==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 28-NOV-09 3AAZ . COMPND 2 MOLECULE: HUMANIZED RECOMBINANT FAB FRAGMENT OF A MURINE; A . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.A.STRELTSOV . 914 4 9 8 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 566 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 355 38.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 88 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 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 2 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 0 0 PARALLEL BRIDGES PER LADDER . 6 10 10 4 12 16 2 0 1 3 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 8 0 4 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 A Q 0 0 204 0, 0.0 2,-0.3 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 140.0 -52.3 20.7 5.4 2 2 A V + 0 0 26 24,-0.1 2,-0.3 22,-0.0 24,-0.2 -0.709 360.0 177.6 -85.7 147.2 -50.1 22.4 7.9 3 3 A T E -A 25 0A 43 22,-1.7 22,-1.9 -2,-0.3 2,-0.4 -0.989 17.8-158.9-146.8 146.2 -49.2 26.0 7.1 4 4 A L E -A 24 0A 15 111,-0.3 113,-0.5 -2,-0.3 2,-0.4 -0.976 9.8-170.6-125.8 143.5 -47.2 28.8 8.8 5 5 A K E -A 23 0A 122 18,-1.9 18,-2.3 -2,-0.4 2,-0.3 -0.990 10.0-149.6-138.8 127.4 -47.6 32.5 8.1 6 6 A E E +A 22 0A 9 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.730 23.6 163.4 -92.1 144.6 -45.5 35.4 9.3 7 7 A S E +A 21 0A 55 14,-1.9 14,-2.8 -2,-0.3 112,-0.1 -0.965 15.9 104.3-146.9 170.4 -46.9 38.8 9.9 8 8 A G S S- 0 0 36 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.943 72.2 -20.4 149.2-171.3 -45.8 42.0 11.8 9 9 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 110,-0.0 -0.439 37.8-160.7 -70.4 146.7 -44.4 45.4 10.9 10 10 A T S S+ 0 0 32 1,-0.2 112,-1.8 111,-0.1 2,-0.4 0.562 82.6 42.4 -93.4 -19.7 -42.8 45.9 7.5 11 11 A L E +d 122 0B 39 110,-0.2 2,-0.4 112,-0.1 -1,-0.2 -0.992 61.3 173.7-138.8 130.3 -41.0 49.0 8.7 12 12 A V E -d 123 0B 8 110,-2.2 112,-1.6 -2,-0.4 6,-0.1 -1.000 31.8-123.1-137.8 127.7 -39.2 49.7 12.0 13 13 A K > - 0 0 73 -2,-0.4 3,-1.8 110,-0.2 74,-0.3 -0.491 44.4 -90.2 -69.6 144.9 -37.3 52.8 12.7 14 14 A P T 3 S+ 0 0 1 0, 0.0 74,-0.2 0, 0.0 631,-0.1 -0.315 114.4 25.5 -56.9 140.1 -33.6 52.1 13.7 15 15 A T T 3 S+ 0 0 15 72,-3.2 71,-0.7 1,-0.3 838,-0.1 0.097 103.8 109.3 89.0 -16.9 -33.1 51.6 17.5 16 16 A Q S < S- 0 0 75 -3,-1.8 71,-3.1 70,-0.2 2,-0.4 -0.255 72.1 -97.0 -87.5-179.4 -36.7 50.5 17.8 17 17 A T - 0 0 52 69,-0.2 2,-0.5 68,-0.2 68,-0.2 -0.783 23.8-149.6-111.6 135.0 -38.2 47.1 18.6 18 18 A L E - B 0 84A 2 66,-3.2 66,-2.5 -2,-0.4 2,-0.5 -0.893 8.4-171.1-102.9 126.4 -39.5 44.5 16.1 19 19 A T E - B 0 83A 69 -2,-0.5 2,-0.3 64,-0.2 64,-0.2 -0.963 10.9-178.0-114.6 113.4 -42.3 42.1 17.1 20 20 A L E - B 0 82A 0 62,-3.1 62,-2.5 -2,-0.5 2,-0.4 -0.885 9.0-153.7-111.6 150.4 -42.9 39.3 14.5 21 21 A T E -AB 7 81A 27 -14,-2.8 -14,-1.9 -2,-0.3 2,-0.5 -0.943 9.4-162.3-126.2 144.7 -45.6 36.6 14.6 22 22 A a E -AB 6 80A 0 58,-1.8 58,-1.2 -2,-0.4 2,-0.4 -0.967 14.4-163.5-126.5 108.8 -45.9 33.1 13.2 23 23 A T E -AB 5 79A 46 -18,-2.3 -18,-1.9 -2,-0.5 2,-0.3 -0.824 7.4-150.4 -96.0 139.8 -49.4 31.7 13.1 24 24 A F E -A 4 0A 5 54,-1.6 2,-0.3 -2,-0.4 -20,-0.2 -0.774 13.4-177.3-111.0 150.2 -49.9 28.0 12.6 25 25 A S E +A 3 0A 60 -22,-1.9 -22,-1.7 -2,-0.3 3,-0.1 -0.966 60.3 41.7-139.9 156.1 -52.8 26.1 11.0 26 26 A G S S+ 0 0 63 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.293 115.4 33.0 92.5 -10.1 -53.6 22.5 10.6 27 27 A F S S- 0 0 43 -24,-0.1 2,-0.5 51,-0.1 -24,-0.1 -0.933 83.6-108.3-160.0 174.2 -52.4 21.4 14.0 28 28 A S > - 0 0 58 -2,-0.3 3,-1.1 -3,-0.1 2,-0.4 -0.970 9.4-153.5-120.9 114.7 -52.3 22.9 17.5 29 29 A L T 3 S+ 0 0 5 -2,-0.5 49,-0.2 1,-0.2 4,-0.1 -0.754 90.7 66.3 -67.8 136.0 -49.2 24.1 19.3 30 30 A R T 3 S+ 0 0 182 -2,-0.4 -1,-0.2 2,-0.3 45,-0.0 0.009 111.9 34.9 124.2 -22.9 -50.5 23.5 22.8 31 31 A T S < S+ 0 0 102 -3,-1.1 2,-0.2 44,-0.0 -2,-0.2 0.362 100.5 88.4-138.6 -7.0 -50.6 19.8 22.2 32 32 A S - 0 0 30 -4,-0.4 -2,-0.3 2,-0.1 -5,-0.0 -0.672 64.0-139.2-103.9 158.0 -47.6 19.0 19.9 33 33 A R + 0 0 101 -2,-0.2 22,-0.6 -4,-0.1 23,-0.1 0.377 61.2 127.7 -86.5 2.9 -44.0 18.2 20.6 34 34 A V - 0 0 12 20,-0.1 2,-0.2 21,-0.1 67,-0.2 -0.214 50.5-138.7 -68.6 148.3 -42.7 20.4 17.7 35 35 A G E -E 100 0C 3 65,-1.7 65,-2.1 19,-0.2 2,-0.3 -0.567 13.1-152.6 -88.7 162.5 -39.9 23.1 17.8 36 36 A V E -EF 99 53C 1 17,-2.2 17,-2.4 63,-0.2 2,-0.3 -0.974 10.5-168.5-140.1 127.0 -40.2 26.4 16.0 37 37 A S E -EF 98 52C 0 61,-3.2 61,-2.2 -2,-0.3 2,-0.4 -0.758 16.8-138.5-106.3 159.8 -37.3 28.5 14.7 38 38 A W E +EF 97 51C 0 13,-2.3 12,-2.7 -2,-0.3 13,-1.2 -0.979 26.7 177.3-111.7 134.4 -36.9 32.0 13.3 39 39 A I E -EF 96 49C 0 57,-2.9 57,-3.8 -2,-0.4 2,-0.3 -0.961 8.6-160.1-133.1 147.0 -34.5 32.4 10.3 40 40 A R E -EF 95 48C 14 8,-2.7 8,-2.7 -2,-0.3 55,-0.2 -0.949 10.6-166.9-132.0 154.5 -33.7 35.5 8.3 41 41 A Q E -E 94 0C 23 53,-2.9 53,-2.8 -2,-0.3 6,-0.2 -0.921 14.5-148.9-137.3 110.4 -32.2 36.3 4.9 42 42 A P > - 0 0 27 0, 0.0 3,-2.5 0, 0.0 51,-0.2 -0.471 50.9 -76.7 -70.9 154.3 -31.1 39.8 4.0 43 43 A P T 3 S+ 0 0 98 0, 0.0 3,-0.1 0, 0.0 49,-0.0 -0.272 118.7 5.3 -59.8 135.1 -31.6 40.5 0.3 44 44 A G T 3 S+ 0 0 86 1,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.485 114.7 103.7 73.9 5.1 -28.8 38.8 -1.8 45 45 A K S < S- 0 0 103 -3,-2.5 -1,-0.2 1,-0.1 3,-0.1 -0.595 74.2 -91.9-112.3 173.8 -27.4 37.1 1.4 46 46 A A - 0 0 32 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.247 49.5 -88.0 -76.9 165.2 -27.4 33.7 3.0 47 47 A L - 0 0 10 286,-0.3 2,-0.4 -6,-0.2 285,-0.4 -0.535 39.8-161.0 -70.2 142.6 -29.9 32.4 5.5 48 48 A E E -F 40 0C 65 -8,-2.7 -8,-2.7 -2,-0.2 2,-0.2 -0.988 14.1-133.0-127.4 124.5 -29.1 33.1 9.2 49 49 A W E +F 39 0C 3 281,-0.5 -10,-0.2 -2,-0.4 3,-0.1 -0.562 26.0 176.3 -74.3 139.0 -30.7 31.1 12.1 50 50 A L E - 0 0 0 -12,-2.7 12,-2.2 1,-0.4 2,-0.3 0.781 52.0 -22.4-112.8 -46.7 -31.9 33.4 14.9 51 51 A A E -FG 38 61C 0 -13,-1.2 -13,-2.3 10,-0.2 -1,-0.4 -0.961 47.1-152.7-171.3 151.3 -33.7 31.5 17.6 52 52 A H E -FG 37 60C 4 8,-2.1 8,-2.2 -2,-0.3 2,-0.4 -0.995 3.6-162.9-140.0 146.7 -35.5 28.2 18.3 53 53 A I E -FG 36 59C 0 -17,-2.4 -17,-2.2 -2,-0.3 6,-0.2 -0.995 12.0-149.6-130.8 130.2 -38.2 27.3 20.8 54 54 A Y > - 0 0 78 4,-2.0 3,-1.3 -2,-0.4 -19,-0.2 -0.381 35.5 -95.2 -94.0 177.7 -39.0 23.7 21.8 55 55 A W T 3 S+ 0 0 135 -22,-0.6 -21,-0.1 1,-0.3 -1,-0.1 0.793 123.3 51.2 -61.5 -25.6 -42.4 22.3 22.9 56 56 A D T 3 S- 0 0 84 -23,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.528 120.0-103.0 -97.1 -7.7 -41.5 22.7 26.5 57 57 A D S < S+ 0 0 77 -3,-1.3 -2,-0.1 1,-0.4 2,-0.1 0.445 73.5 141.1 95.2 8.7 -40.4 26.4 26.3 58 58 A D - 0 0 73 -5,-0.0 -4,-2.0 1,-0.0 -1,-0.4 -0.391 36.1-158.9 -61.3 153.7 -36.8 25.8 26.4 59 59 A K E -G 53 0C 54 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.996 19.5-163.4-146.0 145.4 -35.0 28.2 24.0 60 60 A R E -G 52 0C 96 -8,-2.2 -8,-2.1 -2,-0.3 2,-0.4 -0.928 13.4-166.2-126.3 157.5 -31.8 28.6 22.1 61 61 A Y E -G 51 0C 32 -2,-0.3 -10,-0.2 -10,-0.2 5,-0.1 -0.990 34.1 -97.8-144.3 142.1 -30.4 31.7 20.5 62 62 A N >> - 0 0 15 -12,-2.2 3,-2.7 -2,-0.4 4,-1.5 -0.568 39.9-134.3 -56.4 114.8 -27.8 32.8 18.0 63 63 A P T 34 S+ 0 0 72 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.749 100.5 55.4 -44.6 -37.6 -24.9 33.8 20.4 64 64 A S T 34 S+ 0 0 95 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.524 