==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-FEB-11 3QOS . COMPND 2 MOLECULE: B3 (IGKV4-1) LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TEPLYAKOV,G.OBMOLOVA,T.MALIA,G.GILLILAND . 870 6 9 8 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 580 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 353 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 1 0.1 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 . 103 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 2 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 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 7 9 13 4 9 18 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 10 1 3 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 0 129 0, 0.0 2,-0.4 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0 102.1 51.9 67.4 11.7 2 2 L I - 0 0 2 99,-0.3 2,-0.5 97,-0.1 94,-0.1 -0.514 360.0-146.1 -67.7 122.1 51.6 66.0 15.3 3 3 L V - 0 0 85 -2,-0.4 23,-1.6 100,-0.1 2,-0.5 -0.811 6.7-153.4 -92.2 123.9 52.1 62.3 15.3 4 4 L M E -A 25 0A 10 -2,-0.5 2,-0.5 100,-0.4 102,-0.3 -0.866 11.6-171.2 -98.2 125.5 50.0 60.4 17.9 5 5 L T E -A 24 0A 77 19,-2.4 19,-2.7 -2,-0.5 2,-0.3 -0.972 3.5-161.7-122.8 120.9 51.4 57.1 19.1 6 6 L Q E -A 23 0A 4 -2,-0.5 17,-0.2 17,-0.2 100,-0.0 -0.709 13.7-127.1 -99.8 149.4 49.4 54.8 21.3 7 7 L S E S+A 22 0A 70 15,-2.5 15,-3.2 -2,-0.3 2,-0.1 -0.973 79.8 22.7-144.5 129.8 50.8 51.9 23.4 8 8 L P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.636 59.8-156.0 -86.0-179.6 49.9 49.1 23.3 9 9 L D S S+ 0 0 99 1,-0.3 100,-2.9 99,-0.1 2,-0.4 0.822 86.5 23.0 -76.6 -35.8 48.1 48.2 20.0 10 10 L S E -d 109 0B 88 98,-0.2 2,-0.4 81,-0.0 -1,-0.3 -0.998 66.4-176.0-138.9 137.2 46.2 45.3 21.8 11 11 L L E -d 110 0B 40 98,-2.9 100,-3.7 -2,-0.4 2,-0.5 -0.998 8.4-165.4-135.1 134.2 45.2 44.8 25.4 12 12 L A E +d 111 0B 46 -2,-0.4 2,-0.4 98,-0.2 100,-0.2 -0.981 20.6 170.4-123.4 118.4 43.5 41.8 27.0 13 13 L V E -d 112 0B 9 98,-2.4 100,-2.0 -2,-0.5 3,-0.1 -0.964 32.7-111.7-134.3 139.4 42.2 42.5 30.5 14 14 L S E > -d 113 0B 37 -2,-0.4 3,-2.0 98,-0.2 70,-0.3 -0.326 47.1 -88.0 -68.7 152.8 39.9 40.5 32.9 15 15 L L T 3 S+ 0 0 28 98,-0.6 70,-0.2 1,-0.3 -1,-0.1 -0.416 116.6 20.6 -61.6 133.1 36.5 41.8 33.7 16 16 L G T 3 S+ 0 0 8 68,-2.8 67,-0.5 1,-0.4 -1,-0.3 0.259 103.4 110.7 87.6 -10.4 36.6 44.1 36.7 17 17 L E S < S- 