==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 10-JUN-00 1F4W . COMPND 2 MOLECULE: ANTIBODY S-20-4, FAB FRAGMENT, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.M.ALZARI,H.SOUCHON . 426 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 179 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 0.9 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 . 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 . 47 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.1 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 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 4 7 2 5 8 1 0 0 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 . 1 0 4 2 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 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 Q 0 0 156 0, 0.0 24,-0.0 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0-170.4 4.2 -10.1 25.6 2 2 L A - 0 0 12 23,-0.1 2,-0.5 1,-0.1 90,-0.0 -0.102 360.0-145.1 -60.1 149.4 6.1 -12.1 23.0 3 3 L V - 0 0 90 96,-0.1 22,-2.2 2,-0.0 2,-0.5 -0.973 16.5-157.0-115.6 119.1 8.3 -10.7 20.4 4 4 L V E -A 24 0A 10 -2,-0.5 98,-0.5 96,-0.4 2,-0.4 -0.945 10.5-168.1-100.3 126.6 8.0 -12.7 17.1 5 5 L T E +A 23 0A 82 18,-3.2 18,-2.5 -2,-0.5 2,-0.3 -0.885 10.1 175.0-124.6 149.6 10.9 -12.5 14.7 6 6 L Q E -A 22 0A 22 -2,-0.4 16,-0.2 16,-0.2 96,-0.1 -0.900 45.6 -80.4-138.5 162.2 11.3 -13.6 11.1 7 7 L E - 0 0 52 14,-0.5 3,-0.1 -2,-0.3 98,-0.1 -0.415 38.8-139.6 -65.7 148.0 14.1 -13.3 8.5 8 8 L S S S- 0 0 93 1,-0.2 97,-2.2 96,-0.2 2,-0.3 0.807 74.5 -2.5 -73.4 -39.8 13.9 -9.9 6.9 9 9 L A E -d 105 0B 41 95,-0.2 2,-0.3 97,-0.1 97,-0.2 -0.988 59.9-176.0-158.5 148.2 14.5 -10.8 3.4 10 10 L L E -d 106 0B 48 95,-2.3 97,-2.9 -2,-0.3 2,-0.4 -0.954 10.7-150.9-149.1 149.9 15.4 -13.9 1.4 11 11 L T E +d 107 0B 64 -2,-0.3 2,-0.3 95,-0.2 97,-0.2 -0.994 19.9 164.5-126.1 136.1 16.2 -14.6 -2.2 12 12 L T E -d 108 0B 9 95,-2.9 97,-2.0 -2,-0.4 6,-0.1 -0.970 31.1-120.8-142.4 173.4 15.6 -17.7 -4.2 13 13 L S > - 0 0 40 -2,-0.3 3,-1.0 95,-0.2 67,-0.2 -0.626 44.0 -93.6-108.4 152.6 15.4 -19.0 -7.7 14 14 L P T 3 S+ 0 0 60 0, 0.0 67,-0.2 0, 0.0 3,-0.1 -0.561 112.6 29.7 -70.6 137.8 12.3 -20.5 -9.3 15 15 L G T 3 S+ 0 0 52 65,-2.7 66,-0.1 1,-0.4 64,-0.1 0.070 102.5 111.9 97.1 -15.2 12.2 -24.4 -9.0 16 16 L E < - 0 0 103 -3,-1.0 64,-3.5 64,-0.3 63,-1.1 -0.318 67.3-119.9 -86.5 173.6 14.2 -24.1 -5.8 17 17 L T E + B 0 78A 81 61,-0.3 2,-0.3 62,-0.2 61,-0.2 -0.951 30.6 175.9-117.6 131.2 13.2 -24.8 -2.2 18 18 L V E - B 0 77A 18 59,-1.4 59,-2.6 -2,-0.4 2,-0.4 -0.944 