==== 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 25-JAN-11 3QHF . COMPND 2 MOLECULE: HUMAN MONOCLONAL ANTIBODY DEL2D1, FAB HEAVY CHAI . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.C.EKIERT,I.A.WILSON . 441 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 39.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 4 0.9 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 . 38 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 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 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 6 2 8 2 3 7 2 2 1 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 0 4 1 3 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 0 175 0, 0.0 2,-0.5 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 -37.4 18.0 -19.8 5.5 2 2 H V - 0 0 28 24,-0.1 2,-0.4 22,-0.1 24,-0.2 -0.754 360.0-179.6 -80.5 129.3 14.7 -20.8 7.1 3 3 H Q E -A 25 0A 116 22,-2.0 22,-2.2 -2,-0.5 2,-0.4 -0.987 21.0-171.8-133.0 140.9 12.3 -22.1 4.5 4 4 H L E -A 24 0A 14 -2,-0.4 112,-0.6 20,-0.2 2,-0.5 -0.998 13.8-173.0-126.8 124.7 8.7 -23.3 4.7 5 5 H V E -A 23 0A 65 18,-1.9 18,-2.5 -2,-0.4 2,-0.3 -0.952 7.7-155.8-129.5 111.8 7.5 -24.8 1.5 6 6 H E E +A 22 0A 15 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.606 18.3 171.0 -84.3 143.8 3.9 -25.9 1.0 7 7 H S E +A 21 0A 54 14,-2.2 14,-2.6 -2,-0.3 111,-0.1 -0.990 14.5 110.0-149.6 161.1 2.8 -28.5 -1.5 8 8 H G - 0 0 36 -2,-0.3 12,-0.1 12,-0.2 111,-0.1 -0.927 67.1 -32.9 157.3 179.8 -0.2 -30.5 -2.4 9 9 H P - 0 0 50 0, 0.0 3,-0.1 0, 0.0 112,-0.0 -0.361 37.9-149.8 -66.7 144.1 -2.9 -30.8 -5.2 10 10 H A S S+ 0 0 20 1,-0.2 111,-2.3 110,-0.1 2,-0.4 0.648 85.3 36.3 -81.5 -20.0 -3.9 -27.7 -7.0 11 11 H L E +d 121 0B 34 109,-0.2 2,-0.4 202,-0.1 111,-0.2 -0.998 62.6 176.9-141.3 131.1 -7.4 -29.1 -7.5 12 12 H V E -d 122 0B 6 109,-2.2 111,-1.8 -2,-0.4 6,-0.1 -0.992 28.0-121.8-135.0 144.7 -9.6 -31.3 -5.4 13 13 H K > - 0 0 92 -2,-0.4 3,-2.0 109,-0.2 74,-0.2 -0.520 43.5 -86.5 -83.5 149.4 -13.2 -32.5 -6.1 14 14 H P T 3 S+ 0 0 34 0, 0.0 74,-0.2 0, 0.0 -1,-0.1 -0.281 114.9 20.2 -54.7 145.3 -16.0 -31.7 -3.8 15 15 H T T 3 S+ 0 0 103 72,-3.1 71,-0.6 1,-0.3 73,-0.1 0.146 100.8 116.9 77.4 -11.6 -16.3 -34.2 -0.9 16 16 H Q < - 0 0 92 -3,-2.0 71,-2.6 71,-0.2 2,-0.4 -0.280 69.4-105.8 -80.5 169.7 -12.7 -35.4 -1.4 17 17 H T - 0 0 71 69,-0.2 2,-0.4 68,-0.2 68,-0.2 -0.773 24.4-145.3 -98.6 140.3 -9.9 -35.2 1.1 18 18 H L E - B 0 