==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 17-JUL-08 3DUU . COMPND 2 MOLECULE: ANTIBODY FV FRAGMENT SAG506-01; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.L.BROOKS,R.J.BLACKLER,S.GERSTENBRUCH,P.KOSMA,S.MULLER- . 466 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 37.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 49 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 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 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 PARALLEL BRIDGES PER LADDER . 1 9 8 0 5 7 4 0 0 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 . 4 0 3 1 2 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 D 0 0 173 0, 0.0 2,-0.3 0, 0.0 101,-0.0 0.000 360.0 360.0 360.0 87.5 -6.9 -9.3 13.1 2 2 A I - 0 0 12 97,-0.2 2,-0.5 24,-0.1 94,-0.1 -0.603 360.0-142.2 -76.7 139.2 -4.5 -9.8 10.2 3 3 A V - 0 0 62 -2,-0.3 23,-0.8 99,-0.0 2,-0.5 -0.916 13.5-166.1-115.6 126.5 -6.2 -11.2 7.1 4 4 A L E +A 25 0A 16 -2,-0.5 101,-0.6 99,-0.3 2,-0.4 -0.923 8.2 176.0-119.3 120.4 -4.7 -13.8 4.7 5 5 A T E -A 24 0A 81 19,-1.4 19,-1.6 -2,-0.5 2,-0.4 -0.923 11.6-158.4-121.7 140.3 -6.0 -14.6 1.3 6 6 A Q - 0 0 18 -2,-0.4 17,-0.2 17,-0.2 -2,-0.0 -0.977 17.1-120.4-129.0 124.4 -4.4 -17.0 -1.2 7 7 A S S S+ 0 0 79 -2,-0.4 15,-3.4 15,-0.2 2,-0.1 -0.926 83.5 29.1-117.2 140.0 -4.9 -17.1 -5.0 8 8 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.604 66.8-148.5 -84.7 174.1 -5.8 -19.1 -6.7 9 9 A S S S- 0 0 101 1,-0.2 99,-2.0 98,-0.2 2,-0.3 0.888 84.3 -4.5 -64.5 -39.7 -8.2 -21.2 -4.6 10 10 A S E -d 108 0B 51 97,-0.2 2,-0.3 81,-0.0 -1,-0.2 -0.973 65.7-177.5-149.5 159.2 -7.2 -24.2 -6.6 11 11 A L E -d 109 0B 31 97,-2.4 99,-2.3 -2,-0.3 2,-0.3 -0.984 9.8-150.9-154.9 159.5 -5.1 -25.2 -9.6 12 12 A A E +d 110 0B 40 -2,-0.3 2,-0.3 97,-0.2 99,-0.2 -0.951 20.7 152.6-134.3 155.7 -4.1 -28.2 -11.7 13 13 A V E -d 111 0B 26 97,-1.1 99,-1.9 -2,-0.3 2,-0.4 -0.964 40.5-104.1-166.3 165.6 -1.1 -29.3 -13.7 14 14 A S > - 0 0 70 -2,-0.3 3,-1.4 97,-0.2 70,-0.2 -0.841 55.2 -83.3-103.8 147.9 0.8 -32.3 -14.9 15 15 A A T 3 S+ 0 0 66 -2,-0.4 70,-0.2 1,-0.2 -1,-0.1 -0.009 108.9 35.8 -53.0 147.4 4.0 -33.4 -13.1 16 16 A G T 3 S+ 0 0 52 68,-2.9 -1,-0.2 1,-0.4 69,-0.1 -0.007 92.6 103.8 102.0 -28.2 7.3 -31.7 -14.1 17 17 A E < - 0 0 50 -3,-1.4 67,-3.5 67,-0.2 