==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 16-FEB-12 4DQO . COMPND 2 MOLECULE: PG16 FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.PANCERA,J.S.MCLELLAN,P.D.KWONG . 542 5 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 210 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 54 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 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 . 4 1 1 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 . 8 2 9 2 3 8 4 2 0 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 . 1 0 3 2 3 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 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 0 147 0, 0.0 26,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 41.1 44.2 -69.7 5.2 2 2 H E + 0 0 100 24,-0.4 2,-0.3 22,-0.1 24,-0.2 -0.092 360.0 171.3 -43.7 122.3 40.6 -69.6 4.2 3 3 H Q E -A 25 0A 106 22,-2.4 22,-1.6 123,-0.1 2,-0.4 -1.000 23.5-168.5-143.4 140.0 40.2 -66.5 2.0 4 4 H L E -Ab 24 128A 6 123,-0.5 125,-0.6 -2,-0.3 2,-0.4 -0.993 6.2-171.0-126.3 136.2 37.5 -65.1 -0.3 5 5 H V E -A 23 0A 68 18,-1.5 18,-2.7 -2,-0.4 2,-0.1 -0.911 5.9-161.5-133.8 108.0 38.0 -62.2 -2.7 6 6 H E E +A 22 0A 14 -2,-0.4 2,-0.3 16,-0.3 16,-0.2 -0.369 17.9 161.0 -81.2 161.6 35.2 -60.5 -4.5 7 7 H S E +A 21 0A 57 14,-1.6 14,-2.0 124,-0.1 124,-0.1 -0.971 38.0 77.0-167.0 173.6 35.5 -58.3 -7.6 8 8 H G + 0 0 41 1,-0.3 11,-0.1 -2,-0.3 14,-0.0 0.371 60.9 146.8 96.3 -2.7 33.7 -56.8 -10.5 9 9 H G + 0 0 31 12,-0.1 -1,-0.3 85,-0.1 2,-0.3 -0.298 17.9 108.7 -66.3 150.6 32.0 -54.1 -8.5 10 10 H G - 0 0 29 122,-0.5 124,-2.5 121,-0.1 2,-0.4 -0.984 63.7 -39.0 170.4-165.6 31.4 -50.7 -10.1 11 11 H V E +f 134 0B 89 -2,-0.3 2,-0.3 122,-0.2 124,-0.2 -0.729 50.0 166.8 -93.3 132.4 28.8 -48.3 -11.4 12 12 H V E -f 135 0B 20 122,-3.0 124,-2.6 -2,-0.4 6,-0.1 -0.951 33.0-115.0-136.1 159.1 25.8 -49.4 -13.4 13 13 H Q > - 0 0 123 -2,-0.3 3,-2.3 122,-0.2 73,-0.2 -0.703 44.6 -90.0 -94.3 146.2 22.5 -47.7 -14.5 14 14 H P T 3 S+ 0 0 50 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.292 116.7 29.7 -56.2 133.9 19.1 -48.9 -13.2 15 15 H G T 3 S+ 0 0 53 71,-2.2 70,-0.7 1,-0.3 72,-0.1 0.184 104.2 107.8 99.1 -13.0 17.7 -51.6 -15.5 16 16 H G < - 0 0 26 -3,-2.3 70,-1.8 70,-0.2 -1,-0.3 -0.001 61.9-118.4 -89.0-167.2 21.2 -52.7 -16.5 17 17 H S + 0 0 72 67,-0.2 2,-0.3 68,-0.1 67,-0.2 -0.887 24.1 171.6-135.8 161.6 23.3 -55.8 -15.7 18 