==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/ANTIMICROBIAL PROTEIN 10-APR-09 3H0T . COMPND 2 MOLECULE: FAB FRAGMENT, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.SYED,V.LI . 461 3 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 39.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 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 . 1 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 0 PARALLEL BRIDGES PER LADDER . 4 7 6 3 5 5 3 1 0 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 . 2 0 3 2 3 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 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 N 0 0 165 0, 0.0 24,-0.0 0, 0.0 94,-0.0 0.000 360.0 360.0 360.0 21.4 -35.7 29.0 19.2 2 2 A F - 0 0 8 24,-0.1 2,-0.3 1,-0.1 25,-0.1 0.191 360.0-142.1 -50.0 168.5 -35.8 26.7 22.3 3 3 A M - 0 0 111 97,-0.1 22,-2.8 20,-0.0 2,-0.4 -0.914 6.3-137.8-132.1 159.4 -33.9 23.5 23.0 4 4 A L E -A 24 0A 10 97,-0.4 99,-0.6 -2,-0.3 2,-0.5 -0.994 22.4-158.4-120.5 124.6 -34.7 20.2 24.7 5 5 A T E +A 23 0A 80 18,-2.3 18,-2.2 -2,-0.4 97,-0.1 -0.912 14.6 172.2-115.8 125.5 -32.1 18.9 27.1 6 6 A Q - 0 0 19 -2,-0.5 16,-0.1 16,-0.2 97,-0.1 -0.908 43.7 -90.7-123.5 154.3 -31.7 15.2 28.2 7 7 A P - 0 0 53 0, 0.0 3,-0.1 0, 0.0 99,-0.1 -0.266 37.2-122.4 -56.0 150.5 -28.9 13.5 30.2 8 8 A H S S- 0 0 114 1,-0.2 98,-2.3 97,-0.2 2,-0.3 0.901 87.9 -6.4 -69.5 -40.5 -26.2 12.1 27.8 9 9 A S E -d 106 0B 32 96,-0.3 2,-0.3 138,-0.1 98,-0.2 -0.958 59.0-168.1-150.4 166.4 -26.7 8.6 29.2 10 10 A V E -d 107 0B 30 96,-2.1 98,-1.9 -2,-0.3 2,-0.3 -0.946 10.8-166.5-156.7 141.1 -28.6 6.8 32.0 11 11 A S E +d 108 0B 25 -2,-0.3 2,-0.3 96,-0.2 98,-0.2 -0.985 11.4 164.4-142.7 153.1 -28.1 3.3 33.2 12 12 A E E -d 109 0B 65 96,-1.6 98,-2.0 -2,-0.3 6,-0.1 -0.968 37.7 -96.4-167.5 150.0 -30.2 0.9 35.4 13 13 A S > - 0 0 39 -2,-0.3 3,-1.6 96,-0.2 68,-0.3 -0.460 51.6 -88.2 -76.3 150.3 -30.4 -2.8 36.3 14 14 A P T 3 S+ 0 0 68 0, 0.0 68,-0.2 0, 0.0 -1,-0.1 -0.301 113.5 27.3 -58.1 139.8 -32.9 -5.2 34.6 15 15 A G T 3 S+ 0 0 51 66,-1.8 65,-0.8 1,-0.3 67,-0.1 -0.019 101.7 107.9 94.6 -27.9 -36.3 -5.3 36.3 16 16 A K S < S- 0 0 117 -3,-1.6 65,-1.9 64,-0.2 2,-0.4 -0.095 72.2-107.5 -82.1 176.7 -36.0 -1.8 37.7 17 17 A T - 0 0 87 62,-0.2 2,-0.4 63,-0.2 62,-0.2 -0.869 34.4-174.3-105.9 138.1 -37.7 1.4 36.8 18 18 A V E - B 0 78A 7 60,-2.7 60,-3.1 -2,-0.4 2,-0.4 -0.991 9.3-159.8-133.6 146.3 -35.9 4.1 35.0 19 19 A T E - B 0 77A 65 -2,-0.4 2,-0.4 58,-0.2 58,-0.2 -0.955 2.4-165.3-124.5 143.8 -36.7 7.7 34.0 20 20 A I E - B 0 76A 1 