==== 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 3QCV . 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 . 874 6 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 350 40.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 96 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.0 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 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 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 . 8 8 10 8 6 18 2 0 2 2 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 9 3 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 1 H E 0 0 217 0, 0.0 2,-0.4 0, 0.0 447,-0.0 0.000 360.0 360.0 360.0 139.4 -7.0 36.0 -3.6 2 2 H V - 0 0 20 24,-0.1 2,-0.4 2,-0.0 24,-0.2 -0.947 360.0-167.6-117.6 147.6 -5.9 38.5 -1.0 3 3 H Q E -A 25 0A 51 22,-0.9 22,-1.6 -2,-0.4 2,-0.5 -0.991 13.8-151.8-140.3 143.8 -2.4 38.5 0.4 4 4 H L E -A 24 0A 4 108,-0.4 2,-0.5 -2,-0.4 110,-0.4 -0.972 11.1-167.3-119.5 124.4 -0.6 40.1 3.3 5 5 H V E -A 23 0A 1 18,-2.3 18,-3.1 -2,-0.5 2,-0.2 -0.955 6.2-160.4-117.2 122.5 3.1 40.9 3.1 6 6 H Q E -A 22 0A 8 -2,-0.5 16,-0.2 16,-0.2 108,-0.0 -0.651 24.3-101.5 -99.4 154.6 5.0 41.9 6.3 7 7 H S - 0 0 34 14,-1.6 -1,-0.1 -2,-0.2 3,-0.1 -0.157 53.0 -73.1 -69.5 169.6 8.4 43.7 6.5 8 8 H G - 0 0 54 1,-0.2 -1,-0.1 108,-0.1 13,-0.1 -0.047 60.6 -71.3 -68.3 164.3 11.7 41.9 7.2 9 9 H A - 0 0 80 106,-0.1 2,-0.3 1,-0.1 109,-0.2 -0.224 50.8-145.5 -60.0 139.3 13.0 40.3 10.4 10 10 H E E -e 118 0B 47 107,-2.3 109,-2.1 -3,-0.1 2,-0.4 -0.798 13.9-165.8-110.5 145.1 14.0 42.8 13.1 11 11 H V E +e 119 0B 70 -2,-0.3 2,-0.3 107,-0.2 109,-0.2 -0.979 23.5 166.2-131.0 121.1 16.8 42.7 15.7 12 12 H K E -e 120 0B 57 107,-2.8 109,-2.9 -2,-0.4 6,-0.1 -0.847 31.9-119.3-132.6 165.0 16.6 45.3 18.5 13 13 H K > - 0 0 89 -2,-0.3 3,-2.0 107,-0.2 73,-0.2 -0.715 48.2 -83.2-100.6 153.5 18.1 46.1 21.9 14 14 H P T 3 S+ 0 0 67 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.306 117.8 24.9 -54.2 137.8 16.1 46.3 25.2 15 15 H G T 3 S+ 0 0 57 71,-2.6 70,-0.6 1,-0.3 72,-0.1 0.113 98.9 112.2 92.8 -19.4 14.5 49.7 25.5 16 16 H E < - 0 0 85 -3,-2.0 70,-2.6 70,-0.2 2,-0.3 -0.054 61.1-126.2 -72.6-179.7 14.4 50.4 21.8 17 17 H S - 0 0 71 68,-0.2 2,-0.3 67,-0.2 67,-0.2 -0.956 16.5-157.5-132.9 151.5 11.3 50.6 19.6 18 18 H L E - B 0 83A 5 65,-2.4 65,-2.0 -2,-0.3 2,-0.3 -0.869 8.8-163.4-124.4 162.7 10.2 48.9 16.5 19 19 H K E - B 0 82A 106 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.871 14.7-174.8-145.3 109.8 7.7 49.5 13.6 20 20 H I E - B 0 81A 0 61,-2.4 61,-2.5 -2,-0.3 2,-0.3 -0.844 13.0-139.5-109.3 144.6 6.7 46.6 11.4 21 21 H S E - B 0 80A 27 -2,-0.3 -14,-1.6 59,-0.2 2,-0.4 -0.704 12.1-167.2-107.0 154.1 4.5 46.8 8.3 22 22 H a E -AB 6 79A 1 57,-2.6 57,-3.5 -2,-0.3 2,-0.4 -0.912 16.4-161.0-140.5 104.7 1.7 44.6 6.9 23 23 H Q E -AB 5 78A 46 -18,-3.1 -18,-2.3 -2,-0.4 2,-0.3 -0.752 5.5-144.9 -97.3 136.3 0.8 45.4 3.3 24 24 H A E -A 4 0A 8 53,-3.2 2,-0.5 -2,-0.4 -20,-0.2 -0.748 9.0-163.5-103.4 140.7 -2.5 44.4 1.7 25 25 H F E +A 3 0A 51 -22,-1.6 -22,-0.9 -2,-0.3 2,-0.3 -0.873 56.1 72.0-122.7 97.8 -3.2 43.3 -1.9 26 26 H G S S- 0 0 45 -2,-0.5 2,-0.4 -24,-0.2 3,-0.3 -0.950 80.7 -73.9-176.9-173.6 -6.9 43.5 -2.5 27 27 H Y S S+ 0 0 231 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.910 102.1 23.7-107.9 137.0 -9.9 45.7 -3.0 28 28 H G > + 0 0 24 -2,-0.4 3,-1.3 2,-0.1 -1,-0.2 0.899 56.6 168.4 79.2 43.7 -11.5 47.6 -0.1 29 29 H F G > S+ 0 0 10 -3,-0.3 3,-2.2 1,-0.2 25,-0.2 0.817 73.0 68.2 -44.4 -38.1 -8.7 48.0 2.4 30 30 H I G 3 S+ 0 0 82 1,-0.3 24,-1.7 23,-0.2 -1,-0.2 0.762 98.9 48.3 -69.3 -23.8 -10.8 50.5 4.3 31 31 H N G < S+ 0 0 92 -3,-1.3 -1,-0.3 22,-0.1 71,-0.2 0.244 89.4 116.7 -95.0 10.3 -13.3 47.8 5.3 32 32 H Y < - 0 0 3 -3,-2.2 2,-0.5 -4,-0.1 22,-0.3 -0.435 55.6-150.0 -70.9 152.1 -10.6 45.4 6.5 33 33 H L - 0 0 19 67,-0.5 66,-0.5 19,-0.2 2,-0.5 -0.956 22.3-166.1-119.2 106.1 -10.3 44.3 10.1 34 34 H I E -FG 51 98B 1 17,-2.7 17,-2.5 -2,-0.5 2,-0.3 -0.832 3.0-165.2-103.5 128.1 -6.6 43.7 10.6 35 35 H E E -FG 50 97B 1 62,-3.0 62,-2.4 -2,-0.5 2,-0.4 -0.817 9.9-149.7-110.9 151.9 -5.4 41.8 13.6 36 36 H W E +FG 49 96B 0 13,-2.2 12,-2.6 -2,-0.3 13,-1.3 -0.978 20.3 172.2-119.8 133.8 -1.9 41.4 15.1 37 37 H I E -FG 47 95B 0 58,-2.5 58,-3.5 -2,-0.4 2,-0.3 -0.999 13.2-155.1-142.6 133.0 -0.9 38.3 16.9 38 38 H R E -FG 46 94B 13 8,-2.5 8,-2.5 -2,-0.4 2,-0.4 -0.821 3.4-163.0-115.5 157.4 2.5 37.2 18.3 39 39 H Q E -FG 45 93B 28 54,-2.7 54,-2.9 -2,-0.3 6,-0.1 -0.926 10.0-150.2-141.6 113.8 4.1 33.9 19.0 40 40 H M > - 0 0 33 4,-0.6 3,-2.2 -2,-0.4 52,-0.1 -0.548 50.3 -83.9 -73.8 147.0 7.1 33.1 21.2 41 41 H P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.286 