==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 11-MAR-09 3GKZ . COMPND 2 MOLECULE: ANTI-METHAMPHETAMINE SINGLE CHAIN FV; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR R.CELIKEL,E.C.PETERSON,M.OWENS,K.I.VARUGHESE . 233 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 38.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 3 5 0 0 6 2 0 0 0 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 2 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 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 9 A E 0 0 153 0, 0.0 26,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -17.0 1.3 3.1 32.1 2 10 A V E -A 26 0A 18 24,-0.2 2,-0.4 2,-0.0 24,-0.2 -0.901 360.0-178.8-149.0 115.8 2.6 0.1 30.1 3 11 A Q E -A 25 0A 132 22,-3.2 22,-2.7 -2,-0.3 2,-0.4 -0.924 6.9-163.0-117.9 141.4 6.2 -0.5 29.1 4 12 A L E -A 24 0A 16 -2,-0.4 106,-0.5 104,-0.3 2,-0.4 -0.936 5.3-174.1-123.8 145.1 7.5 -3.4 27.0 5 13 A Q E -A 23 0A 110 18,-1.3 18,-2.7 -2,-0.4 2,-0.2 -0.942 11.0-151.9-144.2 118.6 11.1 -4.7 26.6 6 14 A E E +A 22 0A 20 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.598 18.3 175.6 -88.6 149.9 12.2 -7.4 24.2 7 15 A S E +A 21 0A 56 14,-2.2 14,-2.9 -2,-0.2 105,-0.1 -0.994 18.5 99.4-153.8 150.1 15.2 -9.6 24.8 8 16 A G - 0 0 38 -2,-0.3 12,-0.1 12,-0.2 105,-0.1 -0.879 69.2 -32.1 155.8 175.3 17.0 -12.6 23.3 9 17 A P - 0 0 75 0, 0.0 3,-0.1 0, 0.0 10,-0.0 -0.202 37.9-151.5 -57.1 145.0 20.0 -13.7 21.1 10 18 A S S S+ 0 0 77 1,-0.1 105,-2.2 104,-0.1 2,-0.4 0.509 82.5 44.6 -94.4 -7.3 21.1 -11.2 18.4 11 19 A L E +d 115 0B 100 103,-0.2 2,-0.3 105,-0.0 105,-0.2 -1.000 62.2 175.1-141.2 138.5 22.4 -14.0 16.2 12 20 A V E -d 116 0B 5 103,-2.1 105,-3.7 -2,-0.4 3,-0.1 -0.997 27.2-122.8-143.3 141.8 20.9 -17.4 15.3 13 21 A K > - 0 0 143 -2,-0.3 3,-1.9 103,-0.2 72,-0.2 -0.553 43.5 -87.6 -84.6 149.6 22.1 -20.2 12.9 14 22 A P T 3 S+ 0 0 66 0, 0.0 72,-0.2 0, 0.0 -1,-0.1 -0.155 114.5 21.6 -53.9 149.8 19.9 -21.4 10.0 15 23 A S T 3 S+ 0 0 101 70,-2.7 69,-0.6 1,-0.3 71,-0.1 0.267 101.9 119.3 74.1 -12.7 17.5 -24.2 10.9 16 24 A Q < - 0 0 82 -3,-1.9 69,-2.2 69,-0.2 2,-0.4 -0.252 70.0-105.9 -77.2 169.3 17.8 -23.1 14.5 17 25 A T - 0 0 51 66,-0.2 2,-0.5 67,-0.2 66,-0.2 -0.833 23.6-141.7-101.6 135.5 14.9 -21.9 16.6 18 26 A L E - B 0 82A 3 64,-3.5 64,-2.8 -2,-0.4 2,-0.4 -0.841 