==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-FEB-11 3QOT . COMPND 2 MOLECULE: B3 (IGKV4-1) LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TEPLYAKOV,G.OBMOLOVA,T.MALIA,G.GILLILAND . 431 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19248.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 39.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 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-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 . 50 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 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 1 0 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 . 3 6 5 3 4 8 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 . 1 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 0 L M 0 0 204 0, 0.0 2,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 21.3 8.7 54.6 10.1 2 1 L D - 0 0 89 1,-0.1 2,-0.6 101,-0.0 101,-0.1 -0.435 360.0-112.4 -57.2 140.6 9.3 51.8 12.7 3 2 L I - 0 0 2 99,-0.4 2,-0.5 97,-0.2 94,-0.2 -0.730 31.1-149.0 -84.1 120.7 8.0 48.5 11.1 4 3 L V - 0 0 83 -2,-0.6 23,-1.7 100,-0.0 2,-0.5 -0.778 5.4-155.1 -93.7 130.2 5.0 47.4 13.0 5 4 L M E -A 26 0A 11 -2,-0.5 2,-0.5 100,-0.5 102,-0.2 -0.908 10.3-172.3-106.6 126.8 4.4 43.6 13.3 6 5 L T E -A 25 0A 80 19,-2.9 19,-2.8 -2,-0.5 2,-0.3 -0.974 5.3-158.7-124.2 122.4 0.8 42.4 13.9 7 6 L Q E -A 24 0A 4 -2,-0.5 17,-0.2 17,-0.2 100,-0.0 -0.687 11.9-131.0 -97.0 152.6 -0.1 38.8 14.6 8 7 L S E S+A 23 0A 70 15,-2.1 15,-3.5 -2,-0.3 2,-0.2 -0.964 79.2 26.4-147.1 136.1 -3.5 37.0 14.1 9 8 L P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.674 65.4-153.8 -77.8 179.1 -5.0 35.3 16.0 10 9 L D S S+ 0 0 102 1,-0.3 100,-2.3 -2,-0.2 2,-0.3 0.776 82.4 11.0 -80.6 -30.1 -4.0 36.4 19.5 11 10 L S E -d 110 0B 70 98,-0.3 2,-0.3 81,-0.0 -1,-0.3 -0.996 66.2-179.7-148.3 143.8 -4.9 33.0 20.9 12 11 L L E -d 111 0B 22 98,-2.5 100,-2.3 -2,-0.3 2,-0.4 -0.996 7.4-171.6-144.4 150.0 -5.7 29.6 19.5 13 12 L A E +d 112 0B 41 -2,-0.3 2,-0.3 98,-0.2 100,-0.2 -0.960 15.3 165.4-141.7 124.6 -6.6 26.2 20.9 14 13 L V E -d 113 0B 28 98,-1.6 100,-2.3 -2,-0.4 3,-0.1 -0.859 39.8 -91.7-131.6 164.5 -6.9 23.0 18.7 15 14 L S E > -d 114 0B 49 -2,-0.3 3,-2.2 98,-0.2 70,-0.3 -0.360 59.6 -75.6 -75.3 158.8 -7.0 19.3 19.5 16 15 L L T 3 S+ 0 0 106 98,-0.7 70,-0.2 1,-0.3 -1,-0.2 -0.257 120.4 16.7 -53.8 133.3 -3.8 