==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 24-JUN-11 3SLJ . COMPND 2 MOLECULE: SERINE PROTEASE ESPP; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.B.BARNARD,N.NOINAJ,N.C.EASLEY,A.J.KUSZAK,S.K.BUCHANAN . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 84.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 197 64.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 0 2 1 1 0 0 2 0 2 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 1 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 1 996 A H > 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -31.9 -4.6 -52.5 -48.4 2 997 A H H > + 0 0 164 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.937 360.0 49.2 -68.5 -47.0 -4.9 -51.4 -44.8 3 998 A H H > S+ 0 0 158 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 110.1 52.0 -58.5 -42.9 -1.2 -50.4 -44.7 4 999 A A H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.924 111.1 46.3 -58.5 -47.4 -1.7 -48.4 -47.9 5 1000 A N H X S+ 0 0 92 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.875 111.1 53.5 -65.8 -36.3 -4.7 -46.6 -46.5 6 1001 A K H X S+ 0 0 133 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.947 112.4 42.8 -62.1 -49.8 -2.8 -45.9 -43.3 7 1002 A E H X S+ 0 0 27 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.933 114.1 50.9 -62.7 -47.0 0.2 -44.3 -45.2 8 1003 A A H X S+ 0 0 41 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.933 112.4 47.5 -55.3 -48.3 -2.1 -42.4 -47.5 9 1004 A T H X S+ 0 0 45 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.934 111.9 49.2 -57.3 -50.1 -4.0 -41.1 -44.5 10 1005 A R H X S+ 0 0 127 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.913 115.6 44.0 -57.3 -45.3 -0.8 -40.1 -42.6 11 1006 A N H X S+ 0 0 26 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.930 112.0 50.2 -68.3 -48.8 0.6 -38.3 -45.7 12 1007 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 5,-0.2 0.936 112.8 48.8 -54.6 -47.8 -2.6 -36.5 -46.6 13 1008 A A H X S+ 0 0 38 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.905 110.7 50.2 -59.8 -44.6 -2.9 -35.3 -43.0 14 1009 A A H X S+ 0 0 26 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.947 113.1 45.8 -57.7 -50.1 0.7 -34.1 -43.0 15 1010 A L H >< S+ 0 0 6 -4,-2.7 3,-0.9 1,-0.2 4,-0.2 0.914 116.0 44.3 -62.7 -44.9 0.3 -32.1 -46.2 16 1011 A F H >X S+ 0 0 7 -4,-2.6 3,-1.5 -5,-0.2 4,-0.5 0.778 96.7 76.4 -73.7 -25.2 -3.0 -30.5 -45.3 17 1012 A S H >X S+ 0 0 31 -4,-2.0 4,-1.5 1,-0.3 3,-0.9 0.740 76.4 77.5 -58.2 -23.4 -1.8 -29.7 -41.7 18 1013 A V H S+ 0 0 4 -3,-1.5 4,-1.6 -4,-0.2 -1,-0.3 0.897 104.7 49.4 -61.1 -36.8 -2.8 -24.7 -43.4 20 1015 A Y H < S+ 0 0 0 -4,-1.6 3,-1.3 -5,-0.2 -2,-0.2 