==== 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 IMMUNE SYSTEM/METAL TRANSPORT 04-JUN-09 3HPL . COMPND 2 MOLECULE: ANTIBODY FAB HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR L.G.CUELLO,V.JOGINI,D.M.CORTES,E.PEROZO . 525 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 68.0 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 . 152 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 67 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 13.9 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 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 . 11 5 7 4 1 2 4 0 1 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 . 0 1 0 5 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 0 187 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 145.5 125.6 -123.1 21.0 2 2 A V - 0 0 108 1,-0.2 3,-0.1 22,-0.1 107,-0.1 -0.169 360.0-177.7 -43.7 99.9 128.5 -122.2 18.6 3 3 A Q + 0 0 48 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.962 61.9 48.7 -72.9 -57.9 131.4 -122.9 20.9 4 4 A L S S- 0 0 4 104,-0.4 2,-0.7 20,-0.2 106,-0.6 -0.775 71.6-164.7 -93.0 109.9 134.5 -121.9 18.9 5 5 A Q B -A 23 0A 92 18,-1.8 18,-1.6 -2,-0.8 104,-0.1 -0.827 9.1-179.3 -99.0 114.3 134.1 -118.5 17.3 6 6 A Q - 0 0 17 -2,-0.7 16,-0.1 16,-0.2 104,-0.0 -0.940 34.1-107.1-117.2 133.9 136.6 -117.6 14.6 7 7 A P - 0 0 45 0, 0.0 106,-0.1 0, 0.0 3,-0.0 -0.271 32.5-124.4 -54.3 125.8 136.8 -114.3 12.6 8 8 A G S S- 0 0 31 104,-0.2 105,-2.7 1,-0.1 2,-0.3 0.835 77.2 -11.0 -41.9 -48.1 135.6 -114.9 9.1 9 9 A A E -e 113 0B 7 103,-0.3 2,-0.3 196,-0.2 105,-0.2 -0.996 47.0-159.5-158.2 162.7 138.7 -113.7 7.4 10 10 A E E -e 114 0B 68 103,-2.7 105,-2.4 -2,-0.3 2,-0.4 -0.994 11.8-152.8-144.3 135.5 142.1 -111.9 7.5 11 11 A L E -e 115 0B 45 -2,-0.3 2,-0.4 103,-0.2 105,-0.2 -0.872 19.3-171.0-106.4 141.6 144.1 -110.3 4.7 12 12 A V E -e 116 0B 10 103,-2.8 105,-1.2 -2,-0.4 3,-0.1 -0.979 21.7-127.7-143.5 131.6 147.8 -110.2 5.2 13 13 A K > - 0 0 125 -2,-0.4 3,-3.0 103,-0.2 73,-0.3 -0.496 47.9 -90.3 -71.8 137.3 150.6 -108.5 3.3 14 14 A P T 3 S+ 0 0 79 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.265 118.7 20.4 -52.0 118.4 153.5 -110.9 2.3 15 15 A G T 3 S+ 0 0 44 71,-1.0 70,-0.7 1,-0.4 72,-0.1 -0.058 103.9 109.9 110.5 -28.5 156.0 -110.7 5.2 16 16 A A < - 0 0 41 -3,-3.0 70,-2.0 69,-0.2 -1,-0.4 -0.050 61.0-131.4 -70.2 176.4 153.4 -109.5 7.6 17 17 A S - 0 0 67 67,-0.2 2,-0.3 68,-0.2 67,-0.3 -0.984 12.1-159.1-141.4 128.3 151.9 -111.5 10.5 18 18 A V E -B 83 0A 12 65,-1.6 65,-1.9 -2,-0.4 2,-0.6 -0.724 12.1-143.0-103.3 152.4 148.3 -112.0 11.7 19 19 A K E -B 82 0A 105 -2,-0.3 63,-0.2 63,-0.2 -2,-0.0 -0.779 21.8-156.0-117.4 87.9 147.1 -113.1 15.1 20 20 A L E -B 81 0A 1 61,-1.4 61,-2.7 -2,-0.6 2,-0.2 -0.275 8.1-149.1 -65.3 145.7 144.1 -115.4 14.7 21 21 A S - 0 0 40 59,-0.2 2,-0.2 -14,-0.0 59,-0.2 -0.666 19.1-177.0-113.3 167.4 141.5 -115.8 17.5 22 22 A a - 0 0 3 57,-0.5 57,-3.2 -2,-0.2 2,-0.7 -0.714 9.9-168.0-165.2 102.0 139.2 -118.6 18.8 23 23 A K B -AC 5 78A 100 -18,-1.6 -18,-1.8 55,-0.3 55,-0.2 -0.900 11.9-161.3-104.4 114.3 136.9 -117.7 21.6 24 24 A A + 0 0 17 53,-2.0 2,-0.3 -2,-0.7 -20,-0.2 -0.479 14.2 173.1 -92.6 162.0 135.2 -120.7 23.2 25 25 A S + 0 0 47 -2,-0.2 2,-0.2 -24,-0.1 -22,-0.0 -0.864 42.9 58.8-150.9 176.6 132.2 -121.0 25.4 26 26 A G S S+ 0 0 39 -2,-0.3 2,-0.7 -24,-0.1 -24,-0.0 -0.533 103.5 0.3 90.5-163.7 130.2 -124.0 26.8 27 27 A Y S S- 0 0 188 -2,-0.2 2,-0.3 1,-0.0 -2,-0.1 -0.470 71.0-174.6 -68.5 104.6 131.8 -126.7 29.0 28 28 A T - 0 0 74 -2,-0.7 2,-0.3 -4,-0.1 -2,-0.0 -0.684 1.0-173.8 -98.2 153.2 135.5 -125.9 29.6 29 29 A F > - 0 0 112 -2,-0.3 3,-1.7 1,-0.1 25,-0.3 -0.976 38.8-119.5-144.4 157.9 137.9 -128.2 31.4 30 30 A T T 3 S+ 0 0 87 -2,-0.3 24,-0.2 1,-0.3 -1,-0.1 0.736 116.8 58.1 -68.2 -20.1 141.5 -128.1 32.7 31 31 A S T 3 S+ 0 0 31 69,-0.1 -1,-0.3 22,-0.1 2,-0.3 0.388 81.6 126.4 -89.9 4.3 142.1 -131.1 30.4 32 32 A D < - 0 0 11 -3,-1.7 2,-0.5 69,-0.1 22,-0.4 -0.462 39.9-169.1 -70.5 127.9 141.0 -129.0 27.4 33 33 A W E -F 99 0B 0 66,-2.6 66,-2.7 -2,-0.3 2,-0.5 -0.974 9.6-151.2-118.3 124.3 143.4 -128.8 24.4 34 34 A I E -FG 98 51B 12 17,-2.9 17,-1.9 -2,-0.5 2,-0.2 -0.840 18.5-164.5 -97.5 127.8 142.8 -126.3 21.6 35 35 A H E -FG 97 50B 0 62,-2.6 62,-1.0 -2,-0.5 2,-0.4 -0.656 12.7-143.2-108.1 165.3 144.1 -127.4 18.2 36 36 A W E -FG 96 49B 0 13,-1.9 12,-2.8 -2,-0.2 13,-0.8 -0.954 14.9-175.4-134.1 114.7 144.8 -125.7 14.9 37 37 A V E -FG 95 47B 0 58,-0.8 58,-3.2 -2,-0.4 2,-0.5 -0.909 10.5-153.8-111.8 136.3 144.2 -127.3 11.5 38 38 A K E -FG 94 46B 33 8,-2.2 2,-0.6 -2,-0.4 8,-0.6 -0.940 7.8-170.8-113.5 121.0 145.1 -125.6 8.2 39 39 A Q E -FG 93 45B 20 54,-2.7 54,-2.1 -2,-0.5 6,-0.2 -0.910 9.8-154.0-117.3 108.8 143.3 -126.5 5.1 40 40 A R > - 0 0 98 -2,-0.6 3,-2.4 4,-0.6 52,-0.2 -0.517 47.6 -77.7 -73.4 144.1 144.7 -125.1 1.8 41 41 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.137 116.0 3.3 -48.4 128.3 141.9 -124.8 -0.9 42 42 A G T 3 S+ 0 0 83 1,-0.3 2,-0.2 -3,-0.1 -2,-0.1 0.563 116.3 95.5 72.8 9.4 141.0 -128.1 -2.4 43 43 A H S < S- 0 0 121 -3,-2.4 -1,-0.3 1,-0.2 2,-0.0 -0.588 74.8 -83.4-120.8-176.1 143.4 -130.0 -0.2 44 44 A G - 0 0 25 -2,-0.2 -4,-0.6 1,-0.1 2,-0.2 -0.197 48.5 -81.7 -85.4 178.3 143.2 -132.0 3.1 45 45 A L E -G 39 0B 11 274,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.546 41.5-162.9 -78.2 141.4 143.3 -131.0 6.8 46 46 A E E -G 38 0B 74 -8,-0.6 -8,-2.2 -2,-0.2 271,-0.1 -0.901 17.6-128.9-136.8 108.9 146.8 -130.4 8.3 47 47 A W E +G 37 0B 8 -2,-0.4 -10,-0.2 -10,-0.2 3,-0.1 -0.212 28.7 174.0 -51.6 131.4 147.6 -130.4 12.0 48 48 A I E - 0 0 12 -12,-2.8 13,-2.8 1,-0.4 2,-0.3 0.796 52.5 -49.8-107.5 -50.9 149.5 -127.2 12.9 49 49 A G E -GH 36 60B 0 -13,-0.8 -13,-1.9 11,-0.3 -1,-0.4 -0.970 43.5-132.7-171.3-178.0 149.8 -127.2 16.7 50 50 A E E -GH 35 59B 0 9,-2.4 9,-1.5 -2,-0.3 2,-0.3 -0.983 10.4-164.2-150.6 156.6 148.0 -127.6 20.0 51 51 A I E -GH 34 58B 1 -17,-1.9 -17,-2.9 -2,-0.3 7,-0.2 -0.996 16.8-144.7-149.7 142.6 147.8 -125.9 23.4 52 52 A I E >>> - H 0 57B 0 5,-2.1 