56,-2.0 56,-2.8 -2,-0.4 2,-0.2 -0.996 19.2-152.5-125.6 118.6 -35.2 9.9 31.3 21 21 A S E - B 0 75A 47 -2,-0.4 2,-0.4 54,-0.2 54,-0.2 -0.554 11.7-160.6 -95.4 161.0 -36.0 13.6 31.5 22 22 A a E - B 0 74A 1 52,-2.6 52,-2.2 -2,-0.2 2,-0.4 -0.873 9.4-161.1-144.0 107.8 -36.3 16.3 28.9 23 23 A T E -AB 5 73A 67 -18,-2.2 -18,-2.3 -2,-0.4 2,-0.5 -0.731 12.7-138.6 -93.4 131.6 -36.1 20.0 29.9 24 24 A R E -A 4 0A 5 48,-2.9 -20,-0.2 -2,-0.4 5,-0.1 -0.793 2.5-152.4 -95.6 128.3 -37.4 22.8 27.7 25 25 A S S S- 0 0 62 -22,-2.8 2,-0.3 -2,-0.5 -1,-0.2 0.951 77.4 -2.4 -68.0 -54.0 -35.2 25.9 27.5 26 26 A S S S+ 0 0 64 -23,-0.3 -1,-0.2 2,-0.0 -24,-0.1 -0.920 104.7 47.4-133.4 164.4 -38.0 28.2 26.7 27 27 A G S S- 0 0 42 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 0.029 92.9 -67.3 84.9 158.9 -41.8 27.9 26.0 28 28 A S >> - 0 0 42 1,-0.2 3,-1.1 -2,-0.0 4,-0.6 -0.722 32.9-151.4 -89.8 123.4 -44.2 26.0 28.1 29 29 A I G >4 S+ 0 0 0 -2,-0.5 3,-0.8 1,-0.3 -1,-0.2 0.872 97.9 55.1 -60.7 -36.1 -43.7 22.2 28.0 30 30 A A G 34 S+ 0 0 26 1,-0.2 -1,-0.3 39,-0.1 428,-0.1 0.675 97.8 62.7 -72.4 -19.4 -47.4 21.7 28.7 31 31 A S G <4 S+ 0 0 35 -3,-1.1 427,-3.3 426,-0.1 2,-0.4 0.696 104.2 47.8 -82.3 -17.3 -48.5 23.9 25.7 32 32 A Y B << S-i 458 0C 42 -3,-0.8 427,-0.1 -4,-0.6 -1,-0.1 -0.967 89.7-106.0-129.7 140.6 -47.0 21.6 23.0 33 33 A Y - 0 0 24 425,-0.6 2,-0.4 -2,-0.4 61,-0.2 -0.410 29.6-147.3 -68.8 141.4 -47.1 17.9 22.5 34 34 A V - 0 0 2 59,-0.1 18,-1.8 -2,-0.1 2,-0.3 -0.943 11.3-166.6-109.7 122.0 -44.0 15.8 23.4 35 35 A Q E -E 92 0B 0 57,-2.6 57,-2.0 -2,-0.4 2,-0.4 -0.781 7.5-149.9-103.8 152.2 -43.0 12.6 21.4 36 36 A W E -EF 91 49B 0 13,-2.8 12,-2.3 -2,-0.3 13,-1.7 -0.994 11.3-164.4-122.9 135.8 -40.4 10.0 22.4 37 37 A Y E -EF 90 47B 0 53,-2.8 53,-2.2 -2,-0.4 2,-0.4 -0.947 7.5-150.1-120.2 138.1 -38.4 8.0 19.9 38 38 A Q E -EF 89 46B 13 8,-3.4 8,-2.5 -2,-0.4 2,-0.4 -0.885 13.7-175.9-103.1 140.1 -36.4 4.9 20.4 39 39 A Q E -E 88 0B 18 49,-2.5 49,-2.9 -2,-0.4 5,-0.1 -0.924 9.5-160.1-143.2 109.3 -33.3 4.1 18.2 40 40 A R > - 0 0 94 4,-0.4 3,-2.3 -2,-0.4 47,-0.1 -0.598 47.2 -79.6 -78.1 151.5 -31.3 1.0 18.4 41 41 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.223 117.7 9.8 -62.5 131.0 -27.7 1.1 17.0 42 42 A G T 3 S+ 0 0 94 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.550 112.9 102.5 79.2 8.6 -27.8 0.8 13.2 43 43 A S S < S- 0 0 57 -3,-2.3 -1,-0.3 1,-0.0 3,-0.1 -0.818 75.5-106.5-122.8 160.7 -31.6 1.2 13.0 44 44 A S - 0 0 29 -2,-0.3 -4,-0.4 1,-0.1 287,-0.1 -0.411 51.7 -90.4 -77.4 156.1 -34.1 3.8 12.2 45 45 