==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 27-MAY-03 1PG7 . COMPND 2 MOLECULE: HUMANIZED ANTIBODY D3H44; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR C.EIGENBROT,Y.G.MENG,R.KRISHNAMURTHY,M.T.LIPARI,L.PRESTA, . 1712 10 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1143 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 695 40.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 207 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 6 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 RESIDUES PER ALPHA HELIX . 4 0 4 4 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 . 15 16 22 12 16 32 6 0 5 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 . 0 1 15 8 0 6 2 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 H E 0 0 125 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 116.7 11.2 26.4 9.8 2 2 H V + 0 0 24 24,-0.1 2,-0.3 22,-0.1 24,-0.2 -0.523 360.0 174.1 -75.6 136.8 9.9 25.3 6.5 3 3 H Q E -A 25 0A 88 22,-2.4 22,-1.7 -2,-0.2 2,-0.4 -0.998 18.3-166.0-146.2 143.8 6.4 23.8 6.3 4 4 H L E -A 24 0A 7 103,-0.4 105,-0.6 -2,-0.3 2,-0.5 -0.990 8.9-176.2-131.9 119.9 4.1 22.6 3.5 5 5 H V E -A 23 0A 63 18,-2.3 18,-3.1 -2,-0.4 2,-0.3 -0.974 7.2-163.6-121.3 121.0 0.4 22.0 4.3 6 6 H E E +A 22 0A 5 -2,-0.5 2,-0.3 16,-0.3 16,-0.2 -0.722 13.1 165.9-104.7 151.9 -1.9 20.6 1.6 7 7 H S E +A 21 0A 61 14,-1.7 14,-2.7 -2,-0.3 104,-0.1 -0.937 41.8 81.4-150.4 169.7 -5.7 20.5 1.5 8 8 H G + 0 0 48 1,-0.3 11,-0.4 -2,-0.3 -1,-0.1 0.267 59.6 135.4 110.9 -10.9 -8.4 19.9 -1.1 9 9 H G + 0 0 33 12,-0.1 -1,-0.3 9,-0.1 2,-0.3 -0.236 25.3 99.6 -67.0 161.3 -8.2 16.1 -1.0 10 10 H G E -d 113 0B 33 102,-0.9 104,-1.4 -3,-0.1 2,-0.3 -0.912 69.3 -27.7 151.7-176.2 -11.4 14.1 -0.9 11 11 H L E +d 114 0B 99 -2,-0.3 2,-0.4 102,-0.2 104,-0.2 -0.492 54.3 178.9 -72.3 127.9 -14.0 12.0 -2.8 12 12 H V E -d 115 0B 27 102,-2.6 104,-2.0 -2,-0.3 3,-0.1 -0.997 26.6-122.0-135.2 138.3 -14.4 12.8 -6.6 13 13 H Q > - 0 0 123 -2,-0.4 3,-2.7 102,-0.2 73,-0.2 -0.434 44.6 -91.3 -73.4 147.5 -16.6 11.3 -9.3 14 14 H P T 3 S+ 0 0 70 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.361 118.7 27.4 -61.0 132.1 -14.9 9.9 -12.4 15 15 H G T 3 S+ 0 0 52 71,-2.5 70,-0.7 1,-0.3 72,-0.1 0.213 103.0 112.3 99.6 -15.3 -14.7 12.7 -15.0 16 16 H G < - 0 0 22 -3,-2.7 70,-2.2 70,-0.2 2,-0.3 0.069 64.0-110.6 -76.2-168.0 -14.7 15.3 -12.2 