0.933 111.5 50.5 -69.0 -48.4 -3.0 -20.1 -39.1 24 1019 A L H >< S+ 0 0 14 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.815 102.8 62.8 -60.6 -32.7 -1.2 -20.7 -35.8 25 1020 A N T 3< S+ 0 0 16 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.685 97.5 56.3 -66.1 -22.2 1.8 -18.6 -37.0 26 1021 A E T < S+ 0 0 5 -3,-1.3 2,-0.6 -4,-0.4 -1,-0.3 0.419 86.4 100.1 -91.3 0.3 -0.4 -15.5 -37.2 27 1022 A V < + 0 0 18 -3,-1.4 2,-0.1 -4,-0.2 152,-0.0 -0.791 44.8 145.0 -92.6 122.7 -1.5 -15.8 -33.6 28 1023 A A - 0 0 17 -2,-0.6 2,-0.3 3,-0.0 3,-0.1 -0.259 35.5-121.3-125.7-149.3 0.3 -13.5 -31.2 29 1024 A N > - 0 0 27 -2,-0.1 4,-2.3 1,-0.1 5,-0.3 -0.938 36.1 -86.8-156.2 175.9 -0.5 -11.5 -28.0 30 1025 A L H >>S+ 0 0 3 -2,-0.3 4,-3.4 1,-0.2 5,-0.6 0.935 124.1 41.8 -57.8 -52.5 -0.5 -8.0 -26.7 31 1026 A N H >5S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.914 115.7 49.4 -65.4 -41.6 3.2 -7.9 -25.6 32 1027 A K H 45S+ 0 0 18 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.824 121.8 35.1 -66.3 -30.8 4.5 -9.8 -28.6 33 1028 A R H <5S+ 0 0 7 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.916 134.8 15.9 -87.7 -47.0 2.6 -7.5 -31.0 34 1029 A M H <5S- 0 0 1 -4,-3.4 -3,-0.2 1,-0.3 2,-0.2 0.565 88.3-138.9-109.7 -14.2 2.7 -4.1 -29.4 35 1030 A G << - 0 0 3 -4,-1.6 2,-0.5 -5,-0.6 -1,-0.3 -0.502 63.2 -20.4 76.0-155.3 5.4 -4.2 -26.7 36 1031 A D + 0 0 12 -2,-0.2 266,-0.0 235,-0.1 -5,-0.0 -0.767 57.4 178.9 -91.0 123.0 4.6 -2.5 -23.4 37 1032 A L > + 0 0 0 -2,-0.5 3,-0.6 45,-0.0 2,-0.2 0.253 39.0 120.6-110.0 12.3 1.8 0.1 -23.6 38 1033 A R T 3 S+ 0 0 43 1,-0.2 -2,-0.1 83,-0.0 80,-0.0 -0.555 78.2 1.6 -83.3 139.4 1.7 1.2 -20.0 39 1034 A D T 3 S+ 0 0 136 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.898 82.4 161.7 54.2 49.3 2.3 4.8 -19.0 40 1035 A I < - 0 0 6 -3,-0.6 -1,-0.2 1,-0.1 236,-0.1 -0.866 25.5-166.2 -99.8 132.8 2.8 6.2 -22.5 41 1036 A N + 0 0 120 -2,-0.5 -1,-0.1 234,-0.3 264,-0.1 0.894 56.7 95.0 -86.2 -42.1 2.5 9.9 -22.9 42 1037 A G - 0 0 13 233,-0.3 -2,-0.1 1,-0.1 262,-0.0 -0.133 64.5-145.7 -52.7 143.6 2.3 10.3 -26.7 43 1038 A E S S+ 0 0 120 262,-0.2 32,-1.9 31,-0.1 2,-0.3 0.327 82.5 37.3 -96.4 8.8 -1.3 10.5 -28.2 44 1039 A A E -A 74 0A 29 30,-0.3 261,-1.8 40,-0.0 2,-0.3 -0.945 68.7-166.9-150.0 167.2 -0.2 8.7 -31.3 45 1040 A G E -AB 73 304A 3 28,-1.7 28,-1.8 -2,-0.3 2,-0.4 -0.993 15.3-162.4-162.1 146.0 2.1 5.8 -32.2 46 1041 A A E +AB 72 303A 39 257,-2.1 257,-3.5 -2,-0.3 2,-0.3 -0.999 24.5 176.9-132.7 136.6 3.8 4.0 -35.0 47 1042 A W E -AB 71 302A 10 24,-2.4 24,-2.1 -2,-0.4 2,-0.3 -0.963 17.4-161.7-145.0 155.8 5.2 0.5 -34.5 48 1043 A A E -AB 70 301A 43 253,-2.2 253,-2.3 -2,-0.3 2,-0.3 -0.962 