84A 0 66,-2.7 66,-2.2 -2,-0.4 2,-0.5 -0.890 11.3-168.9-103.6 132.4 -7.1 -32.6 0.8 19 19 H T E - B 0 83A 67 -2,-0.4 2,-0.4 64,-0.2 64,-0.2 -0.987 8.0-178.2-121.7 119.8 -3.6 -33.5 2.0 20 20 H L E - B 0 82A 0 62,-2.5 62,-2.5 -2,-0.5 2,-0.4 -0.902 9.4-155.4-114.0 149.5 -1.0 -30.7 2.2 21 21 H T E -AB 7 81A 28 -14,-2.6 -14,-2.2 -2,-0.4 2,-0.6 -0.969 5.8-157.5-126.4 136.7 2.6 -31.0 3.2 22 22 H a E -AB 6 80A 0 58,-3.0 58,-2.3 -2,-0.4 2,-0.6 -0.974 10.0-166.5-110.8 118.3 4.9 -28.4 4.6 23 23 H S E -AB 5 79A 41 -18,-2.5 -18,-1.9 -2,-0.6 2,-0.3 -0.937 16.0-173.7-102.5 121.5 8.5 -29.2 4.0 24 24 H F E +A 4 0A 14 54,-2.3 2,-0.3 -2,-0.6 -20,-0.2 -0.788 13.0 178.8-119.2 157.7 10.7 -27.0 6.1 25 25 H S E +A 3 0A 59 -22,-2.2 -22,-2.0 -2,-0.3 3,-0.1 -0.960 56.6 51.6-144.8 165.6 14.4 -26.4 6.5 26 26 H G S S+ 0 0 55 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.1 0.393 107.6 43.8 89.9 -3.2 16.7 -24.2 8.6 27 27 H F S S- 0 0 26 -24,-0.1 2,-0.4 -26,-0.1 -1,-0.1 -0.979 77.0-117.9-162.9 165.7 15.2 -25.2 11.9 28 28 H S > - 0 0 46 -2,-0.3 3,-1.2 1,-0.1 6,-0.1 -0.917 6.4-148.6-117.8 135.4 14.0 -28.3 13.8 29 29 H L T 3 S+ 0 0 8 -2,-0.4 5,-0.2 1,-0.3 -1,-0.1 0.685 99.0 64.5 -75.6 -14.7 10.5 -28.9 14.9 30 30 H S T 3 S+ 0 0 68 45,-0.1 -1,-0.3 26,-0.1 2,-0.2 0.559 78.8 110.7 -81.7 -7.0 11.8 -30.8 17.9 31 31 H T S X S- 0 0 64 -3,-1.2 3,-2.0 1,-0.1 24,-0.2 -0.475 84.2 -96.7 -70.8 135.8 13.4 -27.7 19.2 32 32 H S T 3 S+ 0 0 88 1,-0.3 70,-0.2 -2,-0.2 -1,-0.1 -0.252 107.8 16.7 -54.1 131.0 11.9 -26.3 22.4 33 33 H G T 3 S+ 0 0 4 1,-0.3 69,-0.8 68,-0.1 2,-0.3 0.474 95.3 124.9 86.3 3.0 9.4 -23.5 21.7 34 34 H M E < +E 101 0C 16 -3,-2.0 21,-1.5 67,-0.2 -1,-0.3 -0.743 27.7 161.1 -94.1 144.6 8.9 -24.3 17.9 35 35 H S E -EF 100 54C 8 65,-1.6 65,-2.5 -2,-0.3 2,-0.4 -0.964 24.6-145.7-151.8 163.3 5.6 -25.0 16.3 36 35AH V E -EF 99 53C 0 17,-2.2 17,-2.5 -2,-0.3 2,-0.3 -0.999 17.1-171.0-134.7 135.1 4.1 -25.0 12.8 37 35BH S E -EF 98 52C 0 61,-2.7 61,-2.4 -2,-0.4 2,-0.4 -0.841 19.8-135.3-120.3 157.3 0.6 -24.0 11.8 38 36 H W E +EF 97 51C 0 13,-2.3 12,-2.8 -2,-0.3 13,-1.3 -0.955 27.2 174.3-107.4 135.3 -1.6 -24.1 8.8 39 37 H I E -EF 96 49C 0 57,-2.3 57,-3.3 -2,-0.4 2,-0.3 -0.995 11.8-157.0-137.2 139.0 -3.6 -21.0 8.0 40 38 H R E -EF 95 48C 14 8,-2.9 8,-2.6 -2,-0.3 55,-0.2 -0.744 8.2-162.3-121.8 164.9 -5.7 -20.4 4.9 41 39 H Q E -E 94 0C 20 53,-2.0 53,-2.2 -2,-0.3 6,-0.2 -0.828 14.6-142.9-147.1 104.9 -7.0 -17.5 3.0 42 40 