==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 22-JUL-10 3O2D . COMPND 2 MOLECULE: IBALIZUMAB LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.M.FREEMAN,M.S.SEAMAN,S.RITS-VOLLOCH,X.HONG,D.D.HO,B.CHEN . 616 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 239 38.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 58 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 1 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 . 2 0 2 0 1 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 PARALLEL BRIDGES PER LADDER . 4 6 7 8 6 8 2 0 2 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 2 5 2 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 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 0 103 0, 0.0 2,-0.3 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 144.0 -1.6 23.1 28.9 2 2 L I - 0 0 3 97,-0.4 2,-0.6 94,-0.1 94,-0.1 -0.623 360.0-132.0 -72.1 131.3 -4.6 23.3 31.1 3 3 L V - 0 0 86 -2,-0.3 23,-1.4 99,-0.0 2,-0.5 -0.803 16.3-158.0 -92.9 122.8 -3.6 24.9 34.5 4 4 L M E -A 25 0A 13 -2,-0.6 2,-0.5 99,-0.4 101,-0.4 -0.861 8.7-169.3-102.8 126.4 -4.8 23.1 37.6 5 5 L T E -A 24 0A 78 19,-3.0 19,-2.9 -2,-0.5 2,-0.3 -0.964 1.1-168.9-123.3 123.1 -5.1 25.2 40.8 6 6 L Q E -A 23 0A 11 -2,-0.5 17,-0.2 17,-0.2 99,-0.1 -0.795 15.3-129.0-106.5 148.6 -5.6 23.8 44.3 7 7 L S E S+A 22 0A 53 15,-1.9 15,-2.5 -2,-0.3 2,-0.2 -0.983 72.3 22.5-156.9 149.0 -6.4 25.6 47.5 8 8 L P - 0 0 56 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.735 65.9-144.4 -77.3 174.4 -5.7 25.9 50.1 9 9 L D S S+ 0 0 132 1,-0.2 99,-3.1 98,-0.2 2,-0.3 0.818 85.7 7.7 -64.7 -34.3 -2.0 24.6 50.1 10 10 L S E -d 108 0B 63 97,-0.3 2,-0.3 81,-0.1 99,-0.2 -0.983 65.9-169.1-151.5 156.8 -2.4 23.1 53.5 11 11 L L E -d 109 0B 42 97,-2.3 99,-3.0 -2,-0.3 2,-0.4 -0.992 10.4-152.4-150.9 137.3 -5.3 22.5 55.9 12 12 L A E +d 110 0B 42 -2,-0.3 2,-0.4 97,-0.2 99,-0.2 -0.979 22.5 175.1-115.5 129.5 -5.4 21.4 59.6 13 13 L V E -d 111 0B 17 97,-2.3 99,-2.7 -2,-0.4 2,-0.2 -0.979 30.6-115.1-137.2 142.6 -8.5 19.5 60.7 14 14 L S E > -d 112 0B 52 -2,-0.4 3,-2.2 97,-0.2 70,-0.3 -0.498 50.2 -86.2 -73.1 146.6 -9.6 17.8 64.0 15 15 L L T 3 S+ 0 0 81 97,-1.5 70,-0.2 1,-0.3 -1,-0.1 -0.214 115.4 17.5 -48.1 134.3 -10.1 14.1 63.9 16 16 L G T 3 S+ 0 0 31 68,-3.0 -1,-0.3 1,-0.3 69,-0.1 0.193 97.5 117.7 85.9 -18.5 -13.7 13.3 62.8 17 17 