==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 26-JAN-11 3QHZ . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTIBODY DEL2D1, FAB HEAVY CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.C.EKIERT,I.A.WILSON . 862 8 9 7 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 548 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 340 39.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 6 0.7 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 . 76 8.8 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 . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 2 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 . 1 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 . 10 7 13 5 6 13 6 2 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 . 2 0 8 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 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 X 0 0 164 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 142.5 -29.2 -23.4 46.6 2 2 H V + 0 0 81 24,-0.2 2,-0.3 22,-0.1 24,-0.2 -0.489 360.0 164.1 -70.7 139.3 -25.8 -22.5 45.1 3 3 H N E -A 25 0A 65 22,-2.2 22,-1.8 -2,-0.2 2,-0.3 -0.991 27.6-179.8-159.6 159.8 -22.7 -23.6 46.9 4 4 H L E +A 24 0A 13 -2,-0.3 113,-0.5 20,-0.2 2,-0.4 -0.937 24.5 169.2-154.9 117.6 -19.0 -24.1 46.6 5 5 H R E -A 23 0A 130 18,-2.3 18,-2.7 -2,-0.3 2,-0.3 -0.989 26.1-139.3-150.8 138.5 -17.1 -25.5 49.6 6 6 H E E +A 22 0A 4 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.662 22.7 177.3 -92.5 144.9 -13.7 -26.8 50.6 7 7 H S E +A 21 0A 59 14,-2.4 14,-2.8 -2,-0.3 112,-0.1 -0.985 20.7 102.5-143.4 157.1 -13.2 -29.8 52.9 8 8 H G - 0 0 39 -2,-0.3 12,-0.1 12,-0.2 10,-0.0 -0.909 68.5 -31.7 155.1-179.9 -10.2 -31.7 54.2 9 9 H P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 113,-0.0 -0.313 36.3-152.5 -67.1 142.3 -7.9 -32.1 57.2 10 10 H A S S+ 0 0 17 1,-0.2 112,-2.6 111,-0.1 2,-0.4 0.636 83.5 42.2 -83.8 -17.2 -7.2 -29.1 59.4 11 11 H L E +d 122 0B 43 110,-0.2 2,-0.3 197,-0.1 112,-0.2 -0.997 60.9 173.0-137.3 133.7 -3.9 -30.5 60.4 12 12 H V E -d 123 0B 12 110,-2.2 112,-1.9 -2,-0.4 6,-0.1 -0.995 29.1-121.9-137.9 142.7 -1.1 -32.3 58.5 13 13 H K > - 0 0 99 -2,-0.3 3,-1.9 110,-0.2 77,-0.3 -0.555 42.8 -86.5 -82.9 151.0 2.4 -33.3 59.6 14 14 H P T 3 S+ 0 0 41 0, 0.0 77,-0.2 0, 0.0 -1,-0.1 -0.247 114.0 18.1 -55.9 142.4 5.5 -32.0 57.9 15 15 H T T 3 S+ 0 0 99 75,-3.1 74,-0.7 1,-0.3 76,-0.1 0.127 103.7 111.9 78.4 -13.4 6.5 -34.1 54.8 16 16 H Q S < S- 0 0 110 -3,-1.9 74,-2.5 74,-0.2 2,-0.4 -0.244 71.9 -98.9 -85.7 174.7 3.1 -35.7 54.6 17 17 H T - 0 0 74 