66,-1.4 -0.108 68.9-111.3 -75.6-179.6 5.9 -28.3 -14.8 18 18 A R E + B 0 82A 159 64,-0.2 2,-0.3 65,-0.2 64,-0.2 -0.822 32.1 176.9-114.2 151.3 6.2 -25.1 -12.6 19 19 A V E - B 0 81A 16 62,-1.3 62,-2.4 -2,-0.3 2,-0.3 -0.988 11.7-160.1-150.1 157.0 3.4 -23.2 -10.6 20 20 A T E - B 0 80A 56 -2,-0.3 2,-0.3 60,-0.2 60,-0.2 -0.953 5.8-174.8-135.7 158.2 3.0 -20.3 -8.3 21 21 A M E - B 0 79A 6 58,-1.3 58,-1.6 -2,-0.3 2,-0.4 -0.928 23.3-108.9-146.0 165.9 0.3 -19.2 -5.8 22 22 A S E - B 0 78A 45 -15,-3.4 2,-0.4 -2,-0.3 -15,-0.2 -0.816 18.9-175.3-113.6 138.4 -0.3 -16.1 -3.6 23 23 A a E - B 0 77A 0 54,-2.8 54,-3.2 -2,-0.4 2,-0.4 -0.998 16.6-175.7-115.0 132.8 -0.2 -15.1 -0.0 24 24 A K E -AB 5 76A 87 -19,-1.6 -19,-1.4 -2,-0.4 2,-0.3 -0.993 10.5-151.7-128.6 121.7 -1.3 -11.5 0.6 25 25 A S E -A 4 0A 4 50,-3.7 -21,-0.2 -2,-0.4 3,-0.1 -0.741 14.4-144.1 -99.3 144.5 -1.2 -10.0 4.1 26 26 A S S S+ 0 0 67 -23,-0.8 2,-0.4 -2,-0.3 -1,-0.1 0.801 91.9 27.6 -72.9 -33.7 -3.4 -7.2 5.4 27 27 A Q S S- 0 0 111 47,-0.1 -1,-0.2 -24,-0.1 -25,-0.0 -0.993 103.0 -88.7-130.7 140.2 -0.6 -5.7 7.4 28 27AA S - 0 0 57 -2,-0.4 47,-0.2 1,-0.1 -2,-0.1 -0.060 30.0-161.1 -41.0 141.0 3.1 -5.8 6.7 29 27BA L + 0 0 0 45,-2.0 9,-2.7 -4,-0.1 2,-0.3 0.304 49.6 121.6-111.4 5.0 4.7 -8.9 8.3 30 27CA F E -J 37 0C 80 7,-0.2 2,-0.8 8,-0.1 7,-0.3 -0.572 54.0-145.9 -78.0 129.9 8.3 -7.6 8.2 31 27DA K E >>> -J 36 0C 41 5,-3.5 3,-2.2 -2,-0.3 4,-1.5 -0.829 11.1-167.1-103.8 101.4 10.0 -7.3 11.6 32 27EA S T 345S+ 0 0 113 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.882 83.5 77.9 -47.5 -42.6 12.4 -4.4 11.9 33 27FA R T 345S- 0 0 174 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.632 123.2 -7.4 -41.1 -22.8 13.6 -6.1 15.0 34 28 A N T <45S- 0 0 41 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.313 95.3 -97.4-168.9 12.0 15.7 -8.5 12.8 35 29 A Q T <5S+ 0 0 158 -4,-1.5 2,-0.4 -3,-0.3 -3,-0.2 0.732 76.9 145.3 68.9 20.9 15.0 -8.2 9.1 36 30 A K E < -J 31 0C 16 -5,-1.2 -5,-3.5 311,-0.1 2,-0.8 -0.799 46.5-148.3-101.2 134.1 12.5 -11.2 9.4 37 31 A N E -J 30 0C 23 -2,-0.4 2,-2.4 19,-0.3 -7,-0.2 -0.871 19.8-141.8 -95.4 108.5 9.3 -11.6 7.4 38 32 A Y + 0 0 8 -9,-2.7 59,-1.7 -2,-0.8 60,-0.4 -0.377 58.3 111.9 -79.2 72.6 7.0 -13.5 9.7 39 33 A L E -E 96 0B 1 -2,-2.4 18,-2.5 57,-0.2 2,-0.3 -0.976 39.6-173.5-148.1 130.8 5.3 -15.8 7.2 40 34 A A E -E 95 0B 0 55,-2.6 55,-2.0 -2,-0.3 2,-0.4 -0.875 15.7-138.6-125.4 153.7 5.3 -19.6 6.7 41 35 A W E -EF 94 54B 0 13,-2.3 12,-2.7 -2,-0.3 13,-1.1 -0.927 15.9-164.3-111.3 133.3 4.0 -22.1 4.1 42 36 A Y E -EF 93 52B 0 51,-2.9 51,-2.4 -2,-0.4 2,-0.6 -0.962 8.0-153.0-119.6 133.2 2.5 -25.5 5.1 43 37 A Q E -EF 92 51B 5 8,-2.3 8,-2.3 -2,-0.4 2,-0.6 -0.909 9.8-171.6-100.5 120.9 1.9 -28.5 2.8 44 38 A Q E -E 91 0B 14 47,-2.5 47,-1.5 -2,-0.6 3,-0.2 -0.823 13.8-149.3-114.3 93.7 -1.0 -30.8 3.9 45 39 A K > - 0 0 49 -2,-0.6 3,-1.9 4,-0.4 45,-0.2 -0.327 48.4 -73.8 -57.8 137.5 -1.1 -33.9 1.8 46 40 A P T 3 S- 0 0 90 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.013 117.6 -0.8 -41.2 123.2 -4.7 -35.1 1.5 47 41 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.2 -2,-0.1 0.731 114.2 106.1 68.1 24.5 -5.8 -36.7 4.8 48 42 A Q S < S- 0 0 102 -3,-1.9 -1,-0.2 -4,-0.1 3,-0.1 -0.835 77.7 -89.7-128.7 165.3 -2.5 -36.1 6.4 49 43 A S - 0 0 40 -2,-0.3 -4,-0.4 1,-0.1 177,-0.1 -0.521 55.1 -95.3 -73.0 143.2 -1.0 -33.8 9.0 50 44 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.204 33.7-146.3 -59.4 147.2 0.5 -30.5 7.7 51 45 A K E -F 43 0B 80 -8,-2.3 -8,-2.3 172,-0.1 2,-0.5 -0.950 16.4-121.8-116.3 133.5 4.2 -30.2 7.0 52 46 A L E +F 42 0B 6 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.668 37.1 167.8 -69.6 122.5 6.3 -27.0 7.5 53 47 A L E + 0 0 0 -12,-2.7 8,-2.6 -2,-0.5 2,-0.4 0.847 60.9 5.0 -96.4 -59.5 7.8 -26.1 4.1 54 48 A I E -FG 41 60B 0 -13,-1.1 -13,-2.3 6,-0.2 -1,-0.4 -0.990 59.9-176.1-136.4 136.2 9.2 -22.6 4.4 55 49 A Y E > + G 0 59B 2 4,-2.3 4,-1.9 -2,-0.4 -15,-0.2 -0.867 68.1 33.1-127.1 166.3 9.5 -20.2 7.3 56 50 A W T 4 S- 0 0 19 162,-0.3 2,-2.6 -2,-0.3 -19,-0.3 0.877 121.3 -80.4 53.4 40.5 10.8 -16.6 7.5 57 51 A A T 4 S+ 0 0 2 -18,-2.5 -1,-0.2 1,-0.2 21,-0.1 -0.307 125.3 27.5 71.2 -57.2 9.4 -16.0 4.0 58 52 A S T 4 S+ 0 0 68 -2,-2.6 2,-0.8 -3,-0.1 12,-0.3 0.475 87.9 107.4-120.1 -5.1 12.2 -17.6 2.0 59 53 A T E < -G 55 0B 21 -4,-1.9 -4,-2.3 10,-0.1 -2,-0.1 -0.699 58.2-142.1 -88.2 109.6 14.0 -20.2 4.2 60 54 A R E -G 54 0B 85 -2,-0.8 -6,-0.2 -6,-0.2 2,-0.1 -0.399 23.9-123.4 -57.8 142.7 13.3 -23.9 3.2 61 55 A E > - 0 0 22 -8,-2.6 3,-1.3 1,-0.1 -1,-0.1 -0.413 43.0 -70.4 -81.3 164.6 13.0 -26.1 6.3 62 56 A S T 3 S+ 0 0 76 1,-0.2 -1,-0.1 -2,-0.1 