17.2 19.5 17 16 L G T 3 S+ 0 0 35 68,-3.4 -1,-0.3 1,-0.3 2,-0.2 0.407 96.8 123.5 81.7 -2.9 -2.6 16.5 16.0 18 17 L E S < S- 0 0 99 -3,-2.2 67,-2.9 67,-0.2 -1,-0.3 -0.519 70.2 -96.1 -84.8 159.2 -4.7 19.3 14.4 19 18 L R - 0 0 178 65,-0.2 2,-0.4 -2,-0.2 64,-0.2 -0.532 33.6-158.7 -75.6 138.9 -3.1 22.0 12.3 20 19 L A E - B 0 82A 2 62,-2.7 62,-2.9 -2,-0.2 2,-0.4 -0.985 6.4-164.8-118.6 133.8 -2.3 25.3 14.0 21 20 L T E - B 0 81A 51 -2,-0.4 2,-0.4 60,-0.2 60,-0.2 -0.971 7.1-175.6-124.6 127.7 -1.9 28.5 11.9 22 21 L I E - B 0 80A 0 58,-2.7 58,-3.0 -2,-0.4 2,-0.3 -0.983 11.3-157.1-127.1 123.0 -0.3 31.8 13.1 23 22 L N E -AB 8 79A 59 -15,-3.5 -15,-2.1 -2,-0.4 2,-0.4 -0.713 7.8-171.2-104.8 152.3 -0.3 34.9 10.9 24 23 L a E -AB 7 78A 0 54,-2.7 54,-2.9 -2,-0.3 2,-0.4 -0.985 1.7-168.4-143.8 126.7 2.0 37.9 11.0 25 24 L K E -AB 6 77A 131 -19,-2.8 -19,-2.9 -2,-0.4 2,-0.3 -0.957 8.7-151.9-119.3 135.5 1.7 41.1 8.9 26 25 L S E -A 5 0A 9 50,-2.3 -21,-0.2 -2,-0.4 4,-0.1 -0.819 17.0-135.3-105.0 146.3 4.4 43.7 8.7 27 26 L S S S+ 0 0 69 -23,-1.7 2,-0.3 -2,-0.3 -22,-0.1 0.650 93.7 27.6 -77.5 -15.0 3.5 47.4 8.1 28 27 L Q S S- 0 0 78 -24,-0.2 2,-0.0 47,-0.1 -2,-0.0 -0.958 102.6 -86.8-136.5 155.3 6.3 47.7 5.4 29 28 L S - 0 0 56 -2,-0.3 47,-0.2 1,-0.1 -2,-0.1 -0.354 27.2-165.4 -60.2 139.8 7.8 45.0 3.2 30 29 L V + 0 0 0 45,-2.2 9,-2.7 -4,-0.1 2,-0.6 0.132 52.1 118.5-111.2 17.1 10.7 43.1 4.7 31 30 L L E -J 38 0C 50 7,-0.2 2,-0.6 44,-0.1 7,-0.2 -0.771 59.5-142.7 -82.8 115.6 11.8 41.7 1.3 32 31 L Y E >>> -J 37 0C 99 5,-3.0 4,-1.6 -2,-0.6 3,-1.0 -0.744 3.9-151.1 -84.1 116.8 15.3 42.8 0.5 33 32 L S T 345S+ 0 0 119 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.805 88.1 56.9 -50.8 -43.2 15.6 43.5 -3.3 34 33 L S T 345S+ 0 0 94 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.659 125.0 18.7 -79.4 -16.0 19.3 42.7 -3.7 35 34 L N T <45S- 0 0 58 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.381 94.5-126.8-127.7 0.2 19.1 39.1 -2.3 36 35 L N T <5 + 0 0 121 -4,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.814 63.4 138.9 53.3 35.3 15.4 38.3 -2.6 37 36 L K E < -J 32 0C 87 -5,-0.9 -5,-3.0 37,-0.0 2,-0.6 -0.875 52.4-133.6-108.6 143.3 15.3 37.3 1.1 38 37 L N E -J 31 0C 15 19,-0.4 2,-1.9 -2,-0.4 -7,-0.2 -0.856 12.5-144.0 -94.1 120.1 12.6 38.1 3.7 39 38 L Y + 0 0 22 -9,-2.7 59,-2.3 -2,-0.6 60,-0.5 -0.519 57.5 124.5 -87.3 75.1 14.1 