H P > - 0 0 21 0, 0.0 3,-2.5 0, 0.0 51,-0.2 -0.317 52.7 -75.1 -61.8 151.7 -9.8 -17.6 0.5 43 41 H P T 3 S- 0 0 88 0, 0.0 3,-0.1 0, 0.0 49,-0.0 -0.288 117.5 -2.1 -54.4 125.0 -9.2 -15.3 -2.4 44 42 H G T 3 S+ 0 0 90 1,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.528 117.7 99.4 74.3 7.4 -9.8 -11.7 -1.3 45 43 H K S < S- 0 0 132 -3,-2.5 -1,-0.2 1,-0.1 2,-0.1 -0.502 75.3 -71.9-118.5-172.9 -10.8 -12.7 2.2 46 44 H A - 0 0 28 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.303 47.8 -95.7 -83.6 163.1 -9.3 -13.0 5.7 47 45 H L - 0 0 8 283,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.501 36.8-165.7 -70.7 142.5 -6.8 -15.3 7.2 48 46 H E E -F 40 0C 45 -8,-2.6 -8,-2.9 -2,-0.2 2,-0.2 -0.967 14.1-136.5-134.5 117.1 -8.2 -18.3 9.0 49 47 H W E +F 39 0C 7 -2,-0.4 -10,-0.3 -10,-0.3 3,-0.1 -0.497 23.4 176.2 -73.8 139.0 -6.1 -20.5 11.3 50 48 H L E - 0 0 0 -12,-2.8 12,-2.6 1,-0.4 2,-0.3 0.808 52.3 -25.1-110.5 -50.0 -6.6 -24.2 10.9 51 49 H A E -FG 38 61C 0 -13,-1.3 -13,-2.3 10,-0.2 -1,-0.4 -0.985 44.8-153.6-165.6 161.8 -4.2 -26.2 13.1 52 50 H L E -FG 37 60C 13 8,-2.2 8,-2.1 -2,-0.3 2,-0.4 -0.995 0.7-164.4-143.4 144.1 -0.9 -26.2 14.9 53 51 H I E -FG 36 59C 5 -17,-2.5 -17,-2.2 -2,-0.3 6,-0.2 -0.998 17.7-155.5-127.8 136.3 1.6 -28.9 16.0 54 52 H D E > -F 35 0C 15 4,-2.3 3,-2.1 -2,-0.4 -19,-0.2 -0.461 35.8 -91.0-106.5-179.8 4.3 -28.1 18.5 55 53 H W T 3 S+ 0 0 75 -21,-1.5 -20,-0.1 1,-0.3 -23,-0.1 0.703 125.6 53.2 -63.4 -19.1 7.8 -29.5 19.4 56 54 H D T 3 S- 0 0 93 -22,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.221 119.1-108.4 -98.3 10.3 6.1 -31.8 22.0 57 55 H D < + 0 0 101 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.521 70.0 147.9 71.4 6.7 3.7 -33.3 19.4 58 56 H D - 0 0 83 -5,-0.0 -4,-2.3 1,-0.0 2,-0.3 -0.500 32.6-154.5 -68.3 142.6 0.8 -31.4 21.0 59 57 H T E -G 53 0C 55 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.903 13.9-170.9-122.3 147.5 -1.9 -30.5 18.5 60 58 H Y E -G 52 0C 77 -8,-2.1 -8,-2.2 -2,-0.3 2,-0.3 -0.986 9.6-164.6-133.1 148.8 -4.5 -27.7 18.4 61 59 H Y E -G 51 0C 28 264,-0.4 -10,-0.2 -2,-0.3 5,-0.1 -0.945 34.4 -88.2-135.4 152.7 -7.3 -27.2 16.0 62 60 H S > - 0 0 7 -12,-2.6 4,-1.1 -2,-0.3 3,-0.2 -0.353 38.1-137.9 -51.0 127.9 -9.8 -24.6 14.8 63 61 H S T 4 S+ 0 0 47 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.787 101.9 46.1 -66.9 -26.2 -12.7 -25.1 17.1 64 62 H S T 4 S+ 0 0 53 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.732 