==== 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 3QCU . 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) . 39930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 65.1 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 . 348 39.8 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 . 89 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 2.9 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 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 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 20 0 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 0 175 0, 0.0 2,-0.3 0, 0.0 448,-0.0 0.000 360.0 360.0 360.0 119.6 50.3 -36.1 -3.7 2 2 H V - 0 0 28 24,-0.0 2,-0.3 22,-0.0 24,-0.1 -0.750 360.0-175.9 -87.0 139.3 49.7 -38.5 -0.8 3 3 H Q E -A 25 0A 34 22,-0.7 22,-1.1 -2,-0.3 2,-0.4 -0.943 17.5-151.8-135.2 149.5 46.1 -38.5 0.6 4 4 H L E -A 24 0A 4 108,-0.4 2,-0.5 -2,-0.3 110,-0.5 -0.999 12.4-163.8-124.4 124.1 44.5 -40.4 3.6 5 5 H V E -A 23 0A 3 18,-2.3 18,-3.0 -2,-0.4 2,-0.2 -0.951 6.7-158.2-114.5 123.0 40.7 -41.1 3.4 6 6 H Q E -A 22 0A 7 -2,-0.5 16,-0.2 16,-0.2 108,-0.0 -0.593 24.0 -98.3 -99.0 157.6 38.8 -42.0 6.5 7 7 H S - 0 0 29 14,-1.5 -1,-0.1 -2,-0.2 3,-0.1 -0.172 53.1 -80.1 -69.4 165.8 35.5 -43.9 6.9 8 8 H G - 0 0 55 1,-0.2 -1,-0.1 108,-0.1 13,-0.1 -0.055 59.2 -68.8 -69.0 165.5 32.2 -42.1 7.5 9 9 H A - 0 0 81 106,-0.1 2,-0.4 107,-0.1 109,-0.2 -0.151 51.8-148.9 -52.4 143.5 30.8 -40.6 10.7 10 10 H E E -e 118 0B 50 107,-2.6 109,-2.5 -3,-0.1 2,-0.5 -0.959 12.9-162.4-124.2 137.2 29.8 -43.1 13.3 11 11 H V E +e 119 0B 72 -2,-0.4 2,-0.3 107,-0.2 109,-0.2 -0.985 23.2 175.5-117.8 124.8 27.0 -43.0 16.0 12 12 H K E -e 120 0B 51 107,-3.2 109,-2.8 -2,-0.5 6,-0.1 -0.904 28.1-124.4-130.4 152.5 27.4 -45.5 18.8 13 13 H K > - 0 0 92 -2,-0.3 3,-2.0 107,-0.2 73,-0.2 -0.695 47.7 -86.0 -90.8 149.8 25.8 -46.5 22.0 14 14 H P T 3 S+ 0 0 68 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.267 116.8 26.9 -48.9 134.1 27.7 -46.6 25.3 15 15 H G T 3 S+ 0 0 57 71,-3.1 70,-0.5 1,-0.3 72,-0.1 0.163 97.4 114.7 95.2 -18.9 29.4 -50.0 25.8 16 16 H E < - 0 0 83 -3,-2.0 70,-2.8 70,-0.2 -1,-0.3 -0.206 59.7-124.9 -77.4 171.4 29.6 -50.7 22.0 17 17 H S - 0 0 70 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.761 19.0-160.5-110.1 160.3 32.8 -51.1 19.9 18 18 H L E - B 0 83A 8 65,-2.2 65,-2.2 -2,-0.3 2,-0.3 -0.961 10.4-165.9-135.0 160.5 33.9 -49.3 16.8 19 19 H K E - B 0 82A 107 -2,-0.3 2,-0.3 63,-0.2 63,-0.2 -0.925 15.5-177.9-142.8 116.2 36.4 -49.9 13.9 20 20 H I E - B 0 81A 1 61,-2.4 61,-2.2 -2,-0.3 2,-0.3 -0.874 14.9-134.3-118.7 151.6 37.2 -47.0 11.6 21 21 H S E - B 0 80A 30 -2,-0.3 -14,-1.5 59,-0.2 2,-0.4 -0.694 13.3-164.0-113.2 159.3 39.5 -47.0 8.6 22 22 H a E -AB 6 79A 1 57,-2.3 57,-2.9 -2,-0.3 2,-0.5 -0.890 18.6-159.2-140.5 101.9 42.3 -44.8 7.1 23 23 H Q E -AB 5 78A 44 -18,-3.0 -18,-2.3 -2,-0.4 2,-0.3 -0.729 4.7-154.6 -93.4 126.1 43.0 -45.6 3.5 24 24 H A E -A 4 0A 4 53,-3.0 2,-0.4 -2,-0.5 -20,-0.2 -0.698 5.7-161.6 -98.9 150.8 46.3 -44.6 2.0 25 25 H F E +A 3 0A 46 -22,-1.1 -22,-0.7 -2,-0.3 2,-0.2 -0.958 54.4 63.2-132.8 114.4 47.1 -43.9 -1.7 26 26 H G S S- 0 0 43 -2,-0.4 3,-0.4 -24,-0.1 -2,-0.1 -0.608 85.2 -81.0 151.4 156.6 50.8 -44.0 -2.8 27 27 H Y S S+ 0 0 236 -2,-0.2 -2,-0.1 1,-0.2 0, 0.0 -0.361 102.8 48.3 -70.3 160.0 53.4 -46.7 -2.9 28 28 H G > + 0 0 39 -2,-0.0 3,-1.9 1,-0.0 4,-0.3 0.665 52.7 149.4 88.2 21.4 55.3 -47.6 0.2 29 29 H F G > + 0 0 7 -3,-0.4 3,-1.6 1,-0.3 25,-0.2 0.802 69.0 68.2 -49.3 -34.3 52.5 -48.0 2.8 30 30 H I G 3 S+ 0 0 81 1,-0.3 24,-1.5 23,-0.2 -1,-0.3 0.759 101.3 45.5 -64.9 -24.3 54.7 -50.6 4.5 31 31 H N G < S+ 0 0 100 -3,-1.9 -1,-0.3 22,-0.1 -2,-0.2 0.397 90.0 116.3 -99.4 4.0 57.2 -47.9 5.6 32 32 H Y < - 0 0 4 -3,-1.6 2,-0.5 -4,-0.3 22,-0.3 -0.271 57.5-145.1 -66.9 154.4 54.5 -45.4 6.8 33 33 H L - 0 0 23 67,-0.5 66,-0.6 19,-0.2 2,-0.5 -0.963 23.6-167.8-116.9 106.2 54.2 -44.2 10.3 34 34 H I E -FG 51 98B 1 17,-2.7 17,-2.6 -2,-0.5 2,-0.3 -0.859 3.5-170.0-100.7 127.3 50.5 -43.8 10.9 35 35 H E E -FG 50 97B 0 62,-2.7 62,-2.3 -2,-0.5 2,-0.4 -0.849 12.3-147.2-111.5 153.4 49.3 -41.9 14.0 36 36 H W E +FG 49 96B 0 13,-2.1 12,-2.7 -2,-0.3 13,-1.3 -0.976 20.2 174.4-119.4 135.5 45.8 -41.6 15.3 37 37 H I E -FG 47 95B 1 58,-2.5 58,-3.4 -2,-0.4 2,-0.3 -0.998 13.1-155.3-142.0 128.3 44.8 -38.4 17.1 38 38 H R E -FG 46 94B 11 8,-2.9 8,-3.2 -2,-0.4 2,-0.4 -0.800 1.6-154.8-108.2 158.0 41.4 -37.4 18.5 39 39 H Q E -FG 45 93B 26 54,-2.7 54,-2.6 -2,-0.3 3,-0.2 -0.966 9.2-149.1-138.2 117.9 40.0 -34.0 19.1 40 40 H M > - 0 0 24 4,-1.0 3,-2.7 -2,-0.4 52,-0.2 -0.274 55.8 -43.9 -79.7 160.8 37.2 -33.3 21.6 41 41 H P T 3 S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.023 