15.5-151.5-133.1 155.2 13.4 -22.2 0.5 19 19 L T E - B 0 76A 53 -2,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.983 4.2-160.3-132.0 137.8 12.4 -22.2 4.2 20 20 L L E - B 0 75A 0 55,-2.6 55,-2.5 -2,-0.4 2,-0.3 -0.894 15.0-151.0-114.9 140.7 11.2 -19.2 6.3 21 21 L T E - B 0 74A 21 -2,-0.4 -14,-0.5 53,-0.2 2,-0.3 -0.772 10.0-160.8-118.7 159.7 11.4 -19.3 10.0 22 22 L a E -AB 6 73A 0 51,-2.1 51,-2.4 -2,-0.3 2,-0.3 -0.846 13.0-173.0-141.3 116.7 9.5 -17.7 12.8 23 23 L R E -A 5 0A 29 -18,-2.5 -18,-3.2 -2,-0.3 2,-0.3 -0.776 14.6-142.3-117.6 148.3 10.8 -17.4 16.4 24 24 L S E > -A 4 0A 12 47,-0.3 3,-1.2 -2,-0.3 -20,-0.2 -0.800 14.1-140.5-104.3 147.1 9.3 -16.3 19.6 25 25 L S T 3 S+ 0 0 77 -22,-2.2 -1,-0.1 -2,-0.3 -21,-0.1 0.868 98.0 75.5 -73.6 -24.8 11.2 -14.3 22.3 26 26 L T T 3 S- 0 0 93 -23,-0.2 -1,-0.3 1,-0.1 2,-0.2 0.617 115.3 -99.4 -60.1 -18.2 9.3 -16.5 24.8 27 27 L G S < S+ 0 0 54 -3,-1.2 2,-0.4 44,-0.1 -1,-0.1 -0.477 83.0 15.3 136.3 -73.1 11.5 -19.5 24.1 28 28 L T - 0 0 83 -2,-0.2 2,-0.2 -5,-0.1 44,-0.2 -0.947 61.7-128.3-146.4 130.1 10.2 -22.2 21.8 29 29 L V + 0 0 5 42,-3.8 2,-0.2 -2,-0.4 42,-0.1 -0.534 37.6 174.4 -73.9 142.1 7.4 -22.3 19.4 30 30 L T > - 0 0 67 -2,-0.2 3,-1.7 38,-0.0 5,-0.4 -0.766 48.6 -86.2-132.0-176.4 5.2 -25.3 20.0 31 31 L T G > S+ 0 0 97 1,-0.3 3,-1.2 -2,-0.2 -2,-0.1 0.744 119.2 67.1 -64.6 -26.0 2.0 -26.8 18.7 32 32 L S G 3 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.474 87.9 67.1 -80.3 4.1 -0.1 -24.7 21.1 33 33 L N G < S- 0 0 16 -3,-1.7 60,-2.6 61,-0.1 -1,-0.2 0.387 91.5-148.5 -94.0 -8.5 1.0 -21.5 19.3 34 34 L Y < - 0 0 101 -3,-1.2 18,-0.9 -4,-0.2 -3,-0.1 0.807 19.9-141.5 38.8 48.0 -1.0 -22.6 16.2 35 35 L A - 0 0 0 -5,-0.4 18,-2.0 17,-0.2 2,-0.3 0.020 20.1-166.2 -41.7 129.2 1.4 -20.9 13.9 36 36 L N E -E 91 0B 0 55,-2.4 55,-1.7 -3,-0.2 2,-0.4 -0.836 9.3-153.5-115.0 159.5 -0.2 -19.3 10.9 37 37 L W E -EF 90 50B 0 13,-2.2 12,-3.0 -2,-0.3 13,-1.6 -0.994 12.7-170.8-132.1 122.3 1.5 -18.0 7.8 38 38 L V E -EF 89 48B 0 51,-2.8 51,-3.0 -2,-0.4 2,-0.4 -0.945 11.7-142.9-116.0 139.5 -0.2 -15.1 5.8 39 39 L Q E -EF 88 47B 10 8,-3.0 8,-1.8 -2,-0.4 2,-0.6 -0.806 6.3-159.1-102.1 140.3 0.9 -13.9 2.4 40 40 L E E -EF 87 46B 18 47,-3.1 47,-2.4 -2,-0.4 6,-0.2 -0.967 13.2-175.0-121.1 115.4 0.8 -10.2 1.3 41 41 L K E > - F 0 45B 69 4,-2.5 4,-2.3 -2,-0.6 45,-0.1 -0.711 43.2 -63.2-107.7 154.1 0.8 -9.6 -2.4 42 42 L P T 4 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 44,-0.0 -0.171 120.1 35.0 -48.7 128.2 1.0 -6.2 -4.2 43 43 L D T 4 S- 0 0 146 -3,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.700 129.1 -72.7 91.6 47.3 -1.9 -4.0 -3.4 44 44 L H T 4 S+ 0 0 75 1,-0.2 2,-0.7 -4,-0.0 -1,-0.0 0.891 82.0 159.6 45.5 42.2 -2.5 -5.0 0.2 45 45 L L E < -F 41 0B 108 -4,-2.3 -4,-2.5 2,-0.0 2,-0.4 -0.882 20.8-164.5-100.9 107.9 -3.9 -8.3 -0.8 46 46 L F E +F 40 0B 13 -2,-0.7 272,-0.5 273,-0.3 2,-0.4 -0.829 12.9 177.4-101.5 138.5 -3.8 -10.9 2.0 47 47 L T E -FG 39 317B 55 -8,-1.8 -8,-3.0 -2,-0.4 2,-0.3 -0.986 27.4-131.4-139.7 123.9 -4.3 -14.6 1.8 48 48 L G E +F 38 0B 1 268,-1.9 -10,-0.2 -2,-0.4 3,-0.1 -0.541 28.3 174.9 -76.6 122.0 -4.0 -17.1 4.8 49 49 L L E + 0 0 4 -12,-3.0 8,-2.1 1,-0.4 2,-0.3 0.831 60.8 11.8 -96.5 -51.4 -1.7 -20.0 3.6 50 50 L I E -FH 37 56B 0 -13,-1.6 -13,-2.2 6,-0.2 -1,-0.4 -0.997 60.2-178.7-131.7 139.8 -1.2 -22.2 6.7 51 51 L G E > + H 0 55B 0 4,-2.4 4,-2.5 -2,-0.3 3,-0.4 -0.756 66.5 26.5-131.1 166.5 -2.9 -22.4 10.1 52 52 L A T 4 S- 0 0 18 261,-0.9 2,-2.9 -18,-0.9 -17,-0.2 0.924 124.1 -72.4 48.2 46.9 -2.4 -24.5 13.2 53 53 L T T 4 S+ 0 0 2 -18,-2.0 -1,-0.3 1,-0.2 21,-0.2 -0.110 126.5 19.0 70.3 -51.4 1.2 -25.0 12.2 54 54 L N T 4 S+ 0 0 95 -2,-2.9 2,-0.8 -3,-0.4 12,-0.3 0.351 86.6 112.2-140.5 19.2 0.8 -27.4 9.3 55 55 L N E < -H 51 0B 84 -4,-2.5 -4,-2.4 -3,-0.1 2,-0.2 -0.766 53.6-149.9 -98.6 111.9 -2.8 -27.2 7.9 56 56 L R E -H 50 0B 103 -2,-0.8 -6,-0.2 -6,-0.2 2,-0.1 -0.475 16.9-121.1 -76.8 140.2 -2.9 -25.6 4.5 57 57 L A > - 0 0 16 -8,-2.1 3,-1.0 -2,-0.2 -1,-0.1 -0.465 41.4 -81.3 -70.6 172.0 -6.0 -23.7 3.6 58 58 L A T 3 S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.286 114.3 21.4 -74.3 143.9 -8.1 -24.7 0.5 59 59 L G T 3 S+ 0 0 80 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.124 86.8 126.3 87.1 -26.7 -6.8 -23.4 -2.8 60 60 L V S < S- 0 0 19 -3,-1.0 -1,-0.3 -11,-0.1 -4,-0.0 -0.542 70.5-107.6 -68.2 126.1 -3.2 -22.9 -1.6 61 61 L P > - 0 0 55 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.123 24.8-115.1 -50.9 150.3 -0.8 -24.8 -4.0 62 62 L V T 3 S+ 0 0 120 1,-0.3 16,-0.1 -3,-0.1 -2,-0.1 0.672 104.2 80.3 -68.2 -20.2 0.7 -27.9 -2.5 63 63 L R T 3 S+ 0 0 54 14,-0.1 15,-2.2 16,-0.1 2,-0.5 0.705 79.4 81.3 -65.9 -10.3 4.3 -26.4 -2.6 64 64 L F E < +C 77 0A 3 -3,-1.7 2,-0.3 13,-0.2 13,-0.2 -0.787 59.0 159.6 -92.4 134.0 3.5 -24.5 0.6 65 65 L S E -C 76 0A 42 11,-2.2 11,-2.7 -2,-0.5 2,-0.3 -0.979 24.9-143.2-147.2 163.0 3.9 -26.5 3.8 66 66 L G E +C 75 0A 11 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.866 24.3 150.7-127.5 162.4 4.4 -25.8 7.5 67 67 L S E -C 74 0A 42 7,-1.7 7,-2.8 -2,-0.3 2,-0.4 -0.891 43.3-103.2-170.3 171.8 