==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 11-JUL-11 3STZ . COMPND 2 MOLECULE: ANTIBODY FAB FRAGMENT HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR H.RAGHURAMAN,J.CORDERO-MORALES,V.JOGINI,E.PEROZO . 533 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 67.4 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 . 167 31.3 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 . 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 0 0 0 0 1 0 1 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 . 2 7 4 3 3 6 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 1 4 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 0 174 0, 0.0 24,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.3 125.1 122.1 -21.3 2 2 A V - 0 0 97 1,-0.2 3,-0.1 22,-0.1 107,-0.1 -0.082 360.0-164.8 -38.3 104.8 128.0 121.5 -19.0 3 3 A Q S S+ 0 0 68 1,-0.2 22,-1.7 105,-0.1 2,-0.5 0.842 71.4 35.5 -68.3 -37.4 130.9 123.0 -21.1 4 4 A L E S-A 24 0A 6 104,-0.3 106,-0.5 20,-0.2 2,-0.5 -0.973 70.2-164.0-125.0 122.7 133.8 121.5 -19.2 5 5 A Q E +A 23 0A 110 18,-2.6 18,-2.5 -2,-0.5 104,-0.1 -0.911 12.1 174.2-109.2 127.0 133.6 118.0 -17.6 6 6 A Q - 0 0 23 -2,-0.5 16,-0.1 16,-0.2 104,-0.1 -0.982 35.8-103.8-132.5 144.1 136.1 116.8 -15.0 7 7 A P - 0 0 47 0, 0.0 106,-0.1 0, 0.0 3,-0.1 -0.291 30.9-127.6 -60.3 143.8 136.4 113.7 -12.8 8 8 A G S S- 0 0 32 104,-0.2 105,-2.8 1,-0.2 2,-0.3 0.875 76.3 -1.8 -64.3 -41.6 135.4 114.2 -9.2 9 9 A A E -d 113 0B 10 103,-0.2 2,-0.4 196,-0.1 105,-0.2 -0.996 48.3-162.2-154.4 158.3 138.4 112.8 -7.5 10 10 A E E -d 114 0B 57 103,-2.3 105,-2.4 -2,-0.3 2,-0.5 -0.996 12.3-151.8-141.3 132.2 141.8 111.2 -7.8 11 11 A L E +d 115 0B 49 -2,-0.4 2,-0.4 103,-0.2 105,-0.2 -0.912 20.3 180.0-106.4 132.2 143.8 109.4 -5.2 12 12 A V E -d 116 0B 8 103,-3.3 105,-1.2 -2,-0.5 6,-0.1 -0.999 23.5-132.5-137.7 138.0 147.6 109.5 -5.5 13 13 A K > - 0 0 122 -2,-0.4 3,-2.6 103,-0.2 73,-0.3 -0.656 46.9 -86.7 -86.1 139.2 150.4 108.0 -3.4 14 14 A P T 3 S+ 0 0 72 0, 0.0 73,-0.2 0, 0.0 -1,-0.1 -0.170 118.4 18.1 -46.6 127.5 153.4 110.2 -2.6 15 15 A G T 3 S+ 0 0 46 71,-2.7 70,-0.6 1,-0.4 72,-0.1 -0.111 104.1 104.8 100.7 -36.0 155.8 110.0 -5.4 16 16 A A < - 0 0 45 -3,-2.6 70,-2.5 70,-0.2 -1,-0.4 -0.057 63.3-130.3 -69.0 177.5 153.3 108.6 -7.9 17 17 A S - 0 0 64 67,-0.2 2,-0.3 68,-0.2 67,-0.2 -0.977 14.5-161.7-135.7 148.5 151.7 110.6 -10.7 18 18 A V E - B 0 83A 11 65,-1.4 65,-2.4 -2,-0.3 2,-0.5 -0.882 12.2-141.1-126.4 158.3 148.2 111.2 -12.0 19 19 A K E - B 0 82A 107 -2,-0.3 63,-0.2 63,-0.2 2,-0.2 -0.918 17.6-159.1-125.3 106.9 146.7 112.5 -15.2 20 20 A L E - B 0 81A 3 61,-2.4 61,-2.7 -2,-0.5 2,-0.2 -0.589 7.1-153.9 -86.7 147.3 143.6 114.8 -15.0 21 21 A S E - B 0 80A 37 -2,-0.2 2,-0.3 59,-0.2 59,-0.2 -0.727 12.5-165.9-116.2 165.1 141.2 115.3 -17.9 22 22 A a E - B 0 79A 1 57,-0.9 57,-2.5 -2,-0.2 2,-0.5 -0.827 12.5-157.3-153.7 104.4 138.9 118.1 -19.0 23 23 A K E -AB 5 78A 102 -18,-2.5 -18,-2.6 -2,-0.3 2,-0.3 -0.789 12.3-156.2 -92.5 124.7 136.3 117.3 -21.7 24 24 A A E +A 4 0A 18 53,-2.9 2,-0.3 -2,-0.5 -20,-0.2 -0.780 18.4 165.3-106.7 145.6 134.9 120.2 -23.6 25 25 A S + 0 0 44 -22,-1.7 2,-0.2 -2,-0.3 52,-0.0 -0.870 41.5 56.7-142.7 172.3 131.7 120.7 -25.5 26 26 A G S S- 0 0 38 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.586 103.7 -6.1 95.1-164.8 129.8 123.7 -26.9 27 27 A Y - 0 0 186 -2,-0.2 2,-0.4 1,-0.0 -2,-0.1 -0.421 66.2-168.3 -67.6 135.1 131.4 126.1 -29.3 28 28 A T - 0 0 82 -2,-0.1 2,-0.3 -4,-0.1 -2,-0.1 -0.978 4.2-174.7-130.5 121.2 135.1 125.5 -30.0 29 29 A F > - 0 0 108 -2,-0.4 3,-1.5 1,-0.1 25,-0.2 -0.754 38.4-119.6-112.4 159.3 137.4 128.0 -31.8 30 30 A T T 3 S+ 0 0 78 1,-0.3 24,-0.2 -2,-0.3 -1,-0.1 0.683 113.7 65.2 -67.7 -16.0 141.0 127.8 -32.9 31 31 A S T 3 S+ 0 0 30 69,-0.1 2,-0.3 22,-0.1 -1,-0.3 0.149 79.8 121.1 -92.0 17.8 141.5 130.8 -30.6 32 32 A D < - 0 0 13 -3,-1.5 2,-0.4 68,-0.1 22,-0.3 -0.627 41.6-167.6 -90.2 143.5 140.7 128.8 -27.5 33 33 A W E -E 99 0B 0 66,-2.6 66,-2.5 -2,-0.3 2,-0.5 -0.981 11.4-147.2-125.8 136.5 143.0 128.3 -24.5 34 34 A I E -EF 98 51B 13 17,-2.7 17,-2.1 -2,-0.4 2,-0.3 -0.899 19.9-163.8-102.9 134.4 142.4 125.8 -21.8 35 35 A H E -EF 97 50B 0 62,-3.2 62,-1.7 -2,-0.5 2,-0.4 -0.772 10.2-148.7-114.3 159.2 143.7 126.9 -18.3 36 36 A W E -EF 96 49B 0 13,-1.6 12,-3.0 -2,-0.3 13,-1.0 -0.996 13.6-171.0-132.1 127.9 144.4 124.9 -15.1 37 37 A V E -EF 95 47B 0 58,-2.9 58,-3.1 -2,-0.4 2,-0.4 -0.974 9.5-149.8-125.1 132.6 