==== 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 3SLO . 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) . 14656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 81.3 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 . 195 63.9 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 7.9 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 1 1 1 1 0 0 2 1 1 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 0 126 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.7 -2.5 17.4 22.2 2 997 A H H > + 0 0 174 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.919 360.0 52.9 -74.5 -41.2 -2.5 13.7 21.1 3 998 A H H > S+ 0 0 168 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.1 50.1 -55.1 -45.7 -6.3 13.7 20.2 4 999 A A H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 109.2 50.5 -57.3 -49.0 -5.7 16.8 18.0 5 1000 A N H X S+ 0 0 63 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.845 111.0 48.4 -59.9 -39.8 -2.7 15.1 16.2 6 1001 A K H X S+ 0 0 136 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.902 112.2 49.5 -68.0 -43.3 -4.8 11.9 15.4 7 1002 A E H X S+ 0 0 88 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.983 111.9 46.3 -59.4 -59.0 -7.7 14.0 14.1 8 1003 A A H X S+ 0 0 30 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.845 113.5 51.4 -54.6 -33.4 -5.5 16.1 11.8 9 1004 A T H X S+ 0 0 42 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.916 109.9 47.9 -66.7 -47.3 -3.7 12.9 10.6 10 1005 A R H X S+ 0 0 128 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.866 116.5 44.4 -57.3 -41.1 -7.0 11.2 9.7 11 1006 A N H X S+ 0 0 18 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.891 114.3 47.0 -79.7 -41.4 -8.3 14.3 7.9 12 1007 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.923 113.2 50.4 -62.1 -48.2 -5.0 15.0 6.0 13 1008 A A H X S+ 0 0 43 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.971 111.9 47.3 -53.5 -57.0 -4.8 11.3 5.0 14 1009 A A H X S+ 0 0 20 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.895 117.8 42.2 -48.9 -48.2 -8.5 11.3 3.7 15 1010 A L H >< S+ 0 0 13 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.913 115.4 43.8 -74.1 -50.0 -8.0 14.6 1.7 16 1011 A F H >< S+ 0 0 17 -4,-2.7 3,-0.6 1,-0.2 4,-0.3 0.636 101.7 77.0 -73.3 -9.0 -4.6 14.0 0.2 17 1012 A S H >X S+ 0 0 47 -4,-1.3 3,-2.9 -5,-0.3 4,-0.8 0.894 74.4 76.7 -59.0 -41.3 -6.0 10.5 -0.5 18 1013 A V H S+ 0 0 3 -3,-0.6 4,-1.1 -4,-0.3 -1,-0.3 0.813 99.0 56.6 -63.6 -28.7 -5.0 11.9 -5.8 20 1015 A Y H <> S+ 0 0 49 -3,-2.9 4,-2.1 -4,-0.3 -1,-0.2 0.888 110.2 43.9 -68.0 -38.0 -4.6 8.1 -5.4 21 1016 A K H X S+ 0 0 8 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.842 106.9 60.7 -72.0 -36.4 -8.2 7.7 -6.7 22 1017 A A H < S+ 0 0 7 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.832 111.8 40.0 -57.6 -30.2 -7.5 10.2 -9.4 23 1018 A F H >< S+ 0 0 2 -4,-1.1 3,-1.5 -5,-0.1 -2,-0.2 0.883 112.6 53.6 -81.2 -42.9 -4.7 7.8 -10.5 24 1019 A L H >< S+ 0 0 15 -4,-2.1 3,-1.2 1,-0.3 -2,-0.2 0.782 100.2 63.1 -66.1 -30.7 -6.8 4.5 -10.0 25 1020 A N T 3< S+ 0 0 12 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.644 99.8 53.9 -60.5 -24.9 -9.6 5.9 -12.2 26 1021 A E T < S+ 0 0 7 -3,-1.5 2,-0.5 -5,-0.2 -1,-0.2 0.409 81.2 109.7 -93.2 0.4 -7.2 5.9 -15.1 27 1022 A V < + 0 0 18 -3,-1.2 2,-0.2 -4,-0.2 152,-0.0 -0.687 47.1 168.9 -83.4 124.5 -6.3 2.3 -14.7 28 1023 A D - 0 0 4 -2,-0.5 2,-0.3 4,-0.0 -2,-0.1 -0.538 26.4-141.5-117.9 177.4 -7.8 0.3 -17.6 29 1024 A N > - 0 0 25 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.883 36.8 -99.6-135.4 172.7 -7.5 -3.2 -19.1 30 1025 A L H >>S+ 0 0 3 -2,-0.3 4,-2.9 1,-0.2 5,-0.7 0.919 121.0 43.1 -60.5 -47.1 -7.6 -4.2 -22.7 31 1026 A N H >5S+ 0 0 9 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.867 112.7 52.6 -69.7 -36.4 -11.2 -5.2 -22.9 32 1027 A K H 45S+ 0 0 14 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.863 120.3 34.9 -66.2 -34.1 -12.4 -2.2 -20.8 33 1028 A R H <5S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.944 135.6 11.6 -85.5 -49.7 -10.6 0.1 -23.1 34 1029 A M H <5S- 0 0 2 -4,-2.9 -3,-0.2 1,-0.3 2,-0.2 0.559 89.4-137.0-110.8 -19.8 -10.8 -1.3 -26.6 35 1030 A G << - 0 0 2 -4,-1.0 2,-0.6 -5,-0.7 -1,-0.3 -0.537 61.3 -17.8 82.5-155.7 -13.3 -4.1 -26.5 36 1031 A D + 0 0 16 -2,-0.2 -5,-0.0 235,-0.1 235,-0.0 -0.776 57.0 177.1 -89.9 119.7 -12.7 -7.4 -28.2 37 1032 A L > + 0 0 0 -2,-0.6 3,-0.6 3,-0.0 2,-0.3 0.232 37.1 123.8-106.1 11.7 -9.9 -7.0 -30.8 38 1033 A R T 3 S- 0 0 43 1,-0.2 -2,-0.1 83,-0.0 80,-0.0 -0.608 77.4 -0.2 -81.4 132.2 -9.8 -10.7 -31.9 39 1034 A D T 3 S+ 0 0 136 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.860 79.6 162.8 65.7 49.1 -10.3 -11.5 -35.6 40 1035 A I < - 0 0 8 -3,-0.6 -1,-0.2 1,-0.1 236,-0.1 -0.855 26.3-162.1 -98.0 127.9 -10.8 -8.0 -37.1 41 1036 A N + 0 0 123 -2,-0.4 -1,-0.1 234,-0.3 264,-0.1 0.862 60.2 93.7 -77.6 -38.2 -10.5 -7.7 -40.9 42 1037 A G - 0 0 13 233,-0.3 -2,-0.1 1,-0.1 263,-0.0 -0.202 63.6-147.8 -63.8 145.9 -10.0 -3.9 -41.1 43 1038 A E S S+ 0 0 106 262,-0.1 32,-2.0 31,-0.1 2,-0.3 0.361 81.3 36.7 -97.4 9.8 -6.6 -2.3 -41.1 44 1039 A A E -A 74 0A 28 30,-0.3 261,-2.2 40,-0.0 2,-0.3 -0.962 67.1-175.0-153.6 157.7 -7.7 0.9 -39.3 45 1040 A G E -AB 73 304A 4 28,-1.8 28,-2.2 -2,-0.3 2,-0.3 -0.996 17.5-159.1-158.6 158.9 -10.1 1.7 -36.5 46 1041 A A E +AB 72 303A 40 257,-1.6 257,-2.8 -2,-0.3 2,-0.3 -0.989 23.8 176.4-140.7 137.7 -11.7 4.4 -34.5 47 1042 A W E -AB 71 302A 9 24,-2.4 24,-2.3 -2,-0.3 2,-0.3 -0.940 15.9-160.9-145.4 162.6 -13.3 3.8 -31.1 48 1043 A A E -AB 70 301A 42 253,-2.1 253,-2.6 -2,-0.3 2,-0.3 -0.970 8.3-173.4-144.4 155.9 -14.9 5.5 -28.1 49 1044 A R E -AB 69 300A 10 20,-2.8 20,-2.6 -2,-0.3 2,-0.4 -0.998 8.6-168.4-155.8 146.9 -15.6 4.6 -24.6 50 1045 A I E -AB 68 299A 85 249,-2.1 249,-2.5 -2,-0.3 2,-0.4 -0.998 5.7-175.9-136.2 131.8 -17.4 5.9 -21.5 51 1046 A M E -AB 67 298A 9 16,-2.5 16,-3.4 -2,-0.4 2,-0.3 -0.988 3.1-179.2-125.4 140.1 -17.1 