==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/CELL ADHESION 26-SEP-08 3EOB . COMPND 2 MOLECULE: EFALIZUMAB FAB FRAGMENT, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LI,J.DING . 1216 8 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 839 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 344 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 156 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 9 1 0 3 1 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 2 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 PARALLEL BRIDGES PER LADDER . 6 13 6 7 8 10 8 0 4 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 2 8 2 3 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 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 0 150 0, 0.0 96,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 127.9 -2.9 7.4 -17.4 2 2 L I - 0 0 8 24,-0.1 2,-0.5 94,-0.1 88,-0.1 -0.189 360.0-158.0 173.2 103.8 0.4 9.0 -18.4 3 3 L Q - 0 0 127 94,-0.0 23,-0.5 -2,-0.0 2,-0.5 -0.745 6.1-162.2 -95.7 123.8 3.8 8.2 -16.9 4 4 L M E -A 25 0A 10 94,-0.6 2,-0.5 -2,-0.5 21,-0.2 -0.929 6.5-163.0-104.1 123.1 6.5 10.8 -17.2 5 5 L T E -A 24 0A 66 19,-3.0 19,-2.8 -2,-0.5 2,-0.3 -0.928 3.2-161.6-112.0 131.3 10.0 9.4 -16.6 6 6 L Q E -A 23 0A 3 -2,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.824 15.8-118.1-110.4 151.8 12.8 11.8 -15.9 7 7 L S E S+A 22 0A 51 15,-2.3 15,-2.2 -2,-0.3 2,-0.1 -0.984 80.5 15.4-148.2 132.5 16.6 11.2 -16.2 8 8 L P - 0 0 56 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.619 65.1-142.2 -90.7 172.6 18.7 11.2 -14.2 9 9 L S S S- 0 0 74 1,-0.2 94,-1.0 93,-0.1 2,-0.2 0.394 86.0 -12.7 -72.4 8.7 17.2 11.1 -10.7 10 10 L S E -e 103 0B 65 92,-0.3 2,-0.3 2,-0.0 94,-0.2 -0.801 66.1-177.9 165.1 153.4 20.0 13.5 -9.7 11 11 L L E -e 104 0B 38 92,-2.7 94,-3.6 -2,-0.2 2,-0.4 -0.986 19.6-135.7-166.9 158.2 23.3 15.0 -10.9 12 12 L S E +e 105 0B 44 -2,-0.3 2,-0.4 92,-0.2 94,-0.2 -0.982 25.3 175.7-122.1 133.0 26.2 17.3 -10.0 13 13 L A E -e 106 0B 13 92,-2.3 94,-0.9 -2,-0.4 3,-0.1 -0.999 32.2-110.5-141.9 139.0 27.7 19.8 -12.4 14 14 L S E > -e 107 0B 57 -2,-0.4 3,-2.4 92,-0.2 64,-0.2 -0.318 51.2 -86.7 -66.0 144.2 30.3 22.4 -12.1 15 15 L V T 3 S+ 0 0 68 92,-0.8 64,-0.2 1,-0.3 -1,-0.1 -0.270 118.0 24.9 -49.7 125.1 29.2 26.0 -12.3 16 16 L G T 3 S+ 0 0 38 62,-0.5 -1,-0.3 1,-0.3 61,-0.2 0.135 90.7 128.3 106.2 -22.3 29.1 27.0 -16.0 17 17 L D < - 0 0 78 -3,-2.4 61,-2.3 60,-0.2 2,-0.8 -0.221 66.1-110.4 -66.8 154.7 28.6 23.5 -17.4 18 18 L R E - B 0 76A 191 58,-0.2 58,-0.2 59,-0.2 2,-0.2 -0.796 37.8-164.0 -92.4 109.6 25.8 22.8 -19.9 19 19 L V E - B 0 75A 9 56,-3.0 