39.4 7.0 40 39 L L E -E 97 0B 0 -2,-1.9 18,-3.0 57,-0.2 2,-0.3 -0.999 35.7-176.1-143.4 130.3 11.5 37.7 9.1 41 40 L A E -E 96 0B 0 55,-2.7 55,-2.1 -2,-0.4 2,-0.4 -0.875 13.2-145.2-128.6 159.0 11.9 35.2 12.0 42 41 L W E -EF 95 55B 0 13,-2.2 12,-3.0 -2,-0.3 13,-1.4 -0.979 14.2-168.4-126.4 143.2 9.7 33.1 14.3 43 42 L Y E -EF 94 53B 0 51,-2.7 51,-2.0 -2,-0.4 2,-0.4 -0.926 13.2-148.8-128.0 149.7 10.2 32.2 18.0 44 43 L Q E -EF 93 52B 15 8,-2.2 8,-2.7 -2,-0.3 2,-0.4 -0.970 17.9-170.8-113.2 134.8 8.6 29.8 20.5 45 44 L Q E -E 92 0B 15 47,-2.6 47,-2.6 -2,-0.4 3,-0.1 -0.975 5.0-170.2-132.8 123.5 8.5 30.8 24.1 46 45 L K > - 0 0 46 4,-0.4 3,-2.0 -2,-0.4 45,-0.1 -0.737 44.6 -75.4-104.5 157.1 7.5 28.7 27.1 47 46 L P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 125,-0.0 -0.189 116.8 11.0 -55.4 136.7 7.0 29.9 30.6 48 47 L G T 3 S+ 0 0 87 1,-0.2 -3,-0.0 -3,-0.1 0, 0.0 0.409 113.2 96.1 80.3 -1.6 10.2 30.7 32.5 49 48 L Q S < S- 0 0 101 -3,-2.0 -1,-0.2 1,-0.0 3,-0.1 -0.826 75.3-111.9-120.0 154.4 12.3 30.4 29.4 50 49 L P - 0 0 34 0, 0.0 -4,-0.4 0, 0.0 -6,-0.1 -0.364 53.2 -80.9 -68.9 164.0 13.7 32.7 26.8 51 50 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.348 42.6-142.0 -61.1 149.5 12.4 32.6 23.2 52 51 L K E -F 44 0B 107 -8,-2.7 -8,-2.2 -3,-0.1 2,-0.3 -0.971 17.5-117.7-118.4 129.7 13.7 29.9 21.0 53 52 L L E +F 43 0B 5 -2,-0.4 -10,-0.2 273,-0.4 3,-0.1 -0.504 39.9 162.4 -69.1 125.3 14.4 30.5 17.3 54 53 L L E + 0 0 2 -12,-3.0 8,-3.0 1,-0.4 2,-0.3 0.785 62.1 13.9-104.2 -46.4 12.3 28.3 15.0 55 54 L I E -FG 42 61B 1 -13,-1.4 -13,-2.2 6,-0.2 -1,-0.4 -0.983 56.7-179.7-138.6 138.8 12.4 30.0 11.5 56 55 L Y E > S+ G 0 60B 55 4,-2.3 4,-2.5 -2,-0.3 3,-0.4 -0.913 70.3 33.7-133.9 168.7 14.5 32.6 9.8 57 56 L W T 4 S- 0 0 37 -2,-0.3 2,-1.8 1,-0.3 -19,-0.4 0.831 123.2 -81.7 52.8 33.3 14.5 34.2 6.3 58 57 L A T 4 S+ 0 0 1 -18,-3.0 -1,-0.3 1,-0.2 21,-0.2 -0.132 126.1 28.8 71.1 -40.2 10.7 33.6 6.6 59 58 L S T 4 S+ 0 0 78 -2,-1.8 2,-0.6 -3,-0.4 12,-0.3 0.423 85.2 108.2-135.9 0.1 10.9 29.9 5.6 60 59 L T E < -G 56 0B 55 -4,-2.5 -4,-2.3 10,-0.1 2,-0.3 -0.750 63.3-133.3 -85.3 121.7 14.3 28.4 6.6 61 60 L R E -G 55 0B 94 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.548 21.3-119.5 -71.9 131.7 14.0 26.0 9.6 62 61 L E > - 0 0 47 -8,-3.0 3,-1.7 -2,-0.3 -1,-0.1 -0.405 44.3 -86.7 -63.4 148.8 16.6 26.5 12.3 63 62 L S T 3 S+ 0 0 112 