0 0 94 -3,-2.0 67,-3.1 67,-0.2 2,-0.4 -0.339 74.5 -92.9 -86.4 176.8 40.3 44.8 36.2 18 18 L R - 0 0 173 65,-0.2 2,-0.5 64,-0.2 64,-0.2 -0.737 28.4-159.6 -95.2 133.2 42.0 48.0 35.1 19 19 L A E - B 0 81A 0 62,-3.5 62,-3.6 -2,-0.4 2,-0.4 -0.960 9.6-170.4-110.3 129.2 42.8 48.8 31.5 20 20 L T E - B 0 80A 70 -2,-0.5 2,-0.5 60,-0.2 60,-0.2 -0.975 3.4-171.7-123.8 130.3 45.5 51.5 30.8 21 21 L I E - B 0 79A 0 58,-3.3 58,-3.0 -2,-0.4 2,-0.3 -0.974 11.4-148.4-125.0 122.4 46.2 52.9 27.4 22 22 L N E -AB 7 78A 44 -15,-3.2 -15,-2.5 -2,-0.5 2,-0.4 -0.689 12.0-173.4 -93.2 142.4 49.2 55.3 26.7 23 23 L a E -AB 6 77A 0 54,-3.1 54,-2.4 -2,-0.3 2,-0.4 -0.995 3.2-169.1-133.7 130.0 49.3 58.1 24.1 24 24 L K E -AB 5 76A 92 -19,-2.7 -19,-2.4 -2,-0.4 2,-0.4 -0.978 8.3-154.6-120.0 126.9 52.3 60.2 23.1 25 25 L S E -A 4 0A 3 50,-1.5 -21,-0.2 -2,-0.4 4,-0.1 -0.833 18.5-135.9 -97.2 133.4 52.0 63.4 21.0 26 26 L S S S+ 0 0 75 -23,-1.6 2,-0.3 -2,-0.4 -1,-0.1 0.647 94.2 31.5 -64.9 -16.3 55.1 64.4 19.0 27 27 L Q S S- 0 0 106 -24,-0.1 2,-0.1 47,-0.1 -2,-0.0 -0.966 100.8 -93.0-135.6 152.2 54.5 68.0 20.1 28 28 L S - 0 0 53 -2,-0.3 47,-0.2 1,-0.1 -2,-0.1 -0.428 26.3-166.5 -65.3 136.2 53.0 69.4 23.3 29 29 L V + 0 0 0 45,-1.7 9,-2.3 -2,-0.1 2,-0.6 0.239 51.0 118.3-108.3 9.5 49.2 70.0 23.0 30 30 L L E -J 37 0C 43 7,-0.3 2,-0.7 44,-0.1 7,-0.2 -0.710 60.6-142.2 -79.3 117.1 49.1 72.1 26.2 31 31 L Y E >> -J 36 0C 111 5,-2.5 4,-2.1 -2,-0.6 5,-0.8 -0.750 2.1-149.5 -88.6 111.9 48.0 75.6 25.3 32 32 L S T 45S+ 0 0 111 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.823 89.9 60.0 -46.5 -46.3 49.9 78.2 27.4 33 33 L S T 45S+ 0 0 103 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.919 124.6 14.5 -52.4 -56.3 47.0 80.7 27.4 34 34 L N T 45S- 0 0 56 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.444 95.7-128.4-102.6 -2.9 44.4 78.5 29.1 35 35 L N T <5 + 0 0 117 -4,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.944 62.8 134.8 48.4 56.2 46.7 75.8 30.4 36 36 L K E < -J 31 0C 65 -5,-0.8 -5,-2.5 -7,-0.1 2,-0.4 -0.994 56.1-123.7-132.4 140.0 44.5 73.1 28.9 37 37 L N E -J 30 0C 15 19,-0.5 2,-1.5 -2,-0.4 -7,-0.3 -0.702 14.0-140.6 -86.7 131.6 45.7 70.0 26.9 38 38 L Y + 0 0 32 -9,-2.3 59,-1.2 -2,-0.4 60,-0.5 -0.617 60.0 120.2 -95.4 77.6 44.2 69.7 23.4 39 39 L L E -E 96 0B 0 -2,-1.5 18,-2.5 57,-0.2 17,-0.3 -0.999 39.4-169.8-148.7 132.4 43.7 66.0 