==== 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 10-NOV-08 3F7V . 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) . 24008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 67.9 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 . 52 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 0 175 0, 0.0 2,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 151.1 125.0 -122.1 21.1 2 2 A V - 0 0 104 1,-0.1 3,-0.1 24,-0.0 24,-0.1 -0.271 360.0-165.8 -53.7 122.5 128.1 -121.7 19.0 3 3 A Q + 0 0 65 1,-0.2 2,-0.5 105,-0.1 22,-0.3 0.783 67.1 42.0 -84.7 -34.9 131.2 -122.7 21.0 4 4 A L - 0 0 4 104,-0.3 2,-0.6 20,-0.2 106,-0.6 -0.964 66.3-161.9-122.1 120.1 134.3 -121.3 19.0 5 5 A Q B +A 23 0A 88 18,-2.4 18,-1.7 -2,-0.5 104,-0.1 -0.873 12.3 176.9-106.8 115.0 134.2 -117.9 17.4 6 6 A Q - 0 0 19 -2,-0.6 2,-0.2 16,-0.2 16,-0.1 -0.947 37.1-106.2-119.4 138.3 136.7 -117.1 14.7 7 7 A P - 0 0 41 0, 0.0 106,-0.1 0, 0.0 14,-0.1 -0.380 29.5-133.1 -58.9 120.6 137.0 -113.9 12.6 8 8 A G S S+ 0 0 33 104,-0.2 105,-2.9 -2,-0.2 2,-0.3 0.819 77.3 8.7 -46.8 -40.7 135.8 -114.7 9.1 9 9 A A E -d 113 0B 8 103,-0.2 2,-0.3 196,-0.1 105,-0.2 -0.954 49.0-175.4-146.0 165.1 138.7 -113.1 7.4 10 10 A E E -d 114 0B 68 103,-1.3 105,-1.7 -2,-0.3 2,-0.3 -0.823 15.5-152.0-161.6 116.5 142.1 -111.5 7.7 11 11 A L E -d 115 0B 45 -2,-0.3 2,-0.3 103,-0.2 105,-0.2 -0.666 18.2-179.0 -91.4 146.0 144.2 -109.9 4.9 12 12 A V E -d 116 0B 9 103,-2.3 105,-1.2 -2,-0.3 3,-0.1 -0.982 23.0-133.1-150.6 135.6 148.0 -109.8 5.1 13 13 A K > - 0 0 114 -2,-0.3 3,-3.1 103,-0.2 73,-0.3 -0.675 48.8 -84.3 -87.2 138.8 150.9 -108.5 2.9 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 20.5 -43.4 131.8 153.8 -110.8 2.3 15 15 A G T 3 S+ 0 0 50 71,-2.5 70,-0.5 1,-0.4 72,-0.1 0.094 104.8 109.4 93.1 -21.5 156.3 -110.6 5.1 16 16 A A < - 0 0 41 -3,-3.1 70,-2.3 70,-0.2 -1,-0.4 -0.131 59.0-136.2 -77.5 178.9 153.7 -109.3 7.4 17 17 A S - 0 0 64 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -1.000 11.2-163.0-144.4 141.8 152.1 -111.1 10.4 18 18 A V E - B 0 83A 12 65,-1.5 65,-2.9 -2,-0.3 2,-0.7 -0.921 14.4-142.7-123.7 148.6 148.5 -111.6 11.7 19 19 A K E - B 0 82A 103 -2,-0.3 63,-0.3 63,-0.2 -2,-0.0 -0.881 23.1-159.1-112.8 98.4 147.4 -112.8 15.1 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 -70.3 166.6 144.2 -114.9 14.7 21 21 A S E - B 0 80A 34 59,-0.2 2,-0.2 -14,-0.1 59,-0.2 -0.815 18.7-169.2-136.1 175.9 141.8 -115.5 17.5 22 22 A a E - B 0 79A 3 57,-0.6 57,-2.8 -2,-0.3 2,-0.5 -0.695 12.3-160.3-170.3 104.9 139.3 -118.0 18.8 23 23 A K E -AB 5 78A 100 -18,-1.7 -18,-2.4 55,-0.2 55,-0.2 -0.854 14.6-148.3-100.8 131.4 137.0 -117.2 21.7 24 24 A A + 0 0 26 53,-3.5 2,-0.3 -2,-0.5 -20,-0.2 -0.222 20.2 167.1 -89.0 178.0 135.3 -120.1 23.6 25 25 A S + 0 0 42 -22,-0.3 2,-0.3 2,-0.2 52,-0.0 -0.932 43.3 49.5-178.8 165.6 132.0 -120.6 25.4 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 90.1-150.0 130.0 -123.5 26.9 27 27 A Y - 0 0 187 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.2 -0.478 67.4-174.8 -75.3 142.6 131.7 -126.0 29.1 28 28 A T + 0 0 79 -2,-0.2 2,-0.3 -4,-0.1 -2,-0.0 -0.999 4.9 174.8-139.2 141.1 135.4 -125.4 30.0 29 29 A F > - 0 0 109 -2,-0.3 3,-0.7 1,-0.0 25,-0.2 -0.817 44.1-111.4-135.6 176.0 137.9 -127.6 32.0 30 30 A T T 3 S+ 0 0 101 -2,-0.3 24,-0.1 1,-0.2 -1,-0.0 0.503 114.7 64.2 -88.4 -3.9 141.6 -127.6 32.8 31 31 A S T 3 S+ 0 0 34 22,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.341 78.9 120.2 -97.7 6.3 141.9 -130.7 30.6 32 32 A D < - 0 0 12 -3,-0.7 22,-0.4 68,-0.1 2,-0.4 -0.552 42.3-168.0 -81.7 135.1 141.0 -128.7 27.5 33 33 A W E -E 99 0B 1 66,-2.8 66,-3.2 -2,-0.3 2,-0.5 -0.966 9.2-151.4-119.7 133.9 143.3 -128.4 24.5 34 34 A I E -EF 98 51B 16 17,-2.3 17,-1.5 -2,-0.4 2,-0.2 -0.929 18.4-167.0-106.8 124.6 142.7 -125.9 21.7 35 35 A H E -EF 97 50B 0 62,-1.9 62,-1.6 -2,-0.5 2,-0.4 -0.715 11.5-143.7-109.7 161.7 144.2 -127.0 18.3 36 36 A W E -EF 96 49B 0 13,-1.8 12,-2.5 -2,-0.2 13,-0.8 -0.988 12.7-167.3-128.7 128.6 144.7 -125.2 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 7.8-151.5-124.5 126.7 144.3 -126.7 11.6 38 38 A K E -EF 94 46B 26 8,-2.7 8,-2.4 -2,-0.5 2,-0.3 -0.621 14.5-179.5 -89.5 145.4 145.4 -125.2 8.3 39 39 A Q E -E 93 0B 20 54,-1.4 54,-2.5 -2,-0.2 6,-0.1 -0.800 12.5-156.9-152.9 106.8 143.6 -126.0 5.1 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 -79.9 147.0 144.5 -124.7 1.6 41 41 A P T 3 S+ 0 0 111 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.212 115.5 9.9 -52.6 134.4 141.7 -124.6 -0.9 42 42 A G T 3 S+ 0 0 83 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 -0.211 114.6 88.5 90.6 -43.5 141.3 -128.0 -2.6 43 43 A H S < S- 0 0 125 -3,-1.0 -1,-0.2 -2,-0.5 278,-0.0 -0.285 75.4-104.2 -85.8 171.4 143.6 -129.8 -0.1 44 44 A G - 0 0 24 1,-0.2 -4,-0.5 276,-0.2 2,-0.2 0.038 47.6 -57.3 -84.1-166.8 142.9 -131.4 3.2 45 45 A L - 0 0 13 274,-0.3 2,-0.4 -6,-0.1 -6,-0.2 -0.493 41.2-166.9 -79.2 137.4 143.4 -130.7 6.9 46 46 A E E -F 38 0B 75 -8,-2.4 -8,-2.7 -2,-0.2 271,-0.1 -0.940 18.3-134.6-130.1 110.5 146.8 -130.0 8.4 47 47 A W E +F 37 0B 10 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.360 24.8 177.4 -58.9 135.5 147.4 -130.0 12.2 48 48 A I E - 0 0 13 -12,-2.5 13,-2.7 1,-0.4 2,-0.3 0.783 51.1 -52.9-109.7 -45.8 149.5 -126.9 13.1 49 49 A G E -FG 36 60B 0 -13,-0.8 -13,-1.8 11,-0.3 -1,-0.4 -0.978 43.8-127.8-178.5 180.0 149.8 -127.0 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 12.0-164.2-146.5 161.6 148.1 -127.3 20.2 51 51 A I E -FG 34 58B 1 -17,-1.5 -17,-2.3 -2,-0.3 7,-0.2 -0.997 17.0-145.5-150.3 148.0 147.9 -125.4 23.5 52 52 A I E >>> - G 0 57B 8 5,-2.3 4,-4.6 -2,-0.3 3,-1.1 -0.860 13.3-169.0-115.1 93.9 146.6 -126.1 27.0 53 53 A P T 345S+ 0 0 29 0, 0.0 21,-0.2 0, 0.0 2,-0.2 0.820 82.5 67.9 -50.8 -37.9 145.3 -122.7 28.4 54 54 A S T 345S+ 0 0 33 -22,-0.4 -24,-0.1 1,-0.2 -21,-0.0 0.094 126.6 10.7 -74.1 26.6 144.9 -124.1 31.9 55 55 A Y T <45S- 0 0 169 -3,-1.1 -1,-0.2 -2,-0.2 -25,-0.0 0.154 98.6-126.8-168.5 -36.9 148.7 -124.2 31.9 56 56 A G T <5 + 0 0 43 -4,-4.6 2,-0.1 1,-0.3 16,-0.1 0.337 56.0 141.6 94.9 -7.0 149.8 -122.4 28.8 57 57 A R E < -G 52 0B 101 -5,-0.5 -5,-2.3 -6,-0.1 2,-0.4 -0.421 26.9-172.0 -74.3 144.7 152.0 -125.0 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 11.4-165.2-139.3 144.3 152.0 -125.5 23.4 59 59 A N E -G 50 0B 12 -9,-1.4 -9,-2.7 -2,-0.4 2,-0.3 -0.920 14.0-150.9-124.8 149.0 153.5 -127.9 21.0 60 60 A Y E -G 49 0B 47 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.3 -0.905 28.3 -93.6-126.0 153.8 153.8 -127.5 17.2 61 61 A N - 0 0 19 -13,-2.7 -12,-0.0 -2,-0.3 0, 0.0 -0.468 32.1-161.7 -64.3 116.8 153.9 -129.8 14.1 62 62 A E S S+ 0 0 136 -2,-0.4 -1,-0.2 1,-0.2 4,-0.1 0.557 80.6 66.2 -79.9 -11.0 157.6 -130.4 13.4 63 63 A K S S+ 0 0 162 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.970 98.7 55.4 -72.3 -55.8 157.1 -131.6 9.8 64 64 A I S S- 0 0 40 1,-0.1 2,-0.3 -16,-0.1 -4,-0.0 -0.236 103.1 -90.3 -73.3 163.2 155.9 -128.2 8.6 65 65 A Q - 0 0 155 1,-0.1 2,-0.7 2,-0.0 -1,-0.1 -0.584 45.6-110.8 -76.8 135.5 157.9 -124.9 9.0 66 66 A K + 0 0 112 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 -0.545 55.5 148.6 -73.3 113.6 157.0 -123.1 12.2 67 67 A K + 0 0 68 -2,-0.7 17,-1.7 16,-0.0 2,-0.3 0.171 54.3 72.6-124.9 11.2 155.2 -120.0 11.3 68 68 A A E -C 83 0A 4 15,-0.2 2,-0.3 -20,-0.1 15,-0.2 -0.885 50.4-166.4-132.2 162.3 153.0 -119.8 14.4 69 69 A T E -C 82 0A 72 13,-0.9 13,-1.6 -2,-0.3 2,-0.2 -0.863 20.9-147.6-147.6 106.3 153.1 -119.1 18.1 70 70 A L E +C 81 0A 9 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.492 22.8 163.8 -82.4 146.3 150.1 -120.1 20.3 71 71 A T E -C 80 0A 58 9,-1.9 9,-3.5 -2,-0.2 2,-0.3 -0.954 15.8-156.1-150.5 159.0 149.0 -118.2 23.4 72 72 A A E -C 79 0A 36 -2,-0.3 2,-0.2 7,-0.3 7,-0.2 -0.893 11.9-145.5-137.0 168.0 145.8 -118.2 25.5 73 73 A D E >>> -C 78 0A 67 5,-1.3 4,-1.2 -2,-0.3 5,-1.0 -0.676 10.1-161.2-140.3 82.6 144.0 -115.8 27.8 74 74 A K G >45S+ 0 0 115 -21,-0.2 3,-0.5 -2,-0.2 -1,-0.1 0.717 85.2 51.2 -27.2 -56.2 142.2 -117.7 30.6 75 75 A S G 345S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.925 117.6 34.6 -54.8 -57.3 139.8 -114.9 31.6 76 76 A S G <45S- 0 0 59 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.441 103.3-128.4 -80.7 -2.0 138.3 -114.0 28.2 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 53.3 45.4 138.5 -117.7 27.2 78 78 A T E < -BC 23 73A 20 -5,-1.0 -5,-1.3 -55,-0.2 2,-0.4 -0.966 39.0-157.7-124.0 130.2 140.4 -116.7 24.0 79 79 A A E -BC 22 72A 6 -57,-2.8 -57,-0.6 -2,-0.4 2,-0.4 -0.830 12.4-154.4-102.9 141.6 143.2 -118.5 22.2 80 80 A F E -BC 21 71A 46 -9,-3.5 -9,-1.9 -2,-0.4 2,-0.6 -0.960 9.2-164.4-122.8 129.9 145.5 -116.7 19.9 81 81 A M E -BC 20 70A 0 -61,-1.3 -61,-2.2 -2,-0.4 2,-0.7 -0.951 10.6-157.5-111.4 119.3 147.6 -118.0 17.0 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 -97.8 113.8 150.3 -115.6 15.8 83 83 A L E -BC 18 68A 4 -65,-2.9 -65,-1.5 -2,-0.7 2,-0.3 -0.923 12.7-162.5-104.3 120.8 151.4 -116.3 12.2 84 84 A S + 0 0 59 -17,-1.7 -67,-0.2 -2,-0.6 -68,-0.1 -0.770 54.3 4.0-110.3 154.6 154.5 -114.4 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 78.0 156.2 -113.4 7.9 86 86 A L - 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