L E S < S- 0 0 116 -3,-2.2 67,-2.9 66,-0.2 -1,-0.3 -0.282 70.4 -98.8 -75.9 171.1 -14.4 16.7 61.3 18 18 L R - 0 0 168 65,-0.2 2,-0.4 -3,-0.1 64,-0.2 -0.628 33.3-158.5 -89.5 150.3 -15.2 17.3 57.6 19 19 L V E - B 0 81A 3 62,-2.0 62,-2.4 -2,-0.2 2,-0.4 -0.994 6.2-168.9-133.1 134.2 -12.6 18.4 55.2 20 20 L T E - B 0 80A 61 -2,-0.4 2,-0.4 60,-0.2 60,-0.2 -0.996 2.8-173.2-126.1 130.4 -13.1 20.2 51.8 21 21 L M E - B 0 79A 0 58,-2.5 58,-2.3 -2,-0.4 2,-0.3 -0.982 15.0-143.9-125.2 133.9 -10.3 20.7 49.2 22 22 L N E -AB 7 78A 43 -15,-2.5 -15,-1.9 -2,-0.4 2,-0.4 -0.765 14.5-174.2-108.2 145.2 -10.8 22.7 46.1 23 23 L a E -AB 6 77A 0 54,-2.8 54,-3.3 -2,-0.3 2,-0.4 -0.995 5.3-173.6-136.6 128.6 -9.5 22.3 42.6 24 24 L K E -AB 5 76A 121 -19,-2.9 -19,-3.0 -2,-0.4 2,-0.3 -0.984 8.1-154.0-125.4 129.8 -10.0 24.7 39.7 25 25 L S E -A 4 0A 5 50,-1.6 -21,-0.2 -2,-0.4 4,-0.1 -0.765 23.2-127.8-103.4 155.2 -9.0 24.3 36.1 26 26 L S S S+ 0 0 72 -23,-1.4 2,-0.3 -2,-0.3 -22,-0.1 0.632 95.7 23.4 -75.6 -14.0 -8.3 27.0 33.5 27 27 L Q S S- 0 0 99 -24,-0.2 -1,-0.1 47,-0.1 -2,-0.1 -0.988 100.4 -77.1-148.3 160.9 -10.8 25.5 31.2 28 28 L S - 0 0 51 -2,-0.3 47,-0.2 1,-0.1 -2,-0.1 -0.270 27.1-169.2 -60.0 135.8 -13.8 23.2 31.3 29 29 L L + 0 0 0 45,-2.6 9,-2.5 -4,-0.1 2,-0.7 0.226 56.6 109.9-105.7 7.9 -13.1 19.4 31.8 30 30 L L E -J 37 0C 45 7,-0.2 2,-0.9 44,-0.1 7,-0.2 -0.786 63.8-146.1 -84.3 115.7 -16.7 18.5 31.1 31 30AL Y E >> -J 36 0C 9 5,-3.2 4,-2.2 -2,-0.7 5,-0.6 -0.746 5.0-153.5 -81.8 110.2 -17.0 16.8 27.8 32 30BL S T 45S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.2 485,-0.0 0.863 88.3 60.0 -51.6 -38.7 -20.4 18.0 26.4 33 30CL T T 45S+ 0 0 22 1,-0.2 439,-0.3 -3,-0.1 -1,-0.2 0.909 123.0 15.0 -60.4 -50.8 -20.8 14.8 24.3 34 30DL N T 45S- 0 0 20 -3,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.425 96.4-126.3-107.2 -0.1 -20.7 12.2 27.1 35 30EL Q T <5 + 0 0 94 -4,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.693 62.3 138.3 62.3 26.2 -21.3 14.5 30.0 36 30FL K E < -J 31 0C 81 -5,-0.6 -5,-3.2 37,-0.0 2,-0.6 -0.816 51.8-135.7-105.3 142.5 -18.3 13.3 31.9 37 31 L N E -J 30 0C 18 -2,-0.4 2,-1.9 19,-0.3 -7,-0.2 -0.878 13.9-142.8 -92.7 119.9 -15.8 15.3 33.7 38 32 L Y + 0 0 10 -9,-2.5 59,-2.1 -2,-0.6 60,-0.5 -0.500 58.0 122.8 -83.7 68.0 -12.2 14.2 32.9 39 33 L L E -E 96 0B 0 -2,-1.9 18,-3.1 57,-0.2 2,-0.3 -0.997 