4,-3.7 -2,-0.3 3,-1.9 -0.879 15.0-164.0-107.1 97.8 146.5 -126.7 26.8 53 53 A P T 345S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 21,-0.2 0.851 83.9 62.2 -48.4 -48.0 145.1 -123.4 28.3 54 54 A S T 345S+ 0 0 41 -22,-0.4 -24,-0.1 -25,-0.3 -21,-0.1 0.480 126.6 16.7 -63.0 0.1 145.0 -124.6 31.9 55 55 A Y T <45S- 0 0 142 -3,-1.9 -1,-0.2 2,-0.1 -25,-0.0 0.469 94.9-129.3-142.6 -26.4 148.8 -124.9 31.7 56 56 A G T <5 + 0 0 46 -4,-3.7 2,-0.2 1,-0.3 -2,-0.1 0.515 52.7 147.9 84.3 3.4 149.9 -122.9 28.6 57 57 A R E < -H 52 0B 111 -5,-0.6 -5,-2.1 14,-0.0 2,-0.4 -0.509 25.0-170.7 -73.5 139.2 152.0 -125.7 27.1 58 58 A A E -H 51 0B 25 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.998 11.0-175.2-137.5 134.1 152.1 -125.7 23.3 59 59 A N E -H 50 0B 12 -9,-1.5 -9,-2.4 -2,-0.4 2,-0.2 -0.926 12.2-156.8-123.7 148.8 153.5 -128.3 20.8 60 60 A Y E -H 49 0B 46 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.3 -0.761 32.8 -83.3-124.2 169.9 153.6 -127.9 17.0 61 61 A N - 0 0 21 -13,-2.8 3,-0.4 -2,-0.2 5,-0.0 -0.631 36.0-155.7 -75.2 113.9 153.8 -130.1 13.9 62 62 A E S S+ 0 0 130 -2,-0.7 -1,-0.1 1,-0.2 4,-0.1 0.573 84.2 58.1 -68.2 -13.1 157.5 -130.9 13.5 63 63 A K S S+ 0 0 163 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.857 95.8 65.7 -86.7 -38.2 157.3 -131.6 9.7 64 64 A I S S- 0 0 46 -3,-0.4 2,-0.6 1,-0.1 -4,-0.0 -0.522 99.8 -95.3 -83.4 152.0 156.0 -128.2 8.5 65 65 A Q - 0 0 169 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.554 47.9-112.3 -72.0 115.1 158.1 -125.1 8.9 66 66 A K + 0 0 107 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 -0.251 54.7 151.9 -53.9 113.2 157.0 -123.4 12.1 67 67 A K + 0 0 68 -2,-0.2 17,-0.4 16,-0.0 2,-0.3 -0.048 53.9 69.6-130.9 27.3 155.2 -120.2 11.3 68 68 A A - 0 0 4 15,-0.2 2,-0.3 -20,-0.1 15,-0.2 -0.979 52.7-163.2-145.8 157.6 152.9 -120.1 14.3 69 69 A T - 0 0 68 -2,-0.3 13,-1.1 13,-0.2 2,-0.1 -0.859 18.3-147.0-147.5 107.0 153.0 -119.6 18.0 70 70 A L E +D 81 0A 9 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.403 22.3 165.4 -76.9 148.2 150.0 -120.6 20.2 71 71 A T E -D 80 0A 61 9,-1.4 9,-2.7 -2,-0.1 2,-0.4 -0.964 19.7-146.5-154.6 156.3 148.9 -118.8 23.4 72 72 A A E -D 79 0A 28 -2,-0.3 2,-1.3 7,-0.2 7,-0.2 -0.988 12.7-137.5-138.4 131.0 145.8 -118.9 25.6 73 73 A D E >> -D 78 0A 68 5,-2.7 4,-0.9 -2,-0.4 5,-0.8 -0.685 19.7-153.2 -88.1 92.2 144.1 -116.2 27.6 74 74 A K T >45S+ 0 0 130 -2,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.772 85.8 31.1 -25.5 -66.3 143.2 -118.0 30.9 75 75 A S T 345S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.973 116.5 49.7 -66.4 -64.0 140.2 -115.8 31.8 76 76 A S T 345S- 0 0 53 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.389 100.0-129.5 -62.4 4.5 138.5 -114.7 28.5 77 77 A S T <<5 + 0 0 53 -4,-0.9 -53,-2.0 -3,-0.5 2,-0.4 0.875 59.6 138.1 46.6 48.7 138.6 -118.3 27.2 78 78 A T E < -CD 23 73A 16 -5,-0.8 -5,-2.7 -55,-0.2 2,-0.4 -0.979 42.6-152.0-126.2 137.8 140.3 -117.3 23.9 79 79 A A E - 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