120.6 28.0 -85.8 -0.1 -24.1 37.0 18.5 65 65 A L T X> S+ 0 0 13 -3,-2.7 3,-2.4 -15,-0.1 4,-0.6 0.435 86.6 108.6-132.3 -4.2 -27.7 38.4 18.8 66 66 A K G >< S+ 0 0 124 -4,-1.5 3,-1.4 1,-0.3 -2,-0.1 0.805 73.9 59.7 -37.3 -51.7 -28.9 36.7 22.0 67 67 A S G 34 S+ 0 0 106 -4,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.677 113.1 38.3 -61.6 -21.5 -28.9 40.0 24.0 68 68 A R G <4 S+ 0 0 45 -3,-2.4 17,-2.1 16,-0.1 2,-0.4 0.447 103.3 87.1-108.0 -0.5 -31.4 41.5 21.6 69 69 A L E << +C 84 0A 6 -3,-1.4 2,-0.4 -4,-0.6 15,-0.2 -0.810 41.2 175.0-108.2 141.5 -33.7 38.5 20.9 70 70 A T E -C 83 0A 73 13,-2.2 13,-2.4 -2,-0.4 2,-0.4 -0.966 7.5-170.1-134.6 124.7 -36.7 37.0 22.6 71 71 A I E +C 82 0A 0 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.914 20.0 163.7-107.5 136.9 -38.7 34.1 21.3 72 72 A S E -C 81 0A 43 9,-2.6 9,-2.7 -2,-0.4 2,-0.3 -0.912 26.9-125.5-146.3 174.7 -42.0 33.2 22.9 73 73 A K E -C 80 0A 42 -2,-0.3 2,-0.3 7,-0.3 7,-0.2 -0.921 11.6-173.7-128.3 147.9 -45.2 31.3 22.5 74 74 A D E > > +C 79 0A 50 5,-2.2 5,-2.9 -2,-0.3 3,-0.8 -0.785 11.6 177.4-136.0 93.9 -48.9 32.1 22.6 75 75 A T T 3 5S+ 0 0 51 -2,-0.3 -46,-0.1 1,-0.3 -1,-0.1 0.578 74.0 63.2 -80.0 -11.9 -50.7 28.8 22.3 76 76 A S T 3 5S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 -46,-0.0 0.693 115.3 34.4 -84.4 -20.4 -54.3 30.1 22.7 77 77 A K T < 5S- 0 0 124 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.209 113.2-123.7-110.5 7.3 -53.7 32.0 19.5 78 78 A N T 5 + 0 0 27 1,-0.2 -54,-1.6 -49,-0.2 -3,-0.2 0.792 66.1 132.7 54.5 34.8 -51.5 29.2 18.2 79 79 A Q E < -BC 23 74A 34 -5,-2.9 -5,-2.2 -56,-0.2 2,-0.4 -0.643 50.5-151.2-113.5 168.7 -48.6 31.6 17.6 80 80 A V E -BC 22 73A 0 -58,-1.2 -58,-1.8 -7,-0.2 2,-0.3 -0.991 25.3-153.9-135.2 130.5 -44.8 31.9 18.2 81 81 A V E -BC 21 72A 27 -9,-2.7 -9,-2.6 -2,-0.4 2,-0.4 -0.801 10.7-160.8-113.6 148.0 -43.5 35.4 18.6 82 82 A L E -BC 20 71A 1 -62,-2.5 -62,-3.1 -2,-0.3 2,-0.4 -0.999 5.7-169.6-123.9 129.9 -40.1 37.0 18.0 83 83 A T E -BC 19 70A 35 -13,-2.4 -13,-2.2 -2,-0.4 2,-0.4 -0.962 4.1-175.8-116.0 133.3 -39.1 40.3 19.6 84 84 A M E -BC 18 69A 0 -66,-2.5 -66,-3.2 -2,-0.4 3,-0.3 -0.955 10.7-156.2-135.1 114.3 -35.9 41.9 18.4 85 85 A T + 0 0 42 -17,-2.1 -68,-0.2 -2,-0.4 -69,-0.2 -0.431 65.9 23.1 -91.2 163.4 -34.8 45.1 20.1 86 86 A N S S- 0 0 55 -71,-0.7 -1,-0.2 -2,-0.1 -70,-0.2 0.940 81.6-150.1 53.1 55.7 -32.6 47.9 18.9 87 87 A M - 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