==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/METAL TRANSPORT 18-NOV-08 3FB5 . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR L.G.CUELLO,V.JOGINI,D.M.CORTES,E.PEROZO . 521 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 51 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 7 3 8 2 3 5 3 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 3 3 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 1 A Q 0 0 176 0, 0.0 2,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 151.1 47.4 45.2 -21.1 2 2 A V - 0 0 103 1,-0.1 3,-0.1 24,-0.0 24,-0.1 -0.271 360.0-165.8 -53.6 122.5 50.6 44.8 -19.0 3 3 A Q + 0 0 64 1,-0.2 2,-0.5 105,-0.1 22,-0.3 0.783 67.1 41.9 -84.5 -35.1 53.7 45.8 -21.0 4 4 A L - 0 0 6 104,-0.3 2,-0.6 20,-0.2 106,-0.6 -0.964 66.3-161.9-122.0 120.1 56.7 44.4 -19.1 5 5 A Q B +A 23 0A 89 18,-2.4 18,-1.7 -2,-0.5 104,-0.1 -0.874 12.3 176.8-106.8 115.0 56.6 41.0 -17.5 6 6 A Q - 0 0 19 -2,-0.6 2,-0.2 16,-0.2 16,-0.1 -0.947 37.1-106.2-119.5 138.3 59.1 40.1 -14.8 7 7 A P - 0 0 41 0, 0.0 106,-0.1 0, 0.0 14,-0.1 -0.379 29.5-133.1 -58.8 120.6 59.4 36.9 -12.8 8 8 A G S S+ 0 0 32 104,-0.2 105,-2.9 -2,-0.2 2,-0.3 0.819 77.3 8.6 -46.8 -40.7 58.2 37.7 -9.2 9 9 A A E -d 113 0B 9 103,-0.2 2,-0.3 196,-0.1 105,-0.2 -0.953 49.0-175.4-146.1 165.0 61.1 36.0 -7.5 10 10 A E E -d 114 0B 68 103,-1.3 105,-1.7 -2,-0.3 2,-0.3 -0.822 15.5-151.9-161.6 116.6 64.5 34.4 -7.8 11 11 A L E -d 115 0B 48 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.666 18.2-179.0 -91.4 146.1 66.6 32.8 -5.1 12 12 A V E -d 116 0B 9 103,-2.3 105,-1.2 -2,-0.3 3,-0.1 -0.983 23.0-133.1-150.6 135.7 70.4 32.7 -5.3 13 13 A K > - 0 0 118 -2,-0.3 3,-3.1 103,-0.2 73,-0.3 -0.675 48.8 -84.3 -87.3 138.7 73.2 31.3 -3.1 14 14 A P T 3 S+ 0 0 74 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.084 119.0 20.6 -43.5 131.8 76.2 33.6 -2.4 15 15 A G T 3 S+ 0 0 50 71,-2.5 70,-0.5 1,-0.4 72,-0.1 0.095 104.9 109.4 93.2 -21.6 78.7 33.5 -5.2 16 16 A A < - 0 0 41 -3,-3.1 70,-2.3 70,-0.2 -1,-0.4 -0.133 59.0-136.2 -77.5 178.8 76.1 32.2 -7.6 17 17 A S - 0 0 64 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -1.000 11.1-162.9-144.3 141.8 74.5 34.1 -10.5 18 18 A V E - B 0 83A 12 65,-1.5 65,-2.9 -2,-0.3 2,-0.7 -0.921 14.4-142.7-123.6 148.5 71.0 34.6 -11.9 19 19 A K E - B 0 82A 103 -2,-0.3 63,-0.3 63,-0.2 -2,-0.0 -0.881 23.1-159.1-112.7 98.3 69.8 35.9 -15.3 20 20 A L E - B 0 81A 2 61,-2.2 61,-1.3 -2,-0.7 2,-0.3 -0.205 8.5-152.3 -70.2 166.7 66.6 38.0 -14.8 21 21 A S E - B 0 80A 35 59,-0.2 2,-0.2 -14,-0.1 59,-0.2 -0.815 18.7-169.3-136.2 175.8 64.2 38.6 -17.6 22 22 A a E - B 0 79A 4 57,-0.6 57,-2.8 -2,-0.3 2,-0.5 -0.694 12.3-160.3-170.3 104.9 61.7 41.1 -18.9 23 23 A K E -AB 5 78A 