==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 30-MAR-10 2XA8 . COMPND 2 MOLECULE: OMALIZUMAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.H.HUANG,F.H.A.HUNG,C.LIM,T.W.CHANG,C.MA . 437 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 39.4 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 47 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 5 6 2 4 9 1 0 2 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 1 3 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 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 0 199 0, 0.0 2,-0.7 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -19.0 78.3 27.7 27.5 2 2 H V + 0 0 42 24,-0.1 2,-0.4 22,-0.0 24,-0.2 -0.837 360.0 174.8 -95.8 112.4 75.5 25.6 25.9 3 3 H Q E -A 25 0A 95 22,-2.0 22,-2.5 -2,-0.7 2,-0.5 -0.919 23.7-152.7-118.6 145.8 74.4 27.2 22.6 4 4 H L E -Ab 24 112A 8 107,-0.5 109,-0.7 -2,-0.4 2,-0.4 -0.976 17.9-173.3-111.0 123.3 71.9 25.9 20.0 5 5 H V E -A 23 0A 67 18,-1.9 18,-3.7 -2,-0.5 2,-0.3 -0.977 7.7-154.1-121.7 130.3 72.7 27.3 16.5 6 6 H E E +A 22 0A 10 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.745 15.0 174.6-111.7 151.8 70.3 26.6 13.6 7 7 H S E +A 21 0A 67 14,-2.1 14,-2.4 -2,-0.3 108,-0.1 -0.929 49.1 68.5-140.5 164.8 70.6 26.5 9.8 8 8 H G + 0 0 46 -2,-0.3 11,-0.5 1,-0.3 -1,-0.1 0.533 62.4 136.9 102.9 9.5 68.4 25.6 6.9 9 9 H G + 0 0 36 -3,-0.1 2,-0.3 9,-0.1 -1,-0.3 -0.310 28.4 75.3 -78.8 168.1 66.0 28.6 7.0 10 10 H G E S-e 117 0B 17 106,-1.9 108,-3.0 -2,-0.1 2,-0.3 -0.942 76.7 -6.7 138.0-155.7 64.8 30.4 3.9 11 11 H L E -e 118 0B 51 -2,-0.3 2,-0.4 106,-0.2 108,-0.2 -0.653 53.2-178.9 -85.2 135.2 62.6 30.3 0.9 12 12 H V E -e 119 0B 23 106,-2.6 108,-2.1 -2,-0.3 6,-0.1 -1.000 27.6-120.1-136.3 138.2 60.7 27.1 0.1 13 13 H Q > - 0 0 132 -2,-0.4 3,-3.1 106,-0.2 73,-0.2 -0.551 42.3 -98.4 -74.1 134.7 58.4 26.3 -2.8 14 14 H P T 3 S+ 0 0 51 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.344 116.9 25.5 -51.6 129.3 54.8 25.4 -1.7 15 15 H G T 3 S+ 0 0 53 71,-2.9 70,-0.8 1,-0.3 72,-0.1 0.226 105.1 111.5 94.2 -12.0 54.8 21.5 -1.9 16 16 H G < - 0 0 24 -3,-3.1 70,-2.5 70,-0.2 2,-0.3 -0.019 65.3-110.6 -81.4-170.0 58.5 21.5 -1.3 17 17 H S - 0 0 84 67,-0.2 2,-0.3 68,-0.2 67,-0.3 -0.916 17.1-148.0-127.9 151.4 60.5 20.2 1.7 18 18 H L E - C 0 83A 8 65,-2.4 65,-1.7 -2,-0.3 2,-0.4 -0.878 3.2-163.7-118.2 154.5 