115.0 5.1 -64.3 130.5 8.9 30.0 19.9 42 42 H G T 3 S+ 0 0 84 1,-0.3 2,-0.1 -3,-0.1 -2,-0.0 0.252 117.8 101.6 80.6 -9.9 7.4 26.8 21.3 43 43 H Q S < S- 0 0 124 -3,-2.2 -1,-0.3 1,-0.2 2,-0.0 -0.218 72.2 -88.8-101.6-174.6 4.6 28.9 22.9 44 44 H G - 0 0 8 1,-0.1 -4,-0.6 -3,-0.1 2,-0.4 -0.166 46.7 -81.7 -90.2-178.9 1.0 29.9 22.3 45 45 H L E -F 39 0B 7 280,-0.5 2,-0.5 -6,-0.1 279,-0.3 -0.693 35.8-161.1 -88.9 133.7 -0.7 32.7 20.4 46 46 H E E -F 38 0B 72 -8,-2.5 -8,-2.5 -2,-0.4 2,-0.5 -0.982 13.5-138.6-119.8 123.7 -1.1 36.1 22.0 47 47 H W E +F 37 0B 5 -2,-0.5 -10,-0.2 275,-0.3 3,-0.1 -0.699 24.0 174.5 -84.4 124.3 -3.6 38.5 20.6 48 48 H I E - 0 0 0 -12,-2.6 13,-2.9 -2,-0.5 2,-0.3 0.889 50.6 -49.6 -95.3 -54.0 -2.3 42.1 20.4 49 49 H G E -FH 36 60B 0 -13,-1.3 -13,-2.2 11,-0.2 2,-0.4 -0.994 35.0-123.1-174.9 170.1 -5.0 44.1 18.7 50 50 H L E -FH 35 59B 6 9,-2.5 9,-2.4 -2,-0.3 2,-0.4 -0.988 22.8-168.2-130.2 142.0 -7.5 44.8 15.9 51 51 H I E -FH 34 58B 11 -17,-2.5 -17,-2.7 -2,-0.4 7,-0.2 -0.996 17.3-157.7-134.7 140.4 -7.8 47.8 13.6 52 52 H N > - 0 0 15 5,-2.5 3,-2.3 -2,-0.4 5,-0.2 -0.907 11.9-162.1-110.9 98.2 -10.4 49.0 11.1 53 52AH P T 3 S+ 0 0 10 0, 0.0 21,-0.2 0, 0.0 -23,-0.2 0.747 85.1 61.8 -55.5 -28.1 -8.4 51.3 8.7 54 53 H G T 3 S+ 0 0 41 -24,-1.7 2,-0.2 -22,-0.3 -24,-0.1 0.412 113.4 25.9 -80.3 0.8 -11.6 53.0 7.4 55 54 H S S < S- 0 0 58 -3,-2.3 -3,-0.1 2,-0.2 0, 0.0 -0.830 93.2 -93.7-143.7-176.7 -12.6 54.4 10.9 56 55 H D S S+ 0 0 169 -2,-0.2 2,-0.2 -5,-0.1 -2,-0.0 0.553 78.1 133.4 -75.3 -6.6 -10.9 55.4 14.2 57 56 H Y + 0 0 101 -5,-0.2 -5,-2.5 -6,-0.1 2,-0.3 -0.268 19.1 151.7 -68.4 120.1 -11.5 51.9 15.5 58 57 H T E -H 51 0B 50 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.978 23.1-162.4-131.4 144.8 -8.8 50.0 17.3 59 58 H N E -H 50 0B 34 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.3 -0.998 15.8-164.4-126.4 131.7 -9.1 47.4 20.0 60 59 H Y E -H 49 0B 63 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.819 28.9-113.4-115.0 148.2 -6.1 46.6 22.1 61 60 H N >> - 0 0 16 -13,-2.9 3,-2.6 -2,-0.3 4,-1.0 -0.755 32.2-137.2 -69.0 119.2 -5.0 43.9 24.5 62 61 H E G >4 S+ 0 0 125 -2,-0.6 3,-0.5 1,-0.3 -1,-0.1 0.839 101.1 65.7 -50.7 -37.8 -4.9 45.8 27.8 63 62 H N G 34 S+ 0 0 111 1,-0.2 -1,-0.3 3,-0.1 -15,-0.1 0.654 110.6 36.2 -59.1 -16.2 -1.6 44.0 28.6 64 