17 17 H S - 0 0 63 67,-0.2 2,-0.4 68,-0.2 67,-0.2 -0.910 13.8-147.9-129.6 155.9 -11.9 17.6 -11.2 18 18 H L E - B 0 83A 5 65,-2.3 65,-1.9 -2,-0.3 2,-0.5 -0.952 5.0-167.7-123.6 141.1 -9.6 18.1 -8.2 19 19 H R E - B 0 82A 136 -11,-0.4 2,-0.3 -2,-0.4 63,-0.2 -0.910 13.8-178.4-130.4 100.3 -8.2 21.3 -6.8 20 20 H L E - B 0 81A 0 61,-2.9 61,-2.0 -2,-0.5 2,-0.3 -0.758 7.7-158.7-100.3 148.0 -5.4 20.8 -4.3 21 21 H S E -AB 7 80A 27 -14,-2.7 -14,-1.7 -2,-0.3 2,-0.4 -0.916 7.4-156.9-125.1 153.3 -3.6 23.7 -2.5 22 22 H a E -AB 6 79A 0 57,-2.2 57,-1.9 -2,-0.3 2,-0.6 -0.884 8.9-157.8-133.7 100.4 -0.2 23.8 -0.8 23 23 H A E -AB 5 78A 47 -18,-3.1 -18,-2.3 -2,-0.4 2,-0.3 -0.703 14.9-158.9 -82.3 117.4 0.2 26.5 1.9 24 24 H A E +A 4 0A 14 53,-2.4 2,-0.3 -2,-0.6 -20,-0.2 -0.680 13.8 176.4 -96.6 152.6 3.9 27.2 2.4 25 25 H S E +A 3 0A 53 -22,-1.7 -22,-2.4 -2,-0.3 3,-0.1 -0.981 59.2 37.6-152.0 147.4 5.5 28.8 5.5 26 26 H G S S+ 0 0 54 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.505 116.9 33.0 90.5 5.9 9.1 29.6 6.4 27 27 H F S S- 0 0 23 -24,-0.1 2,-0.6 -26,-0.1 -1,-0.1 -0.951 86.7 -98.6-173.9 171.2 10.1 30.6 2.9 28 28 H N > - 0 0 86 -2,-0.3 3,-1.9 1,-0.1 4,-0.1 -0.943 14.3-154.5-112.1 119.1 8.7 32.2 -0.3 29 29 H I G > S+ 0 0 7 -2,-0.6 3,-2.1 1,-0.3 -1,-0.1 0.798 90.5 78.0 -58.0 -26.4 7.5 29.9 -3.0 30 30 H K G 3 S+ 0 0 137 1,-0.3 -1,-0.3 44,-0.1 44,-0.1 0.803 99.1 40.6 -51.9 -33.8 8.2 32.8 -5.4 31 31 H E G < S+ 0 0 121 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.226 108.8 67.7-105.8 17.5 11.9 31.9 -5.2 32 32 H Y S < S- 0 0 67 -3,-2.1 2,-0.5 -4,-0.1 68,-0.1 -0.955 80.7-110.3-136.3 153.6 11.8 28.1 -5.3 33 33 H Y E -E 99 0B 10 66,-0.7 66,-2.7 -2,-0.3 2,-0.4 -0.720 38.3-161.4 -79.7 124.9 11.0 25.3 -7.8 34 34 H M E -EF 98 51B 4 17,-1.4 17,-1.8 -2,-0.5 2,-0.3 -0.917 9.3-174.6-111.5 134.3 7.8 23.7 -6.5 35 35 H H E -EF 97 50B 1 62,-3.0 62,-2.5 -2,-0.4 2,-0.4 -0.773 20.3-137.6-123.0 169.2 6.7 20.2 -7.7 36 36 H W E +EF 96 49B 1 13,-2.0 12,-2.5 -2,-0.3 13,-1.2 -0.997 23.8 177.7-128.4 128.6 3.7 17.8 -7.3 37 37 H V E -EF 95 47B 0 58,-2.9 58,-4.1 -2,-0.4 2,-0.3 -0.938 6.1-167.5-127.8 151.5 4.3 14.1 -6.7 38 38 H R E -EF 94 46B 4 8,-2.4 8,-2.1 -2,-0.3 2,-0.3 -0.953 13.5-160.3-141.7 164.2 1.7 11.3 -6.1 39 39 H Q E -EF 93 45B 27 54,-2.5 54,-2.7 -2,-0.3 6,-0.1 -0.919 14.5-144.6-149.4 113.3 1.4 7.8 -5.0 40 40 H A > - 0 0 8 4,-0.5 