189,-0.0 -0.353 119.3 12.9 -57.5 130.7 15.2 -29.1 6.9 63 57 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.2 -3,-0.1 -10,-0.0 0.062 90.3 130.2 93.5 -25.5 14.5 -32.0 4.4 64 58 A V < - 0 0 12 -3,-1.3 -1,-0.3 -11,-0.2 -4,-0.1 -0.395 64.2-108.2 -65.9 138.1 12.3 -30.0 2.0 65 59 A P > - 0 0 32 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.273 21.7-122.4 -59.9 151.3 13.2 -30.3 -1.7 66 60 A D T 3 S+ 0 0 132 1,-0.3 16,-0.1 -6,-0.1 -2,-0.1 0.533 102.1 82.6 -80.5 -5.2 14.8 -27.3 -3.3 67 61 A R T 3 S+ 0 0 60 14,-0.1 15,-2.1 16,-0.1 2,-0.5 0.583 79.3 80.8 -73.3 -11.3 12.0 -27.1 -5.9 68 62 A F E < +C 81 0A 4 -3,-1.3 2,-0.3 13,-0.2 13,-0.2 -0.853 59.4 168.9 -92.5 131.7 10.1 -25.3 -3.2 69 63 A T E -C 80 0A 50 11,-1.8 11,-2.4 -2,-0.5 2,-0.3 -0.937 17.3-161.1-144.3 118.3 11.0 -21.6 -2.9 70 64 A G E +C 79 0A 1 -2,-0.3 2,-0.3 -12,-0.3 9,-0.2 -0.700 20.7 171.3 -89.1 152.6 9.1 -19.0 -0.9 71 65 A S E +C 78 0A 51 7,-2.1 7,-3.0 -2,-0.3 2,-0.2 -0.977 19.1 72.9-155.6 168.0 9.6 -15.4 -1.8 72 66 A G E -C 77 0A 35 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.522 45.4-131.1 116.5 174.7 8.3 -11.9 -1.0 73 67 A S E > +C 76 0A 74 3,-1.3 3,-1.7 -2,-0.2 2,-0.9 -0.941 64.5 4.2-155.4 168.3 8.3 -9.3 1.8 74 68 A G T 3 S- 0 0 16 -2,-0.3 -45,-2.0 1,-0.2 -47,-0.1 -0.259 129.7 -14.4 57.1 -93.7 5.9 -7.1 3.7 75 69 A T T 3 S+ 0 0 42 -2,-0.9 -50,-3.7 -47,-0.2 2,-0.6 0.557 122.2 70.4-120.6 -16.8 2.4 -7.9 2.5 76 70 A D E < +BC 24 73A 83 -3,-1.7 -3,-1.3 -52,-0.2 2,-0.3 -0.928 55.7 167.8-114.8 119.1 2.9 -9.9 -0.7 77 71 A F E -BC 23 72A 1 -54,-3.2 -54,-2.8 -2,-0.6 2,-0.3 -0.897 11.9-163.4-128.0 153.1 4.3 -13.4 -0.5 78 72 A T E -BC 22 71A 44 -7,-3.0 -7,-2.1 -2,-0.3 2,-0.5 -0.998 11.8-153.1-143.0 139.9 4.6 -16.2 -3.1 79 73 A L E -BC 21 70A 1 -58,-1.6 -58,-1.3 -2,-0.3 2,-0.4 -0.960 17.6-173.1-111.2 125.9 5.2 -20.0 -3.2 80 74 A T E -BC 20 69A 13 -11,-2.4 -11,-1.8 -2,-0.5 2,-0.5 -0.947 11.5-164.9-117.2 138.9 6.8 -21.4 -6.4 81 75 A I E -BC 19 68A 2 -62,-2.4 -62,-1.3 -2,-0.4 2,-1.1 -0.927 8.9-160.7-122.4 107.3 7.2 -25.1 -7.1 82 76 A N E S+B 18 0A 75 -15,-2.1 -64,-0.2 -2,-0.5 -65,-0.1 -0.736 76.4 9.4 -90.8 94.8 9.6 -25.6 -10.0 83 77 A G S S- 0 0 17 -66,-1.4 -1,-0.2 -2,-1.1 -65,-0.2 0.852 84.7-135.5 105.1 62.3 9.1 -29.1 -11.3 84 78 A V - 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