63 H F G X> S+ 0 0 17 -3,-2.6 4,-3.0 -16,-0.2 3,-2.2 0.499 80.3 116.0-120.4 -8.3 0.0 45.8 25.7 65 64 H K B << S+c 68 0A 138 -4,-1.0 4,-0.1 -3,-0.5 -3,-0.0 -0.433 80.3 39.5 -55.1 133.5 -1.6 49.3 25.6 66 65 H G T 34 S+ 0 0 70 2,-0.5 -1,-0.2 -2,-0.1 3,-0.1 -0.073 123.1 41.3 108.0 -35.9 1.3 51.5 26.4 67 66 H Q T <4 S+ 0 0 37 -3,-2.2 17,-1.6 1,-0.1 2,-0.4 0.722 106.0 66.6-102.7 -41.5 3.8 49.6 24.2 68 67 H A E < +cD 65 83A 5 -4,-3.0 -2,-0.5 15,-0.2 2,-0.5 -0.702 51.9 179.7 -97.3 130.4 1.6 48.8 21.2 69 68 H T E - D 0 82A 67 13,-2.5 13,-2.7 -2,-0.4 2,-0.3 -0.988 10.9-160.5-123.5 118.9 0.3 51.3 18.6 70 69 H L E + D 0 81A 8 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.775 23.8 154.1 -92.9 144.5 -1.8 50.1 15.7 71 70 H S E - D 0 80A 36 9,-1.6 9,-3.1 -2,-0.3 2,-0.3 -0.961 22.9-154.7-159.1 171.4 -2.2 52.3 12.7 72 71 H A E - D 0 79A 31 -2,-0.3 2,-0.7 7,-0.3 7,-0.2 -0.965 15.0-141.9-158.3 136.7 -2.8 52.3 8.9 73 72 H D E >>> - D 0 78A 62 5,-2.4 5,-1.5 -2,-0.3 3,-0.9 -0.889 12.1-166.1 -99.4 106.0 -2.2 54.3 5.8 74 73 H K T 345S+ 0 0 125 -2,-0.7 -1,-0.1 1,-0.2 -45,-0.1 0.705 84.6 63.8 -61.1 -23.8 -5.3 54.1 3.5 75 74 H S T 345S+ 0 0 106 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.837 116.9 25.6 -72.4 -29.2 -3.3 55.5 0.6 76 75 H S T <45S- 0 0 45 -3,-0.9 -2,-0.2 2,-0.2 -52,-0.2 0.357 101.3-122.5-115.5 4.7 -0.9 52.5 0.4 77 76 H S T <5 + 0 0 31 -4,-0.9 -53,-3.2 1,-0.2 2,-0.4 0.884 65.0 140.2 52.6 43.1 -3.1 49.8 2.0 78 77 H T E < -BD 23 73A 6 -5,-1.5 -5,-2.4 -55,-0.2 2,-0.3 -0.963 39.0-157.6-118.0 133.4 -0.5 49.2 4.7 79 78 H A E -BD 22 72A 0 -57,-3.5 -57,-2.6 -2,-0.4 2,-0.3 -0.783 14.8-151.9-102.0 155.1 -1.1 48.5 8.3 80 79 H Y E -BD 21 71A 57 -9,-3.1 -9,-1.6 -2,-0.3 2,-0.5 -0.946 14.5-158.8-130.5 147.9 1.5 49.1 11.0 81 80 H L E -BD 20 70A 0 -61,-2.5 -61,-2.4 -2,-0.3 2,-0.4 -0.984 12.9-171.9-122.3 118.6 2.5 47.8 14.4 82 81 H Q E -BD 19 69A 68 -13,-2.7 -13,-2.5 -2,-0.5 2,-0.4 -0.895 1.8-175.1-103.9 143.1 4.6 50.1 16.7 83 82 H W E -BD 18 68A 1 -65,-2.0 -65,-2.4 -2,-0.4 3,-0.3 -0.977 5.7-163.5-139.8 120.4 6.1 48.7 19.9 84 82AH S + 0 0 46 -17,-1.6 -67,-0.2 -2,-0.4 -68,-0.1 -0.588 66.8 20.6-101.5 164.7 8.0 50.9 22.4 85 82BH S S S- 0 0 76 -70,-0.6 -1,-0.2 -2,-0.2 -68,-0.2 0.892 83.2-152.5 44.3 55.0 10.3 49.9 25.3 86 82CH L - 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