143.9 126.5 -11.7 38 38 A K E -EF 94 46B 21 8,-3.2 8,-2.1 -2,-0.4 2,-0.4 -0.832 13.0-177.5-103.5 133.8 145.0 125.0 -8.4 39 39 A Q E -EF 93 45B 19 54,-2.2 54,-2.8 -2,-0.4 6,-0.1 -0.960 10.8-156.1-135.1 117.1 143.1 125.7 -5.1 40 40 A R > - 0 0 89 4,-0.6 3,-2.5 -2,-0.4 52,-0.1 -0.613 45.1 -78.3 -86.5 149.4 144.2 124.4 -1.7 41 41 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.124 116.5 4.6 -48.4 135.8 141.6 124.1 1.0 42 42 A G T 3 S+ 0 0 87 1,-0.2 2,-0.1 -3,-0.1 -2,-0.0 0.347 117.9 95.7 70.2 -7.5 140.7 127.5 2.7 43 43 A H S < S- 0 0 124 -3,-2.5 -1,-0.2 1,-0.2 2,-0.0 -0.395 71.4 -94.1-108.3-175.1 143.0 129.3 0.2 44 44 A G - 0 0 25 1,-0.1 -4,-0.6 -2,-0.1 2,-0.3 -0.145 46.6 -70.3 -91.6-172.6 142.8 131.1 -3.1 45 45 A L E -F 39 0B 16 274,-0.4 2,-0.5 -6,-0.1 273,-0.2 -0.610 39.3-166.7 -82.9 132.3 143.2 130.4 -6.8 46 46 A E E -F 38 0B 74 -8,-2.1 -8,-3.2 -2,-0.3 2,-0.2 -0.965 18.2-132.9-124.3 117.2 146.6 129.7 -8.3 47 47 A W E +F 37 0B 8 -2,-0.5 -10,-0.2 -10,-0.2 3,-0.1 -0.466 24.4 177.6 -68.0 131.5 147.2 129.7 -12.1 48 48 A I E - 0 0 16 -12,-3.0 13,-2.5 1,-0.4 2,-0.3 0.839 49.4 -64.3-102.0 -47.6 149.1 126.7 -13.3 49 49 A G E -FG 36 60B 0 -13,-1.0 -13,-1.6 11,-0.2 -1,-0.4 -0.984 38.5-113.0 175.0 179.7 149.3 127.0 -17.0 50 50 A E E -FG 35 59B 0 9,-2.0 9,-1.7 -2,-0.3 2,-0.4 -0.956 11.9-158.7-139.3 155.2 147.6 127.2 -20.4 51 51 A I E -FG 34 58B 1 -17,-2.1 -17,-2.7 -2,-0.3 7,-0.2 -0.997 11.4-149.8-136.5 136.7 147.4 125.1 -23.6 52 52 A I E >>> - G 0 57B 0 5,-2.4 4,-4.2 -2,-0.4 3,-1.1 -0.912 16.2-168.3-105.8 98.7 146.4 126.3 -27.0 53 53 A P T 345S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 21,-0.2 0.914 78.5 61.4 -55.2 -52.1 144.8 123.1 -28.5 54 54 A S T 345S+ 0 0 37 -22,-0.3 -24,-0.1 -25,-0.2 -23,-0.1 0.619 127.6 17.1 -54.8 -12.0 144.5 124.1 -32.2 55 55 A Y T <45S- 0 0 147 -3,-1.1 -1,-0.2 2,-0.1 -25,-0.0 0.575 99.6-128.6-128.9 -37.2 148.3 124.4 -32.2 56 56 A G T <5 + 0 0 46 -4,-4.2 2,-0.2 1,-0.3 16,-0.1 0.559 52.9 143.0 97.3 8.9 149.4 122.5 -29.1 57 57 A R E < -G 52 0B 105 -5,-0.6 -5,-2.4 14,-0.0 2,-0.4 -0.581 27.9-165.3 -85.8 147.2 151.7 125.0 -27.3 58 58 A A E -G 51 0B 27 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.988 9.1-167.2-134.9 142.7 151.7 