==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 25-JUN-12 4FQH . COMPND 2 MOLECULE: ANTIBODY CR9114 HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.DREYFUS,I.A.WILSON . 870 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 344 39.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 86 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 3 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 . 3 0 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 0 0 PARALLEL BRIDGES PER LADDER . 9 5 14 8 5 16 3 2 1 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 . 0 1 6 4 3 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 2 H V 0 0 89 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 143.7 -9.0 -0.5 -12.0 2 3 H Q E -A 24 0A 134 22,-2.1 22,-2.3 24,-0.1 2,-0.5 -0.988 360.0-143.0-133.3 141.1 -9.5 -3.3 -9.5 3 4 H L E -Ab 23 111A 8 107,-0.5 109,-0.5 -2,-0.4 2,-0.5 -0.924 21.3-167.7-101.4 124.4 -10.2 -3.4 -5.8 4 5 H V E -A 22 0A 47 18,-3.4 18,-3.1 -2,-0.5 2,-0.2 -0.957 3.5-158.1-117.6 127.8 -8.4 -6.3 -4.1 5 6 H Q E -A 21 0A 10 -2,-0.5 16,-0.2 16,-0.2 14,-0.0 -0.648 23.3 -99.8-105.1 159.9 -9.2 -7.3 -0.5 6 7 H S - 0 0 30 14,-1.6 -1,-0.1 -2,-0.2 3,-0.1 -0.175 52.6 -82.6 -69.9 169.2 -7.2 -9.3 2.1 7 8 H G - 0 0 53 1,-0.2 -1,-0.1 107,-0.1 13,-0.1 -0.094 58.0 -65.6 -77.1 172.7 -7.9 -13.0 2.7 8 9 H A - 0 0 81 1,-0.1 2,-0.4 105,-0.1 108,-0.2 -0.118 51.6-150.5 -58.5 150.2 -10.5 -14.7 4.8 9 10 H E E -e 116 0B 55 106,-2.7 108,-2.8 -3,-0.1 2,-0.4 -0.959 13.4-161.3-126.9 139.9 -10.3 -14.2 8.6 10 11 H V E +e 117 0B 74 -2,-0.4 2,-0.3 106,-0.2 108,-0.2 -0.995 23.5 176.6-118.9 131.2 -11.3 -16.4 11.5 11 12 H K E -e 118 0B 53 106,-2.8 108,-2.4 -2,-0.4 3,-0.1 -0.963 27.6-120.8-137.4 148.5 -11.7 -14.5 14.8 12 13 H K > - 0 0 98 -2,-0.3 3,-1.8 106,-0.2 73,-0.2 -0.521 47.5 -87.1 -82.9 152.1 -12.7 -15.2 18.4 13 14 H P T 3 S+ 0 0 71 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.354 116.7 26.2 -57.8 139.5 -15.7 -13.4 20.0 14 15 H G T 3 S+ 0 0 55 71,-3.0 70,-0.7 1,-0.3 72,-0.1 0.041 100.5 112.7 92.7 -24.0 -14.5 -10.1 21.6 15 16 H S < - 0 0 38 -3,-1.8 70,-2.5 70,-0.2 2,-0.3 -0.071 64.4-116.6 -72.8 177.4 -11.6 -9.7 19.2 16 17 H S - 0 0 52 67,-0.2 2,-0.4 68,-0.2 67,-0.2 -0.871 17.9-155.0-113.8 148.7 -11.0 -7.2 16.4 17 18 H V E - C 0 82A 0 65,-2.7 65,-2.2 -2,-0.3 2,-0.5 -0.981 2.1-163.4-123.4 138.7 -10.7 -7.7 12.6 18 19 H K E - C 0 81A 98 -2,-0.4 2,-0.4 63,-0.2 63,-0.2 -0.939 9.0-168.5-120.9 110.1 -8.9 -5.4 10.1 19 20 H V E - C 0 80A 0 61,-2.6 61,-2.3 -2,-0.5 2,-0.3 -0.799 10.2-147.5 -99.1 136.4 -9.8 -6.0 6.5 20 21 H S E - C 0 79A 37 -2,-0.4 -14,-1.6 59,-0.2 2,-0.4 -0.753 11.2-168.6-107.2 149.6 -7.7 -4.4 3.8 21 22 H a E -AC 5 78A 2 57,-2.4 57,-2.6 -2,-0.3 2,-0.4 -0.959 7.4-173.1-138.7 117.8 -8.7 -3.0 0.3 22 23 H K E -AC 4 77A 113 -18,-3.1 -18,-3.4 -2,-0.4 2,-0.8 -0.900 20.4-138.7-112.4 139.3 -6.1 -2.1 -2.2 23 24 H S E -A 3 0A 16 53,-1.5 3,-0.4 -2,-0.4 2,-0.3 -0.874 22.9-164.7 -91.3 109.8 -6.8 -0.4 -5.6 24 25 H S E +A 2 0A 46 -22,-2.3 -22,-2.1 -2,-0.8 52,-0.0 -0.733 69.7 41.2 -89.6 146.8 -4.5 -2.1 -8.1 25 26 H G S S- 0 0 75 -2,-0.3 -1,-0.2 -24,-0.2 2,-0.1 0.767 126.3 -28.8 85.2 28.3 -4.0 -0.3 -11.4 26 27 H G S S- 0 0 43 -3,-0.4 -24,-0.1 -24,-0.1 0, 0.0 -0.216 90.8 -43.1 115.5 161.0 -3.8 3.2 -9.9 27 28 H T - 0 0 65 1,-0.1 3,-0.1 -2,-0.1 -3,-0.1 -0.147 27.5-173.0 -62.7 145.5 -4.9 5.3 -7.0 28 29 H S > + 0 0 2 -5,-0.1 3,-1.2 1,-0.1 -1,-0.1 0.114 60.9 105.3-118.8 14.3 -8.4 5.3 -5.6 29 30 H N T 3 S+ 0 0 31 1,-0.2 24,-0.4 44,-0.1 -1,-0.1 0.725 70.1 62.2 -68.1 -24.9 -7.7 8.2 -3.2 30 31 H N T 3 S+ 0 0 65 22,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.382 102.4 60.1 -83.8 4.0 -9.6 10.7 -5.3 31 32 H Y S < S- 0 0 77 -3,-1.2 70,-0.3 70,-0.1 68,-0.1 -0.954 89.5-100.0-132.5 152.5 -12.9 8.8 -4.8 32 33 H A - 0 0 0 68,-2.3 66,-2.7 -2,-0.3 2,-0.4 -0.320 32.8-157.2 -64.9 148.1 -15.1 7.8 -1.9 33 34 H I E -FG 50 97B 14 17,-2.5 17,-2.5 64,-0.2 2,-0.3 -0.999 7.1-167.0-129.3 132.9 -14.8 4.2 -0.6 34 35 H S E -FG 49 96B 0 62,-2.8 62,-2.1 -2,-0.4 2,-0.5 -0.862 15.2-139.9-115.1 153.9 -17.5 2.4 1.3 35 36 H W E +FG 48 95B 0 13,-2.5 12,-3.0 -2,-0.3 13,-1.1 -0.964 24.3 178.6-110.3 128.9 -17.5 -0.9 3.3 36 37 H V E -FG 46 94B 0 58,-2.3 58,-3.7 -2,-0.5 2,-0.3 -0.985 7.9-161.2-131.3 136.0 -20.6 -3.0 2.9 37 38 H R E -FG 45 93B 20 8,-2.7 8,-2.2 -2,-0.4 2,-0.3 -0.824 7.7-158.5-120.2 163.7 -21.2 -6.4 4.6 38 39 H Q E -FG 44 92B 26 54,-1.9 54,-2.1 -2,-0.3 6,-0.1 -0.925 10.6-149.9-142.9 107.2 -23.6 -9.3 3.9 39 40 H A > - 0 0 18 4,-0.5 3,-3.0 -2,-0.3 52,-0.2 -0.550 51.2 -74.1 -75.1 147.6 -24.5 -11.8 6.6 40 41 H P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.106 119.1 1.6 -52.6 127.4 -25.2 -15.2 5.2 41 42 H G T 3 S+ 0 0 68 