==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 03-APR-13 3W9D . COMPND 2 MOLECULE: ANTIBODY FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.C.LEE,L.L.LIN,A.H.J.WANG . 845 8 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 65.0 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 . 338 40.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 5 0.6 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 . 90 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 2.5 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+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 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 RESIDUES PER ALPHA HELIX . 0 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 . 6 11 10 5 9 14 3 0 3 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 0 10 2 0 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 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 A V 0 0 115 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 118.5 18.1 27.3 -53.0 2 3 A T - 0 0 54 108,-0.1 22,-1.8 2,-0.0 2,-0.5 -0.807 360.0-150.2-123.4 152.6 15.9 24.2 -52.7 3 4 A L E -A 23 0A 7 108,-0.4 110,-0.6 -2,-0.3 2,-0.5 -0.978 19.5-173.3-118.5 116.2 15.3 21.2 -50.4 4 5 A K E -A 22 0A 118 18,-2.8 18,-3.2 -2,-0.5 2,-0.2 -0.942 4.4-161.6-118.4 121.0 13.9 18.1 -52.1 5 6 A Q E -A 21 0A 13 -2,-0.5 16,-0.2 16,-0.2 14,-0.0 -0.586 25.1-102.2 -98.4 153.1 12.8 15.0 -50.1 6 7 A S - 0 0 31 14,-1.5 -1,-0.1 -2,-0.2 13,-0.0 -0.102 53.5 -80.4 -59.7 172.2 12.3 11.4 -51.3 7 8 A G - 0 0 53 1,-0.2 -1,-0.1 108,-0.1 13,-0.1 -0.084 52.8 -74.7 -78.7 174.6 8.8 10.1 -51.9 8 9 A A - 0 0 73 106,-0.1 2,-0.3 107,-0.1 109,-0.2 -0.256 46.8-159.7 -71.5 152.8 6.0 8.8 -49.6 9 10 A E E -d 117 0B 65 107,-2.3 109,-2.4 2,-0.0 2,-0.5 -0.986 17.3-152.6-138.9 147.6 6.3 5.4 -48.0 10 11 A V E -d 118 0B 76 -2,-0.3 2,-0.3 107,-0.2 109,-0.2 -0.977 29.5-177.0-114.6 126.1 4.0 2.8 -46.4 11 12 A K E -d 119 0B 52 107,-3.1 109,-2.3 -2,-0.5 3,-0.1 -0.955 25.7-120.0-132.5 154.0 5.8 0.6 -43.9 12 13 A K > - 0 0 110 -2,-0.3 3,-1.9 107,-0.2 73,-0.2 -0.560 47.8 -90.3 -82.7 149.1 5.0 -2.4 -41.6 13 14 A P T 3 S+ 0 0 69 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.295 114.5 30.6 -55.6 138.9 5.5 -2.0 -37.9 14 15 A G T 3 S+ 0 0 55 71,-3.0 70,-0.7 1,-0.3 72,-0.1 0.094 97.1 107.5 101.5 -21.2 9.1 -3.0 -37.0 15 16 A S < - 0 0 37 -3,-1.9 70,-2.3 69,-0.2 2,-0.3 -0.038 64.6-114.3 -84.6-172.9 10.7 -1.9 -40.2 16 