118.5 -37.6 -26.4 99.8 34.6 -30.5 21.3 42 42 H G T 3 S+ 0 0 94 -3,-0.2 2,-0.1 1,-0.1 -2,-0.1 0.836 123.1 113.9 37.0 47.5 36.6 -27.4 20.2 43 43 H Q < - 0 0 115 -3,-2.7 -1,-0.1 1,-0.3 2,-0.0 -0.312 65.4 -46.6-129.8-160.8 39.3 -28.8 22.5 44 44 H G - 0 0 3 -2,-0.1 -4,-1.0 -3,-0.1 2,-0.5 -0.133 52.0-101.3 -79.8 172.2 42.8 -30.3 22.7 45 45 H L E -F 39 0B 8 280,-0.4 2,-0.6 -6,-0.2 279,-0.3 -0.817 29.4-160.5 -96.8 129.6 44.5 -33.0 20.6 46 46 H E E -F 38 0B 69 -8,-3.2 -8,-2.9 -2,-0.5 2,-0.4 -0.972 12.4-141.2-114.1 116.3 44.7 -36.4 22.3 47 47 H W E +F 37 0B 5 -2,-0.6 -10,-0.2 -10,-0.2 3,-0.1 -0.674 20.6 178.9 -79.3 126.5 47.3 -38.7 20.8 48 48 H I E - 0 0 0 -12,-2.7 13,-3.0 -2,-0.4 2,-0.3 0.866 49.1 -69.7 -95.0 -49.3 46.2 -42.3 20.7 49 49 H G E -FH 36 60B 0 -13,-1.3 -13,-2.1 11,-0.3 2,-0.4 -0.985 33.9-105.8 172.7-177.5 49.1 -44.1 19.1 50 50 H L E -FH 35 59B 5 9,-2.4 9,-2.1 -2,-0.3 2,-0.4 -0.972 22.5-169.1-137.7 144.4 51.4 -44.9 16.2 51 51 H I E -FH 34 58B 11 -17,-2.6 -17,-2.7 -2,-0.4 7,-0.2 -1.000 15.5-156.0-137.6 139.8 51.7 -47.9 13.9 52 52 H N > - 0 0 5 5,-2.2 3,-1.8 -2,-0.4 5,-0.3 -0.942 12.0-159.2-108.4 106.6 54.3 -49.0 11.3 53 52AH P T 3 S+ 0 0 10 0, 0.0 -23,-0.2 0, 0.0 21,-0.2 0.752 85.0 66.0 -61.9 -22.7 52.4 -51.4 9.0 54 53 H G T 3 S+ 0 0 45 -24,-1.5 2,-0.2 -22,-0.3 -23,-0.1 0.528 113.9 14.7 -76.2 -8.0 55.7 -53.0 7.8 55 54 H S S < S- 0 0 59 -3,-1.8 -3,-0.1 2,-0.2 0, 0.0 -0.755 91.9 -88.2-143.9-170.4 56.5 -54.5 11.2 56 55 H D S S+ 0 0 165 -2,-0.2 2,-0.2 -5,-0.1 -2,-0.0 0.364 77.7 135.3 -85.0 2.8 54.9 -55.3 14.6 57 56 H Y + 0 0 108 -5,-0.3 -5,-2.2 -6,-0.1 2,-0.3 -0.351 20.0 146.4 -63.8 121.8 55.9 -51.8 15.7 58 57 H T E -H 51 0B 52 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.972 26.5-165.4-142.5 153.7 53.1 -50.0 17.6 59 58 H N E -H 50 0B 40 -9,-2.1 -9,-2.4 -2,-0.3 2,-0.4 -0.968 13.3-164.6-140.1 132.7 53.1 -47.5 20.5 60 59 H Y E -H 49 0B 66 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.3 -0.891 30.0-110.7-118.4 143.3 50.0 -46.6 22.4 61 60 H N > - 0 0 16 -13,-3.0 3,-2.3 -2,-0.4 4,-0.4 -0.630 32.5-137.2 -63.8 117.3 49.0 -43.9 24.8 62 61 H E G > S+ 0 0 141 -2,-0.5 3,-1.0 1,-0.3 -1,-0.2 0.785 100.2 66.8 -50.1 -34.2 48.8 -45.9 28.1 63 62 H N G 3 S+ 0 0 108 1,-0.2 -1,-0.3 3,-0.0 -15,-0.1 0.698 111.2 33.7 -62.3 -22.4 45.5 -44.0 28.9 64 63 H F G X> S+ 0 0 18 -3,-2.3 4,-3.1 -16,-0.2 