23.5 40 40 L A E -E 95 0B 0 55,-3.1 55,-2.2 -2,-0.3 2,-0.4 -0.906 13.6-143.9-127.8 153.7 40.7 63.7 23.3 41 41 L W E -EF 94 54B 0 13,-2.3 12,-3.3 -2,-0.3 13,-1.5 -0.978 18.6-169.1-117.4 130.5 39.8 60.1 23.8 42 42 L Y E -EF 93 52B 0 51,-3.0 51,-2.4 -2,-0.4 2,-0.4 -0.902 11.7-150.6-117.7 148.1 37.3 58.2 21.6 43 43 L Q E -EF 92 51B 13 8,-2.8 8,-2.5 -2,-0.3 2,-0.5 -0.976 12.8-169.4-112.7 128.3 35.7 54.8 21.9 44 44 L Q E -E 91 0B 18 47,-3.0 47,-2.4 -2,-0.4 3,-0.1 -0.926 1.8-169.3-124.9 112.2 34.8 52.9 18.7 45 45 L K > - 0 0 56 -2,-0.5 3,-2.3 4,-0.4 45,-0.1 -0.605 45.7 -78.4 -88.1 153.0 32.6 49.8 18.8 46 46 L P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 125,-0.0 -0.224 116.6 10.7 -57.0 136.3 32.2 47.6 15.7 47 47 L G T 3 S+ 0 0 81 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.355 111.9 98.5 81.3 -5.2 29.8 49.1 13.2 48 48 L Q S < S- 0 0 100 -3,-2.3 -1,-0.3 1,-0.1 3,-0.1 -0.729 75.4-109.9-112.9 160.1 29.5 52.4 15.1 49 49 L P - 0 0 15 0, 0.0 -4,-0.4 0, 0.0 283,-0.1 -0.418 55.4 -77.6 -74.3 164.1 31.1 55.9 14.7 50 50 L P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.356 45.0-147.8 -57.9 145.2 33.7 57.0 17.3 51 51 L K E -F 43 0B 91 -8,-2.5 -8,-2.8 -3,-0.1 2,-0.3 -0.983 17.4-120.1-118.9 127.4 32.1 58.2 20.5 52 52 L L E +F 42 0B 10 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.507 37.3 165.9 -70.9 128.4 33.9 60.9 22.5 53 53 L L E + 0 0 2 -12,-3.3 8,-2.8 1,-0.3 2,-0.4 0.801 62.2 17.5-104.8 -50.2 34.9 59.9 26.0 54 54 L I E -FG 41 60B 0 -13,-1.5 -13,-2.3 6,-0.2 -1,-0.3 -0.986 55.2-177.8-134.8 134.7 37.3 62.5 27.2 55 55 L Y E >> S+ G 0 59B 38 4,-3.0 4,-2.4 -2,-0.4 3,-0.5 -0.902 73.1 31.8-124.0 160.5 38.2 66.1 26.2 56 56 L W T 34 S- 0 0 17 -17,-0.3 2,-0.8 -2,-0.3 -19,-0.5 0.767 121.6 -84.1 65.3 26.3 40.9 68.4 27.7 57 57 L A T 34 S+ 0 0 1 -18,-2.5 -1,-0.3 1,-0.2 21,-0.2 0.011 127.9 33.1 66.8 -28.9 42.9 65.2 28.4 58 58 L S T <4 S+ 0 0 75 -2,-0.8 2,-0.5 -3,-0.5 12,-0.3 0.452 87.3 106.5-135.7 -6.5 40.9 64.7 31.7 59 59 L T E < -G 55 0B 50 -4,-2.4 -4,-3.0 10,-0.1 2,-0.4 -0.723 60.7-137.0 -92.0 124.2 37.4 66.0 31.2 60 60 L R E -G 54 0B 92 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.606 17.0-125.9 -80.6 124.8 34.7 63.4 31.0 61 61 L E > - 0 0 42 -8,-2.8 3,-1.7 -2,-0.4 -1,-0.1 -0.269 43.9 -80.8 -60.4 156.3 32.0 63.9 28.3 62 62 L S T 3 S+ 0 0 41 1,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.349 