17 A S - 0 0 44 67,-0.2 2,-0.4 68,-0.2 67,-0.2 -0.904 17.1-158.7-125.1 149.3 13.0 1.0 -41.0 17 18 A V E - B 0 82A 1 65,-1.9 65,-2.7 -2,-0.3 2,-0.5 -0.994 1.1-163.3-129.5 139.3 12.6 4.1 -43.1 18 19 A K E - B 0 81A 96 -2,-0.4 2,-0.4 63,-0.2 63,-0.3 -0.980 10.5-164.9-118.1 115.9 15.3 6.3 -44.5 19 20 A V E - B 0 80A 0 61,-3.0 61,-2.9 -2,-0.5 2,-0.3 -0.840 7.7-151.4-103.0 141.9 14.2 9.7 -45.8 20 21 A S E - B 0 79A 25 -2,-0.4 -14,-1.5 59,-0.2 2,-0.4 -0.806 11.5-167.7-116.7 155.0 16.5 11.7 -48.0 21 22 A a E -AB 5 78A 0 57,-1.9 57,-2.7 -2,-0.3 2,-0.5 -0.882 7.2-165.7-148.0 98.7 16.8 15.4 -48.4 22 23 A T E -AB 4 77A 57 -18,-3.2 -18,-2.8 -2,-0.4 2,-0.3 -0.823 8.5-159.6 -96.6 124.5 18.8 16.7 -51.4 23 24 A A E -A 3 0A 10 53,-3.4 3,-0.4 -2,-0.5 -20,-0.2 -0.806 10.4-132.2-100.6 145.6 19.8 20.4 -51.3 24 25 A S S > S+ 0 0 46 -22,-1.8 3,-1.6 -2,-0.3 4,-0.2 -0.447 81.9 26.2 -84.1 164.4 20.8 22.5 -54.2 25 26 A G T 3 S- 0 0 79 1,-0.3 -1,-0.2 -2,-0.1 51,-0.0 0.617 117.8 -80.6 63.2 21.8 23.9 24.8 -54.4 26 27 A G T >> S+ 0 0 7 -3,-0.4 3,-1.3 1,-0.1 4,-0.6 0.780 81.5 150.8 53.7 31.3 26.0 22.9 -51.8 27 28 A T H X> + 0 0 9 -3,-1.6 4,-3.7 1,-0.3 3,-0.9 0.830 65.6 58.8 -66.4 -30.0 24.0 24.6 -49.0 28 29 A L H 34 S+ 0 0 13 47,-0.3 -1,-0.3 1,-0.2 48,-0.1 0.644 93.6 65.6 -75.4 -13.3 24.5 21.7 -46.6 29 30 A R H <4 S+ 0 0 122 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.791 120.6 22.5 -66.8 -27.6 28.3 22.1 -46.9 30 31 A T H << S+ 0 0 100 -3,-0.9 -2,-0.2 -4,-0.6 2,-0.2 0.805 122.0 48.8-104.7 -48.4 27.7 25.5 -45.1 31 32 A Y S < S- 0 0 99 -4,-3.7 68,-0.2 1,-0.1 2,-0.1 -0.577 77.3-115.5-100.2 159.6 24.4 25.3 -43.2 32 33 A G E -E 98 0B 0 66,-1.7 66,-1.9 68,-0.2 2,-0.4 -0.331 21.8-136.0 -81.4 172.6 23.0 22.7 -40.8 33 34 A V E -EF 97 50B 3 17,-2.4 17,-2.1 64,-0.3 2,-0.3 -0.993 12.1-164.5-136.1 128.3 19.9 20.5 -41.3 34 35 A S E -EF 96 49B 0 62,-3.0 62,-2.7 -2,-0.4 2,-0.4 -0.808 8.9-148.9-100.0 152.7 17.2 19.7 -38.8 35 36 A W E +EF 95 48B 0 13,-2.3 12,-3.3 -2,-0.3 13,-1.3 -0.970 22.5 167.9-120.6 138.7 14.6 16.9 -39.1 36 37 A V E -EF 94 46B 0 58,-2.6 58,-3.1 -2,-0.4 2,-0.3 -0.962 18.8-146.1-146.1 156.1 11.2 17.3 -37.7 37 38 A R E -EF 93 45B 8 8,-2.7 8,-2.5 -2,-0.3 2,-0.4 -0.917 1.7-155.8-129.3 156.4 7.9 15.3 -38.0 38 39 A Q E -EF 92 44B 22 54,-2.2 54,-2.6 -2,-0.3 6,-0.2 -0.971 1.7-163.7-134.7 119.0 4.2 16.3 -38.0 39 40 A A - 0 0 21 4,-0.7 52,-0.1 -2,-0.4 51,-0.0 -0.904 27.4-128.5-106.8 114.4 1.4 14.0 -37.1 