56,-1.1 -2,-0.8 2,-0.3 -0.591 8.2-171.2 -91.9 153.9 23.2 20.5 -18.1 20 20 L T E - B 0 74A 76 54,-0.2 2,-0.4 -2,-0.2 54,-0.2 -0.932 3.2-172.6-149.0 122.2 20.5 18.5 -19.9 21 21 L I E - B 0 73A 0 52,-2.4 52,-2.0 -2,-0.3 2,-0.4 -0.900 13.0-150.7-112.2 141.2 17.7 16.7 -18.2 22 22 L T E -AB 7 72A 52 -15,-2.2 -15,-2.3 -2,-0.4 2,-0.5 -0.935 10.6-171.7-118.2 138.5 15.4 14.5 -20.3 23 23 L a E -AB 6 71A 0 48,-2.3 48,-1.8 -2,-0.4 2,-0.4 -0.972 10.2-165.8-127.9 112.8 11.8 13.7 -19.5 24 24 L R E -AB 5 70A 125 -19,-2.8 -19,-3.0 -2,-0.5 46,-0.2 -0.812 12.3-134.7-103.2 143.1 10.2 11.1 -21.6 25 25 L A E -A 4 0A 6 44,-2.8 -21,-0.2 -2,-0.4 3,-0.1 -0.556 13.1-126.5 -96.7 160.9 6.5 10.5 -21.8 26 26 L S S S+ 0 0 50 -23,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.987 97.8 2.1 -63.5 -64.2 4.3 7.5 -21.7 27 27 L K S S- 0 0 146 1,-0.2 -1,-0.3 41,-0.1 41,-0.1 -0.945 106.1 -74.7-123.7 145.3 2.4 8.1 -24.9 28 28 L T - 0 0 85 -2,-0.3 41,-0.2 -3,-0.1 -1,-0.2 0.156 40.2-172.8 -35.1 156.6 3.1 11.2 -27.2 29 29 L I > - 0 0 1 39,-1.9 3,-2.1 1,-0.5 62,-0.2 -0.139 33.1-123.5-150.7 41.1 1.9 14.6 -25.9 30 30 L S T 3 - 0 0 63 1,-0.3 38,-1.5 37,-0.1 -1,-0.5 -0.107 68.2 -42.7 46.4-145.2 2.6 16.9 -28.8 31 31 L K T 3 S+ 0 0 92 36,-0.2 2,-1.1 -3,-0.1 -1,-0.3 0.158 104.1 120.5 -99.2 15.8 4.7 19.8 -27.7 32 32 L Y < + 0 0 48 -3,-2.1 59,-1.1 18,-0.2 2,-0.3 -0.679 31.3 120.0 -89.1 94.9 2.9 20.2 -24.5 33 33 L L E -F 90 0B 0 -2,-1.1 18,-2.1 57,-0.2 2,-0.3 -0.962 40.3-156.6-151.6 135.3 5.3 19.8 -21.6 34 34 L A E -F 89 0B 0 55,-3.4 55,-2.6 -2,-0.3 2,-0.4 -0.845 5.5-144.6-115.6 152.9 6.2 22.3 -18.9 35 35 L W E -FG 88 48B 0 13,-2.7 12,-1.7 -2,-0.3 13,-1.2 -0.962 13.6-170.1-122.8 129.7 9.3 22.6 -16.6 36 36 L Y E -FG 87 46B 0 51,-2.9 51,-2.1 -2,-0.4 2,-0.6 -0.869 14.8-146.5-119.1 150.5 9.4 23.7 -13.0 37 37 L Q E -F 86 0B 18 8,-2.0 2,-1.0 -2,-0.3 8,-0.4 -0.878 12.8-165.8-116.6 100.4 12.2 24.6 -10.6 38 38 L Q E -F 85 0B 15 47,-2.3 47,-1.7 -2,-0.6 3,-0.1 -0.699 5.3-158.9 -93.4 98.0 11.6 23.7 -6.9 39 39 L K > - 0 0 50 -2,-1.0 3,-2.5 4,-0.3 45,-0.2 -0.400 46.7 -78.7 -64.9 146.6 14.1 25.4 -4.5 40 40 L P T 3 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.153 115.5 2.9 -50.3 138.2 14.3 23.6 -1.2 41 41 L G T 3 S+ 0 0 81 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.410 114.5 97.2 67.5 -1.8 11.3 24.5 1.0 42 42 L K S < S- 0 0 130 -3,-2.5 -1,-0.2 1,-0.0 3,-0.1 -0.632 79.6 -91.4-114.1 173.6 9.7 26.7 -1.6 43 43 L A - 0 0 24 -2,-0.2 -4,-0.3 1,-0.1 283,-0.1 -0.600 51.0 -91.2 -85.4 143.8 7.0 26.3 -4.2 44 44 L P - 0 0 3 0, 0.0 2,-0.5 0, 0.0 282,-0.3 -0.133 38.2-144.3 -49.9 144.2 7.8 25.2 -7.8 45 45 L K - 0 0 129 -8,-0.4 -8,-2.0 280,-0.1 280,-0.1 -0.963 16.9-120.2-116.2 126.8 8.4 28.0 -10.2 46 46 L L E +G 36 0B 6 -2,-0.5 -10,-0.2 278,-0.4 3,-0.1 -0.336 41.1 160.7 -61.9 148.8 7.2 27.7 -13.8 47 47 L L E + 0 0 4 -12,-1.7 8,-2.6 1,-0.3 2,-0.4 0.494 59.6 19.4-128.9 -66.2 10.1 27.9 -16.3 48 48 L I E -GH 35 54B 0 -13,-1.2 -13,-2.7 6,-0.2 2,-0.3 -0.950 60.4-177.6-120.6 131.6 9.1 26.4 -19.6 49 49 L Y E > + H 0 53B 10 4,-1.7 4,-1.0 -2,-0.4 3,-0.4 -0.909 64.5 21.4-126.8 155.0 5.6 25.7 -21.1 50 50 L S T >4 S- 0 0 8 -2,-0.3 2,-2.3 1,-0.2 3,-0.6 0.958 124.1 -67.3 55.5 53.2 4.4 24.1 -24.3 51 51 L G T 34 S+ 0 0 3 -18,-2.1 14,-0.6 1,-0.2 -1,-0.2 -0.275 124.2 11.2 71.0 -56.7 7.7 22.3 -24.9 52 52 L S T 34 S+ 0 0 67 -2,-2.3 12,-0.7 -3,-0.4 -1,-0.2 0.592 86.8 116.3-132.5 -15.0 10.2 25.1 -25.5 53 53 L T E << -H 49 0B 54 -4,-1.0 -4,-1.7 -3,-0.6 2,-0.3 -0.372 57.7-130.6 -66.2 131.7 8.7 28.5 -24.8 54 54 L L E -H 48 0B 68 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.1 -0.608 17.4-125.5 -82.7 137.3 10.3 30.6 -22.0 55 55 L Q > - 0 0 36 -8,-2.6 3,-1.6 -2,-0.3 2,-0.8 -0.462 41.0 -92.4 -73.8 153.4 8.1 32.1 -19.3 56 56 L S T 3 S+ 0 0 113 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.584 116.4 29.0 -72.1 110.3 8.5 35.9 -18.9 57 57 L G T 3 S+ 0 0 73 -2,-0.8 -1,-0.2 1,-0.4 3,-0.0 0.060 86.1 119.8 129.6 -22.9 11.2 36.2 -16.1 58 58 L V S < S- 0 0 17 -3,-1.6 -1,-0.4 -11,-0.2 -11,-0.1 -0.622 71.4-113.4 -76.6 125.0 13.1 33.0 -16.7 59 59 L P > - 0 0 52 0, 0.0 3,-1.7 0, 0.0 -4,-0.1 -0.181 25.3-114.9 -54.8 148.9 16.7 33.7 -17.6 60 60 L S T 3 S+ 0 0 103 1,-0.3 16,-0.1 -6,-0.1 -2,-0.1 0.820 104.6 83.2 -58.5 -30.4 17.6 32.8 -21.1 61 61 L R T 3 S+ 0 0 57 14,-0.1 15,-2.7 16,-0.1 2,-0.5 0.624 78.0 81.9 -50.6 -14.0 20.0 30.1 -19.9 62 62 L F E < +C 75 0A 4 -3,-1.7 2,-0.4 13,-0.2 13,-0.2 -0.824 63.0 174.3 -95.1 132.3 17.0 27.8 -19.5 63 63 L S E -C 74 0A 59 11,-1.0 11,-3.4 -2,-0.5 2,-0.3 -0.995 15.3-164.0-141.0 143.0 15.9 26.1 -22.7 64 64 L G + 0 0 4 -12,-0.7 2,-0.3 -2,-0.4 -12,-0.2 -0.735 17.9 151.1-117.6 171.3 13.4 23.6 -23.7 65 65 L S + 0 0 58 -14,-0.6 7,-2.0 -2,-0.3 2,-0.1 -0.906 19.7 85.5 175.3 163.0 12.9 21.5 -26.9 66 66 L G E -D 71 0A 39 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.296 41.5-141.4 114.5 161.8 11.6 18.2 -28.1 67 67 L S E > +D 70 0A 86 3,-0.8 2,-1.4 -2,-0.1 3,-0.8 -0.987 60.8 15.5-162.0 151.4 8.3 16.7 -29.2 68 68 L G T 3 S- 0 0 12 -38,-1.5 -39,-1.9 -2,-0.3 3,-0.1 -0.660 128.4 -18.8 90.7 -83.7 6.1 13.7 -29.1 69 69 L T T 3 S+ 0 0 46 -2,-1.4 -44,-2.8 -41,-0.2 2,-0.6 0.568 121.6 67.4-134.1 -20.5 7.6 11.7 -26.4 70 70 L D E < +BD 24 67A 80 -3,-0.8 -3,-0.8 -46,-0.2 2,-0.3 -0.927 55.1 