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.516 115.4 104.9 75.4 4.4 -28.6 -15.3 3.5 42 43 H Q < - 0 0 132 -3,-3.0 -1,-0.3 1,-0.1 2,-0.1 -0.542 70.0 -98.9-110.3 177.8 -29.1 -11.6 4.2 43 44 H G - 0 0 19 -2,-0.2 -4,-0.5 1,-0.2 -1,-0.1 -0.278 50.3 -67.8 -91.7 177.0 -28.9 -8.4 2.2 44 45 H L E -F 38 0B 9 280,-0.2 2,-0.4 -6,-0.1 279,-0.2 -0.391 47.6-166.0 -65.8 138.4 -26.3 -5.7 1.7 45 46 H D E -F 37 0B 48 -8,-2.2 -8,-2.7 -2,-0.1 2,-0.3 -0.957 14.9-135.9-134.4 112.6 -25.6 -3.6 4.8 46 47 H W E +F 36 0B 6 -2,-0.4 -10,-0.2 275,-0.2 3,-0.1 -0.490 20.9 179.4 -69.6 128.0 -23.7 -0.3 4.7 47 48 H M E - 0 0 0 -12,-3.0 13,-2.5 1,-0.4 2,-0.3 0.836 54.0 -70.8 -94.2 -39.3 -21.1 0.0 7.4 48 49 H G E -FH 35 59B 0 -13,-1.1 -13,-2.5 11,-0.3 -1,-0.4 -0.940 42.9-123.9 162.7 178.7 -19.6 3.4 6.6 49 50 H G E -FH 34 58B 0 9,-2.6 9,-2.0 -2,-0.3 2,-0.3 -0.902 4.5-147.2-145.0 168.3 -17.4 5.2 4.2 50 51 H I E -FH 33 57B 16 -17,-2.5 -17,-2.5 -2,-0.3 7,-0.2 -0.995 5.0-171.9-139.5 141.5 -14.3 7.4 3.8 51 52 H S E >>> - H 0 56B 1 5,-3.1 5,-1.8 -2,-0.3 3,-1.2 -0.804 7.5-171.4-131.6 95.2 -13.5 10.2 1.4 52 52AH P T 345S+ 0 0 26 0, 0.0 -22,-0.1 0, 0.0 -1,-0.1 0.726 79.2 66.8 -65.5 -24.4 -9.8 11.1 1.8 53 53 H I T 345S+ 0 0 82 -24,-0.4 -23,-0.1 1,-0.2 -24,-0.0 0.917 113.9 31.7 -61.5 -38.8 -9.9 14.1 -0.3 54 54 H F T <45S- 0 0 100 -3,-1.2 -1,-0.2 47,-0.2 3,-0.1 0.470 106.7-126.1 -92.0 -4.3 -12.2 15.8 2.2 55 55 H G T <5 + 0 0 69 -4,-0.7 2,-0.3 1,-0.2 -2,-0.1 0.889 65.0 142.1 58.9 38.2 -10.6 13.9 5.1 56 56 H S E < -H 51 0B 43 -5,-1.8 -5,-3.1 2,-0.0 2,-0.3 -0.878 33.6-175.4-117.8 146.0 -14.1 12.8 6.0 57 57 H T E -H 50 0B 68 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.986 3.4-169.0-135.2 145.5 -15.6 9.5 7.3 58 58 H A E -H 49 0B 20 -9,-2.0 -9,-2.6 -2,-0.3 2,-0.3 -0.969 4.6-161.3-135.7 151.3 -19.2 8.5 7.9 59 59 H Y E -H 48 0B 43 -2,-0.3 -11,-0.3 -11,-0.3 2,-0.1 -0.977 25.7-110.3-134.7 143.7 -20.7 5.5 9.7 60 60 H A >> - 0 0 15 -13,-2.5 3,-1.4 -2,-0.3 4,-0.8 -0.468 36.4-120.2 -63.5 144.3 -24.0 3.7 9.8 61 61 H Q G >4 S+ 0 0 158 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.903 109.4 59.9 -54.6 -45.7 -25.6 4.3 13.2 62 62 H K G 34 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 -15,-0.1 0.621 112.7 38.1 -62.5 -16.3 -25.8 0.6 14.1 63 63 H F G X> S+ 0 0 3 -3,-1.4 3,-2.2 -16,-0.2 4,-1.7 0.426 83.6 131.8-114.1 -5.6 -21.9 0.3 13.9 