72,-0.2 2,-0.5 71,-0.2 71,-0.2 -0.786 24.1-150.3-103.4 136.8 0.5 -35.2 51.9 18 18 H L E - B 0 87A 1 69,-2.9 69,-2.9 -2,-0.4 2,-0.5 -0.890 9.9-170.4-102.2 131.1 -2.5 -32.9 52.0 19 19 H T E - B 0 86A 63 -2,-0.5 2,-0.4 67,-0.2 67,-0.2 -0.975 6.4-178.6-124.2 117.3 -5.7 -33.7 50.1 20 20 H L E - B 0 85A 0 65,-2.6 65,-2.6 -2,-0.5 2,-0.4 -0.906 10.8-152.8-113.3 146.5 -8.5 -31.1 49.9 21 21 H T E -AB 7 84A 30 -14,-2.8 -14,-2.4 -2,-0.4 2,-0.5 -0.951 2.9-156.6-123.0 134.5 -11.8 -31.5 48.2 22 22 H a E -AB 6 83A 0 61,-2.9 61,-2.1 -2,-0.4 2,-0.4 -0.959 15.3-170.8-109.2 121.3 -14.0 -28.8 46.6 23 23 H S E +AB 5 82A 37 -18,-2.7 -18,-2.3 -2,-0.5 2,-0.3 -0.915 6.6 177.4-113.7 137.7 -17.7 -29.7 46.3 24 24 H F E +A 4 0A 14 57,-1.9 2,-0.3 -2,-0.4 -20,-0.2 -0.945 8.2 154.1-138.4 162.3 -20.3 -27.7 44.4 25 25 H S E +A 3 0A 52 -22,-1.8 -22,-2.2 -2,-0.3 -2,-0.0 -0.971 44.6 64.5-166.6 169.3 -24.0 -27.7 43.5 26 26 H G S S+ 0 0 51 -2,-0.3 -24,-0.2 -24,-0.2 3,-0.1 0.451 92.1 68.8 88.4 1.6 -27.0 -25.5 42.6 27 27 H F > + 0 0 16 -24,-0.1 3,-1.9 -26,-0.1 4,-0.1 -0.177 49.1 140.8-139.3 46.8 -25.7 -24.1 39.3 28 28 H S G > S+ 0 0 97 1,-0.3 3,-0.8 2,-0.2 4,-0.1 0.740 71.1 58.6 -64.2 -23.0 -25.7 -27.2 37.0 29 29 H L G 3 S+ 0 0 170 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.336 105.3 50.7 -90.8 8.8 -26.9 -25.1 34.0 30 30 H S G < S+ 0 0 64 -3,-1.9 75,-0.3 1,-0.1 -1,-0.2 0.194 82.7 91.0-123.7 11.6 -23.9 -22.8 34.2 31 31 H T X + 0 0 30 -3,-0.8 3,-2.0 -4,-0.1 2,-0.3 0.573 49.6 120.2 -90.6 -8.3 -21.1 -25.4 34.3 32 32 H S T 3 S- 0 0 84 1,-0.3 73,-0.5 -4,-0.1 -3,-0.0 -0.401 93.3 -4.8 -60.5 117.3 -20.5 -25.6 30.5 33 33 H G T 3 S+ 0 0 21 -2,-0.3 -1,-0.3 1,-0.2 73,-0.1 0.500 100.4 142.7 81.3 4.5 -16.9 -24.6 29.9 34 34 H M < - 0 0 2 -3,-2.0 21,-2.6 71,-0.1 22,-0.6 -0.208 33.3-157.3 -74.2 164.8 -16.2 -23.7 33.5 35 35 H S E -EF 54 103C 7 68,-2.3 68,-2.5 19,-0.2 2,-0.4 -0.948 6.4-142.2-136.0 161.7 -13.0 -24.2 35.5 36 35AH V E -EF 53 102C 1 17,-2.3 17,-2.5 -2,-0.3 2,-0.3 -0.991 17.4-168.7-127.6 133.8 -12.1 -24.6 39.1 37 35BH S E -EF 52 101C 0 64,-2.9 64,-2.0 -2,-0.4 2,-0.4 -0.844 17.5-137.4-118.4 156.3 -9.0 -23.2 40.8 38 36 H W E +EF 51 100C 0 13,-2.3 12,-2.9 -2,-0.3 13,-1.3 -0.962 25.9 176.3-110.6 135.9 -7.3 -23.6 44.1 39 37 H I E -EF 49 99C 0 60,-2.7 60,-3.6 -2,-0.4 2,-0.3 -0.994 8.6-161.7-139.0 133.9 -5.9 -20.4 45.7 40 38 H R E -EF 48 98C 15 8,-2.7 8,-2.7 -2,-0.4 58,-0.2 -0.786 9.2-163.1-120.1 168.9 -4.3 -20.1 49.1 41 39 H Q E - F 0 97C 21 56,-2.0 56,-2.3 -2,-0.3 6,-0.2 -0.811 12.8-146.4-151.9 103.3 -3.5 -17.3 51.6 42 40 H P > - 0 0 