3,-2.5 -2,-0.3 52,-0.2 -0.430 52.2 -68.5 -72.7 154.0 -1.5 5.5 -5.7 41 41 H P T 3 S- 0 0 75 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.164 118.2 -6.7 -47.1 123.1 -2.5 2.9 -2.9 42 42 H G T 3 S+ 0 0 94 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.598 115.3 107.7 63.9 15.1 0.3 0.3 -2.6 43 43 H K S < S- 0 0 134 -3,-2.5 -1,-0.2 1,-0.2 2,-0.0 -0.493 70.1 -88.3-115.7-177.3 2.2 1.6 -5.6 44 44 H G - 0 0 24 -2,-0.2 -4,-0.5 1,-0.1 2,-0.2 -0.115 51.9 -79.3 -80.6-175.9 5.4 3.5 -6.4 45 45 H L E -F 39 0B 12 484,-0.4 483,-0.4 -6,-0.1 2,-0.4 -0.594 40.3-164.6 -88.1 149.1 6.0 7.3 -6.7 46 46 H E E -F 38 0B 40 -8,-2.1 -8,-2.4 -2,-0.2 2,-0.4 -0.998 16.3-133.0-135.6 139.8 5.1 9.3 -9.8 47 47 H W E +F 37 0B 3 479,-0.5 -10,-0.2 -2,-0.4 14,-0.1 -0.735 20.7 178.7 -92.4 131.5 6.2 12.8 -10.8 48 48 H V E - 0 0 0 -12,-2.5 13,-2.2 -2,-0.4 2,-0.3 0.846 50.7 -76.8 -95.7 -53.7 3.3 15.1 -11.9 49 49 H G E -FG 36 60B 0 -13,-1.2 -13,-2.0 11,-0.2 -1,-0.3 -0.986 34.9-115.6 173.3-176.5 5.1 18.3 -12.7 50 50 H L E -FG 35 59B 0 9,-2.1 9,-1.6 -2,-0.3 2,-0.4 -0.900 10.9-135.6-141.5 169.0 6.9 21.5 -11.6 51 51 H I E -FG 34 58B 25 -17,-1.8 -17,-1.4 -2,-0.3 7,-0.2 -0.995 24.3-137.7-131.2 119.2 6.6 25.3 -11.7 52 52 H D > - 0 0 4 5,-2.6 4,-1.3 -2,-0.4 3,-0.2 -0.666 3.9-155.3 -81.3 130.1 9.8 27.3 -12.4 53 52AH P T 4 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -20,-0.1 0.704 85.8 68.7 -74.7 -25.3 10.4 30.5 -10.3 54 53 H E T 4 S- 0 0 65 1,-0.1 -24,-0.0 3,-0.0 -21,-0.0 0.857 128.3 -11.3 -64.6 -42.5 12.6 32.1 -13.0 55 54 H Q T 4 S- 0 0 80 -3,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.433 95.6 -98.6-141.0 -4.9 9.9 32.8 -15.6 56 55 H G < + 0 0 43 -4,-1.3 -2,-0.0 1,-0.2 0, 0.0 0.513 61.0 163.6 96.8 4.8 6.7 30.9 -14.6 57 56 H N - 0 0 53 -6,-0.1 -5,-2.6 1,-0.0 2,-0.4 -0.195 23.7-154.6 -56.8 147.5 7.2 27.9 -16.9 58 57 H T E -G 51 0B 56 -7,-0.2 2,-0.4 2,-0.0 -7,-0.2 -0.999 10.6-173.4-129.3 123.9 5.1 24.8 -16.0 59 58 H I E +G 50 0B 26 -9,-1.6 -9,-2.1 -2,-0.4 2,-0.3 -0.980 6.9 179.6-120.3 133.5 6.4 21.4 -17.1 60 59 H Y E -G 49 0B 60 -2,-0.4 -11,-0.2 -11,-0.2 -12,-0.1 -0.876 39.7 -91.8-130.8 164.1 4.3 18.2 -16.7 61 60 H D > - 0 0 6 -13,-2.2 3,-1.8 -2,-0.3 4,-0.1 -0.623 37.2-131.8 -71.4 129.4 4.6 14.5 -17.4 62 61 H P G > S+ 0 0 86 0, 0.0 3,-3.3 0, 0.0 -1,-0.2 0.821 100.4 79.5 -52.7 -31.5 3.2 14.1 -21.0 63 62 H K G 3 S+ 0 0 97 1,-0.3 -15,-0.0 2,-0.1 -2,-0.0 0.776 86.8 57.7 -45.0 -36.5 1.1 11.2 -19.5 64 63 H F G X S- 0 0 5 -3,-1.8 3,-2.6 -16,-0.2 -1,-0.3 0.514 92.4-154.6 -78.3 -3.0 -1.3 13.7 -18.1 65 64 H Q T < - 0 0 123 -3,-3.3 -2,-0.1 1,-0.3 -4,-0.0 0.797 66.5 -45.3 23.1 72.6 -2.0 15.2 -21.6 66 65 H D T 3 S+ 0 0 154 1,-0.1 -1,-0.3 2,-0.1 -3,-0.1 0.459 114.0 108.8 61.2 5.6 -3.0 18.8 -20.6 67 66 H R < + 0 0 13 -3,-2.6 17,-1.4 16,-0.1 2,-0.4 0.764 65.2 73.4 -79.0 -25.9 -5.3 17.6 -17.8 68 67 H A E -C 83 0A 4 -4,-0.2 2,-0.5 15,-0.2 15,-0.2 -0.783 56.8-178.4 -96.5 132.6 -2.9 18.9 -15.1 69 68 H T E -C 82 0A 70 13,-2.7 13,-2.3 -2,-0.4 2,-0.5 -0.979 6.2-166.6-130.9 114.5 -2.4 22.6 -14.3 70 69 H I E +C 81 0A 6 -2,-0.5 2,-0.2 11,-0.2 11,-0.2 -0.882 21.0 156.5-101.6 132.6 0.1 23.7 -11.7 71 70 H S E -C 80 0A 49 9,-1.7 9,-3.4 -2,-0.5 2,-0.3 -0.834 22.4-149.7-142.9-178.6 -0.1 27.3 -10.5 72 71 H A E -C 79 0A 41 7,-0.3 2,-0.5 -2,-0.2 7,-0.2 -0.987 11.3-149.3-160.7 148.1 0.8 29.6 -7.6 73 72 H D E >>> -C 78 0A 53 5,-3.0 5,-2.0 -2,-0.3 4,-0.8 -0.949 8.0-167.9-121.8 106.7 -0.2 32.7 -5.7 74 73 H N T 345S+ 0 0 74 -2,-0.5 3,-0.2 1,-0.2 -1,-0.1 0.836 87.2 60.6 -64.1 -31.1 2.7 34.5 -4.2 75 74 H S T 345S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.774 116.0 33.7 -68.3 -24.3 0.4 36.7 -2.1 76 75 H K T <45S- 0 0 142 -3,-0.8 -1,-0.2 2,-0.2 -52,-0.2 0.462 103.9-132.1-105.5 -4.6 -0.9 33.6 -0.4 77 76 H N T <5 + 0 0 26 -4,-0.8 -53,-2.4 1,-0.2 2,-0.4 0.871 63.9 135.5 52.4 40.5 2.4 31.8 -0.6 78 77 H T E < -BC 23 73A 13 -5,-2.0 -5,-3.0 -55,-0.2 2,-0.3 -0.933 46.2-154.5-123.4 141.6 0.4 28.9 -1.9 79 78 H A E -BC 22 72A 0 -57,-1.9 -57,-2.2 -2,-0.4 2,-0.3 -0.817 17.5-152.3-110.1 150.7 1.0 26.5 -4.8 80 79 H Y E -BC 21 71A 26 -9,-3.4 -9,-1.7 -2,-0.3 2,-0.4 -0.931 14.1-162.5-129.8 152.2 -1.9 24.7 -6.6 81 80 H L E -BC 20 70A 0 -61,-2.0 -61,-2.9 -2,-0.3 2,-0.4 -0.990 13.5-176.9-131.4 121.3 -2.5 21.5 -8.5 82 81 H Q E +BC 19 69A 69 -13,-2.3 -13,-2.7 -2,-0.4 2,-0.4 -0.960 1.6 179.8-119.5 138.4 -5.6 21.2 -10.7 83 82 H M E -BC 18 68A 0 -65,-1.9 -65,-2.3 -2,-0.4 3,-0.2 -0.983 6.0-164.8-142.8 128.9 -6.5 18.0 -12.6 84 82AH N + 0 0 51 -17,-1.4 -67,-0.2 -2,-0.4 -68,-0.2 -0.517 65.0 30.4-105.6 173.4 -9.6 17.4 -14.8 85 82BH S S S- 0 0 65 -70,-0.7 -1,-0.2 -2,-0.2 -69,-0.2 0.878 82.0-157.7 43.6 52.5 -11.3 14.3 -16.3 86 82CH L - 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