18 H L E - C 0 83A 38 65,-0.8 65,-3.3 -2,-0.3 2,-0.5 -0.916 20.2-140.1-170.1 141.7 26.6 -56.7 -14.0 19 19 H R E - C 0 82A 118 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.943 14.0-164.9-114.6 126.7 28.4 -59.8 -12.9 20 20 H L E - C 0 81A 0 61,-2.7 61,-2.0 -2,-0.5 2,-0.3 -0.696 6.6-162.1 -98.8 159.0 30.4 -60.2 -9.6 21 21 H S E -AC 7 80A 31 -14,-2.0 -14,-1.6 -2,-0.3 2,-0.4 -0.988 9.7-155.4-142.3 151.6 32.9 -62.9 -8.9 22 22 H a E -AC 6 79A 0 57,-2.3 57,-2.1 -2,-0.3 2,-0.6 -0.969 10.5-151.6-131.8 115.0 34.5 -64.3 -5.7 23 23 H L E -AC 5 78A 102 -18,-2.7 -18,-1.5 -2,-0.4 2,-0.3 -0.771 17.0-159.9 -91.3 122.8 37.9 -66.1 -5.9 24 24 H A E +A 4 0A 3 53,-2.5 2,-0.3 -2,-0.6 -20,-0.2 -0.708 18.2 156.9-104.3 152.3 38.4 -68.7 -3.2 25 25 H S E +A 3 0A 54 -22,-1.6 -22,-2.4 -2,-0.3 3,-0.1 -0.975 46.8 55.4-163.4 161.2 41.5 -70.3 -1.7 26 26 H G S S+ 0 0 34 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.3 0.425 103.6 48.4 91.1 -0.5 42.9 -72.0 1.3 27 27 H F S S- 0 0 34 -26,-0.1 2,-1.2 -24,-0.1 -1,-0.1 -0.985 98.7 -78.7-160.6 166.4 40.2 -74.7 1.3 28 28 H T > - 0 0 61 -2,-0.3 3,-1.4 1,-0.2 4,-0.3 -0.604 43.9-167.1 -74.0 99.0 38.4 -77.3 -0.8 29 29 H F G > S+ 0 0 1 -2,-1.2 3,-2.0 1,-0.3 -1,-0.2 0.903 77.8 56.8 -55.3 -51.7 35.9 -75.0 -2.6 30 30 H H G 3 S+ 0 0 101 1,-0.3 -1,-0.3 44,-0.2 -2,-0.1 0.406 97.5 64.7 -71.8 3.8 33.6 -77.7 -4.1 31 31 H K G < S+ 0 0 79 -3,-1.4 87,-0.4 86,-0.1 2,-0.4 0.541 96.6 66.4 -96.9 -9.9 32.8 -79.2 -0.7 32 32 H Y S < S- 0 0 38 -3,-2.0 68,-0.1 -4,-0.3 2,-0.1 -0.902 74.7-129.0-120.4 140.8 31.1 -76.1 0.6 33 33 H G - 0 0 5 66,-0.4 66,-2.3 -2,-0.4 2,-0.3 -0.391 31.7-142.3 -71.7 162.6 27.9 -74.2 -0.2 34 34 H M E -GH 51 98C 0 17,-2.3 17,-2.2 64,-0.2 2,-0.3 -0.986 11.2-156.6-139.8 143.4 28.3 -70.4 -0.7 35 35 H H E -GH 50 97C 0 62,-3.4 62,-1.9 -2,-0.3 2,-0.4 -0.768 9.6-150.0-114.0 156.2 26.4 -67.3 0.1 36 36 H W E -GH 49 96C 0 13,-2.2 12,-2.7 -2,-0.3 13,-1.5 -0.999 21.0-179.5-117.7 133.5 26.1 -63.7 -1.2 37 37 H V E -GH 47 95C 0 58,-2.1 58,-4.2 -2,-0.4 2,-0.3 -0.999 9.3-155.7-131.8 134.8 25.1 -61.1 1.4 38 38 H R E -GH 46 94C 23 8,-2.7 8,-2.4 -2,-0.4 2,-0.3 -0.733 7.0-164.4-107.8 159.1 24.6 -57.4 0.7 39 39 H Q E -GH 45 93C 29 54,-2.3 54,-2.4 -2,-0.3 6,-0.2 -0.856 14.4-147.0-143.2 105.1 24.9 -54.3 3.0 40 40 H A > - 0 0 16 4,-0.6 3,-3.1 -2,-0.3 52,-0.2 -0.379 49.1 -70.0 -68.2 149.2 23.4 -51.0 1.8 41 41 H P T 3 S- 0 0 96 