20.0-177.5 -97.4 128.5 14.5 -18.2 17.5 19 27 A S E + B 0 81A 65 -2,-0.5 2,-0.3 62,-0.2 62,-0.2 -0.984 4.2 173.5-129.8 121.3 13.2 -17.4 21.0 20 28 A L E - B 0 80A 2 60,-2.4 60,-2.2 -2,-0.4 2,-0.4 -0.907 16.2-147.8-125.0 153.8 12.5 -13.9 22.2 21 29 A T E -AB 7 79A 33 -14,-2.9 -14,-2.2 -2,-0.3 2,-0.5 -0.954 1.9-158.2-124.6 142.6 11.0 -12.6 25.4 22 30 A a E -AB 6 78A 1 56,-2.6 56,-2.0 -2,-0.4 2,-0.6 -0.973 9.8-158.3-120.7 113.3 8.9 -9.5 26.1 23 31 A S E -AB 5 77A 25 -18,-2.7 -18,-1.3 -2,-0.5 2,-0.4 -0.843 11.1-155.7 -94.7 121.8 8.9 -8.3 29.7 24 32 A V E +A 4 0A 27 52,-2.8 2,-0.3 -2,-0.6 -20,-0.2 -0.814 16.7 171.9-102.2 137.8 5.9 -6.1 30.4 25 33 A T E +A 3 0A 62 -22,-2.7 -22,-3.2 -2,-0.4 2,-0.3 -0.941 30.8 59.2-138.5 159.2 5.8 -3.6 33.2 26 34 A G E S-A 2 0A 54 -2,-0.3 -24,-0.2 -24,-0.2 3,-0.1 -0.763 85.2 -3.3 121.0-168.0 3.4 -0.8 34.2 27 35 A D S S- 0 0 114 -26,-2.1 -2,-0.0 -2,-0.3 0, 0.0 -0.131 81.7 -89.5 -59.1 155.3 -0.3 -0.6 35.3 28 36 A S - 0 0 116 1,-0.1 2,-0.4 -26,-0.0 -1,-0.1 -0.029 39.3-137.9 -59.6 168.7 -2.5 -3.7 35.4 29 37 A V - 0 0 42 -3,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.990 21.5-175.1-135.5 142.2 -4.5 -4.8 32.4 30 38 A T S S- 0 0 110 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.288 75.7 -9.3-117.2 7.2 -8.1 -6.1 32.0 31 39 A S S S+ 0 0 20 2,-0.0 2,-0.2 22,-0.0 -1,-0.1 -0.957 77.9 97.6-178.4-174.2 -8.0 -6.8 28.3 32 40 A G - 0 0 5 -2,-0.3 21,-1.8 -3,-0.1 2,-0.3 -0.472 54.8 -84.3 110.1 180.0 -6.0 -6.3 25.1 33 41 A Y E -EF 52 98C 76 65,-2.7 65,-2.1 19,-0.2 2,-0.6 -0.978 15.9-146.7-135.9 145.7 -3.5 -8.1 22.9 34 42 A W E -EF 51 97C 34 17,-2.7 17,-1.8 -2,-0.3 2,-0.3 -0.964 28.9-171.3-113.3 116.0 0.2 -8.6 22.9 35 43 A S E -EF 50 96C 10 61,-2.9 61,-2.3 -2,-0.6 2,-0.5 -0.759 21.4-141.7-111.3 155.1 1.6 -8.7 19.3 36 44 A W E +EF 49 95C 0 13,-2.3 12,-2.1 -2,-0.3 13,-1.1 -0.972 25.3 175.1-114.8 123.4 4.9 -9.5 17.7 37 45 A I E -EF 47 94C 2 57,-3.0 57,-3.2 -2,-0.5 2,-0.3 -0.995 9.9-161.7-129.4 133.6 5.9 -7.3 14.8 38 46 A R E -EF 46 93C 12 8,-2.4 8,-3.4 -2,-0.4 2,-0.5 -0.858 8.1-150.9-118.2 155.1 9.2 -7.4 12.9 39 47 A Q E -EF 45 92C 7 53,-2.3 53,-2.3 -2,-0.3 6,-0.2 -0.977 15.3-148.5-127.3 116.7 10.9 -5.0 10.6 40 48 A F > - 0 0 49 4,-2.5 3,-2.2 -2,-0.5 4,-0.2 -0.272 39.8 -78.8 -77.6 164.8 13.2 -6.3 7.9 41 49 A P T 3 S+ 0 0 106 