==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 17-JAN-11 3QCT . COMPND 2 MOLECULE: LT3015 ANTIBODY FAB FRAGMENT, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.K.FLEMING,J.M.WOJCIAK,M.-A.CAMPBELL,T.HUXFORD . 437 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 39.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 49 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 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 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 6 3 3 9 1 0 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 0 4 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 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 E 0 0 207 0, 0.0 2,-0.6 0, 0.0 110,-0.0 0.000 360.0 360.0 360.0 142.1 25.2 -24.0 33.0 2 2 H V + 0 0 31 22,-0.0 2,-0.2 24,-0.0 24,-0.1 -0.725 360.0 172.9 -84.3 125.5 24.0 -21.0 31.0 3 3 H Q - 0 0 118 -2,-0.6 22,-1.6 108,-0.1 2,-0.4 -0.635 29.2-115.0-129.2 174.3 20.3 -20.7 31.0 4 4 H L E -A 24 0A 7 108,-0.7 2,-0.5 -2,-0.2 110,-0.3 -0.919 18.1-156.1-118.2 141.6 17.6 -18.3 30.0 5 5 H V E -A 23 0A 56 18,-2.7 18,-3.1 -2,-0.4 2,-0.2 -0.963 12.7-163.5-119.1 123.5 15.3 -16.4 32.2 6 6 H Q E -A 22 0A 9 -2,-0.5 16,-0.2 16,-0.2 14,-0.0 -0.648 23.2 -99.9-103.0 157.9 11.9 -15.2 31.0 7 7 H S - 0 0 32 14,-1.6 -1,-0.1 -2,-0.2 3,-0.1 -0.061 51.8 -81.1 -63.2 169.6 9.4 -12.6 32.2 8 8 H G - 0 0 53 1,-0.2 -1,-0.1 108,-0.1 13,-0.1 -0.192 58.8 -60.9 -84.8 167.9 6.2 -13.5 34.2 9 9 H A - 0 0 77 106,-0.1 2,-0.4 1,-0.1 109,-0.2 0.040 48.8-146.1 -45.0 145.5 2.8 -14.8 33.2 10 10 H E E -e 118 0B 41 107,-3.1 109,-2.6 -3,-0.1 2,-0.5 -0.945 12.8-170.0-118.8 138.3 0.6 -12.7 31.0 11 11 H V E +e 119 0B 65 -2,-0.4 2,-0.3 107,-0.2 109,-0.2 -0.976 22.6 167.6-127.6 116.3 -3.2 -12.4 31.1 12 12 H K E -e 120 0B 45 107,-3.6 109,-2.6 -2,-0.5 6,-0.1 -0.915 33.2-124.0-133.1 155.2 -4.6 -10.5 28.1 13 13 H K > - 0 0 88 -2,-0.3 3,-2.2 107,-0.2 73,-0.2 -0.677 48.5 -88.2 -91.9 149.4 -7.9 -9.8 26.4 14 14 H P T 3 S+ 0 0 64 0, 0.0 73,-0.2 0, 0.0 3,-0.1 -0.384 118.2 32.7 -56.1 134.2 -8.4 -10.6 22.7 15 15 H G T 3 S+ 0 0 55 71,-2.3 70,-0.6 1,-0.4 72,-0.1 0.070 96.3 111.7 102.3 -21.9 -7.3 -7.6 20.7 16 16 H E < - 0 0 81 -3,-2.2 70,-2.8 70,-0.2 -1,-0.4 -0.252 61.9-121.2 -81.2 170.1 -4.5 -6.5 23.1 17 17 H S - 0 0 76 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.552 20.2-153.8-106.6 174.4 -0.8 -6.7 22.6 