116.1 18.8 -64.1 137.2 28.4 63.8 29.5 63 63 L G T 3 S+ 0 0 56 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.360 90.9 126.8 84.5 -4.6 26.9 60.4 30.0 64 64 L V < - 0 0 8 -3,-1.7 -1,-0.3 -11,-0.1 -4,-0.0 -0.785 63.5-116.1 -89.6 119.8 30.4 58.7 30.1 65 65 L P > - 0 0 24 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.022 18.2-113.1 -56.3 157.0 30.8 56.6 33.3 66 66 L D T 3 S+ 0 0 128 1,-0.3 16,-0.1 383,-0.0 384,-0.1 0.691 107.0 77.5 -62.5 -24.3 33.3 57.3 36.1 67 67 L R T 3 S+ 0 0 13 382,-0.1 15,-2.7 14,-0.1 2,-0.6 0.704 82.3 76.7 -64.0 -20.2 35.3 54.2 35.3 68 68 L F E < +C 81 0A 4 -3,-1.4 2,-0.4 13,-0.2 13,-0.2 -0.843 64.8 169.0 -89.4 120.3 36.8 56.0 32.2 69 69 L S E -C 80 0A 49 11,-2.8 11,-3.1 -2,-0.6 2,-0.4 -0.998 20.4-156.0-137.5 137.7 39.5 58.5 33.3 70 70 L G E +C 79 0A 11 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.882 20.1 164.1-113.5 142.7 42.0 60.5 31.3 71 71 L S E +C 78 0A 58 7,-2.1 7,-2.4 -2,-0.4 2,-0.1 -0.893 22.1 76.5-147.3 170.9 45.3 61.9 32.7 72 72 L G E -C 77 0A 38 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.425 47.4-132.8 111.5 174.3 48.6 63.3 31.5 73 73 L S E > +C 76 0A 65 3,-1.5 3,-1.7 -2,-0.1 2,-1.1 -0.974 63.0 1.0-161.3 154.4 49.9 66.6 30.2 74 74 L G T 3 S- 0 0 12 -2,-0.3 -45,-1.7 1,-0.3 -47,-0.1 -0.477 130.8 -11.9 71.9 -97.0 52.0 67.9 27.3 75 75 L T T 3 S+ 0 0 54 -2,-1.1 -50,-1.5 -47,-0.2 2,-0.5 0.501 122.7 70.8-118.2 -10.7 53.2 64.9 25.3 76 76 L D E < +BC 24 73A 64 -3,-1.7 -3,-1.5 -52,-0.2 2,-0.3 -0.944 55.7 166.3-114.8 133.0 52.3 62.0 27.6 77 77 L F E -BC 23 72A 0 -54,-2.4 -54,-3.1 -2,-0.5 2,-0.4 -0.978 15.2-160.7-142.3 150.5 48.7 60.9 28.2 78 78 L T E -BC 22 71A 30 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.5 -0.996 7.9-156.8-138.4 131.7 46.9 57.9 29.6 79 79 L L E -BC 21 70A 0 -58,-3.0 -58,-3.3 -2,-0.4 2,-0.5 -0.940 18.1-167.7-102.1 126.9 43.4 56.5 29.4 80 80 L T E -BC 20 69A 17 -11,-3.1 -11,-2.8 -2,-0.5 2,-0.6 -0.964 12.2-168.6-115.9 130.0 42.4 54.3 32.3 81 81 L I E -BC 19 68A 0 -62,-3.6 -62,-3.5 -2,-0.5 3,-0.4 -0.954 14.9-165.3-112.7 108.5 39.4 52.2 32.3 82 82 L S + 0 0 36 -15,-2.7 -64,-0.2 -2,-0.6 3,-0.2 -0.478 69.1 17.4 -84.6 164.4 38.9 50.9 35.9 83 83 L S S S- 0 0 8 -67,-0.5 -1,-0.2 1,-0.1 -65,-0.2 0.878 90.5-140.1 40.4 61.2 36.5 48.0 36.6 84 84 L L - 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