64 64 H Q T << S+ 0 0 107 -3,-1.2 4,-0.1 -4,-0.8 -3,-0.0 -0.248 77.6 15.5 -50.5 127.1 -21.0 3.7 15.4 65 65 H G T 34 S+ 0 0 79 2,-0.4 -1,-0.3 1,-0.0 3,-0.1 0.543 123.5 63.5 83.1 5.8 -18.4 3.3 18.1 66 66 H R T <4 S+ 0 0 57 -3,-2.2 17,-2.0 1,-0.2 2,-0.4 0.580 92.3 58.2-129.0 -28.6 -17.5 -0.2 16.9 67 67 H V E < -D 82 0A 6 -4,-1.7 2,-0.4 15,-0.2 -2,-0.4 -0.839 56.3-168.1-110.2 144.2 -16.1 0.2 13.3 68 68 H T E -D 81 0A 66 13,-2.6 13,-2.9 -2,-0.4 2,-0.4 -0.987 3.9-166.3-130.6 119.5 -13.2 2.3 12.2 69 69 H I E +D 80 0A 5 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.893 17.5 168.8-106.2 135.4 -12.6 3.0 8.5 70 70 H S E -D 79 0A 40 9,-1.9 9,-2.9 -2,-0.4 2,-0.4 -0.918 23.5-145.6-141.4 166.1 -9.3 4.4 7.5 71 71 H A E -D 78 0A 28 -2,-0.3 2,-1.2 7,-0.3 7,-0.3 -0.987 10.7-147.2-138.8 126.8 -7.2 5.1 4.4 72 72 H D E >> -D 77 0A 59 5,-3.2 5,-1.5 -2,-0.4 4,-1.2 -0.817 18.5-170.5 -87.1 97.3 -3.4 4.9 4.0 73 73 H I T 45S+ 0 0 105 -2,-1.2 -1,-0.2 1,-0.2 -44,-0.1 0.815 81.6 54.0 -61.9 -30.8 -3.2 7.7 1.4 74 74 H F T 45S+ 0 0 185 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.927 116.5 34.0 -69.5 -44.4 0.4 6.9 0.8 75 75 H S T 45S- 0 0 62 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.493 104.4-123.4 -90.2 -3.8 -0.1 3.2 -0.0 76 76 H N T <5 + 0 0 52 -4,-1.2 -53,-1.5 1,-0.2 2,-0.4 0.905 67.0 131.7 58.7 45.5 -3.5 3.6 -1.7 77 77 H T E < -CD 22 72A 19 -5,-1.5 -5,-3.2 -55,-0.2 2,-0.3 -0.986 42.4-157.6-128.4 136.6 -5.2 1.2 0.7 78 78 H A E -CD 21 71A 4 -57,-2.6 -57,-2.4 -2,-0.4 2,-0.3 -0.783 14.2-160.6-106.5 157.6 -8.4 1.5 2.7 79 79 H Y E -CD 20 70A 49 -9,-2.9 -9,-1.9 -2,-0.3 2,-0.4 -0.965 14.0-156.3-137.5 153.5 -9.1 -0.5 5.8 80 80 H M E -CD 19 69A 0 -61,-2.3 -61,-2.6 -2,-0.3 2,-0.5 -0.987 11.5-170.7-130.7 123.4 -12.1 -1.5 7.9 81 81 H E E -CD 18 68A 58 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.5 -0.966 1.4-173.5-116.3 124.7 -11.6 -2.4 11.5 82 82 H L E -CD 17 67A 0 -65,-2.2 -65,-2.7 -2,-0.5 3,-0.2 -0.968 10.4-163.7-119.3 131.2 -14.5 -3.9 13.4 83 82AH N + 0 0 35 -17,-2.0 -67,-0.2 -2,-0.5 -68,-0.2 -0.566 60.0 32.3-111.5 171.2 -14.1 -4.5 17.2 84 82BH S S S- 0 0 73 -70,-0.7 -1,-0.2 -2,-0.2 -69,-0.2 0.904 82.7-154.9 49.4 52.6 -15.9 -6.5 19.9 85 82CH L + 0 0 1 -70,-2.5 -71,-3.0 -73,-0.2 2,-0.2 -0.287 20.3 175.9 -66.2 135.6 -16.8 -9.2 17.4 86 83 H T > - 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