==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN/METAL TRANSPORT 18-NOV-08 3FB8 . 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 . 518 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 32.8 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 . 3 0.6 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 . 43 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 3 5 6 2 4 7 2 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 5 1 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 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 0 177 0, 0.0 24,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 153.5 125.2 121.3 -21.4 2 2 A V - 0 0 92 1,-0.2 3,-0.2 22,-0.1 107,-0.1 -0.268 360.0-163.1 -50.5 115.8 128.4 121.0 -19.2 3 3 A Q S S+ 0 0 68 1,-0.2 22,-2.3 105,-0.1 2,-0.4 0.864 75.6 32.6 -73.5 -36.3 131.1 122.7 -21.2 4 4 A L E S-A 24 0A 4 104,-0.3 2,-0.6 20,-0.2 106,-0.5 -0.962 70.0-164.5-128.2 117.1 134.0 121.2 -19.2 5 5 A Q E +A 23 0A 119 18,-3.1 18,-2.4 -2,-0.4 104,-0.1 -0.876 11.8 174.4-105.8 121.5 133.9 117.7 -17.6 6 6 A Q - 0 0 23 -2,-0.6 16,-0.1 16,-0.2 104,-0.1 -0.951 35.5-106.0-124.1 145.1 136.4 116.7 -15.0 7 7 A P - 0 0 46 0, 0.0 106,-0.1 0, 0.0 3,-0.1 -0.320 31.0-122.7 -65.1 149.4 136.6 113.5 -12.8 8 8 A G S S- 0 0 34 104,-0.2 105,-2.3 1,-0.1 2,-0.3 0.860 76.2 -5.9 -64.6 -40.3 135.6 114.0 -9.2 9 9 A A E -d 113 0B 10 103,-0.2 2,-0.3 196,-0.1 105,-0.2 -0.991 45.4-160.2-156.8 163.0 138.7 112.8 -7.4 10 10 A E E -d 114 0B 63 103,-2.2 105,-2.4 -2,-0.3 2,-0.5 -0.956 11.4-154.0-148.0 124.6 142.1 111.1 -7.6 11 11 A L E -d 115 0B 45 -2,-0.3 2,-0.4 103,-0.2 105,-0.2 -0.884 19.6-177.7-100.9 128.7 144.1 109.5 -4.8 12 12 A V E -d 116 0B 7 103,-3.0 105,-1.8 -2,-0.5 3,-0.1 -0.992 23.4-130.9-131.7 132.0 147.8 109.5 -5.3 13 13 A K > - 0 0 123 -2,-0.4 3,-2.3 103,-0.2 73,-0.3 -0.548 48.2 -84.8 -77.3 144.5 150.5 108.0 -3.1 14 14 A P T 3 S+ 0 0 71 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.228 116.7 19.8 -52.2 127.8 153.4 110.3 -2.3 15 15 A G T 3 S+ 0 0 52 71,-3.0 70,-0.4 1,-0.4 72,-0.1 0.077 102.7 105.5 99.8 -23.6 156.0 110.3 -5.1 16 16 A A < - 0 0 45 -3,-2.3 70,-2.4 70,-0.2 -1,-0.4 -0.227 62.1-130.1 -81.7 175.9 153.7 108.9 -7.7 17 17 A S - 0 0 65 67,-0.2 2,-0.3 68,-0.2 67,-0.3 -0.849 14.9-162.2-126.7 163.8 152.1 110.8 -10.6 18 18 A V E - B 0 83A 14 65,-2.8 65,-3.3 -2,-0.3 2,-0.6 -0.987 14.2-138.5-145.6 151.6 