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 -0.486 126.4 46.4 -64.2 134.0 16.3 -4.4 6.6 42 50 A G T 3 S- 0 0 70 -2,-0.1 -2,-0.1 1,-0.1 0, 0.0 0.197 126.0 -95.7 112.2 -12.2 14.8 -1.9 4.2 43 51 A N S < S+ 0 0 79 -3,-2.2 2,-0.4 1,-0.2 -1,-0.1 0.534 70.5 154.6 79.8 12.6 12.3 -1.1 6.9 44 52 A K - 0 0 83 -4,-0.2 -4,-2.5 -3,-0.2 2,-0.3 -0.577 35.8-140.4 -72.9 126.7 9.3 -3.2 5.8 45 53 A L E -E 39 0C 2 179,-0.4 178,-0.5 -2,-0.4 2,-0.4 -0.724 15.2-164.5 -91.7 139.6 7.1 -4.1 8.8 46 54 A D E -E 38 0C 28 -8,-3.4 -8,-2.4 -2,-0.3 2,-0.7 -0.983 14.9-139.3-128.7 119.9 5.6 -7.6 9.1 47 55 A Y E +E 37 0C 10 174,-0.4 -10,-0.2 -2,-0.4 3,-0.1 -0.697 22.1 178.7 -81.8 115.8 2.8 -8.5 11.5 48 56 A M E - 0 0 0 -12,-2.1 12,-2.8 -2,-0.7 2,-0.3 0.875 43.6 -90.2 -85.7 -42.2 3.6 -11.9 13.0 49 57 A G E -EG 36 59C 0 -13,-1.1 -13,-2.3 10,-0.2 -1,-0.3 -0.947 34.4-114.5 155.4-174.2 0.6 -12.5 15.4 50 58 A Y E -EG 35 58C 37 8,-2.1 8,-1.8 -2,-0.3 2,-0.4 -0.954 3.9-142.3-151.2 168.4 -0.7 -12.0 18.9 51 59 A I E -EG 34 57C 8 -17,-1.8 -17,-2.7 -2,-0.3 6,-0.2 -0.993 32.4-142.6-132.8 129.1 -1.8 -13.6 22.1 52 60 A S E > -E 33 0C 11 4,-2.6 3,-2.2 -2,-0.4 -19,-0.2 -0.248 32.2 -91.6 -88.4 179.1 -4.8 -11.9 23.8 53 61 A Y T 3 S+ 0 0 111 -21,-1.8 -20,-0.1 1,-0.3 -1,-0.1 0.765 131.2 47.1 -58.5 -27.7 -5.8 -11.2 27.4 54 62 A R T 3 S- 0 0 206 -22,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.101 123.1-104.6-102.7 19.6 -7.5 -14.6 27.3 55 63 A G < + 0 0 25 -3,-2.2 2,-0.3 1,-0.2 -2,-0.1 0.618 69.7 149.9 69.9 11.1 -4.6 -16.5 25.7 56 64 A S - 0 0 68 1,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.611 30.7-156.1 -75.7 136.5 -6.3 -16.5 22.3 57 65 A T E -G 51 0C 67 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.841 18.6-171.4-118.5 155.1 -3.7 -16.5 19.5 58 66 A Y E -G 50 0C 44 -8,-1.8 -8,-2.1 -2,-0.3 2,-0.4 -0.984 10.6-165.2-140.5 130.1 -3.6 -15.5 15.9 59 67 A Y E -G 49 0C 56 -2,-0.4 -10,-0.2 -10,-0.2 5,-0.1 -0.952 30.0-108.2-122.2 138.8 -0.6 -16.2 13.6 60 68 A N >> - 0 0 5 -12,-2.8 3,-3.0 -2,-0.4 4,-1.7 -0.435 33.2-126.4 -60.4 126.8 0.2 -14.7 10.2 61 69 A P T 34 S+ 0 0 29 0, 0.0 4,-0.3 0, 0.0 61,-0.2 0.794 107.4 65.2 -46.0 -35.9 -0.5 -17.6 7.7 62 70 A S T 34 S+ 0 0 59 1,-0.2 -2,-0.1 59,-0.2 59,-0.1 0.613 115.9 28.3 -67.3 -9.8 3.0 -17.2 6.3 63 71 A L T X> S+ 0 0 2 -3,-3.0 3,-3.0 -15,-0.1 4,-1.6 