6.3 -27.4 10.3 68 68 L L E -C 73 0A 65 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.961 38.0-176.9-111.1 128.7 8.1 -26.8 13.6 69 69 L I E > -C 72 0A 81 3,-3.2 3,-1.6 -2,-0.4 -40,-0.1 -0.957 62.2 -22.6-136.3 121.2 11.9 -26.8 13.3 70 70 L G T 3 S- 0 0 79 -2,-0.4 -41,-0.1 1,-0.3 3,-0.1 0.901 128.1 -45.4 52.1 45.1 14.4 -26.4 16.1 71 71 L G T 3 S+ 0 0 27 1,-0.2 -42,-3.8 -42,-0.1 -47,-0.3 0.498 123.8 98.5 78.5 3.6 11.9 -24.7 18.4 72 72 L K E < S- C 0 69A 77 -3,-1.6 -3,-3.2 -44,-0.2 2,-0.2 -0.890 74.5-117.0-121.6 154.7 10.7 -22.4 15.6 73 73 L A E -BC 22 68A 1 -51,-2.4 -51,-2.1 -2,-0.3 2,-0.4 -0.599 38.4-163.9 -90.4 151.3 7.7 -22.4 13.2 74 74 L A E -BC 21 67A 0 -7,-2.8 -7,-1.7 -2,-0.2 2,-0.4 -0.989 21.8-155.4-138.6 145.7 8.7 -22.8 9.6 75 75 L L E -BC 20 66A 0 -55,-2.5 -55,-2.6 -2,-0.4 2,-0.4 -0.979 15.5-164.8-111.8 127.8 7.2 -22.3 6.1 76 76 L T E -BC 19 65A 19 -11,-2.7 -11,-2.2 -2,-0.4 2,-0.6 -0.921 8.8-165.6-116.3 132.6 8.7 -24.3 3.2 77 77 L I E > -BC 18 64A 0 -59,-2.6 -59,-1.4 -2,-0.4 2,-0.8 -0.896 12.1-160.7-114.9 102.5 8.0 -23.5 -0.4 78 78 L T E 3 S+B 17 0A 81 -15,-2.2 -61,-0.3 -2,-0.6 -62,-0.1 -0.722 79.7 7.5 -81.9 106.7 9.2 -26.6 -2.3 79 79 L G T 3 S- 0 0 17 -63,-1.1 -1,-0.3 -2,-0.8 -62,-0.2 0.915 90.6-145.4 87.5 49.6 9.7 -25.4 -6.0 80 80 L A < - 0 0 0 -64,-3.5 -65,-2.7 -3,-0.6 -64,-0.3 -0.198 15.3-152.6 -52.5 140.6 9.3 -21.6 -5.4 81 81 L Q > - 0 0 77 -67,-0.2 3,-1.9 -66,-0.1 4,-0.2 -0.738 26.7-103.6-117.4 167.5 7.6 -20.0 -8.4 82 82 L T G > S+ 0 0 74 1,-0.3 3,-1.2 -2,-0.3 26,-0.2 0.846 118.8 57.5 -58.5 -37.5 7.7 -16.4 -9.7 83 83 L E G 3 S+ 0 0 100 1,-0.2 -1,-0.3 27,-0.0 -3,-0.0 0.418 90.1 77.7 -79.7 4.8 4.3 -15.4 -8.4 84 84 L D G < + 0 0 2 -3,-1.9 2,-0.4 24,-0.1 -1,-0.2 0.549 59.7 113.6 -91.2 -2.5 5.7 -16.4 -4.9 85 85 L E < + 0 0 25 -3,-1.2 2,-0.3 -4,-0.2 22,-0.2 -0.526 53.4 103.4 -67.6 104.8 7.6 -13.1 -4.6 86 86 L A E S- I 0 106B 8 20,-1.0 20,-2.7 -2,-0.4 2,-0.4 -0.923 76.7 -76.8-168.6-173.4 5.7 -11.5 -1.8 87 87 L I E -EI 40 105B 44 -47,-2.4 -47,-3.1 -2,-0.3 2,-0.5 -0.910 38.2-159.0-112.1 135.2 5.7 -10.8 2.0 88 88 L Y E -EI 39 104B 0 16,-2.0 16,-1.9 -2,-0.4 2,-0.4 -0.975 6.6-163.5-118.6 119.5 5.1 -13.7 4.4 89 89 L F E -E 38 0B 3 -51,-3.0 -51,-2.8 -2,-0.5 2,-0.3 -0.898 6.3-148.2-108.6 148.6 4.0 -12.9 7.8 90 90 L a E -E 37 0B 0 -2,-0.4 11,-2.6 -53,-0.2 2,-0.4 -0.717 10.8-168.3-107.1 149.2 4.0 -15.2 10.8 91 91 L A E -EJ 36 100B 0 -55,-1.7 -55,-2.4 -2,-0.3 2,-0.5 -1.000 3.3-161.6-145.4 129.8 1.5 -15.2 13.6 92 92 L L E - 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