99 -18,-1.7 -18,-2.4 55,-0.2 55,-0.2 -0.853 14.6-148.3-100.8 131.4 59.4 40.3 -21.8 24 24 A A + 0 0 29 53,-3.5 2,-0.3 -2,-0.5 -20,-0.2 -0.224 20.2 167.1 -88.9 178.0 57.8 43.2 -23.6 25 25 A S + 0 0 40 -22,-0.3 2,-0.3 2,-0.2 52,-0.0 -0.931 43.3 49.4-178.9 165.6 54.5 43.8 -25.5 26 26 A G S S+ 0 0 45 -2,-0.3 2,-0.2 -24,-0.1 -24,-0.0 -0.679 105.0 1.8 90.0-149.9 52.4 46.7 -26.9 27 27 A Y - 0 0 186 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.2 -0.477 67.4-174.8 -75.4 142.6 54.2 49.2 -29.1 28 28 A T + 0 0 79 -2,-0.2 2,-0.3 -4,-0.1 -2,-0.0 -0.999 4.9 174.8-139.2 141.1 57.9 48.7 -30.0 29 29 A F > - 0 0 111 -2,-0.3 3,-0.7 1,-0.0 25,-0.2 -0.818 44.1-111.4-135.6 176.0 60.4 50.9 -31.9 30 30 A T T 3 S+ 0 0 78 -2,-0.3 24,-0.1 1,-0.2 -1,-0.0 0.504 114.7 64.1 -88.3 -4.0 64.0 50.9 -32.7 31 31 A S T 3 S+ 0 0 31 22,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.340 78.9 120.3 -97.6 6.3 64.4 53.9 -30.5 32 32 A D < - 0 0 8 -3,-0.7 22,-0.4 68,-0.1 2,-0.4 -0.551 42.3-167.9 -81.7 135.2 63.5 51.9 -27.4 33 33 A W E -E 99 0B 0 66,-2.8 66,-3.2 -2,-0.3 2,-0.5 -0.966 9.2-151.4-119.8 133.7 65.8 51.6 -24.4 34 34 A I E -EF 98 51B 20 17,-2.3 17,-1.5 -2,-0.4 2,-0.2 -0.930 18.3-167.0-106.7 124.5 65.2 49.1 -21.6 35 35 A H E -EF 97 50B 0 62,-1.9 62,-1.6 -2,-0.5 2,-0.4 -0.716 11.5-143.7-109.6 161.7 66.6 50.1 -18.2 36 36 A W E -EF 96 49B 1 13,-1.8 12,-2.5 -2,-0.2 13,-0.8 -0.987 12.7-167.3-128.7 128.7 67.1 48.2 -15.0 37 37 A V E -EF 95 47B 1 58,-3.2 58,-2.7 -2,-0.4 2,-0.2 -0.961 7.8-151.5-124.5 126.8 66.7 49.6 -11.5 38 38 A K E -EF 94 46B 25 8,-2.7 8,-2.4 -2,-0.5 2,-0.3 -0.619 14.5-179.5 -89.5 145.4 67.8 48.1 -8.3 39 39 A Q E -E 93 0B 21 54,-1.4 54,-2.5 -2,-0.2 6,-0.1 -0.801 12.5-157.0-152.9 106.8 65.9 48.9 -5.0 40 40 A R > - 0 0 89 4,-0.5 3,-1.0 -2,-0.3 52,-0.1 -0.540 45.8 -82.7 -80.0 146.9 66.9 47.5 -1.6 41 41 A P T 3 S+ 0 0 112 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.213 115.5 9.9 -52.6 134.4 64.1 47.4 1.0 42 42 A G T 3 S+ 0 0 84 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 -0.210 114.6 88.6 90.6 -43.5 63.7 50.7 2.7 43 43 A H S < S- 0 0 125 -3,-1.0 -1,-0.2 -2,-0.5 278,-0.0 -0.284 75.4-104.2 -85.8 171.4 66.0 52.6 0.3 44 44 A G - 0 0 23 276,-0.2 -4,-0.5 1,-0.2 2,-0.2 0.036 47.6 -57.3 -84.1-166.8 65.2 54.3 -3.0 45 45 A L - 0 0 13 274,-0.3 2,-0.4 -6,-0.1 -6,-0.2 -0.491 41.2-166.8 -79.2 137.4 65.8 53.6 -6.7 46 46 A E E -F 38 0B 75 -8,-2.4 -8,-2.7 -2,-0.2 271,-0.1 -0.939 18.3-134.6-130.1 110.5 69.2 52.9 -8.2 47 47 A W E +F 37 0B 8 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.359 24.8 177.4 -58.9 135.4 69.8 53.0 -12.0 48 48 A I E - 0 0 11 -12,-2.5 13,-2.7 1,-0.4 2,-0.3 0.782 51.1 -52.8-109.6 -45.8 71.9 49.9 -13.0 49 49 A G E -FG 36 