0.529 84.6 120.7-121.8 -18.4 4.5 -18.3 9.6 64 72 A K T 3< S+ 0 0 130 -4,-1.7 3,-0.3 1,-0.3 57,-0.1 0.631 80.2 37.4 -13.2 -68.0 1.6 -20.5 10.9 65 73 A S T 34 S+ 0 0 83 55,-1.2 -1,-0.3 -4,-0.3 56,-0.1 0.691 121.1 45.2 -70.9 -20.9 3.6 -23.8 11.3 66 74 A R T <4 S+ 0 0 52 -3,-3.0 17,-2.7 54,-0.2 2,-0.3 0.651 101.3 76.5 -97.1 -18.3 6.9 -22.2 12.5 67 75 A I E < +C 82 0A 11 -4,-1.6 2,-0.3 -3,-0.3 15,-0.2 -0.691 44.0 173.5-105.8 151.2 5.5 -19.8 15.1 68 76 A S E -C 81 0A 29 13,-1.7 13,-2.3 -2,-0.3 2,-0.5 -0.968 10.3-164.8-149.7 130.1 4.2 -19.9 18.6 69 77 A I E +C 80 0A 2 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.982 20.8 170.5-119.7 122.3 3.3 -17.1 20.9 70 78 A T E -C 79 0A 73 9,-1.2 9,-3.0 -2,-0.5 2,-0.3 -0.762 20.0-138.4-126.9 173.9 2.9 -17.9 24.6 71 79 A R E -C 78 0A 111 -2,-0.2 2,-0.3 7,-0.2 7,-0.2 -0.969 12.9-167.7-136.6 149.3 2.5 -16.2 27.9 72 80 A D E > > +C 77 0A 48 5,-2.4 5,-1.5 -2,-0.3 3,-1.2 -0.773 15.5 179.0-133.1 83.0 3.8 -16.5 31.5 73 81 A T G > 5S+ 0 0 98 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.847 73.3 67.7 -55.9 -39.1 1.4 -14.2 33.4 74 82 A S G 3 5S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.837 114.8 30.0 -53.6 -33.5 3.0 -14.9 36.7 75 83 A K G < 5S- 0 0 116 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.128 111.1-119.0-113.6 21.6 6.1 -13.1 35.5 76 84 A N T < 5 + 0 0 99 -3,-2.0 -52,-2.8 1,-0.2 2,-0.3 0.874 66.8 131.8 42.9 56.6 4.4 -10.7 33.2 77 85 A Q E < -BC 23 72A 47 -5,-1.5 -5,-2.4 -54,-0.2 2,-0.4 -0.949 43.5-155.9-134.9 155.2 6.1 -11.9 30.0 78 86 A V E -BC 22 71A 8 -56,-2.0 -56,-2.6 -2,-0.3 2,-0.3 -0.966 19.4-149.5-126.4 141.9 5.1 -12.9 26.5 79 87 A Y E -BC 21 70A 52 -9,-3.0 -9,-1.2 -2,-0.4 2,-0.4 -0.837 10.1-158.7-119.5 156.5 7.2 -15.2 24.4 80 88 A L E -BC 20 69A 1 -60,-2.2 -60,-2.4 -2,-0.3 2,-0.4 -0.999 9.6-176.9-131.2 126.3 7.9 -15.6 20.7 81 89 A Q E -BC 19 68A 72 -13,-2.3 -13,-1.7 -2,-0.4 2,-0.5 -0.992 1.5-179.8-126.5 124.2 9.2 -18.9 19.2 82 90 A L E -BC 18 67A 0 -64,-2.8 -64,-3.5 -2,-0.4 3,-0.3 -0.964 14.4-154.8-127.2 113.6 10.1 -19.2 15.5 83 91 A K + 0 0 100 -17,-2.7 -66,-0.2 -2,-0.5 -67,-0.1 -0.376 65.6 18.2 -86.1 164.0 11.4 -22.5 14.3 84 92 A S S S- 0 0 78 -69,-0.6 -1,-0.2 1,-0.1 -67,-0.2 0.873 81.3-166.4 44.3 56.3 13.6 -23.3 11.2 85 93 A V - 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