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.146 119.0 -8.2 -43.4 113.1 25.2 -47.8 2.9 42 42 H G T 3 S+ 0 0 58 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.506 117.1 105.4 75.6 4.9 24.7 -47.4 6.7 43 43 H K S < S- 0 0 145 -3,-3.1 -1,-0.3 1,-0.2 3,-0.1 -0.420 71.1 -87.7-107.8-174.9 22.2 -50.3 6.7 44 44 H G - 0 0 20 1,-0.1 -4,-0.6 -2,-0.1 2,-0.2 -0.262 48.3 -76.6 -92.2 176.0 22.3 -53.9 8.0 45 45 H L E -G 39 0C 7 298,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.479 45.1-169.3 -70.6 140.4 23.4 -57.2 6.5 46 46 H E E -G 38 0C 56 -8,-2.4 -8,-2.7 -2,-0.2 2,-0.1 -0.968 20.3-127.0-139.0 118.9 20.8 -58.8 4.1 47 47 H W E +G 37 0C 7 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.404 29.9 172.5 -66.4 137.3 21.1 -62.3 2.8 48 48 H V E - 0 0 0 -12,-2.7 13,-3.0 1,-0.3 2,-0.3 0.801 51.9 -16.1-112.7 -55.5 20.9 -62.5 -1.0 49 49 H A E -GI 36 60C 0 -13,-1.5 -13,-2.2 11,-0.2 2,-0.3 -0.995 42.7-156.5-157.0 157.6 21.5 -66.0 -2.3 50 50 H L E -GI 35 59C 9 9,-2.2 9,-2.2 -2,-0.3 2,-0.4 -0.998 8.4-168.9-137.5 140.1 22.9 -69.5 -1.5 51 51 H I E -GI 34 58C 1 -17,-2.2 -17,-2.3 -2,-0.3 7,-0.2 -0.998 24.3-118.1-132.5 135.4 24.2 -72.2 -3.8 52 52 H S > - 0 0 18 5,-2.4 3,-1.8 -2,-0.4 -20,-0.1 -0.173 35.9 -97.8 -68.0 162.0 25.0 -75.8 -2.9 53 52AH D T 3 S+ 0 0 27 1,-0.3 -21,-0.2 -22,-0.2 -1,-0.1 0.852 125.1 39.6 -46.7 -46.5 28.5 -77.3 -3.2 54 53 H D T 3 S- 0 0 70 -23,-0.1 -1,-0.3 20,-0.0 20,-0.1 0.476 109.7-121.2 -89.4 -3.2 27.9 -78.9 -6.6 55 54 H G S < S+ 0 0 19 -3,-1.8 17,-0.1 2,-0.2 -2,-0.1 0.695 81.7 114.4 75.2 20.8 25.9 -75.9 -7.8 56 55 H M + 0 0 141 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.649 69.0 54.2 -95.9 -18.4 22.7 -77.9 -8.5 57 56 H R - 0 0 112 2,-0.0 -5,-2.4 -5,-0.0 2,-0.3 -0.974 66.5-179.0-122.4 124.7 20.5 -76.2 -5.8 58 57 H K E -I 51 0C 95 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.893 7.8-169.7-121.8 150.0 20.1 -72.4 -5.7 59 58 H Y E -I 50 0C 72 -9,-2.2 -9,-2.2 -2,-0.3 2,-0.4 -0.996 3.1-173.2-139.3 135.1 18.2 -70.1 -3.4 60 59 H H E -I 49 0C 35 -2,-0.4 -11,-0.2 -11,-0.2 5,-0.1 -0.979 30.5-107.2-128.7 142.2 17.5 -66.4 -3.8 61 60 H S >> - 0 0 1 -13,-3.0 4,-1.2 -2,-0.4 3,-0.8 -0.250 27.5-121.2 -62.6 152.6 15.9 -64.0 -1.4 62 61 H D T 34 S+ 0 0 80 1,-0.2 -1,-0.1 2,-0.2 -14,-0.1 0.779 109.6 59.2 -65.3 -28.0 12.4 -62.8 -2.1 63 62 H S T 34 S+ 0 0 39 1,-0.2 -1,-0.2 179,-0.0 -15,-0.1 0.670 117.7 28.7 -79.5 -17.2 13.4 -59.2 -2.3 