36.6-175.5-139.6 134.5 -10.9 14.8 36.5 40 34 L A E -E 95 0B 0 55,-2.8 55,-2.1 -2,-0.4 2,-0.4 -0.908 13.2-145.1-124.6 159.6 -9.2 12.5 39.0 41 35 L W E -EF 94 54B 0 13,-2.8 12,-3.3 -2,-0.3 13,-1.5 -0.971 14.3-169.0-121.4 143.3 -8.0 12.7 42.6 42 36 L Y E -EF 93 52B 0 51,-3.0 51,-2.3 -2,-0.4 2,-0.5 -0.925 13.2-144.5-126.8 154.8 -4.9 11.1 44.2 43 37 L Q E -EF 92 51B 11 8,-2.9 8,-1.9 -2,-0.3 2,-0.5 -0.966 12.0-168.9-115.5 127.9 -3.7 10.6 47.7 44 38 L Q E -E 91 0B 20 47,-3.1 47,-2.5 -2,-0.5 3,-0.1 -0.905 5.4-163.5-123.4 106.7 0.0 10.8 48.4 45 39 L K > - 0 0 42 -2,-0.5 3,-2.3 4,-0.4 45,-0.2 -0.454 44.0 -78.2 -80.3 153.3 1.1 9.7 51.9 46 40 L P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.263 118.1 10.6 -57.5 135.4 4.5 10.6 53.0 47 41 L G T 3 S+ 0 0 91 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.248 112.5 97.3 85.4 -14.6 7.1 8.3 51.5 48 42 L Q S < S- 0 0 109 -3,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.568 76.5-100.2-110.7 171.0 4.7 6.7 49.0 49 43 L S - 0 0 28 -2,-0.2 -4,-0.4 1,-0.2 -1,-0.1 -0.375 55.9 -86.6 -71.7 156.5 3.6 6.9 45.3 50 44 L P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.382 45.1-149.0 -63.4 151.3 0.4 8.8 44.6 51 45 L K E -F 43 0B 107 -8,-1.9 -8,-2.9 -3,-0.1 2,-0.1 -0.996 15.7-114.0-128.1 131.6 -2.6 6.6 44.8 52 46 L L E +F 42 0B 8 -2,-0.4 -10,-0.3 275,-0.3 3,-0.1 -0.371 38.7 163.1 -63.3 129.0 -5.9 7.0 42.8 53 47 L L E + 0 0 1 -12,-3.3 8,-3.3 1,-0.4 2,-0.3 0.753 62.6 7.7-108.6 -46.2 -8.9 7.9 44.9 54 48 L I E -FG 41 60B 0 -13,-1.5 -13,-2.8 6,-0.3 -1,-0.4 -0.992 55.7-177.3-144.8 144.0 -11.5 9.2 42.5 55 49 L Y E >> S+ G 0 59B 49 4,-2.5 4,-2.6 -2,-0.3 3,-0.7 -0.896 71.3 37.7-140.4 167.6 -12.0 9.4 38.7 56 50 L W T 34 S- 0 0 39 -2,-0.3 2,-1.0 1,-0.3 -19,-0.3 0.817 125.2 -80.9 53.1 30.1 -14.7 10.9 36.4 57 51 L A T 34 S+ 0 0 2 -18,-3.1 -1,-0.3 1,-0.2 21,-0.2 0.004 125.9 28.7 72.4 -31.9 -14.7 13.6 39.2 58 52 L S T <4 S+ 0 0 70 -2,-1.0 2,-0.7 -3,-0.7 12,-0.3 0.434 82.8 110.0-143.9 2.0 -16.9 11.5 41.5 59 53 L T E < -G 55 0B 61 -4,-2.6 -4,-2.5 10,-0.1 2,-0.3 -0.785 62.0-136.2 -88.8 120.6 -16.4 7.8 41.0 60 54 L R E -G 54 0B 90 -2,-0.7 -6,-0.3 -6,-0.2 3,-0.1 -0.535 19.9-116.3 -74.3 129.2 -14.6 6.3 43.9 61 55 L E > - 0 0 50 -8,-3.3 3,-2.1 -2,-0.3 -1,-0.1 -0.383 44.1 -86.4 -60.7 144.6 -11.8 3.8 43.1 62 56 L S T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.309 