22 0, 0.0 3,-2.3 0, 0.0 54,-0.2 -0.317 53.8 -72.4 -62.0 153.6 -1.0 -17.6 54.4 43 41 H P T 3 S- 0 0 94 0, 0.0 3,-0.1 0, 0.0 52,-0.0 -0.268 118.0 -1.2 -53.3 127.6 -2.0 -15.6 57.5 44 42 H G T 3 S+ 0 0 92 1,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.533 114.9 103.2 72.9 8.4 -1.6 -11.8 56.8 45 43 H K S < S- 0 0 140 -3,-2.3 -1,-0.2 1,-0.1 3,-0.1 -0.563 74.0 -78.6-119.6 179.5 -0.2 -12.4 53.3 46 44 H A - 0 0 31 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.297 48.8 -91.1 -78.9 159.5 -1.5 -12.1 49.7 47 45 H L - 0 0 8 280,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.438 40.9-162.5 -59.9 140.5 -3.6 -14.5 47.7 48 46 H E E -E 40 0C 59 -8,-2.7 -8,-2.7 -2,-0.1 2,-0.2 -0.963 12.0-137.4-134.1 117.5 -1.6 -17.1 45.8 49 47 H W E +E 39 0C 7 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.527 24.6 173.4 -74.9 137.9 -3.0 -19.1 42.9 50 48 H L E - 0 0 0 -12,-2.9 13,-2.6 1,-0.4 2,-0.3 0.804 52.6 -20.5-109.5 -48.9 -2.0 -22.8 42.9 51 49 H A E -EG 38 62C 0 -13,-1.3 -13,-2.3 11,-0.2 -1,-0.4 -0.987 44.6-153.5-165.4 159.1 -3.8 -24.7 40.1 52 50 H L E -EG 37 61C 8 9,-2.2 9,-2.6 -2,-0.3 2,-0.4 -0.994 5.9-165.2-143.3 141.6 -6.8 -24.8 37.8 53 51 H I E -EG 36 60C 12 -17,-2.5 -17,-2.3 -2,-0.3 2,-0.3 -0.999 20.8-129.0-129.1 136.9 -8.7 -27.6 36.1 54 52 H D E -E 35 0C 31 5,-2.3 -19,-0.2 -2,-0.4 -20,-0.1 -0.642 12.9-150.0 -81.1 140.2 -11.1 -27.3 33.2 55 52AH W S S+ 0 0 23 -21,-2.6 -20,-0.1 -2,-0.3 -1,-0.1 0.879 91.7 23.3 -82.9 -40.2 -14.4 -29.0 33.9 56 53 H D S S+ 0 0 87 -22,-0.6 2,-0.1 -25,-0.1 -1,-0.1 0.759 120.0 59.3 -98.2 -31.5 -15.4 -30.1 30.4 57 54 H D S S- 0 0 96 2,-0.1 -3,-0.0 1,-0.1 -24,-0.0 -0.468 83.9-121.9 -94.0 172.2 -12.0 -30.2 28.8 58 55 H D S S+ 0 0 152 -2,-0.1 2,-0.1 -5,-0.1 -1,-0.1 0.494 72.1 109.5 -96.4 -2.7 -9.1 -32.4 29.9 59 56 H T + 0 0 67 -6,-0.1 -5,-2.3 1,-0.0 2,-0.3 -0.335 39.4 179.8 -80.5 150.3 -6.5 -29.6 30.6 60 57 H Y E -G 53 0C 143 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.939 11.6-149.4-139.7 166.7 -5.1 -28.5 33.9 61 58 H Y E -G 52 0C 64 -9,-2.6 -9,-2.2 -2,-0.3 2,-0.3 -0.988 6.3-166.7-139.4 144.7 -2.6 -25.9 35.0 62 59 H I E -G 51 0C 37 -2,-0.3 -11,-0.2 260,-0.2 259,-0.1 -0.965 33.8 -96.2-130.0 146.2 -0.2 -25.6 37.9 63 60 H T - 0 0 13 -13,-2.6 9,-0.1 -2,-0.3 -13,-0.1 -0.177 21.8-139.3 -54.0 152.0 1.8 -22.6 39.2 64 61 H Y + 0 0 95 4,-0.1 -1,-0.1 6,-0.0 5,-0.1 0.482 58.0 132.6 -89.5 -7.1 5.4 -22.3 38.0 65 62 H S >> - 0 0 31 1,-0.2 4,-2.5 2,-0.1 3,-1.7 -0.260 59.6-135.0 -52.9 127.0 6.6 -21.3 41.5 66 62AH S T 34 S+ 0 0 98 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.802 