18 18 H L E - B 0 83A 9 65,-1.4 65,-1.8 -2,-0.2 2,-0.3 -0.967 11.6-169.0-147.3 157.1 2.0 -8.4 24.5 19 19 H K E + B 0 82A 127 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.807 14.2 176.0-154.2 109.0 5.7 -8.1 25.2 20 20 H I E - B 0 81A 0 61,-2.2 61,-2.4 -2,-0.3 2,-0.3 -0.844 14.0-145.3-120.0 152.9 7.7 -10.9 26.8 21 21 H S E - B 0 80A 29 -2,-0.3 -14,-1.6 59,-0.2 2,-0.4 -0.820 12.8-165.9-125.6 158.8 11.4 -11.1 27.5 22 22 H a E -AB 6 79A 1 57,-2.1 57,-3.3 -2,-0.3 2,-0.5 -0.910 15.0-168.0-147.2 102.8 14.2 -13.7 27.6 23 23 H Q E -AB 5 78A 73 -18,-3.1 -18,-2.7 -2,-0.4 2,-0.5 -0.847 17.1-136.6-101.8 128.2 17.4 -12.7 29.3 24 24 H A E -A 4 0A 8 53,-2.6 -20,-0.2 -2,-0.5 5,-0.1 -0.740 12.9-170.5 -81.2 129.1 20.5 -14.8 29.0 25 25 H F + 0 0 143 -22,-1.6 2,-0.2 -2,-0.5 -1,-0.1 0.015 69.9 46.5-102.1 20.4 22.3 -15.1 32.4 26 26 H G S S- 0 0 22 -23,-0.2 3,-0.3 51,-0.1 -2,-0.1 -0.630 95.8 -12.6-132.2 172.2 25.3 -16.6 30.7 27 27 H Y S S- 0 0 136 -2,-0.2 2,-0.5 1,-0.2 -3,-0.0 0.711 94.8 -28.2 69.5-162.3 27.6 -16.4 27.9 28 28 H G > - 0 0 30 1,-0.1 3,-1.2 2,-0.0 4,-0.2 -0.860 44.9-170.7-122.3 111.8 27.4 -14.3 24.8 29 29 H F G > S+ 0 0 4 -2,-0.5 3,-1.5 1,-0.3 25,-0.2 0.738 76.4 68.8 -65.4 -36.6 24.0 -13.4 23.6 30 30 H I G 3 S+ 0 0 79 1,-0.3 24,-1.9 23,-0.2 -1,-0.3 0.699 100.2 49.1 -67.7 -20.1 25.0 -11.8 20.3 31 31 H N G < S+ 0 0 84 -3,-1.2 -1,-0.3 22,-0.1 71,-0.2 0.468 88.7 115.7 -94.5 -2.7 26.0 -15.2 18.8 32 32 H Y < - 0 0 0 -3,-1.5 2,-0.9 -4,-0.2 22,-0.2 -0.361 60.1-145.1 -71.6 142.5 22.9 -17.1 19.8 33 33 H L - 0 0 19 67,-0.4 66,-0.8 19,-0.1 2,-0.6 -0.888 31.9-167.2 -97.3 97.6 20.3 -18.6 17.5 34 34 H I E -FG 51 98B 1 17,-2.7 17,-2.6 -2,-0.9 2,-0.3 -0.783 4.5-166.6 -94.9 121.9 17.3 -17.8 19.8 35 35 H E E -FG 50 97B 0 62,-2.9 62,-2.0 -2,-0.6 2,-0.5 -0.811 13.5-146.7-105.0 148.4 14.1 -19.5 18.9 36 36 H W E +FG 49 96B 0 13,-2.3 12,-2.7 -2,-0.3 13,-1.3 -0.971 24.4 172.6-110.2 128.9 10.6 -18.8 20.2 37 37 H I E -FG 47 95B 0 58,-2.3 58,-3.5 -2,-0.5 2,-0.4 -0.999 15.2-155.2-138.5 130.6 8.4 -21.9 20.5 38 38 H R E -FG 46 94B 6 8,-2.8 8,-3.1 -2,-0.4 2,-0.6 -0.891 6.6-146.0-112.2 144.9 4.9 -22.0 22.1 39 39 H Q E -FG 45 93B 32 54,-3.0 54,-2.8 -2,-0.4 6,-0.2 -0.952 20.7-133.5-112.6 121.2 3.3 -25.1 23.6 40 40 H M > - 0 0 11 4,-1.8 3,-2.2 -2,-0.6 52,-0.2 -0.303 34.7 -90.0 -77.8 163.5 -0.5 -25.2 23.2 41 41 H P T 3 S- 0 0 96 0, 0.0 51,-0.1 0, 0.0 -1,-0.1 0.680 116.9 -7.0 -60.5 -41.3 -2.8 -26.1 26.1 42 42 H G T 3 S+ 0 0 78 2,-0.0 -2,-0.1 0, 0.0 2,-0.0 -0.059 126.8 94.2-122.0 30.7 -2.8 -29.9 25.6 43 43 H Q S < S- 0 0 115 -3,-2.2 3,-0.1 1,-0.2 283,-0.0 -0.121 72.7 -81.4-118.7-162.4 -0.9 -29.7 22.4 44 44 H G - 0 0 17 1,-0.1 -4,-1.8 -5,-0.1 2,-0.4 0.102 56.0 -74.2 -86.5-159.1 2.2 -29.8 20.4 45 45 H L E -F 39 0B 17 280,-0.5 2,-0.5 -6,-0.2 279,-0.3 -0.831 34.7-158.9-105.1 136.5 4.9 -27.3 19.8 46 46 H E E -F 38 0B 66 -8,-3.1 -8,-2.8 -2,-0.4 2,-0.5 -0.992 16.7-137.3-115.8 124.7 4.3 -24.4 17.4 47 47 H W E +F 37 0B 5 -2,-0.5 -10,-0.2 275,-0.3 3,-0.1 -0.718 22.7 179.6 -85.2 126.4 7.5 -22.8 16.1 48 48 H I E - 0 0 0 -12,-2.7 13,-2.8 -2,-0.5 2,-0.3 0.886 48.2 -65.3 -93.4 -50.7 7.1 -19.0 16.2 49 49 H G E -FH 36 60B 0 -13,-1.3 -13,-2.3 11,-0.2 -1,-0.3 -0.982 37.1-110.1 176.7-179.9 10.4 -17.7 14.8 50 50 H L E -FH 35 59B 6 9,-1.9 9,-1.8 -2,-0.3 2,-0.4 -0.988 19.5-171.0-137.9 144.4 14.2 -17.2 15.2 51 51 H I E -FH 34 58B 0 -17,-2.6 -17,-2.7 -2,-0.3 7,-0.2 -0.998 13.7-162.8-132.9 138.9 16.5 -14.3 15.9 52 52 H N E >> - H 0 57B 10 5,-1.6 4,-2.2 -2,-0.4 5,-0.6 -0.996 15.3-156.0-110.0 116.2 20.3 -13.9 15.9 53 52AH P T 45S+ 0 0 2 0, 0.0 -23,-0.2 0, 0.0 -22,-0.1 0.903 86.2 63.7 -62.5 -42.3 20.9 -10.7 17.9 54 53 H G T 45S+ 0 0 37 -24,-1.9 -23,-0.1 1,-0.2 -24,-0.1 0.930 120.0 19.9 -38.0 -71.8 24.3 -10.1 16.1 55 54 H S T 45S- 0 0 95 -25,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.745 97.5-126.1 -72.3 -28.8 22.8 -9.7 12.6 56 55 H D T <5 + 0 0 98 -4,-2.2 2,-0.1 1,-0.3 -2,-0.1 0.552 51.6 165.2 72.4 15.9 19.2 -8.9 13.6 57 56 H Y E < -H 52 0B 113 -5,-0.6 -5,-1.6 -6,-0.0 2,-0.4 -0.408 12.5-175.7 -57.9 133.1 18.3 -11.7 11.3 58 57 H T E -H 51 0B 47 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -1.000 16.3-172.6-135.8 137.3 14.7 -12.8 11.8 59 58 H N E -H 50 0B 32 -9,-1.8 -9,-1.9 -2,-0.4 2,-0.4 -1.000 13.8-161.1-126.3 133.9 12.7 -15.6 10.4 60 59 H Y E -H 49 0B 39 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.913 26.9-115.4-118.0 137.2 8.9 -15.8 11.1 61 60 H N >> - 0 0 13 -13,-2.8 3,-2.5 -2,-0.4 4,-0.8 -0.607 35.9-128.8 -60.1 121.9 6.4 -18.6 10.9 62 61 H E G >4 S+ 0 0 149 -2,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.827 104.3 63.8 -48.6 -42.2 4.2 -17.2 8.1 63 62 H N G 34 S+ 0 0 108 1,-0.2 -1,-0.3 4,-0.0 -15,-0.1 0.744 111.6 35.9 -53.7 -26.7 1.0 -17.9 10.3 64 