40 41 A P S S+ 0 0 123 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 0.687 111.6 49.3 -26.2 -49.7 -2.0 15.3 -38.3 41 42 A G S S+ 0 0 65 -3,-0.1 2,-0.2 751,-0.0 752,-0.0 -0.625 117.7 41.7 -93.5 70.1 -3.3 14.8 -34.7 42 43 A Q S S- 0 0 78 -2,-1.2 750,-0.1 270,-0.1 3,-0.1 -0.835 79.8-112.9 164.8 159.4 -0.4 16.7 -33.2 43 44 A G - 0 0 2 -2,-0.2 -4,-0.7 748,-0.2 2,-0.4 0.571 65.3 -46.1 -80.4-123.5 1.9 19.7 -33.6 44 45 A L E -F 38 0B 18 267,-0.5 266,-0.6 -6,-0.2 2,-0.4 -0.932 44.9-162.5-127.1 143.6 5.5 19.4 -34.5 45 46 A E E -F 37 0B 39 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.3 -0.979 16.1-133.8-132.0 124.0 8.2 17.1 -33.1 46 47 A W E -F 36 0B 9 -2,-0.4 -10,-0.3 262,-0.4 3,-0.1 -0.593 18.7-179.3 -81.8 137.0 12.0 17.6 -33.5 47 48 A L E - 0 0 0 -12,-3.3 13,-2.3 1,-0.4 2,-0.3 0.824 52.8 -67.3 -96.9 -42.1 14.1 14.5 -34.4 48 49 A G E -FG 35 59B 0 -13,-1.3 -13,-2.3 11,-0.3 -1,-0.4 -0.967 39.1-122.4 167.0-178.1 17.6 15.9 -34.6 49 50 A R E -FG 34 58B 1 9,-2.7 9,-1.9 -2,-0.3 2,-0.3 -0.985 8.4-165.1-150.8 145.6 20.2 18.1 -36.2 50 51 A T E -FG 33 57B 32 -17,-2.1 -17,-2.4 -2,-0.3 7,-0.2 -0.988 4.5-169.1-132.1 155.3 23.6 18.1 -37.9 51 52 A I - 0 0 15 5,-1.6 2,-2.6 -2,-0.3 5,-0.4 -0.959 40.7 -98.8-131.3 154.2 26.0 20.9 -38.7 52 53 A P S S+ 0 0 48 0, 0.0 2,-0.4 0, 0.0 5,-0.1 -0.322 89.3 97.3 -75.0 64.6 29.1 20.8 -40.9 53 54 A L S > S- 0 0 81 -2,-2.6 3,-1.5 3,-0.2 -2,-0.3 -0.977 89.4 -81.8-148.0 142.7 31.6 20.5 -38.1 54 55 A F T 3 S- 0 0 208 -2,-0.4 3,-0.0 1,-0.3 0, 0.0 -0.097 105.9 -7.9 -50.9 125.0 33.1 17.4 -36.9 55 56 A G T 3 S+ 0 0 69 1,-0.2 2,-0.5 -4,-0.0 -1,-0.3 0.727 88.1 131.5 65.9 31.6 30.9 15.5 -34.5 56 57 A K < + 0 0 80 -3,-1.5 -5,-1.6 -5,-0.4 2,-0.4 -0.722 25.2 129.9-114.4 73.4 28.2 18.1 -34.0 57 58 A T E -G 50 0B 52 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.989 37.4-163.3-127.1 117.9 25.0 16.0 -34.5 58 59 A D E -G 49 0B 47 -9,-1.9 -9,-2.7 -2,-0.4 2,-0.4 -0.839 1.7-162.3-108.2 143.6 22.3 16.3 -31.9 59 60 A Y E -G 48 0B 72 -2,-0.4 -11,-0.3 -11,-0.2 2,-0.2 -0.955 27.9-109.1-122.1 141.8 19.3 13.9 -31.3 60 61 A A > - 0 0 8 -13,-2.3 3,-2.3 -2,-0.4 4,-0.4 -0.506 28.9-125.9 -67.3 134.7 16.1 14.5 -29.5 61 62 A Q G > S+ 0 0 155 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.844 108.2 60.6 -47.4 -44.8 16.1 12.5 -26.2 62 63 A K G 3 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.0 -15,-0.0 0.605 113.9 35.2 -61.3 -18.8 12.8 10.9 -27.1 63 64 A F G