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.323 115.3 23.6 -56.4 138.0 18.8 23.5 12.9 64 63 L G T 3 S+ 0 0 75 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.362 89.5 128.2 86.7 -5.2 17.2 21.0 15.4 65 64 L V < - 0 0 12 -3,-1.7 -1,-0.3 -11,-0.1 -4,-0.1 -0.716 64.6-109.4 -89.2 134.0 13.6 22.2 14.8 66 65 L P > - 0 0 47 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.242 22.7-118.7 -61.2 148.1 11.0 19.5 14.0 67 66 L D T 3 S+ 0 0 125 1,-0.3 16,-0.1 -6,-0.0 -2,-0.0 0.694 105.1 77.6 -61.3 -23.5 9.6 19.4 10.4 68 67 L R T 3 S+ 0 0 50 14,-0.1 15,-2.6 16,-0.1 2,-0.5 0.706 82.6 78.5 -63.6 -17.2 6.0 20.0 11.7 69 68 L F E < +C 82 0A 3 -3,-1.6 2,-0.4 13,-0.2 13,-0.2 -0.825 63.1 167.9 -90.9 125.2 7.0 23.7 12.0 70 69 L S E -C 81 0A 43 11,-2.4 11,-2.9 -2,-0.5 2,-0.4 -0.999 22.2-152.9-141.3 140.1 7.0 25.6 8.7 71 70 L G E +C 80 0A 10 -2,-0.4 2,-0.3 -12,-0.3 9,-0.2 -0.862 20.0 170.7-108.5 143.3 7.3 29.3 7.8 72 71 L S E +C 79 0A 57 7,-2.3 7,-2.4 -2,-0.4 2,-0.1 -0.937 21.4 76.5-142.5 167.0 5.8 30.8 4.6 73 72 L G E -C 78 0A 39 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.380 41.9-137.3 120.5 165.2 5.2 34.2 3.1 74 73 L S E > +C 77 0A 68 3,-1.0 3,-1.2 -2,-0.1 2,-1.2 -0.980 66.8 2.3-155.0 149.6 6.9 37.1 1.3 75 74 L G T 3 S- 0 0 14 -2,-0.3 -45,-2.2 1,-0.2 -47,-0.1 -0.611 129.9 -17.3 82.6 -97.8 6.7 40.9 1.5 76 75 L T T 3 S+ 0 0 51 -2,-1.2 -50,-2.3 -47,-0.2 2,-0.5 0.499 119.7 73.6-122.4 -9.1 4.3 41.8 4.2 77 76 L D E < +BC 25 74A 82 -3,-1.2 -3,-1.0 -52,-0.2 2,-0.3 -0.948 55.0 166.5-120.1 119.5 2.2 38.6 4.9 78 77 L F E -BC 24 73A 2 -54,-2.9 -54,-2.7 -2,-0.5 2,-0.4 -0.918 14.8-162.1-132.8 154.7 3.7 35.6 6.8 79 78 L T E -BC 23 72A 29 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.5 -0.999 11.1-156.0-139.8 136.0 2.5 32.5 8.4 80 79 L L E -BC 22 71A 0 -58,-3.0 -58,-2.7 -2,-0.4 2,-0.5 -0.961 22.4-167.5-102.8 123.9 3.8 29.9 10.9 81 80 L T E -BC 21 70A 25 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.6 -0.947 18.2-162.9-114.3 132.5 2.1 26.6 10.5 82 81 L I E -BC 20 69A 0 -62,-2.9 -62,-2.7 -2,-0.5 3,-0.4 -0.966 14.2-158.9-106.5 111.1 2.3 23.7 12.9 83 82 L S S S+ 0 0 66 -15,-2.6 2,-0.3 -2,-0.6 -1,-0.1 0.809 80.3 10.8 -65.7 -35.1 1.1 20.8 10.8 84 83 L S S S- 0 0 39 -16,-0.1 -1,-0.3 -65,-0.1 -65,-0.2 -0.845 86.3-133.6-147.0 100.6 0.1 18.5 13.6 85 84 L L - 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