164.6-116.4 116.2 11.2 12.9 -25.7 71 71 L F E -BD 23 66A 0 -48,-1.8 -48,-2.3 -2,-0.6 2,-0.3 -0.842 15.6-157.8-123.3 162.2 11.8 16.3 -24.3 72 72 L T E -B 22 0A 35 -7,-2.0 2,-0.5 -2,-0.3 -7,-0.2 -0.964 13.2-147.6-151.2 128.6 14.8 18.0 -22.7 73 73 L L E -B 21 0A 1 -52,-2.0 -52,-2.4 -2,-0.3 2,-0.6 -0.790 22.5-161.4 -90.1 126.2 15.5 20.9 -20.3 74 74 L T E -BC 20 63A 27 -11,-3.4 -11,-1.0 -2,-0.5 2,-1.0 -0.881 11.9-170.5-119.6 106.0 18.8 22.5 -21.2 75 75 L I E -BC 19 62A 0 -56,-1.1 -56,-3.0 -2,-0.6 2,-0.8 -0.807 13.5-164.6 -92.5 105.1 20.5 24.7 -18.6 76 76 L S E S+B 18 0A 46 -15,-2.7 -58,-0.2 -2,-1.0 -59,-0.1 -0.836 72.3 10.0 -96.8 110.4 23.3 26.2 -20.5 77 77 L S S S- 0 0 69 -2,-0.8 -1,-0.3 -60,-0.7 -60,-0.2 0.920 89.0-140.9 86.0 59.8 25.9 27.8 -18.2 78 78 L L - 0 0 0 -61,-2.3 -62,-0.5 -3,-0.4 5,-0.0 0.092 17.6-153.3 -41.7 160.0 24.7 26.5 -14.8 79 79 L Q - 0 0 66 -64,-0.2 -1,-0.1 -63,-0.1 -2,-0.0 -0.810 28.6-110.3-135.0 175.0 24.9 28.9 -11.9 80 80 L P S S+ 0 0 26 0, 0.0 3,-0.3 0, 0.0 91,-0.2 0.710 119.9 53.6 -80.3 -19.9 25.3 28.6 -8.1 81 81 L E S S+ 0 0 78 1,-0.2 2,-0.9 89,-0.1 88,-0.1 0.740 87.1 82.1 -82.7 -26.7 21.7 29.8 -7.7 82 82 L D + 0 0 2 -43,-0.0 2,-0.6 2,-0.0 -1,-0.2 0.087 61.4 129.1 -69.8 27.8 20.3 27.1 -10.1 83 83 L F + 0 0 10 -2,-0.9 2,-0.3 -3,-0.3 22,-0.1 -0.776 36.4 86.0 -90.4 121.6 20.3 24.6 -7.2 84 84 L A E S- I 0 104B 2 20,-1.0 20,-2.4 -2,-0.6 2,-0.6 -0.973 80.0 -69.2 173.9-177.3 17.0 22.7 -6.9 85 85 L T E -FI 38 103B 22 -47,-1.7 -47,-2.3 -2,-0.3 2,-0.8 -0.899 44.7-144.1-101.7 117.4 14.8 19.8 -8.0 86 86 L Y E -F 37 0B 0 16,-1.7 -49,-0.2 -2,-0.6 2,-0.2 -0.715 17.6-164.1 -89.3 109.6 13.7 20.2 -11.7 87 87 L Y E -F 36 0B 6 -51,-2.1 -51,-2.9 -2,-0.8 2,-0.4 -0.579 6.9-158.5 -94.3 152.9 10.2 18.9 -12.3 88 88 L a E +F 35 0B 0 -53,-0.2 11,-1.3 -2,-0.2 2,-0.3 -0.989 11.7 177.6-129.6 133.3 8.5 18.1 -15.7 89 89 L Q E -FJ 34 98B 0 -55,-2.6 -55,-3.4 -2,-0.4 2,-0.3 -1.000 21.3-133.7-139.1 141.6 4.7 17.9 -16.3 90 90 L Q E -FJ 33 97B 0 7,-1.4 7,-0.6 -2,-0.3 -57,-0.2 -0.703 12.3-171.6 -93.9 140.1 2.6 17.3 -19.4 91 91 L H + 0 0 0 -59,-1.1 229,-1.0 -2,-0.3 -58,-0.1 -0.468 58.7 93.3-129.2 65.9 -0.4 19.4 -20.3 92 92 L N S S+ 0 0 57 1,-0.4 2,-0.3 227,-0.2 -1,-0.1 0.474 92.9 7.1-125.7 -15.6 -2.1 17.7 -23.2 93 93 L E S S- 0 0 73 -3,-0.2 -1,-0.4 2,-0.1 4,-0.2 -0.982 86.3 -58.7-164.0 157.9 -4.6 15.5 -21.4 94 94 L Y S S+ 0 0 63 -2,-0.3 2,-0.1 2,-0.1 182,-0.1 -0.587 98.7 44.4 -92.2 155.0 -6.1 14.8 -18.0 95 95 L P S S- 0 0 33 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.642 89.0-125.2 -78.3 159.7 -5.3 14.0 -15.4 96 96 L L - 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