X> S+ 0 0 2 -3,-2.3 3,-2.5 -16,-0.2 4,-2.3 0.192 80.0 139.9-125.0 10.1 14.3 9.3 -30.3 64 65 A Q T <4 S+ 0 0 119 -3,-1.2 4,-0.1 -4,-0.4 -3,-0.0 -0.421 78.7 16.7 -52.7 129.5 17.8 8.5 -29.0 65 66 A G T 34 S+ 0 0 81 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.410 123.6 64.4 83.0 0.8 18.8 5.2 -30.4 66 67 A R T <4 S+ 0 0 59 -3,-2.5 17,-1.9 1,-0.2 2,-0.3 0.701 90.5 59.1-122.7 -35.9 16.1 5.3 -33.0 67 68 A V E < -C 82 0A 3 -4,-2.3 -2,-0.4 15,-0.2 2,-0.4 -0.760 59.8-174.6 -92.5 141.2 16.9 8.2 -35.3 68 69 A T E -C 81 0A 64 13,-1.8 13,-2.8 -2,-0.3 2,-0.4 -0.961 7.5-159.9-139.9 125.6 20.1 8.4 -37.3 69 70 A I E +C 80 0A 12 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.860 22.3 156.8-104.8 134.2 21.3 11.3 -39.4 70 71 A T E -C 79 0A 56 9,-1.9 9,-3.0 -2,-0.4 2,-0.3 -0.826 22.7-149.4-143.2 176.6 23.9 10.9 -42.1 71 72 A A E -C 78 0A 51 -2,-0.3 7,-0.2 7,-0.2 -51,-0.0 -0.973 22.6-107.2-150.3 154.6 25.0 12.5 -45.3 72 73 A D > - 0 0 52 5,-1.6 3,-0.6 -2,-0.3 7,-0.0 -0.224 46.9 -91.5 -74.1 173.9 26.6 11.5 -48.5 73 74 A K T 3 S+ 0 0 196 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.969 127.3 44.0 -43.2 -63.4 30.2 12.3 -49.4 74 75 A S T 3 S- 0 0 36 1,-0.1 -1,-0.2 -3,-0.0 -45,-0.0 0.626 100.0-131.5 -58.7 -23.4 29.3 15.6 -51.1 75 76 A M S < S+ 0 0 68 -3,-0.6 -47,-0.3 2,-0.2 -1,-0.1 0.714 75.0 123.2 57.1 26.9 26.8 16.7 -48.4 76 77 A D S S+ 0 0 57 1,-0.1 -53,-3.4 -48,-0.1 2,-0.4 0.799 74.3 43.8 -69.4 -30.1 24.4 17.4 -51.3 77 78 A T E -B 22 0A 15 -55,-0.3 -5,-1.6 -49,-0.0 2,-0.4 -0.937 66.1-161.8-127.1 133.4 22.1 15.1 -49.4 78 79 A S E -BC 21 71A 2 -57,-2.7 -57,-1.9 -2,-0.4 2,-0.4 -0.918 15.7-157.7-107.0 145.1 21.0 14.6 -45.7 79 80 A F E -BC 20 70A 48 -9,-3.0 -9,-1.9 -2,-0.4 2,-0.5 -0.974 10.0-164.5-126.8 134.4 19.4 11.3 -44.6 80 81 A M E -BC 19 69A 0 -61,-2.9 -61,-3.0 -2,-0.4 2,-0.5 -0.967 9.2-167.7-115.8 121.3 17.2 10.5 -41.6 81 82 A E E -BC 18 68A 65 -13,-2.8 -13,-1.8 -2,-0.5 2,-0.5 -0.935 2.5-171.6-110.9 123.3 16.7 6.9 -40.7 82 83 A L E -BC 17 67A 0 -65,-2.7 -65,-1.9 -2,-0.5 3,-0.2 -0.969 10.3-166.1-114.6 121.2 14.0 5.9 -38.2 83 84 A T + 0 0 42 -17,-1.9 -67,-0.2 -2,-0.5 -68,-0.1 -0.510 60.6 33.2-103.4 167.8 14.0 2.2 -37.0 84 85 A S S S- 0 0 69 -70,-0.7 -1,-0.2 -2,-0.2 -69,-0.2 0.939 82.6-156.9 55.5 50.4 11.4 0.1 -35.1 85 86 A L + 0 0 2 -70,-2.3 -71,-3.0 -3,-0.2 2,-0.3 -0.279 16.8 179.8 -64.0 145.8 8.6 1.9 -36.8 86 87 A T > - 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