62.6 21.9 4.4 19 19 H R E - C 0 82A 139 -11,-0.5 2,-0.3 -2,-0.3 63,-0.2 -0.849 13.1-178.3-139.5 97.9 65.6 20.6 6.3 20 20 H L E - C 0 81A 0 61,-2.6 61,-2.4 -2,-0.4 2,-0.4 -0.659 6.6-161.5 -93.7 152.9 66.6 22.4 9.4 21 21 H S E -AC 7 80A 19 -14,-2.4 -14,-2.1 -2,-0.3 2,-0.5 -0.997 9.9-157.2-134.3 142.9 69.6 21.6 11.6 22 22 H a E -AC 6 79A 0 57,-2.9 57,-1.8 -2,-0.4 2,-0.7 -0.965 12.9-157.4-117.3 111.1 70.4 22.5 15.2 23 23 H A E -AC 5 78A 36 -18,-3.7 -18,-1.9 -2,-0.5 2,-0.4 -0.815 11.8-146.4 -94.4 116.9 74.1 22.4 15.9 24 24 H V E -A 4 0A 9 53,-2.3 2,-0.3 -2,-0.7 -20,-0.2 -0.669 17.9-177.4 -89.1 132.8 74.7 21.9 19.6 25 25 H S E +A 3 0A 44 -22,-2.5 -22,-2.0 -2,-0.4 3,-0.1 -0.965 62.9 19.8-128.7 146.1 77.8 23.5 21.3 26 26 H G S S+ 0 0 56 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.647 118.6 58.7 76.5 16.7 79.1 23.3 24.9 27 27 H Y S S- 0 0 68 -24,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.924 83.8-111.4-174.1 140.9 77.1 20.2 25.5 28 28 H S >> - 0 0 60 -2,-0.3 3,-1.9 1,-0.1 4,-1.0 -0.733 17.7-142.8 -86.0 124.9 76.7 16.6 24.2 29 29 H I T 34 S+ 0 0 2 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.818 102.6 62.2 -52.5 -31.3 73.4 15.9 22.4 30 30 H T T 34 S+ 0 0 71 1,-0.2 -1,-0.3 44,-0.2 44,-0.0 0.770 98.4 54.0 -68.5 -27.1 73.5 12.5 24.0 31 31 H S T <4 S+ 0 0 61 -3,-1.9 -1,-0.2 3,-0.0 -2,-0.2 0.748 88.5 100.2 -77.7 -24.6 73.4 14.0 27.5 32 32 H G < - 0 0 0 -4,-1.0 3,-0.1 -3,-0.4 68,-0.1 -0.284 66.5-149.0 -58.5 143.6 70.3 15.9 26.6 33 33 H Y S S- 0 0 43 66,-0.5 21,-1.7 1,-0.3 2,-0.3 0.856 79.5 -1.7 -77.3 -35.9 67.1 14.3 27.8 34 34 H S E -F 53 0B 0 65,-0.4 65,-2.1 19,-0.2 2,-0.4 -0.995 57.4-155.7-156.1 143.1 65.1 15.6 24.9 35 35 H W E -FG 52 98B 2 17,-1.6 17,-2.3 -2,-0.3 2,-0.3 -0.990 25.8-176.9-127.1 142.8 65.6 17.8 21.8 36 36 H N E -FG 51 97B 0 61,-2.4 61,-1.7 -2,-0.4 2,-0.4 -0.878 28.0-140.1-139.7 159.9 62.7 19.6 20.2 37 37 H W E +FG 50 96B 0 13,-2.0 12,-2.2 -2,-0.3 13,-1.3 -0.991 22.9 176.2-120.9 135.3 61.4 21.8 17.4 38 38 H I E -FG 48 95B 0 57,-3.0 57,-3.8 -2,-0.4 2,-0.3 -0.999 10.6-160.0-138.0 131.4 58.9 24.5 18.1 39 39 H R E -FG 47 94B 8 8,-2.6 8,-2.4 -2,-0.4 2,-0.4 -0.764 8.9-160.5-117.2 163.2 57.6 27.0 15.6 40 40 H Q E -FG 46 93B 14 53,-1.9 53,-2.8 -2,-0.3 6,-0.2 -0.930 17.8-137.0-145.1 110.6 55.9 30.4 15.6 41 41 H A > - 0 0 44 4,-0.6 3,-1.3 -2,-0.4 51,-0.2 -0.452 32.2-112.0 -65.4 143.8 53.9 31.8 12.8 42 42 H P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.872 117.9 64.6 -46.6 -48.8 54.8 35.5 12.2 43 43 H G T 3 S- 0 0 68 1,-0.2 2,-0.2 2,-0.0 49,-0.0 0.890 119.2-101.4 -35.1 -55.8 51.3 36.4 13.4 44 44 H K S < S+ 0 0 126 -3,-1.3 -3,-0.3 1,-0.2 -1,-0.2 -0.691 71.1 105.2 145.1 169.7 52.2 35.0 16.8 45 45 H G - 0 0 23 -2,-0.2 -4,-0.6 -5,-0.1 2,-0.3 0.290 53.9-114.6 102.2 131.9 51.7 31.8 18.9 46 46 H L E -F 40 0B 15 277,-0.5 276,-0.4 -6,-0.2 2,-0.4 -0.781 26.8-171.8-100.3 143.9 54.1 29.0 19.7 47 47 H E E -F 39 0B 56 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.3 -0.945 16.4-143.9-140.9 118.0 53.5 25.4 18.6 48 48 H W E +F 38 0B 0 272,-0.7 -10,-0.2 -2,-0.4 3,-0.1 -0.572 26.6 166.0 -76.1 138.3 55.4 22.3 19.6 49 49 H V E + 0 0 0 -12,-2.2 12,-2.9 1,-0.4 2,-0.3 0.681 51.4 5.4-125.6 -32.0 55.9 19.9 16.7 50 50 H A E -FH 37 60B 0 -13,-1.3 -13,-2.0 10,-0.3 -1,-0.4 -0.998 47.0-173.2-161.5 152.7 58.4 17.2 17.4 51 51 H S E -FH 36 59B 0 8,-2.0 8,-2.3 -2,-0.3 2,-0.4 -0.996 9.2-158.7-147.8 148.2 60.8 15.7 20.0 52 52 H I E -FH 35 58B 10 -17,-2.3 -17,-1.6 -2,-0.3 6,-0.2 -0.981 18.4-145.7-128.5 124.0 63.5 13.1 20.1 53 53 H T E > -F 34 0B 14 4,-2.8 3,-2.3 -2,-0.4 -19,-0.2 -0.393 31.7-101.8 -84.1 163.7 64.5 11.4 23.5 54 54 H Y T 3 S+ 0 0 125 -21,-1.7 -20,-0.1 1,-0.3 -1,-0.1 0.705 124.0 53.4 -59.0 -22.5 68.0 10.3 24.5 55 55 H D T 3 S- 0 0 95 -22,-0.2 -1,-0.3 2,-0.1 -22,-0.0 0.588 124.8-102.8 -87.5 -12.3 67.1 6.7 23.7 56 56 H G < + 0 0 32 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.317 68.9 149.3 109.6 -6.5 65.9 7.7 20.2 57 57 H S - 0 0 68 -5,-0.1 -4,-2.8 1,-0.0 2,-0.3 -0.387 32.6-152.1 -59.5 132.7 62.1 7.7 20.7 58 58 H T E -H 52 0B 70 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.826 12.5-171.3-111.0 147.7 60.4 10.2 18.4 59 59 H N E -H 51 0B 48 -8,-2.3 -8,-2.0 -2,-0.3 2,-0.4 -1.000 3.2-164.7-140.4 141.7 57.2 12.1 19.0 60 60 H Y E -H 50 0B 57 -2,-0.3 -10,-0.3 -10,-0.2 -11,-0.1 -0.952 26.0-117.1-130.2 143.3 55.1 14.3 16.7 61 61 H N > - 0 0 17 -12,-2.9 3,-1.9 -2,-0.4 -12,-0.0 -0.646 25.1-139.1 -69.4 125.9 52.3 16.9 17.0 62 62 H P G > S+ 0 0 82 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.696 93.7 84.1 -61.9 -17.2 49.4 15.4 15.0 63 63 H S G 3 S+ 0 0 54 1,-0.3 -14,-0.1 2,-0.1 -2,-0.0 0.698 109.2 23.9 -59.3 -18.7 48.7 19.0 13.7 64 64 H V G X S+ 0 0 0 -3,-1.9 3,-1.4 -15,-0.1 -1,-0.3 -0.143 94.7 171.8-132.3 35.7 51.4 18.1 11.1 65 65 H K T < + 0 0 161 -3,-2.5 3,-0.3 1,-0.2 -2,-0.1 0.577 62.6 10.2 -22.9 -76.3 50.8 14.3 11.4 66 66 H G T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -4,-0.2 3,-0.0 -0.254 108.3 73.6-115.8 48.4 52.8 12.5 8.7 67 67 H R S < S+ 0 0 32 -3,-1.4 17,-1.2 -2,-0.1 2,-0.3 0.008 79.3 86.6-142.0 29.3 55.1 15.0 7.0 68 68 H I E -D 83 0A 11 -3,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.982 44.8-175.8-135.7 142.9 57.8 15.4 9.7 69 69 H T E -D 82 0A 67 13,-2.5 13,-1.1 -2,-0.3 2,-0.4 -0.855 4.5-169.1-143.3 108.3 61.0 13.7 10.7 70 70 H I E +D 81 0A 4 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.778 25.4 154.9 -88.0 136.6 63.1 14.6 13.7 71 71 H S E -D 80 0A 40 9,-1.4 9,-2.9 -2,-0.4 2,-0.3 -0.936 24.7-144.7-151.8 171.6 66.5 12.8 13.7 72 72 H R E -D 79 0A 57 -2,-0.3 2,-0.4 7,-0.3 7,-0.3 -0.967 11.8-149.8-144.7 161.4 70.0 13.3 15.1 73 73 H D E >>> -D 78 0A 48 5,-3.4 5,-1.6 -2,-0.3 3,-1.3 -0.848 10.7-170.7-132.4 96.7 73.6 12.7 14.4 74 74 H D T 345S+ 0 0 71 -2,-0.4 3,-0.2 1,-0.3 -45,-0.2 0.784 86.8 55.0 -60.1 -33.1 75.6 12.1 17.6 75 75 H S T 345S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.739 114.5 41.8 -73.1 -22.0 79.0 12.3 15.8 76 76 H K T <45S- 0 0 134 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.480 104.0-132.6 -98.4 -6.1 78.0 15.7 14.5 77 77 H N T <5 + 0 0 35 -4,-0.8 -53,-2.3 -3,-0.2 2,-0.3 0.914 69.4 116.9 52.7 45.1 76.4 16.8 17.8 78 78 H T E < -CD 23 73A 16 -5,-1.6 -5,-3.4 -55,-0.2 2,-0.3 -0.968 49.8-159.4-141.3 148.5 73.5 17.9 15.7 79 79 H F E -CD 22 72A 0 -57,-1.8 -57,-2.9 -2,-0.3 2,-0.3 -0.928 16.3-146.2-130.3 165.7 69.8 17.1 15.2 80 80 H Y E -CD 21 71A 26 -9,-2.9 -9,-1.4 -2,-0.3 2,-0.4 -0.855 12.8-149.8-134.7 153.0 67.5 17.8 12.3 81 81 H L E -CD 20 70A 0 -61,-2.4 -61,-2.6 -2,-0.3 2,-0.4 -0.997 18.6-179.1-122.6 131.2 64.0 18.7 11.3 82 82 H Q E +CD 19 69A 73 -13,-1.1 -13,-2.5 -2,-0.4 2,-0.3 -0.997 6.9 164.3-126.9 131.7 62.6 17.6 7.9 83 83 H M E -CD 18 68A 4 -65,-1.7 -65,-2.4 -2,-0.4 2,-0.3 -0.971 9.8-172.7-137.8 157.6 59.1 18.3 6.6 84 84 H N + 0 0 79 -17,-1.2 -67,-0.2 -2,-0.3 -68,-0.2 -0.828 61.0 50.8-140.7 176.6 57.7 18.0 3.1 85 85 H S S S- 0 0 59 -70,-0.8 -69,-0.2 -2,-0.3 -68,-0.2 0.903 81.3-161.1 56.0 42.2 54.5 18.9 1.2 86 86 H L - 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