7.9-170.1-137.2 153.4 7.0 -2.4 -36.2 49 1044 A R E -AB 69 300A 9 20,-2.6 20,-2.5 -2,-0.3 2,-0.4 -0.999 5.4-173.8-146.0 141.1 7.4 -6.0 -35.4 50 1045 A I E -AB 68 299A 84 249,-2.8 249,-2.7 -2,-0.3 2,-0.4 -0.995 5.6-177.7-136.5 134.3 9.5 -8.9 -36.8 51 1046 A M E -AB 67 298A 6 16,-3.0 16,-3.3 -2,-0.4 2,-0.4 -0.981 3.9-178.2-127.6 144.8 9.3 -12.5 -35.7 52 1047 A S E +AB 66 297A 54 245,-2.2 245,-2.9 -2,-0.4 2,-0.3 -0.995 19.4 148.6-139.5 136.7 11.4 -15.5 -36.9 53 1048 A G E -AB 65 296A 7 12,-1.9 12,-2.1 -2,-0.4 2,-0.3 -0.979 30.3-143.3-160.8 169.7 10.9 -19.0 -35.7 54 1049 A T E +AB 64 295A 50 241,-2.3 241,-1.8 -2,-0.3 240,-1.5 -0.996 17.7 174.9-143.5 145.4 11.1 -22.8 -36.4 55 1050 A G E -AB 63 293A 0 8,-1.9 8,-2.4 -2,-0.3 2,-0.3 -0.919 8.7-158.5-143.3 168.4 8.9 -25.7 -35.3 56 1051 A S E +AB 62 292A 41 236,-1.8 236,-2.2 -2,-0.3 2,-0.3 -0.957 8.6 178.5-146.0 165.8 8.6 -29.4 -35.8 57 1052 A A E > -AB 61 291A 21 4,-2.2 4,-0.7 -2,-0.3 3,-0.2 -0.917 46.2 -67.1-156.1 171.8 6.2 -32.3 -35.6 58 1053 A S T >4 S+ 0 0 110 232,-0.6 3,-0.9 -2,-0.3 -1,-0.1 0.013 106.5 58.6 -63.9 174.8 6.3 -36.0 -36.4 59 1054 A G T 34 S- 0 0 37 1,-0.2 40,-2.4 39,-0.1 41,-0.3 0.634 132.0 -72.7 76.2 14.5 6.7 -37.4 -39.9 60 1055 A G T 34 S+ 0 0 47 1,-0.2 2,-0.2 -3,-0.2 -1,-0.2 0.663 87.0 164.5 72.8 16.0 9.9 -35.4 -40.1 61 1056 A F E << +A 57 0A 7 -3,-0.9 -4,-2.2 -4,-0.7 2,-0.3 -0.467 3.1 157.1 -69.4 130.6 7.8 -32.2 -40.3 62 1057 A S E +AC 56 97A 46 35,-2.5 35,-2.2 -6,-0.3 2,-0.3 -0.986 10.7 175.8-149.1 148.3 9.7 -29.0 -39.7 63 1058 A D E -AC 55 96A 6 -8,-2.4 -8,-1.9 -2,-0.3 2,-0.3 -0.921 10.4-164.4-142.0 168.1 9.0 -25.4 -40.7 64 1059 A N E -AC 54 95A 76 31,-1.6 31,-2.1 -2,-0.3 2,-0.3 -0.973 10.8-173.5-154.0 159.1 10.3 -21.9 -40.2 65 1060 A Y E -AC 53 94A 8 -12,-2.1 -12,-1.9 -2,-0.3 2,-0.4 -0.982 21.4-146.9-153.1 152.0 8.9 -18.5 -40.8 66 1061 A T E -AC 52 93A 56 27,-2.0 27,-1.7 -2,-0.3 2,-0.5 -0.981 21.1-167.6-127.4 119.1 9.6 -14.8 -40.9 67 1062 A H E -AC 51 92A 1 -16,-3.3 -16,-3.0 -2,-0.4 2,-0.4 -0.905 4.4-175.0-110.2 128.9 6.7 -12.6 -39.8 68 1063 A V E +AC 50 91A 64 23,-2.9 23,-2.8 -2,-0.5 2,-0.3 -0.981 9.4 168.6-124.4 139.1 6.8 -8.8 -40.4 69 1064 A Q E -AC 49 90A 2 -20,-2.5 -20,-2.6 -2,-0.4 2,-0.3 -0.999 12.7-172.2-150.1 142.3 4.1 -6.4 -39.2 70 1065 A V E +AC 48 89A 68 19,-2.2 19,-1.9 -2,-0.3 2,-0.3 -0.916 9.0 178.3-130.5 164.9 3.5 -2.6 -38.8 71 1066 A G E -AC 47 88A 6 -24,-2.1 -24,-2.4 -2,-0.3 2,-0.3 -0.993 16.0-160.2-158.5 161.3 0.8 -0.5 -37.2 72 1067 A V E +AC 46 87A 81 15,-1.7 15,-2.2 -2,-0.3 2,-0.3 -0.990 22.3 164.7-143.0 143.0 -0.3 3.0 -36.4 73 1068 A D E -AC 45 86A 15 -28,-1.8 -28,-1.7 -2,-0.3 2,-0.4 -0.957 33.3-121.4-149.8 168.2 -2.8 4.0 -33.8 74 1069 A K E -AC 44 85A 55 11,-2.6 11,-2.6 -2,-0.3 2,-0.6 -0.938 24.3-141.1-110.7 140.3 -4.3 6.9 -31.8 75 1070 A K E - C 0 84A 5 -32,-1.9 2,-0.5 -2,-0.4 9,-0.2 -0.913 11.8-156.1-103.9 117.0 -4.2 6.7 -28.0 76 1071 A H E - C 0 83A 75 7,-3.1 7,-2.0 -2,-0.6 2,-0.7 -0.814 10.9-140.9 -93.4 126.6 -7.3 8.1 -26.2 77 1072 A E E + C 0 82A 106 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.792 31.6 166.0 -94.4 112.7 -6.8 9.3 -22.7 78 1073 A L E > - C 0 81A 92 3,-3.1 2,-1.7 -2,-0.7 3,-1.4 -0.579 53.5 -59.8-116.4 179.6 -9.7 8.4 -20.4 79 1074 A D T 3 S- 0 0 172 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 -0.397 120.0 -24.6 -71.0 87.1 -10.1 8.3 -16.6 80 1075 A G T 3 S+ 0 0 23 -2,-1.7 39,-3.1 1,-0.2 2,-0.4 0.665 124.8 97.8 87.2 19.5 -7.4 5.9 -15.6 81 1076 A L E < -CD 78 118A 29 -3,-1.4 -3,-3.1 37,-0.2 2,-0.5 -0.991 54.8-160.7-147.2 127.5 -7.4 4.2 -18.9 82 1077 A D E -CD 77 117A 23 35,-2.4 35,-3.2 -2,-0.4 2,-0.5 -0.953 15.7-167.3-106.8 130.3 -5.4 4.5 -22.1 83 1078 A L E -CD 76 116A 47 -7,-2.0 -7,-3.1 -2,-0.5 2,-0.5 -0.961 2.0-163.6-125.3 111.8 -7.1 3.1 -25.1 84 1079 A F E -CD 75 115A 0 31,-3.0 31,-2.5 -2,-0.5 2,-0.4 -0.853 8.6-178.9 -99.6 126.8 -5.1 2.5 -28.3 85 1080 A T E +CD 74 114A 50 -11,-2.6 -11,-2.6 -2,-0.5 2,-0.3 -0.991 21.7 129.1-126.1 130.8 -7.0 2.1 -31.5 86 1081 A G E -CD 73 113A 6 27,-1.9 27,-2.3 -2,-0.4 -13,-0.3 -0.955 47.0 -97.5-165.2-178.9 -5.3 1.4 -34.7 87 1082 A F E -CD 72 112A 141 -15,-2.2 -15,-1.7 -2,-0.3 2,-0.3 -0.720 29.0-169.3-111.3 161.6 -4.6 -0.4 -37.9 88 1083 A T E -CD 71 111A 3 23,-1.7 23,-2.5 -2,-0.3 2,-0.3 -0.994 8.6-164.6-151.5 148.9 -2.1 -3.1 -38.8 89 1084 A V E -CD 70 110A 77 -19,-1.9 -19,-2.2 -2,-0.3 2,-0.3 -0.982 13.6-167.3-134.4 150.0 -0.7 -4.9 -41.8 90 1085 A T E -CD 69 109A 9 19,-2.2 19,-2.4 -2,-0.3 2,-0.3 -0.934 13.2-164.5-138.9 157.3 1.4 -8.0 -41.9 91 1086 A H E -CD 68 108A 76 -23,-2.8 -23,-2.9 -2,-0.3 2,-0.4 -0.995 11.6-173.6-138.7 139.4 3.6 -10.2 -44.2 92 1087 A T E -CD 67 107A 2 15,-2.5 15,-2.8 -2,-0.3 2,-0.4 -0.998 12.0-167.6-136.0 141.3 4.7 -13.8 -43.7 93 1088 A D E +CD 66 106A 71 -27,-1.7 -27,-2.0 -2,-0.4 2,-0.3 -0.996 20.2 177.2-121.5 125.9 7.1 -16.1 -45.5 94 1089 A S E -CD 65 105A 18 11,-2.8 11,-2.1 -2,-0.4 2,-0.3 -0.942 16.0-169.7-126.4 149.4 7.0 -19.8 -44.6 95 1090 A S E -CD 64 104A 31 -31,-2.1 -31,-1.6 -2,-0.3 2,-0.3 -0.987 10.6-171.7-131.6 149.2 8.6 -22.9 -45.7 96 1091 A A E -CD 63 103A 3 7,-2.4 7,-2.1 -2,-0.3 2,-0.3 -0.987 5.4-179.8-141.5 149.3 7.7 -26.5 -44.6 97 1092 A S E +CD 62 102A 52 -35,-2.2 -35,-2.5 -2,-0.3 2,-0.3 -0.982 7.9 160.1-144.3 149.1 9.1 -29.9 -45.1 98 1093 A A - 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