148.6 111.3 -12.0 19 19 A K E - B 0 82A 93 -2,-0.3 63,-0.3 63,-0.2 2,-0.2 -0.937 19.6-158.0-117.4 110.6 147.1 112.5 -15.2 20 20 A L E - B 0 81A 3 61,-2.9 61,-2.3 -2,-0.6 2,-0.3 -0.579 9.3-149.8 -86.8 149.3 144.0 114.7 -14.9 21 21 A S E - B 0 80A 19 59,-0.2 2,-0.3 -2,-0.2 59,-0.2 -0.874 14.9-169.1-122.7 155.2 141.5 115.1 -17.7 22 22 A a E - B 0 79A 2 57,-1.9 57,-2.5 -2,-0.3 2,-0.6 -0.871 9.8-161.5-143.9 103.2 139.2 117.8 -19.0 23 23 A K E -AB 5 78A 96 -18,-2.4 -18,-3.1 -2,-0.3 2,-0.3 -0.794 13.8-158.8 -91.8 119.3 136.6 116.9 -21.7 24 24 A A E +A 4 0A 21 53,-2.5 2,-0.2 -2,-0.6 -20,-0.2 -0.738 15.5 170.5-102.7 146.0 135.2 120.0 -23.4 25 25 A S + 0 0 41 -22,-2.3 2,-0.1 -2,-0.3 52,-0.0 -0.742 40.2 58.0-136.1-177.9 132.0 120.4 -25.4 26 26 A G S S- 0 0 40 -2,-0.2 -24,-0.0 2,-0.1 -2,-0.0 -0.366 102.3 -7.9 84.3-170.8 130.1 123.3 -26.9 27 27 A Y - 0 0 185 -2,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.315 66.0-164.2 -60.9 140.1 131.6 125.7 -29.5 28 28 A T - 0 0 72 -4,-0.0 2,-0.3 4,-0.0 -2,-0.1 -0.996 6.3-174.3-129.6 131.3 135.4 125.2 -30.1 29 29 A F > - 0 0 102 -2,-0.4 3,-1.9 1,-0.1 25,-0.2 -0.874 38.4-118.2-124.3 156.9 137.6 127.7 -31.9 30 30 A T T 3 S+ 0 0 80 -2,-0.3 24,-0.2 1,-0.3 25,-0.1 0.688 115.4 59.5 -64.7 -17.3 141.2 127.7 -33.0 31 31 A S T 3 S+ 0 0 28 69,-0.1 -1,-0.3 23,-0.1 2,-0.2 0.337 78.8 119.2 -93.7 5.2 141.7 130.5 -30.6 32 32 A D < - 0 0 11 -3,-1.9 22,-0.4 68,-0.1 2,-0.4 -0.505 43.4-165.4 -75.6 140.5 140.6 128.6 -27.4 33 33 A W E -E 99 0B 0 66,-2.8 66,-2.5 -2,-0.2 2,-0.6 -0.971 10.6-145.3-122.1 139.1 143.1 128.2 -24.6 34 34 A I E -EF 98 51B 10 17,-2.9 17,-1.5 -2,-0.4 2,-0.3 -0.932 20.1-165.0-107.6 123.1 142.5 125.7 -21.8 35 35 A H E -EF 97 50B 0 62,-3.2 62,-2.4 -2,-0.6 2,-0.4 -0.710 10.4-149.2-106.1 156.5 143.8 126.8 -18.4 36 36 A W E -EF 96 49B 0 13,-2.0 12,-2.8 -2,-0.3 13,-1.1 -0.992 13.4-171.8-127.3 133.0 144.5 124.9 -15.2 37 37 A V E -EF 95 47B 0 58,-2.4 58,-3.1 -2,-0.4 2,-0.4 -0.982 10.3-148.6-129.2 136.1 144.1 126.5 -11.7 38 38 A K E -EF 94 46B 22 8,-3.1 8,-2.6 -2,-0.4 2,-0.4 -0.855 13.5-178.4-106.5 138.6 145.0 125.0 -8.3 39 39 A Q E -E 93 0B 21 54,-2.4 54,-2.4 -2,-0.4 6,-0.1 -0.914 11.7-155.4-140.8 111.1 143.2 125.8 -5.1 40 40 A R > - 0 0 77 4,-0.4 3,-2.3 -2,-0.4 52,-0.1 -0.508 46.5 -76.5 -79.0 154.1 144.2 124.4 -1.7 41 41 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.208 117.4 4.1 -53.1 132.7 141.5 124.1 