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.275 36.5-152.1 -66.1 162.4 -35.9 5.4 15.0 46 46 A T E -F 38 0B 69 -8,-2.5 -8,-3.4 282,-0.1 2,-0.3 -1.000 19.9-117.1-131.6 137.1 -39.3 4.0 16.3 47 47 A T E +F 37 0B 6 -2,-0.4 -10,-0.2 280,-0.3 3,-0.1 -0.556 36.2 166.7 -75.4 125.9 -42.0 6.0 18.0 48 48 A V E + 0 0 5 -12,-2.3 2,-0.4 1,-0.4 -11,-0.2 0.639 68.6 17.5-104.7 -31.9 -42.6 4.9 21.6 49 49 A I E -F 36 0B 0 -13,-1.7 -13,-2.8 6,-0.2 -1,-0.4 -0.989 66.3-179.2-138.7 134.0 -44.8 7.7 23.0 50 50 A Y B >> +J 54 0D 58 4,-3.0 4,-2.4 -2,-0.4 3,-0.9 -0.905 64.1 19.9-127.0 166.5 -46.7 10.4 21.1 51 51 A E G >4 S- 0 0 32 -2,-0.3 2,-2.1 1,-0.3 3,-0.6 0.912 128.9 -60.9 36.7 63.4 -48.9 13.4 22.2 52 52 A D G 34 S+ 0 0 12 -18,-1.8 -1,-0.3 1,-0.2 23,-0.2 -0.150 130.7 3.9 71.2 -40.1 -47.3 13.4 25.8 53 53 A S G <4 S+ 0 0 54 -2,-2.1 12,-0.3 -3,-0.9 2,-0.2 0.395 86.1 127.8-159.5 0.1 -48.4 9.9 26.8 54 54 A Q B << -J 50 0D 93 -4,-2.4 -4,-3.0 -3,-0.6 -2,-0.1 -0.514 46.8-148.6 -66.5 131.9 -50.1 8.1 23.9 55 55 A R - 0 0 93 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.913 15.2-129.2-110.8 112.2 -48.5 4.7 23.4 56 56 A P > - 0 0 23 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.110 40.7 -74.5 -58.9 158.7 -48.5 3.5 19.7 57 57 A S T 3 S+ 0 0 136 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.342 119.7 20.3 -55.6 122.2 -49.8 0.1 18.7 58 58 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 3,-0.0 0.211 87.3 122.7 102.4 -13.1 -47.1 -2.6 19.6 59 59 A V < - 0 0 23 -3,-1.9 -1,-0.3 1,-0.1 -4,-0.0 -0.753 69.6-111.0 -83.4 122.1 -45.2 -0.6 22.2 60 60 A P > - 0 0 46 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.114 18.4-121.8 -46.7 144.0 -45.1 -2.5 25.6 61 61 A D T 3 S+ 0 0 135 1,-0.3 -2,-0.0 17,-0.0 18,-0.0 0.558 104.6 84.5 -70.1 -8.8 -47.1 -0.9 28.4 62 62 A R T 3 S+ 0 0 34 16,-0.1 17,-1.8 18,-0.1 2,-0.5 0.704 81.1 77.8 -57.5 -22.3 -43.8 -0.8 30.4 63 63 A F E < +C 78 0A 4 -3,-1.7 2,-0.3 15,-0.2 15,-0.2 -0.814 61.0 162.9 -94.6 125.3 -43.2 2.5 28.4 64 64 A S E -C 77 0A 47 13,-2.3 13,-2.8 -2,-0.5 2,-0.3 -0.996 24.9-145.1-144.8 144.9 -45.0 5.7 29.5 65 65 A G E +C 76 0A 12 -2,-0.3 2,-0.3 -12,-0.3 11,-0.2 -0.714 19.9 173.9-101.0 155.2 -44.7 9.5 29.0 66 66 A S E -C 75 0A 55 9,-1.5 9,-2.1 -2,-0.3 2,-0.3 -0.932 18.5-138.1-152.7 168.3 -45.5 12.2 31.5 67 67 A I E -C 74 0A 53 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.977 5.1-164.0-138.7 141.9 -45.2 16.0 31.7 68 68 A D E >>> -C 73 0A 74 5,-1.3 4,-1.8 -2,-0.3 5,-1.1 -0.656 3.9-174.7-131.9 80.2 -44.1 18.3 34.6 69 69 A S T 345S+ 0 0 71 -2,-0.3 -40,-0.2 1,-0.3 -39,-0.1 0.616 82.9 60.4 -54.9 -14.2 -45.3 21.8 33.7 70 70 A S T 345S+ 0 0 109 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.967 112.8 29.9 -75.4 -62.3 -43.4 23.0 36.8 71 71 A S T <45S- 0 0 57 -3,-0.6 -2,-0.2 2,-0.2 -47,-0.1 0.539 109.5-124.6 -77.3 -5.2 -39.8 21.9 35.9 72 72 A N T <5 + 0 0 34 -4,-1.8 -48,-2.9 1,-0.2 2,-0.4 0.912 68.0 128.1 64.1 47.9 -40.9 22.5 32.3 73 73 A S E < -BC 23 68A 9 -5,-1.1 -5,-1.3 -50,-0.2 -50,-0.3 -0.995 52.5-146.3-148.5 127.3 -39.9 18.9 31.4 74 74 A A E -BC 22 67A 0 -52,-2.2 -52,-2.6 -2,-0.4 2,-0.3 -0.506 23.5-157.2 -85.6 160.2 -41.3 15.8 29.8 75 75 A S E -BC 21 66A 14 -9,-2.1 -9,-1.5 -54,-0.2 2,-0.6 -0.998 15.1-152.4-148.4 138.7 -40.2 12.4 31.0 76 76 A L E -BC 20 65A 0 -56,-2.8 -56,-2.0 -2,-0.3 2,-0.4 -0.962 19.4-167.5-115.7 123.6 -40.1 8.9 29.6 77 77 A T E -BC 19 64A 31 -13,-2.8 -13,-2.3 -2,-0.6 2,-0.5 -0.905 6.9-171.8-115.9 134.7 -40.4 6.1 32.2 78 78 A I E -BC 18 63A 1 -60,-3.1 -60,-2.7 -2,-0.4 3,-0.3 -0.988 6.8-166.2-127.8 125.7 -39.7 2.5 31.6 79 79 A S + 0 0 47 -17,-1.8 -62,-0.2 -2,-0.5 -63,-0.2 -0.698 68.0 22.3-110.1 162.8 -40.5 -0.1 34.2 80 80 A G S S- 0 0 29 -65,-0.8 -1,-0.2 -2,-0.2 -64,-0.2 0.947 90.1-143.2 45.6 58.7 -39.3 -3.8 34.4 81 81 A L - 0 0 3 -65,-1.9 -66,-1.8 -68,-0.3 2,-0.3 -0.181 20.3-169.3 -58.7 138.4 -36.3 -3.0 32.2 82 82 A K > - 0 0 101 -68,-0.2 3,-2.3 -3,-0.1 4,-0.3 -0.882 35.8-110.7-124.7 158.6 -35.3 -5.6 29.8 83 83 A T G > S+ 0 0 100 -2,-0.3 3,-1.8 1,-0.3 26,-0.2 0.822 114.3 66.6 -64.8 -29.3 -32.1 -5.7 27.7 84 84 A E G 3 S+ 0 0 89 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.676 89.9 67.4 -51.1 -24.5 -34.1 -5.1 24.5 85 85 A D G < S+ 0 0 2 -3,-2.3 -1,-0.3 2,-0.0 2,-0.2 0.617 70.3 115.7 -80.7 -12.5 -34.9 -1.6 25.9 86 86 A E < + 0 0 43 -3,-1.8 2,-0.3 -4,-0.3 22,-0.2 -0.440 47.6 105.2 -57.5 118.0 -31.2 -0.6 25.6 87 87 A A E S- G 0 107B 6 20,-0.8 20,-2.8 -2,-0.2 2,-0.4 -0.962 75.1 -78.3-175.4 174.4 -31.3 2.2 22.9 88 88 A D E -EG 39 106B 52 -49,-2.9 -49,-2.5 -2,-0.3 2,-0.4 -0.784 43.0-157.5 -88.5 140.2 -31.0 5.9 22.4 89 89 A Y E -EG 38 105B 0 16,-2.0 16,-1.7 -2,-0.4 2,-0.4 -0.981 7.7-169.9-123.7 136.1 -34.1 7.8 23.3 90 90 A Y E -E 37 0B 18 -53,-2.2 -53,-2.8 -2,-0.4 2,-0.3 -0.966 10.3-149.7-125.1 136.3 -35.0 11.2 21.9 91 91 A a E -E 36 0B 0 -2,-0.4 11,-3.2 -55,-0.2 2,-0.3 -0.702 19.3-170.9 -96.9 156.7 -37.7 13.6 23.0 92 92 A Q E +EH 35 101B 0 -57,-2.0 -57,-2.6 -2,-0.3 9,-0.2 -0.995 15.4 144.7-150.6 144.0 -39.2 15.9 20.4 93 93 A S E - 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