0 52,-6.0 -10,-0.1 2,-0.4 -0.693 13.5-173.7 -81.1 131.5 80.2 26.5 11.3 20 22 A T E -G 70 0C 32 -2,-0.4 2,-0.5 50,-0.3 50,-0.3 -0.978 24.7-147.9-136.8 146.2 80.8 26.4 15.1 21 23 A a E -G 69 0C 0 48,-4.3 48,-3.5 -2,-0.4 2,-0.4 -0.952 17.3-178.8-113.4 116.6 81.5 23.8 17.7 22 24 A S + 0 0 39 -2,-0.5 -18,-1.1 -18,-0.2 2,-0.2 -0.746 12.3 165.3-124.7 82.5 80.0 24.7 21.1 23 25 A G B > -A 3 0A 4 -2,-0.4 3,-0.9 -20,-0.3 -20,-0.3 -0.584 49.3-101.9 -92.1 164.6 80.8 22.1 23.6 24 26 A E T 3 S+ 0 0 85 -22,-2.1 -21,-0.1 1,-0.3 -1,-0.1 0.751 113.4 21.2 -58.6 -36.9 80.5 22.5 27.4 25 27 A K T 3 + 0 0 114 -23,-0.2 2,-2.9 1,-0.1 -1,-0.3 -0.073 65.0 163.6-125.4 35.4 84.2 23.1 28.3 26 28 A L < + 0 0 9 -3,-0.9 2,-0.5 41,-0.2 3,-0.5 0.403 56.7 93.8 -44.6 11.0 85.9 24.4 25.0 27 29 A G S S+ 0 0 40 -2,-2.9 3,-0.1 1,-0.2 40,-0.0 -0.949 82.3 35.9-104.3 128.2 88.7 25.6 27.3 28 30 A D S S+ 0 0 113 -2,-0.5 63,-0.6 1,-0.3 2,-0.3 0.733 101.7 109.8 94.5 40.0 91.4 22.8 27.5 29 31 A A E -C 90 0B 9 -3,-0.5 2,-0.7 61,-0.2 -1,-0.3 -0.998 57.0-155.8-148.8 138.3 90.8 21.9 23.8 30 32 A Y E -C 89 0B 118 59,-1.5 59,-1.7 -2,-0.3 2,-0.3 -0.954 29.2-149.6-114.6 103.3 92.6 22.2 20.5 31 33 A V E -C 88 0B 0 -2,-0.7 18,-0.5 17,-0.3 2,-0.3 -0.661 14.3-171.6 -81.8 137.5 89.9 22.1 17.9 32 34 A C E -C 87 0B 19 55,-2.3 55,-3.4 -2,-0.3 2,-0.5 -0.872 16.2-136.3-121.1 147.4 90.7 20.6 14.5 33 35 A W E -CD 86 46B 0 13,-2.4 12,-4.2 -2,-0.3 13,-0.8 -0.967 15.9-165.0-120.3 121.0 88.3 20.8 11.6 34 36 A Y E -CD 85 44B 9 51,-3.0 51,-2.6 -2,-0.5 2,-0.4 -0.860 1.7-166.8-106.4 137.1 87.6 17.8 9.4 35 37 A Q E -CD 84 43B 14 8,-3.0 8,-1.9 -2,-0.4 2,-0.4 -0.969 2.7-173.3-119.4 136.4 86.0 18.0 6.0 36 38 A Q E -C 83 0B 21 47,-1.0 47,-1.4 -2,-0.4 3,-0.2 -0.938 12.4-152.0-136.2 109.6 84.7 14.8 4.1 37 39 A R - 0 0 121 -2,-0.4 45,-0.2 4,-0.3 42,-0.0 -0.629 65.6 -43.3 -80.8 132.7 83.4 15.3 0.5 38 40 A P S S- 0 0 107 0, 0.0 -1,-0.2 0, 0.0 44,-0.0 0.463 121.9 -30.3 -2.7 84.1 80.8 12.6 -0.4 39 41 A G S S+ 0 0 64 -3,-0.2 2,-0.3 1,-0.2 -2,-0.1 0.977 105.5 120.9 54.3 89.9 82.3 9.5 1.0 40 42 A Q S S- 0 0 106 3,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.896 73.6 -61.8-161.4 175.6 86.0 10.1 0.8 41 43 A S - 0 0 25 -2,-0.3 -4,-0.3 269,-0.1 271,-0.1 -0.663 65.0-116.4 -69.7 121.0 89.1 10.2 3.0 42 44 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 0.120 25.3-146.3 -52.6 173.4 88.5 13.2 5.3 43 45 A V E -D 35 0B 35 -8,-1.9 -8,-3.0 -3,-0.1 2,-0.4 -0.949 9.1-131.2-147.1 130.1 90.7 16.3 5.2 44 46 A V E +D 34 0B 8 -2,-0.3 -10,-0.3 -10,-0.2 3,-0.1 -0.736 24.9 174.6 -86.8 135.4 91.8 18.5 8.1 45 47 A V E + 0 0 2 -12,-4.2 2,-0.3 -2,-0.4 -11,-0.1 0.607 65.3 22.1-112.0 -16.8 91.3 22.2 7.5 46 48 A I E +D 33 0B 0 -13,-0.8 -13,-2.4 6,-0.1 -1,-0.3 -0.976 60.5 177.6-152.9 144.6 92.2 23.7 10.9 47 49 A Y B >> +I 51 0D 43 4,-3.0 4,-1.9 -2,-0.3 3,-1.3 -0.902 69.4 23.5-141.3 166.3 94.2 22.6 14.0 48 50 A Q T 34 S- 0 0 79 1,-0.3 -17,-0.3 -2,-0.3 -16,-0.2 0.252 126.5 -78.5 60.4 -20.5 95.2 24.0 17.3 49 51 A D T 34 S+ 0 0 20 -18,-0.5 -1,-0.3 2,-0.4 21,-0.1 -0.036 124.0 21.4 121.5 -33.3 92.1 26.0 16.5 50 52 A N T <4 S+ 0 0 81 -3,-1.3 2,-0.5 11,-0.1 -2,-0.2 0.403 93.0 105.1-140.3 -18.8 93.5 28.6 14.0 51 53 A R B < -I 47 0D 134 -4,-1.9 -4,-3.0 10,-0.1 -2,-0.4 -0.721 59.0-149.6 -77.5 123.3 96.7 27.0 12.7 52 54 A R - 0 0 62 -2,-0.5 -6,-0.1 -6,-0.2 3,-0.1 -0.679 10.1-132.5 -92.2 139.8 96.2 25.7 9.2 53 55 A P - 0 0 9 0, 0.0 3,-0.5 0, 0.0 254,-0.2 -0.259 48.2 -64.7 -79.0-175.2 98.2 22.6 8.1 54 56 A S S S+ 0 0 41 252,-0.6 254,-0.3 1,-0.2 252,-0.1 -0.421 108.2 20.8 -89.5 152.4 99.9 22.9 4.7 55 57 A G S S+ 0 0 85 1,-0.4 -1,-0.2 -2,-0.2 252,-0.0 0.232 94.1 117.3 87.8 -12.9 98.9 23.2 1.1 56 58 A I - 0 0 37 -3,-0.5 -1,-0.4 1,-0.1 -4,-0.1 -0.654 63.8-124.3 -87.6 142.7 95.6 24.5 2.4 57 59 A P - 0 0 65 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.012 17.7-115.5 -75.0 178.3 94.4 28.0 1.5 58 60 A E S S+ 0 0 121 1,-0.2 -2,-0.0 -6,-0.0 15,-0.0 -0.031 92.4 98.1-108.2 28.9 93.4 30.7 4.0 59 61 A R S S+ 0 0 66 15,-0.1 15,-1.4 14,-0.1 2,-0.3 0.573 82.2 71.9 -82.6 -14.8 89.8 30.9 2.8 60 62 A F E +H 73 0C 11 -3,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.672 60.7 156.3 -97.3 150.1 89.6 28.7 5.9 61 63 A S E -H 72 0C 27 11,-1.2 11,-3.1 -2,-0.3 2,-0.3 -0.814 17.3-164.6-173.0 143.8 90.0 30.1 9.4 62 64 A G E -H 71 0C 6 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.903 11.0-174.1-136.9 158.4 88.8 28.7 12.8 63 65 A S E -H 70 0C 65 7,-2.1 7,-1.3 -2,-0.3 2,-0.1 -0.927 23.0-134.9-152.1 175.3 88.5 30.3 16.3 64 66 A S E +H 69 0C 43 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.430 18.4 169.6-145.3 77.4 87.8 30.1 20.0 65 67 A S E > S-H 68 0C 90 3,-1.4 3,-3.9 -2,-0.1 2,-0.4 -0.729 73.1 -68.5 -81.4 114.0 85.7 32.7 21.9 66 68 A G T 3 S+ 0 0 57 -2,-0.6 -1,-0.1 1,-0.3 3,-0.0 -0.008 124.9 1.6 36.5 -86.9 85.2 31.0 25.3 67 69 A N T 3 S+ 0 0 86 -2,-0.4 2,-0.5 1,-0.1 -1,-0.3 0.208 116.5 89.0-112.6 18.8 82.9 28.1 24.4 68 70 A T E < - H 0 65C 47 -3,-3.9 -3,-1.4 -46,-0.2 2,-0.6 -0.955 47.4-175.4-128.1 113.5 82.7 28.6 20.7 69 71 A A E -GH 21 64C 0 -48,-3.5 -48,-4.3 -2,-0.5 2,-0.3 -0.936 24.8-165.8 -97.7 114.9 85.1 27.1 18.3 70 72 A T E -GH 20 63C 24 -7,-1.3 -7,-2.1 -2,-0.6 2,-0.5 -0.866 15.3-149.5-111.6 147.7 84.0 28.6 14.9 71 73 A L E -GH 19 62C 0 -52,-6.0 -52,-2.0 -2,-0.3 2,-0.3 -0.983 14.5-167.0-119.9 121.8 84.8 27.6 11.3 72 74 A T E -GH 18 61C 36 -11,-3.1 -11,-1.2 -2,-0.5 2,-0.4 -0.832 6.0-176.6-106.4 140.3 84.9 30.3 8.7 73 75 A I E -GH 17 60C 0 -56,-0.6 -56,-0.7 -2,-0.3 3,-0.3 -0.989 12.1-149.6-140.6 133.2 85.1 29.7 4.9 74 76 A S S S+ 0 0 57 -15,-1.4 -59,-0.1 -2,-0.4 -15,-0.1 -0.683 70.5 7.4-102.0 156.1 85.3 32.5 2.2 75 77 A G S S- 0 0 44 -61,-0.5 2,-0.3 -2,-0.3 -1,-0.2 0.879 81.4-145.6 40.1 62.7 84.0 32.4 -1.3 76 78 A T + 0 0 4 -61,-0.8 -62,-0.3 -62,-0.7 -1,-0.2 -0.377 23.4 177.5 -66.4 122.7 82.0 29.2 -1.1 77 79 A Q > - 0 0 94 -2,-0.3 3,-1.0 -64,-0.1 4,-0.1 -0.463 47.2 -98.6-105.3 178.6 81.9 27.2 -4.3 78 80 A T G > S+ 0 0 99 1,-0.2 3,-3.0 -2,-0.2 27,-0.1 0.905 118.1 71.9 -67.3 -44.6 80.3 23.8 -4.9 79 81 A L G 3 S+ 0 0 120 1,-0.3 -1,-0.2 -42,-0.0 -3,-0.0 0.580 91.0 62.7 -41.3 -20.8 83.7 22.2 -4.4 80 82 A D G < S+ 0 0 8 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.550 71.0 119.3 -87.9 -18.0 83.3 23.0 -0.7 81 83 A E < + 0 0 55 -3,-3.0 2,-0.3 -4,-0.1 23,-0.1 -0.303 40.3 106.7 -58.6 125.9 80.2 20.9 0.0 82 84 A A E S- E 0 103B 4 21,-0.8 21,-1.5 19,-0.2 2,-0.5 -0.934 72.9 -73.0-176.1-169.6 80.9 18.3 2.7 83 85 A D E -CE 36 102B 32 -47,-1.4 -47,-1.0 -2,-0.3 2,-0.6 -0.980 41.4-147.7-113.9 123.4 80.3 17.4 6.3 84 86 A Y E -C 35 0B 0 17,-0.8 2,-0.4 -2,-0.5 -49,-0.2 -0.876 16.2-174.7 -99.0 118.9 82.2 19.5 8.7 85 87 A Y E -C 34 0B 20 -51,-2.6 -51,-3.0 -2,-0.6 2,-0.5 -0.885 14.9-145.7-111.9 141.0 83.3 17.7 11.9 86 88 A a E -C 33 0B 0 -2,-0.4 12,-2.1 -53,-0.2 2,-0.5 -0.983 7.9-153.5-110.0 116.3 85.0 19.6 14.7 87 89 A Q E -CF 32 97B 1 -55,-3.4 -55,-2.3 -2,-0.5 2,-0.6 -0.833 8.0-163.3 -92.9 129.5 87.6 17.5 16.6 88 90 A V E -CF 31 96B 1 8,-2.1 8,-1.9 -2,-0.5 2,-0.8 -0.970 5.8-155.5-114.5 102.6 88.0 18.8 20.2 89 91 A W E -CF 30 95B 43 -59,-1.7 2,-1.6 -2,-0.6 -59,-1.5 -0.800 10.2-150.4 -83.3 113.5 91.2 17.6 21.8 90 92 A D E >> -CF 29 94B 4 4,-2.7 3,-0.9 -2,-0.8 4,-0.8 -0.613 27.8-119.2 -91.6 75.7 90.3 17.8 25.5 91 93 A S T 34 S+ 0 0 38 -2,-1.6 -1,-0.1 -63,-0.6 -62,-0.1 -0.059 93.1 47.8 38.0-104.3 93.8 18.4 26.8 92 94 A N T 34 S- 0 0 123 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.622 130.3 -47.7 -32.9 -57.5 94.8 15.5 29.1 93 95 A A T <4 S+ 0 0 38 -3,-0.9 174,-1.5 1,-0.1 2,-0.2 0.363 105.9 94.4-159.1 -26.7 93.9 12.2 27.3 94 95AA S E < -F 90 0B 28 -4,-0.8 -4,-2.7 172,-0.2 2,-0.3 -0.570 43.5-169.8 -93.5 148.0 90.3 12.6 26.0 95 96 A V E -F 89 0B 35 172,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.939 4.8-174.1-135.7 149.8 88.5 13.7 22.8 96 97 A V E -F 88 0B 40 -8,-1.9 -8,-2.1 -2,-0.3 2,-0.4 -0.895 12.6-153.3-133.9 161.5 85.0 14.5 21.7 97 98 A F E -F 87 0B 25 -2,-0.3 -10,-0.2 -10,-0.2 -94,-0.2 -0.972 17.6-121.1-150.0 126.0 83.8 15.2 18.2 98 99 A G - 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