100.1 51.4 -62.0 -34.1 9.7 -23.4 42.1 67 62BH S T 34 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.535 123.2 30.6 -82.1 -4.5 8.8 -24.5 45.7 68 63 H L T X> S+ 0 0 0 -3,-1.7 3,-1.8 2,-0.1 4,-0.8 0.651 94.5 83.9-117.8 -28.2 5.3 -25.6 44.6 69 64 H K T 3< S+ 0 0 119 -4,-2.5 3,-0.2 1,-0.3 -3,-0.1 0.732 96.2 42.2 -64.3 -26.7 5.4 -26.8 41.0 70 65 H T T 34 S+ 0 0 119 -4,-0.4 -1,-0.3 1,-0.1 -3,-0.1 0.502 112.9 55.1 -92.8 -3.8 6.6 -30.4 41.7 71 66 H R T <4 S+ 0 0 27 -3,-1.8 17,-2.2 16,-0.1 2,-0.4 0.504 88.1 91.1-106.8 -6.7 4.2 -30.9 44.8 72 67 H L E < +C 87 0A 12 -4,-0.8 2,-0.3 15,-0.2 15,-0.2 -0.797 40.0 170.7-107.7 134.8 0.8 -30.0 43.3 73 68 H T E -C 86 0A 78 13,-2.2 13,-2.7 -2,-0.4 2,-0.4 -0.981 9.2-168.8-130.9 141.5 -1.8 -32.3 41.7 74 69 H I E +C 85 0A 10 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.998 14.6 163.5-130.9 140.4 -5.3 -31.3 40.7 75 70 H S E -C 84 0A 48 9,-2.2 9,-2.5 -2,-0.4 2,-0.3 -0.915 21.1-137.8-147.6 170.3 -8.1 -33.7 39.7 76 71 H K E -C 83 0A 63 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.973 9.6-163.0-138.7 150.1 -11.8 -33.9 39.2 77 72 H D E >>> -C 82 0A 58 5,-2.9 5,-1.8 -2,-0.3 3,-1.6 -0.851 10.0-177.5-128.4 95.2 -14.7 -36.4 39.9 78 73 H T T 345S+ 0 0 86 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.741 78.1 69.2 -69.7 -21.1 -17.6 -35.2 37.8 79 74 H S T 345S+ 0 0 97 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.672 115.3 27.9 -67.9 -15.0 -19.9 -38.0 39.2 80 75 H K T <45S- 0 0 135 -3,-1.6 -56,-0.3 2,-0.2 -1,-0.2 0.340 107.3-117.1-125.3 1.0 -19.7 -36.1 42.5 81 76 H S T <5 + 0 0 43 -4,-0.5 -57,-1.9 -3,-0.3 2,-0.3 0.943 69.8 138.6 54.0 51.4 -19.2 -32.5 41.3 82 77 H Q E < -BC 23 77A 47 -5,-1.8 -5,-2.9 -59,-0.2 2,-0.4 -0.951 42.8-162.9-128.9 146.0 -15.9 -32.4 43.1 83 78 H V E -BC 22 76A 0 -61,-2.1 -61,-2.9 -2,-0.3 2,-0.4 -0.997 17.6-153.7-124.2 134.1 -12.4 -31.1 42.4 84 79 H V E -BC 21 75A 25 -9,-2.5 -9,-2.2 -2,-0.4 2,-0.5 -0.899 8.4-159.6-116.5 133.4 -9.4 -32.3 44.5 85 80 H L E -BC 20 74A 1 -65,-2.6 -65,-2.6 -2,-0.4 2,-0.5 -0.942 9.5-170.0-106.5 127.7 -6.1 -30.7 45.3 86 81 H T E -BC 19 73A 36 -13,-2.7 -13,-2.2 -2,-0.5 2,-0.5 -0.981 4.8-177.4-120.2 123.8 -3.3 -33.0 46.4 87 82 H M E -BC 18 72A 0 -69,-2.9 -69,-2.9 -2,-0.5 3,-0.3 -0.972 9.6-155.5-128.8 119.3 -0.2 -31.4 47.8 88 82AH T + 0 0 56 -17,-2.2 -71,-0.2 -2,-0.5 -72,-0.2 -0.450 64.8 22.2 -95.9 163.7 2.9 -33.4 48.8 89 82BH N S S- 0 0 96 -74,-0.7 -1,-0.2 -2,-0.1 -73,-0.2 0.917 79.9-156.1 52.1 56.4 5.7 -32.8 51.2 90 82CH M - 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