125.3 -23.5 59 59 A N E -G 50 0B 8 -9,-1.7 -9,-2.0 -2,-0.4 2,-0.3 -0.920 13.9-153.3-123.9 150.2 153.1 127.9 -21.1 60 60 A Y E -G 49 0B 44 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.906 28.6 -92.0-129.7 156.8 153.5 127.4 -17.3 61 61 A N - 0 0 30 -13,-2.5 3,-0.2 -2,-0.3 -12,-0.0 -0.467 34.3-157.3 -62.6 120.8 153.6 129.5 -14.1 62 62 A E S S+ 0 0 128 -2,-0.3 -1,-0.2 1,-0.2 4,-0.1 0.636 81.7 58.6 -78.1 -16.5 157.3 130.3 -13.5 63 63 A K S S+ 0 0 175 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.818 97.1 63.5 -84.3 -31.0 157.2 131.0 -9.8 64 64 A I S S- 0 0 41 -3,-0.2 -4,-0.0 1,-0.1 0, 0.0 -0.696 100.3 -89.0 -97.5 147.4 155.9 127.6 -8.6 65 65 A Q - 0 0 151 -2,-0.3 2,-1.3 1,-0.1 3,-0.1 -0.246 46.6-117.7 -49.7 131.5 157.7 124.2 -9.0 66 66 A K + 0 0 128 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.0 -0.601 55.9 147.2 -82.3 93.6 156.7 122.8 -12.4 67 67 A K + 0 0 59 -2,-1.3 17,-1.5 16,-0.0 2,-0.3 0.358 51.8 84.0-103.3 3.3 154.9 119.5 -11.6 68 68 A A - 0 0 4 15,-0.2 2,-0.3 -3,-0.1 15,-0.2 -0.733 49.6-173.0-110.5 156.3 152.5 119.8 -14.6 69 69 A T - 0 0 66 13,-0.4 13,-2.4 -2,-0.3 2,-0.3 -0.904 18.9-149.4-146.8 112.2 152.7 118.9 -18.2 70 70 A L E +C 81 0A 11 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.683 22.7 161.3 -94.2 139.8 149.8 119.9 -20.5 71 71 A T E -C 80 0A 56 9,-2.2 9,-3.1 -2,-0.3 2,-0.3 -0.917 17.5-153.4-143.3 165.2 148.6 118.1 -23.6 72 72 A A E -C 79 0A 40 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.998 13.1-142.2-147.9 148.8 145.4 118.1 -25.7 73 73 A D E >> -C 78 0A 58 5,-2.7 5,-1.4 -2,-0.3 4,-0.8 -0.892 11.3-165.2-113.7 98.9 143.5 115.8 -28.0 74 74 A K T 45S+ 0 0 139 -2,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.848 84.9 52.1 -50.8 -42.1 142.0 117.7 -30.9 75 75 A S T 45S+ 0 0 108 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.911 117.1 33.6 -65.7 -48.0 139.6 114.9 -31.9 76 76 A S T 45S- 0 0 48 -3,-0.2 -1,-0.2 2,-0.1 -52,-0.2 0.322 103.7-124.4 -92.3 8.5 137.9 114.2 -28.5 77 77 A S T <5 + 0 0 50 -4,-0.8 -53,-2.9 -3,-0.5 2,-0.4 0.882 62.1 144.3 50.0 45.7 138.1 117.8 -27.4 78 78 A T E < -BC 23 73A 6 -5,-1.4 -5,-2.7 -55,-0.2 2,-0.4 -0.959 39.1-157.1-122.9 128.8 139.9 116.8 -24.2 79 79 A A E -BC 22 72A 4 -57,-2.5 -57,-0.9 -2,-0.4 2,-0.4 -0.837 15.5-157.4-100.5 136.7 142.7 118.7 -22.4 80 80 A F E -BC 21 71A 49 -9,-3.1 -9,-2.2 -2,-0.4 2,-0.5 -0.931 10.8-160.9-120.4 139.7 145.0 116.7 -20.1 81 81 A M E -BC 20 70A 0 -61,-2.7 -61,-2.4 -2,-0.4 2,-0.8 -0.964 9.6-155.8-119.4 119.6 147.2 117.7 -17.1 82 82 A Q E -B 19 0A 48 -13,-2.4 2,-0.5 -2,-0.5 -13,-0.4 -0.825 10.9-174.1 -97.5 106.4 150.0 115.4 -16.2 83 83 A L E -B 18 0A 6 -65,-2.4 -65,-1.4 -2,-0.8 2,-0.3 -0.871 10.6-168.7 -99.8 130.7 151.1 115.8 -12.5 84 84 A S + 0 0 53 -17,-1.5 -67,-0.2 -2,-0.5 -68,-0.1 -0.889 55.0 7.8-124.7 155.1 154.1 113.8 -11.4 85 85 A S S S- 0 0 72 -70,-0.6 -1,-0.2 -2,-0.3 -68,-0.2 0.936 81.2-163.6 44.7 62.8 155.9 112.9 -8.2 86 86 A L - 0 0 0 -70,-2.5 -71,-2.7 -73,-0.3 2,-0.2 -0.480 13.0-175.8 -80.1 144.8 153.1 114.3 -6.0 87 87 A T > - 0 0 52 -73,-0.2 3,-1.8 -2,-0.2 4,-0.3 -0.740 49.6 -81.8-128.0 177.0 153.5 115.1 -2.3 88 88 A S G > S+ 0 0 89 1,-0.3 3,-1.0 -2,-0.2 28,-0.2 0.754 125.8 65.9 -53.7 -24.4 151.1 116.3 0.4 89 89 A E G 3 S+ 0 0 102 1,-0.2 -1,-0.3 -49,-0.0 -3,-0.1 0.871 95.3 57.9 -64.6 -36.4 151.7 119.8 -0.9 90 90 A D G < S+ 0 0 13 -3,-1.8 2,-0.4 2,-0.0 -1,-0.2 0.469 74.8 111.6 -76.8 -3.7 150.0 118.9 -4.2 91 91 A S < + 0 0 31 -3,-1.0 2,-0.3 -4,-0.3 24,-0.2 -0.595 48.7 103.2 -73.1 128.8 146.6 117.8 -2.7 92 92 A A E S- H 0 114B 5 22,-0.9 22,-2.7 -2,-0.4 2,-0.6 -0.970 75.4 -71.5 176.8 178.8 144.0 120.4 -3.8 93 93 A V E -EH 39 113B 35 -54,-2.8 -54,-2.2 -2,-0.3 2,-0.6 -0.865 42.1-157.9 -97.8 124.7 141.1 121.1 -6.2 94 94 A Y E -EH 38 112B 6 18,-2.0 18,-2.1 -2,-0.6 2,-0.3 -0.910 9.1-170.1-106.2 116.2 142.3 121.5 -9.8 95 95 A Y E -E 37 0B 12 -58,-3.1 -58,-2.9 -2,-0.6 2,-0.4 -0.719 9.3-154.0-101.0 152.5 139.9 123.4 -12.0 96 96 A a E -E 36 0B 0 -2,-0.3 13,-2.4 -60,-0.2 2,-0.3 -0.931 17.5-175.2-119.1 148.4 140.2 123.8 -15.8 97 97 A A E -EI 35 108B 0 -62,-1.7 -62,-3.2 -2,-0.4 2,-0.5 -0.965 20.4-128.3-141.0 159.2 138.7 126.8 -17.5 98 98 A R E -EI 34 107B 3 9,-2.0 8,-1.1 -2,-0.3 9,-1.0 -0.942 19.4-173.3-114.5 130.1 138.3 128.0 -21.1 99 99 A E E -EI 33 105B 0 -66,-2.5 -66,-2.6 -2,-0.5 6,-0.1 -0.975 21.7-144.1-121.2 134.3 139.4 131.4 -22.3 100 100 A R - 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