1.0 42 42 A G T 3 S+ 0 0 87 1,-0.2 2,-0.2 -3,-0.1 -2,-0.0 0.444 116.4 100.2 71.3 -0.6 140.7 127.5 2.6 43 43 A H S < S- 0 0 118 -3,-2.3 -1,-0.2 1,-0.2 278,-0.0 -0.528 70.8 -94.0-112.1 179.6 143.1 129.3 0.1 44 44 A G - 0 0 25 -2,-0.2 -4,-0.4 1,-0.1 2,-0.4 0.049 47.0 -74.9 -81.9-169.1 142.9 131.3 -3.1 45 45 A L - 0 0 13 274,-0.4 2,-0.5 -6,-0.1 273,-0.2 -0.762 40.4-166.5 -93.6 130.7 143.2 130.5 -6.8 46 46 A E E -F 38 0B 77 -8,-2.6 -8,-3.1 -2,-0.4 2,-0.3 -0.970 18.2-132.0-121.1 123.9 146.6 129.8 -8.3 47 47 A W E +F 37 0B 6 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.574 25.0 177.3 -74.7 129.8 147.2 129.8 -12.0 48 48 A I E - 0 0 14 -12,-2.8 13,-2.5 1,-0.4 2,-0.3 0.857 50.3 -62.0 -98.0 -50.4 149.2 126.7 -13.1 49 49 A G E -FG 36 60B 0 -13,-1.1 -13,-2.0 11,-0.3 -1,-0.4 -0.980 39.7-124.5 178.8-178.2 149.5 126.9 -16.9 50 50 A E E -FG 35 59B 0 9,-2.2 9,-2.1 -2,-0.3 2,-0.3 -0.957 11.1-163.0-146.7 160.4 147.7 127.0 -20.2 51 51 A I E -FG 34 58B 1 -17,-1.5 -17,-2.9 -2,-0.3 7,-0.2 -0.994 16.4-140.8-147.6 144.5 147.6 125.2 -23.5 52 52 A I E >>> - G 0 57B 0 5,-2.1 4,-4.0 -2,-0.3 3,-1.4 -0.917 12.5-161.0-107.6 105.1 146.3 126.0 -27.0 53 53 A P T 345S+ 0 0 38 0, 0.0 21,-0.2 0, 0.0 -1,-0.2 0.872 85.9 62.3 -51.9 -42.6 144.8 122.8 -28.5 54 54 A S T 345S+ 0 0 44 -22,-0.4 -24,-0.1 -24,-0.2 -23,-0.1 0.750 124.8 16.7 -59.2 -24.3 144.9 124.1 -32.1 55 55 A Y T <45S- 0 0 162 -3,-1.4 -1,-0.2 2,-0.1 -25,-0.0 0.637 96.2-130.0-119.2 -29.1 148.7 124.3 -31.9 56 56 A G T <5 + 0 0 50 -4,-4.0 2,-0.3 1,-0.3 16,-0.1 0.512 55.1 141.4 90.8 4.1 149.6 122.3 -28.9 57 57 A R E < -G 52 0B 93 -5,-0.5 -5,-2.1 14,-0.0 2,-0.3 -0.614 31.0-163.0 -83.7 143.0 151.9 124.8 -27.2 58 58 A A E -G 51 0B 24 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.949 7.3-164.3-127.0 144.8 151.8 125.1 -23.4 59 59 A N E -G 50 0B 9 -9,-2.1 -9,-2.2 -2,-0.3 2,-0.3 -0.925 11.7-153.1-124.3 151.1 153.0 127.8 -21.0 60 60 A Y E -G 49 0B 47 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.3 -0.920 28.0 -97.4-130.6 153.2 153.6 127.5 -17.2 61 61 A N > - 0 0 24 -13,-2.5 3,-0.6 -2,-0.3 -13,-0.0 -0.490 31.3-160.3 -63.4 121.5 153.6 129.7 -14.1 62 62 A E T 3 S+ 0 0 127 -2,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.741 81.0 70.4 -78.5 -23.2 157.3 130.5 -13.6 63 63 A K T 3 S+ 0 0 166 2,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.590 96.6 56.9 -70.8 -11.6 156.8 131.5 -9.9 64 64 A I S < S- 0 0 41 -3,-0.6 2,-0.1 -16,-0.1 3,-0.0 -0.903 96.3 -91.6-126.0 153.0 156.1 127.9 -8.8 65 65 A Q - 0 0 155 -2,-0.3 2,-0.8 1,-0.1 -4,-0.1 -0.366 51.9-111.6 -57.5 129.9 157.9 124.6 -9.0 66 66 A K + 0 0 129 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.550 54.8 151.2 -73.9 107.5 156.8 122.9 -12.2 67 67 A K + 0 0 62 -2,-0.8 17,-1.9 -19,-0.1 2,-0.3 0.596 53.5 74.5-105.9 -19.4 154.7 119.8 -11.3 68 68 A A E -C 83 0A 2 15,-0.2 2,-0.4 -20,-0.1 15,-0.2 -0.679 49.1-171.3-106.7 154.9 152.5 119.8 -14.4 69 69 A T E -C 82 0A 67 13,-1.1 13,-2.9 -2,-0.3 2,-0.4 -0.979 21.8-150.0-137.6 119.2 152.8 118.9 -18.1 70 70 A L E +C 81 0A 10 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.779 22.1 162.5-101.7 138.2 149.9 119.8 -20.4 71 71 A T E -C 80 0A 61 9,-2.1 9,-2.9 -2,-0.4 2,-0.3 -0.873 17.5-152.7-139.5 170.0 148.8 118.1 -23.5 72 72 A A E -C 79 0A 37 -2,-0.3 2,-0.7 7,-0.3 7,-0.2 -0.985 9.9-148.2-152.7 139.6 145.6 118.0 -25.6 73 73 A D E > -C 78 0A 64 5,-3.5 5,-2.0 -2,-0.3 4,-0.5 -0.928 9.3-167.5-110.9 109.4 143.8 115.6 -27.9 74 74 A K T > 5S+ 0 0 119 -2,-0.7 3,-0.7 1,-0.2 -1,-0.2 0.880 84.0 55.9 -62.8 -42.4 142.0 117.4 -30.6 75 75 A S T 3 5S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.835 118.6 32.8 -62.6 -33.7 139.9 114.3 -31.8 76 76 A S T 3 5S- 0 0 59 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.355 103.4-129.3-103.3 4.5 138.5 113.7 -28.4 77 77 A S T < 5 + 0 0 53 -3,-0.7 -53,-2.5 -4,-0.5 2,-0.4 0.883 61.4 141.0 48.9 43.7 138.4 117.4 -27.4 78 78 A T E < -BC 23 73A 8 -5,-2.0 -5,-3.5 -55,-0.2 2,-0.4 -0.957 40.2-158.3-123.2 136.5 140.2 116.5 -24.2 79 79 A A E -BC 22 72A 5 -57,-2.5 -57,-1.9 -2,-0.4 2,-0.3 -0.853 13.9-158.7-107.8 143.7 142.9 118.4 -22.4 80 80 A F E -BC 21 71A 46 -9,-2.9 -9,-2.1 -2,-0.4 2,-0.5 -0.941 13.2-161.7-127.6 148.6 145.2 116.6 -19.9 81 81 A M E -BC 20 70A 0 -61,-2.3 -61,-2.9 -2,-0.3 2,-0.7 -0.943 10.9-157.5-128.8 109.7 147.4 117.7 -17.0 82 82 A Q E -BC 19 69A 54 -13,-2.9 -13,-1.1 -2,-0.5 2,-0.5 -0.783 8.2-168.4 -89.4 115.4 150.1 115.3 -15.9 83 83 A L E -BC 18 68A 3 -65,-3.3 -65,-2.8 -2,-0.7 2,-0.3 -0.916 12.8-166.6-103.1 126.6 151.2 115.9 -12.3 84 84 A S + 0 0 48 -17,-1.9 -67,-0.2 -2,-0.5 -68,-0.1 -0.869 53.1 7.7-121.9 153.0 154.3 114.0 -11.3 85 85 A S S S- 0 0 70 -70,-0.4 -1,-0.2 -2,-0.3 -68,-0.2 0.944 82.1-166.6 50.1 61.4 156.2 113.2 -8.1 86 86 A L - 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