60B 0 -13,-0.8 -13,-1.8 11,-0.3 -1,-0.4 -0.978 43.8-127.9-178.6 179.8 72.3 50.1 -16.8 50 50 A E E -FG 35 59B 0 9,-2.7 9,-1.4 -2,-0.3 2,-0.3 -0.961 12.0-164.2-146.4 161.6 70.5 50.4 -20.1 51 51 A I E -FG 34 58B 0 -17,-1.5 -17,-2.3 -2,-0.3 7,-0.2 -0.998 17.1-145.5-150.3 148.0 70.3 48.6 -23.4 52 52 A I E >>> - G 0 57B 0 5,-2.3 4,-4.6 -2,-0.3 3,-1.1 -0.860 13.2-169.0-115.1 94.0 69.0 49.3 -27.0 53 53 A P T 345S+ 0 0 24 0, 0.0 21,-0.2 0, 0.0 2,-0.2 0.819 82.5 68.0 -50.8 -37.9 67.7 46.0 -28.4 54 54 A S T 345S+ 0 0 30 -22,-0.4 -24,-0.1 1,-0.2 -21,-0.0 0.094 126.6 10.7 -74.0 26.6 67.4 47.4 -31.9 55 55 A Y T <45S- 0 0 145 -3,-1.1 -1,-0.2 -2,-0.2 -25,-0.0 0.157 98.6-126.8-168.4 -36.8 71.2 47.5 -31.9 56 56 A G T <5 + 0 0 42 -4,-4.6 2,-0.1 1,-0.3 16,-0.1 0.338 56.0 141.6 94.9 -7.0 72.2 45.6 -28.8 57 57 A R E < -G 52 0B 92 -5,-0.5 -5,-2.3 -6,-0.1 2,-0.4 -0.422 26.9-172.0 -74.3 144.9 74.5 48.2 -27.1 58 58 A A E -G 51 0B 23 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.993 11.4-165.2-139.5 144.3 74.4 48.6 -23.3 59 59 A N E -G 50 0B 11 -9,-1.4 -9,-2.7 -2,-0.4 2,-0.3 -0.921 14.0-150.9-124.9 149.0 75.9 51.1 -20.9 60 60 A Y E -G 49 0B 47 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.3 -0.904 28.3 -93.6-125.9 153.8 76.2 50.6 -17.1 61 61 A N - 0 0 20 -13,-2.7 -12,-0.0 -2,-0.3 0, 0.0 -0.469 32.1-161.7 -64.3 116.9 76.3 52.8 -14.0 62 62 A E S S+ 0 0 132 -2,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.558 80.6 66.2 -80.0 -10.8 80.0 53.4 -13.3 63 63 A K S S+ 0 0 161 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.970 98.6 55.4 -72.4 -55.7 79.5 54.5 -9.6 64 64 A I S S- 0 0 38 1,-0.1 2,-0.3 -16,-0.1 -4,-0.0 -0.236 103.2 -90.3 -73.3 163.1 78.3 51.1 -8.4 65 65 A Q - 0 0 156 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 -0.585 45.6-110.8 -76.6 135.4 80.3 47.9 -8.9 66 66 A K + 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 -0.546 55.5 148.7 -73.2 113.7 79.4 46.1 -12.1 67 67 A K + 0 0 66 -2,-0.7 17,-1.7 16,-0.0 2,-0.3 0.171 54.3 72.5-125.0 11.2 77.6 42.9 -11.3 68 68 A A E -C 83 0A 4 15,-0.2 2,-0.3 -20,-0.1 15,-0.2 -0.884 50.4-166.4-132.3 162.3 75.4 42.8 -14.4 69 69 A T E -C 82 0A 72 13,-0.9 13,-1.6 -2,-0.3 2,-0.2 -0.862 20.9-147.6-147.7 106.5 75.5 42.2 -18.2 70 70 A L E +C 81 0A 9 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.491 22.8 163.8 -82.6 146.3 72.6 43.2 -20.3 71 71 A T E -C 80 0A 57 9,-1.9 9,-3.5 -2,-0.2 2,-0.3 -0.954 15.8-156.1-150.5 159.1 71.4 41.4 -23.4 72 72 A A E -C 79 0A 35 -2,-0.3 2,-0.2 7,-0.3 7,-0.2 -0.894 11.9-145.4-137.1 168.1 68.2 41.4 -25.5 73 73 A D E >>> -C 78 0A 66 5,-1.3 4,-1.2 -2,-0.3 5,-1.0 -0.676 10.1-161.2-140.3 82.7 66.4 39.1 -27.9 74 74 A K G >45S+ 0 0 114 -21,-0.2 3,-0.5 -2,-0.2 -1,-0.1 0.716 85.3 51.2 -27.3 -56.2 64.7 41.0 -30.7 75 75 A S G 345S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.924 117.6 34.6 -54.8 -57.4 62.3 38.1 -31.7 76 76 A S G <45S- 0 0 58 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.439 103.3-128.4 -80.6 -2.1 60.8 37.3 -28.3 77 77 A S T <<5 + 0 0 45 -4,-1.2 -53,-3.5 -3,-0.5 2,-0.4 0.903 60.4 142.8 53.4 45.3 61.0 40.9 -27.2 78 78 A T E < -BC 23 73A 22 -5,-1.0 -5,-1.3 -55,-0.2 2,-0.4 -0.966 39.0-157.8-123.9 130.1 62.8 39.9 -24.1 79 79 A A E -BC 22 72A 5 -57,-2.8 -57,-0.6 -2,-0.4 2,-0.4 -0.832 12.4-154.3-102.8 141.7 65.6 41.7 -22.3 80 80 A F E -BC 21 71A 46 -9,-3.5 -9,-1.9 -2,-0.4 2,-0.6 -0.960 9.3-164.4-122.8 129.8 68.0 39.8 -20.0 81 81 A M E -BC 20 70A 0 -61,-1.3 -61,-2.2 -2,-0.4 2,-0.7 -0.951 10.6-157.5-111.3 119.3 70.0 41.0 -17.1 82 82 A Q E -BC 19 69A 51 -13,-1.6 -13,-0.9 -2,-0.6 2,-0.6 -0.854 7.2-170.2 -97.8 113.8 72.7 38.7 -15.9 83 83 A L E -BC 18 68A 3 -65,-2.9 -65,-1.5 -2,-0.7 2,-0.3 -0.922 12.7-162.5-104.4 120.8 73.8 39.3 -12.3 84 84 A S + 0 0 59 -17,-1.7 -67,-0.2 -2,-0.6 -68,-0.1 -0.770 54.3 4.0-110.2 154.5 76.9 37.3 -11.3 85 85 A S S S- 0 0 67 -70,-0.5 -1,-0.2 -2,-0.3 -68,-0.2 0.939 81.0-160.1 40.8 77.9 78.6 36.3 -8.0 86 86 A L - 0 0 1 -70,-2.3 -71,-2.5 -73,-0.3 2,-0.3 -0.393 16.9-176.0 -86.9 160.1 75.9 37.7 -5.7 87 87 A T >> - 0 0 48 -73,-0.2 3,-2.1 -2,-0.1 4,-0.6 -0.896 50.9 -83.0-143.8 170.2 76.1 38.6 -2.0 88 88 A S G >4 S+ 0 0 93 1,-0.3 3,-1.3 -2,-0.3 28,-0.2 0.831 127.0 63.6 -44.4 -37.5 73.6 39.7 0.7 89 89 A E G 34 S+ 0 0 110 1,-0.3 -1,-0.3 -49,-0.0 -3,-0.0 0.846 95.7 56.5 -57.5 -37.7 74.2 43.2 -0.7 90 90 A D G <4 S+ 0 0 6 -3,-2.1 2,-0.3 26,-0.0 -1,-0.3 0.594 79.9 110.3 -74.3 -10.9 72.7 42.2 -4.1 91 91 A S << + 0 0 27 -3,-1.3 2,-0.3 -4,-0.6 24,-0.2 -0.516 47.8 96.3 -70.2 124.7 69.4 41.1 -2.6 92 92 A A E S- H 0 114B 5 22,-1.0 22,-2.2 -2,-0.3 2,-0.4 -0.970 76.6 -66.4 177.2-177.2 66.6 43.5 -3.6 93 93 A V E -EH 39 113B 33 -54,-2.5 -54,-1.4 -2,-0.3 2,-0.5 -0.811 42.8-159.1 -95.3 135.9 63.8 44.2 -6.1 94 94 A Y E -EH 38 112B 6 18,-1.7 18,-2.0 -2,-0.4 2,-0.3 -0.965 5.7-167.1-119.3 119.3 64.9 44.8 -9.7 95 95 A Y E -E 37 0B 12 -58,-2.7 -58,-3.2 -2,-0.5 2,-0.3 -0.775 7.7-155.6-103.3 148.9 62.6 46.7 -12.1 96 96 A a E -E 36 0B 0 -2,-0.3 13,-2.9 -60,-0.2 2,-0.3 -0.877 19.5-175.0-113.9 149.4 63.0 46.9 -15.8 97 97 A A E -EI 35 108B 1 -62,-1.6 -62,-1.9 -2,-0.3 2,-0.5 -0.959 23.4-120.2-143.0 161.2 61.3 49.8 -17.6 98 98 A R E -EI 34 107B 9 9,-2.1 8,-1.0 -2,-0.3 9,-0.8 -0.918 23.3-171.1-109.5 130.4 60.8 51.0 -21.1 99 99 A E E -EI 33 105B 0 -66,-3.2 -66,-2.8 -2,-0.5 6,-0.2 -0.981 20.3-146.9-122.0 123.2 62.2 54.4 -22.2 100 100 A R - 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