116.4 21.5 -51.9 126.0 -12.4 0.2 44.3 63 57 L G T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.237 89.5 125.5 94.8 -13.7 -11.2 -0.1 47.9 64 58 L V < - 0 0 13 -3,-2.1 -1,-0.3 -11,-0.2 -4,-0.1 -0.668 68.1-110.9 -82.2 131.1 -11.3 3.6 48.8 65 59 L P > - 0 0 44 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.228 21.0-123.2 -62.5 146.3 -13.4 4.4 51.9 66 60 L D T 3 S+ 0 0 123 1,-0.3 16,-0.1 -6,-0.1 -2,-0.0 0.518 102.1 84.9 -78.0 1.5 -16.7 6.2 51.2 67 61 L R T 3 S+ 0 0 46 14,-0.1 15,-2.3 16,-0.1 2,-0.6 0.781 81.0 79.5 -59.6 -30.2 -15.7 9.0 53.6 68 62 L F E < +C 81 0A 4 -3,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.739 64.6 165.1 -79.4 121.1 -13.9 10.2 50.4 69 63 L S E -C 80 0A 42 11,-2.4 11,-3.1 -2,-0.6 2,-0.3 -0.999 21.8-152.6-139.4 146.9 -16.2 11.9 47.9 70 64 L G E +C 79 0A 12 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.738 20.0 159.7-110.8 157.0 -15.8 14.1 44.8 71 65 L S E +C 78 0A 57 7,-1.5 7,-2.1 -2,-0.3 2,-0.1 -0.948 21.9 81.5-160.8 175.7 -18.1 16.7 43.3 72 66 L G E -C 77 0A 39 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.368 45.7-138.4 105.7 177.1 -18.1 19.7 41.0 73 67 L S E > +C 76 0A 63 3,-1.4 3,-1.8 -2,-0.1 2,-1.1 -0.985 59.5 8.2-168.7 155.7 -18.2 20.1 37.3 74 68 L G T 3 S- 0 0 12 -2,-0.3 -45,-2.6 1,-0.3 -47,-0.1 -0.471 130.8 -11.5 70.5 -99.6 -16.8 22.1 34.5 75 69 L T T 3 S+ 0 0 60 -2,-1.1 -50,-1.6 -47,-0.2 2,-0.4 0.351 123.6 66.8-118.8 3.7 -14.0 24.1 36.0 76 70 L D E < +BC 24 73A 73 -3,-1.8 -3,-1.4 -52,-0.2 2,-0.3 -0.967 55.0 170.5-136.3 124.8 -14.5 23.7 39.7 77 71 L F E -BC 23 72A 0 -54,-3.3 -54,-2.8 -2,-0.4 2,-0.4 -0.911 13.9-158.4-134.4 156.6 -14.1 20.6 41.8 78 72 L T E -BC 22 71A 27 -7,-2.1 -7,-1.5 -2,-0.3 2,-0.5 -0.993 7.6-155.6-135.6 136.1 -14.0 19.5 45.5 79 73 L L E -BC 21 70A 0 -58,-2.3 -58,-2.5 -2,-0.4 2,-0.4 -0.983 23.4-166.6-105.5 130.5 -12.7 16.5 47.3 80 74 L T E -BC 20 69A 19 -11,-3.1 -11,-2.4 -2,-0.5 2,-0.5 -0.883 21.3-162.1-115.2 142.2 -14.5 15.9 50.6 81 75 L I E -BC 19 68A 0 -62,-2.4 -62,-2.0 -2,-0.4 3,-0.4 -0.982 12.7-158.7-116.9 112.6 -13.6 13.8 53.5 82 76 L S S S+ 0 0 68 -15,-2.3 2,-0.2 -2,-0.5 -1,-0.1 0.817 83.1 6.3 -66.5 -30.3 -16.8 13.4 55.5 83 77 L S S S- 0 0 45 -65,-0.1 -1,-0.3 -16,-0.1 -65,-0.2 -0.784 85.6-132.1-152.3 101.4 -15.1 12.5 58.7 84 78 L V - 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