3,-1.9 0.260 83.8 129.3-115.6 6.6 43.8 -45.8 26.0 65 64 H K B <4 S+c 68 0A 138 -3,-1.0 4,-0.1 -4,-0.4 -3,-0.0 -0.441 78.3 21.4 -65.8 131.4 45.6 -49.2 26.1 66 65 H G T 34 S+ 0 0 61 2,-0.9 -1,-0.3 -2,-0.2 3,-0.1 0.510 122.6 58.5 81.4 -1.3 42.9 -51.9 26.0 67 66 H Q T <4 S+ 0 0 71 -3,-1.9 17,-1.9 1,-0.2 2,-0.3 0.518 104.6 56.4-102.1 -45.9 40.3 -49.6 24.6 68 67 H A E < +cD 65 83A 3 -4,-3.1 -2,-0.9 15,-0.2 2,-0.4 -0.600 58.5 179.3 -91.6 140.1 42.3 -48.9 21.5 69 68 H T E - D 0 82A 64 13,-2.1 13,-2.6 -2,-0.3 2,-0.4 -0.965 11.2-159.4-136.7 120.7 43.8 -51.4 19.0 70 69 H L E + D 0 81A 8 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.843 21.4 161.5 -98.8 136.3 45.8 -50.2 16.0 71 70 H S E - D 0 80A 35 9,-1.9 9,-2.8 -2,-0.4 2,-0.3 -0.947 20.3-152.7-145.9 166.4 46.1 -52.5 13.0 72 71 H A E - D 0 79A 31 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.998 11.4-147.5-149.2 141.5 47.0 -52.4 9.3 73 72 H D E >>> - D 0 78A 61 5,-3.2 5,-1.8 -2,-0.3 4,-0.9 -0.917 10.8-171.2-109.3 104.7 46.2 -54.3 6.1 74 73 H K T 345S+ 0 0 125 -2,-0.7 -1,-0.1 1,-0.2 -45,-0.1 0.789 83.7 60.4 -65.1 -30.5 49.3 -54.2 3.8 75 74 H S T 345S+ 0 0 112 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.783 119.2 27.5 -71.8 -25.3 47.4 -55.8 0.9 76 75 H S T <45S- 0 0 38 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.388 102.1-124.4-112.7 0.4 44.8 -52.9 0.9 77 76 H S T <5 + 0 0 32 -4,-0.9 -53,-3.0 1,-0.2 2,-0.5 0.892 64.2 140.6 53.0 44.2 47.0 -50.1 2.3 78 77 H T E < -BD 23 73A 4 -5,-1.8 -5,-3.2 -55,-0.2 2,-0.3 -0.964 39.4-159.8-121.7 129.5 44.5 -49.5 5.0 79 78 H A E -BD 22 72A 0 -57,-2.9 -57,-2.3 -2,-0.5 2,-0.4 -0.781 15.4-158.5 -99.0 152.3 45.1 -48.6 8.7 80 79 H Y E -BD 21 71A 59 -9,-2.8 -9,-1.9 -2,-0.3 2,-0.5 -0.966 15.2-156.9-133.5 145.7 42.4 -49.2 11.3 81 80 H L E -BD 20 70A 0 -61,-2.2 -61,-2.4 -2,-0.4 2,-0.4 -0.992 12.7-169.3-117.2 122.2 41.5 -48.0 14.8 82 81 H Q E -BD 19 69A 73 -13,-2.6 -13,-2.1 -2,-0.5 2,-0.4 -0.900 2.2-172.5-104.0 141.8 39.3 -50.2 17.0 83 82 H W E -BD 18 68A 3 -65,-2.2 -65,-2.2 -2,-0.4 3,-0.3 -0.976 5.5-163.8-136.6 118.6 37.9 -48.8 20.2 84 82AH S + 0 0 42 -17,-1.9 -67,-0.2 -2,-0.4 -68,-0.1 -0.612 65.7 22.0-100.7 163.0 36.1 -51.1 22.6 85 82BH S S S- 0 0 72 -70,-0.5 -1,-0.2 -2,-0.2 -68,-0.2 0.930 84.0-152.9 47.9 58.3 33.7 -50.2 25.6 86 82CH L - 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