63 H F G X> S+ 0 0 16 -3,-2.5 4,-3.2 -16,-0.2 3,-2.1 0.477 84.9 125.9-110.7 -1.0 2.3 -15.4 12.9 65 64 H K B << S+c 68 0A 125 -3,-1.0 4,-0.1 -4,-0.8 -3,-0.0 -0.280 79.2 19.5 -61.5 136.4 3.9 -12.8 10.6 66 65 H G T 34 S+ 0 0 56 2,-0.7 -1,-0.3 1,-0.1 3,-0.1 0.630 123.9 60.6 70.2 8.4 2.6 -9.3 11.3 67 66 H Q T <4 S+ 0 0 65 -3,-2.1 17,-1.9 1,-0.2 2,-0.2 0.463 102.0 56.5-112.4 -45.5 1.3 -10.5 14.6 68 67 H A E < -cD 65 83A 3 -4,-3.2 -2,-0.7 15,-0.2 2,-0.4 -0.596 59.1-175.2 -92.3 143.5 4.8 -11.4 16.0 69 68 H T E - D 0 82A 61 13,-2.5 13,-3.2 -2,-0.2 2,-0.4 -0.969 7.4-161.5-136.7 120.1 7.9 -9.3 16.3 70 69 H L E + D 0 81A 6 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.824 21.8 160.9 -96.1 136.5 11.3 -10.6 17.5 71 70 H S E - D 0 80A 36 9,-1.7 9,-2.5 -2,-0.4 2,-0.4 -0.930 23.9-142.7-145.9 169.2 13.9 -8.0 18.7 72 71 H A E - D 0 79A 26 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.999 9.3-149.8-141.1 133.3 17.0 -8.0 20.8 73 72 H D E >>> - D 0 78A 53 5,-3.3 5,-1.6 -2,-0.4 4,-0.8 -0.866 15.5-173.2 -99.1 97.1 18.6 -5.6 23.3 74 73 H K T 345S+ 0 0 126 -2,-0.8 -1,-0.1 1,-0.2 -44,-0.1 0.704 80.0 61.0 -63.6 -22.0 22.3 -6.2 22.8 75 74 H S T 345S+ 0 0 107 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.847 115.8 28.2 -75.5 -34.6 23.1 -4.0 25.8 76 75 H S T <45S- 0 0 42 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.321 103.7-118.8-107.8 7.3 21.2 -6.1 28.4 77 76 H S T <5 + 0 0 34 -4,-0.8 -53,-2.6 1,-0.2 2,-0.4 0.850 68.2 140.5 55.6 37.9 21.5 -9.6 26.7 78 77 H T E < -BD 23 73A 7 -5,-1.6 -5,-3.3 -55,-0.2 2,-0.3 -0.946 40.8-156.8-119.0 129.0 17.7 -9.7 26.5 79 78 H A E -BD 22 72A 0 -57,-3.3 -57,-2.1 -2,-0.4 2,-0.3 -0.814 15.9-155.9 -97.2 142.1 15.6 -11.1 23.6 80 79 H Y E -BD 21 71A 61 -9,-2.5 -9,-1.7 -2,-0.3 2,-0.5 -0.913 14.1-160.0-120.9 147.8 11.9 -9.9 23.2 81 80 H L E -BD 20 70A 0 -61,-2.4 -61,-2.2 -2,-0.3 2,-0.3 -0.967 14.8-171.6-121.7 112.1 8.8 -11.3 21.6 82 81 H Q E -BD 19 69A 68 -13,-3.2 -13,-2.5 -2,-0.5 2,-0.3 -0.793 3.2-176.4 -99.0 151.5 6.1 -8.7 20.8 83 82 H W E -BD 18 68A 4 -65,-1.8 -65,-1.4 -2,-0.3 3,-0.3 -0.910 5.0-164.4-152.3 115.8 2.7 -9.7 19.7 84 82AH S + 0 0 54 -17,-1.9 -67,-0.2 -2,-0.3 -68,-0.1 -0.509 67.9 21.2 -98.7 170.3 -0.3 -7.6 18.6 85 82BH S S S- 0 0 68 -70,-0.6 -1,-0.2 -2,-0.2 -68,-0.2 0.880 82.0-154.0 37.2 58.1 -4.0 -8.4 18.2 86 82CH L - 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