64 63 H M T X> S+ 0 0 0 -3,-0.8 3,-2.6 -16,-0.2 4,-0.6 0.424 83.9 132.0-120.1 -3.9 16.0 -59.7 -5.1 65 64 H W B 3< S+d 68 0A 189 -4,-1.2 4,-0.1 1,-0.3 -3,-0.0 -0.288 74.9 27.1 -54.5 127.2 14.4 -62.6 -6.9 66 65 H G T 34 S+ 0 0 49 2,-0.5 -1,-0.3 -2,-0.0 3,-0.1 0.185 116.6 62.8 103.0 -14.5 14.4 -61.9 -10.6 67 66 H R T <4 S+ 0 0 27 -3,-2.6 17,-1.5 1,-0.1 2,-0.3 0.400 99.3 54.1-119.0 -2.4 17.3 -59.5 -10.4 68 67 H V E < -dE 65 83A 7 -4,-0.6 -2,-0.5 15,-0.2 2,-0.3 -0.972 50.5-174.6-135.0 148.9 20.0 -62.0 -9.3 69 68 H T E - E 0 82A 64 13,-1.3 13,-2.9 -2,-0.3 2,-0.3 -0.939 14.5-154.9-141.1 119.9 21.4 -65.3 -10.4 70 69 H I E + E 0 81A 0 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.688 25.3 151.6 -92.3 145.1 24.0 -67.2 -8.3 71 70 H S E - E 0 80A 25 9,-1.6 9,-3.1 -2,-0.3 2,-0.3 -0.959 21.8-154.3-159.3 175.3 26.4 -69.7 -9.9 72 71 H R E - E 0 79A 29 -2,-0.3 2,-0.4 7,-0.3 7,-0.2 -0.991 14.6-147.3-155.1 156.6 29.8 -71.2 -9.4 73 72 H D E > > - E 0 78A 52 5,-2.6 3,-2.0 -2,-0.3 5,-1.4 -0.834 12.0-175.1-130.0 94.6 32.7 -72.9 -11.3 74 73 H N G > 5S+ 0 0 49 -2,-0.4 3,-0.7 1,-0.3 -44,-0.2 0.687 79.8 70.2 -64.8 -19.1 34.4 -75.4 -9.1 75 74 H S G 3 5S+ 0 0 108 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.627 115.5 25.2 -74.5 -12.8 37.0 -76.1 -11.8 76 75 H K G < 5S- 0 0 115 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.030 107.6-115.8-139.0 29.7 38.4 -72.6 -11.0 77 76 H N T < 5 + 0 0 64 -3,-0.7 -53,-2.5 1,-0.2 2,-0.4 0.815 67.0 139.8 44.3 48.6 37.3 -72.0 -7.4 78 77 H T E < -CE 23 73A 18 -5,-1.4 -5,-2.6 -55,-0.2 2,-0.4 -0.973 41.2-157.2-131.2 137.1 35.0 -69.1 -8.3 79 78 H L E -CE 22 72A 0 -57,-2.1 -57,-2.3 -2,-0.4 2,-0.3 -0.903 18.8-160.3-107.6 137.5 31.6 -67.9 -7.2 80 79 H Y E -CE 21 71A 36 -9,-3.1 -9,-1.6 -2,-0.4 2,-0.3 -0.812 15.7-166.3-118.2 157.0 29.5 -65.7 -9.4 81 80 H L E -CE 20 70A 0 -61,-2.0 -61,-2.7 -2,-0.3 2,-0.6 -0.883 11.6-160.7-142.2 110.7 26.6 -63.3 -9.0 82 81 H Q E -CE 19 69A 51 -13,-2.9 -13,-1.3 -2,-0.3 -63,-0.2 -0.814 8.5-160.7 -97.3 120.8 24.8 -62.1 -12.2 83 82 H F E +CE 18 68A 0 -65,-3.3 -65,-0.8 -2,-0.6 2,-0.3 -0.634 14.8 166.4 -95.1 155.4 22.7 -59.0 -11.9 84 82AH S + 0 0 36 -17,-1.5 -67,-0.2 -2,-0.2 -68,-0.2 -0.952 61.1 18.2-163.3 151.6 19.9 -57.8 -14.2 85 82BH S S S- 0 0 74 -70,-0.7 -69,-0.2 -2,-0.3 -68,-0.1 0.860 85.8-162.8 55.3 38.0 17.1 -55.3 -14.2 86 82CH L - 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