123.1 32.1 -87.6 -22.8 -15.2 -24.7 14.2 65 63 H L T >4 S+ 0 0 19 -3,-0.2 3,-2.1 -15,-0.1 4,-0.5 0.318 82.6 114.3-114.7 5.4 -13.4 -27.0 11.8 66 64 H K G >< + 0 0 107 -4,-1.1 3,-1.5 1,-0.3 -1,-0.1 0.829 69.6 59.6 -50.6 -42.2 -11.9 -29.5 14.2 67 65 H T G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.674 108.7 45.8 -66.4 -14.6 -13.9 -32.5 13.0 68 66 H R G < S+ 0 0 46 -3,-2.1 17,-2.2 16,-0.1 2,-0.3 0.505 102.4 80.3-101.6 -5.4 -12.5 -32.2 9.5 69 67 H L E < +C 84 0A 8 -3,-1.5 2,-0.3 -4,-0.5 15,-0.2 -0.775 40.8 174.0-117.9 149.8 -8.8 -31.7 10.3 70 68 H T E -C 83 0A 77 13,-1.8 13,-2.5 -2,-0.3 2,-0.4 -0.979 8.9-170.4-142.2 139.0 -5.7 -33.7 11.3 71 69 H I E +C 82 0A 6 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 15.5 160.8-128.9 139.4 -2.2 -32.3 11.6 72 70 H S E -C 81 0A 52 9,-1.9 9,-2.6 -2,-0.4 2,-0.3 -0.956 23.1-138.9-148.9 165.1 0.9 -34.5 12.1 73 71 H K E -C 80 0A 39 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.959 4.9-151.1-134.6 153.4 4.6 -34.3 11.6 74 72 H D E >> -C 79 0A 62 5,-2.7 5,-1.6 -2,-0.3 4,-0.9 -0.929 7.2-169.9-119.5 101.4 7.4 -36.5 10.3 75 73 H T T >45S+ 0 0 96 -2,-0.5 3,-0.9 1,-0.2 -1,-0.1 0.917 86.1 57.1 -55.4 -44.2 10.7 -35.8 12.1 76 74 H S T 345S+ 0 0 117 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.841 116.6 33.1 -58.5 -37.9 12.6 -37.9 9.6 77 75 H K T 345S- 0 0 132 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.428 101.8-125.4 -99.6 -0.4 11.4 -35.9 6.6 78 76 H S T <<5 + 0 0 47 -4,-0.9 -54,-2.3 -3,-0.9 2,-0.3 0.953 66.9 134.6 49.1 53.3 11.2 -32.5 8.2 79 77 H Q E < -BC 23 74A 54 -5,-1.6 -5,-2.7 -56,-0.2 2,-0.4 -0.969 46.6-157.9-132.0 147.0 7.5 -32.3 7.0 80 78 H V E -BC 22 73A 0 -58,-2.3 -58,-3.0 -2,-0.3 2,-0.4 -0.995 18.9-157.0-121.8 132.3 4.2 -31.3 8.6 81 79 H V E -BC 21 72A 30 -9,-2.6 -9,-1.9 -2,-0.4 2,-0.4 -0.922 8.0-164.4-118.8 133.5 1.1 -32.7 7.0 82 80 H L E -BC 20 71A 3 -62,-2.5 -62,-2.5 -2,-0.4 2,-0.4 -0.945 3.3-168.0-113.5 135.2 -2.5 -31.4 7.1 83 81 H T E -BC 19 70A 39 -13,-2.5 -13,-1.8 -2,-0.4 2,-0.4 -0.985 4.8-177.9-120.2 133.7 -5.5 -33.4 6.2 84 82 H M E -BC 18 69A 1 -66,-2.2 -66,-2.7 -2,-0.4 3,-0.3 -0.983 14.0-150.6-133.6 120.3 -8.9 -31.8 5.7 85 82AH T + 0 0 53 -17,-2.2 -68,-0.2 -2,-0.4 -69,-0.1 -0.418 65.8 23.0 -89.7 164.0 -11.9 -34.0 4.8 86 82BH N S S- 0 0 99 -71,-0.6 -1,-0.2 1,-0.1 -69,-0.2 0.881 77.9-155.9 54.2 51.9 -15.1 -33.3 2.8 87 82CH M - 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