4.7 -18.0 52 1047 A S E +AB 66 297A 56 245,-2.2 245,-2.3 -2,-0.4 2,-0.3 -0.981 19.6 129.8-135.7 146.6 -19.2 5.9 -15.0 53 1048 A G E -AB 65 296A 8 12,-1.8 12,-1.8 -2,-0.3 2,-0.3 -0.997 37.4-125.9 179.8 174.4 -19.1 4.9 -11.4 54 1049 A T E +AB 64 295A 42 241,-2.4 240,-2.1 -2,-0.3 241,-1.8 -0.996 18.8 175.9-146.0 146.1 -18.8 5.3 -7.7 55 1050 A G E -AB 63 293A 0 8,-1.3 8,-2.4 -2,-0.3 2,-0.3 -0.880 8.7-156.1-142.2 169.2 -16.6 4.1 -4.8 56 1051 A S E +AB 62 292A 36 236,-2.0 236,-2.0 -2,-0.3 6,-0.2 -0.996 11.9 176.8-153.2 157.5 -16.1 4.5 -1.1 57 1052 A A E > -A 61 0A 32 4,-2.3 4,-0.9 -2,-0.3 3,-0.4 -0.818 47.4 -67.8-143.8 178.0 -13.8 4.3 1.9 58 1053 A S T 4 S+ 0 0 110 232,-0.4 3,-0.2 -2,-0.2 -1,-0.1 -0.258 107.5 56.5 -74.5 169.8 -14.0 5.1 5.7 59 1054 A G T 4 S- 0 0 32 1,-0.2 40,-1.9 39,-0.1 -1,-0.2 0.493 133.0 -71.9 81.4 9.1 -14.4 8.7 7.0 60 1055 A G T 4 S+ 0 0 47 -3,-0.4 2,-0.5 1,-0.2 -2,-0.2 0.775 83.7 165.2 72.9 28.1 -17.4 8.9 4.8 61 1056 A F E < +A 57 0A 9 -4,-0.9 -4,-2.3 -3,-0.2 2,-0.3 -0.672 0.2 156.4 -77.8 121.5 -15.4 9.0 1.6 62 1057 A S E +AC 56 97A 49 35,-1.2 35,-1.9 -2,-0.5 2,-0.3 -0.968 12.5 179.3-133.8 149.6 -17.4 8.4 -1.6 63 1058 A D E -AC 55 96A 4 -8,-2.4 -8,-1.3 -2,-0.3 2,-0.3 -0.901 10.9-166.6-137.1 169.4 -16.6 9.4 -5.1 64 1059 A N E -AC 54 95A 82 31,-1.7 31,-2.0 -2,-0.3 2,-0.3 -0.873 12.6-176.8-160.0 143.0 -18.1 9.1 -8.5 65 1060 A Y E -AC 53 94A 8 -12,-1.8 -12,-1.8 -2,-0.3 2,-0.4 -0.877 22.5-145.7-140.2 155.7 -16.6 9.8 -11.9 66 1061 A T E -AC 52 93A 61 27,-2.1 27,-2.1 -2,-0.3 2,-0.5 -0.990 19.3-168.8-128.6 121.0 -17.3 9.9 -15.6 67 1062 A H E -AC 51 92A 5 -16,-3.4 -16,-2.5 -2,-0.4 2,-0.4 -0.923 3.0-174.0-113.3 127.3 -14.5 8.9 -17.9 68 1063 A V E +AC 50 91A 63 23,-3.1 23,-3.0 -2,-0.5 2,-0.3 -0.989 9.9 171.1-122.1 136.8 -14.7 9.6 -21.7 69 1064 A Q E -AC 49 90A 3 -20,-2.6 -20,-2.8 -2,-0.4 2,-0.3 -0.993 10.1-178.9-147.6 143.7 -12.0 8.3 -24.0 70 1065 A V E +AC 48 89A 67 19,-2.3 19,-1.9 -2,-0.3 2,-0.3 -0.975 9.3 171.2-137.0 153.8 -11.5 8.0 -27.8 71 1066 A G E -AC 47 88A 7 -24,-2.3 -24,-2.4 -2,-0.3 2,-0.3 -0.986 20.0-148.9-156.1 172.6 -8.8 6.6 -30.0 72 1067 A V E +AC 46 87A 81 15,-1.9 15,-1.8 -2,-0.3 2,-0.3 -0.997 22.2 171.7-141.0 146.7 -7.7 5.7 -33.5 73 1068 A D E -AC 45 86A 15 -28,-2.2 -28,-1.8 -2,-0.3 2,-0.4 -0.929 30.2-127.3-148.7 167.2 -5.3 3.0 -34.7 74 1069 A K E -AC 44 85A 102 11,-2.5 11,-2.9 -2,-0.3 2,-0.5 -0.948 23.6-145.8-111.1 141.4 -3.7 1.1 -37.5 75 1070 A K E - C 0 84A 0 -32,-2.0 2,-0.5 -2,-0.4 9,-0.2 -0.961 9.6-155.8-108.2 121.1 -3.8 -2.7 -37.5 76 1071 A H E - C 0 83A 64 7,-2.4 7,-2.2 -2,-0.5 2,-0.7 -0.851 11.8-139.7 -97.0 125.1 -0.7 -4.4 -39.0 77 1072 A E E + C 0 82A 107 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.809 32.8 164.0 -92.5 115.3 -1.3 -7.9 -40.2 78 1073 A L E > - C 0 81A 90 3,-2.8 3,-1.4 -2,-0.7 2,-1.1 -0.626 52.8 -61.6-120.9 176.6 1.5 -10.2 -39.4 79 1074 A D T 3 S- 0 0 170 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 -0.429 119.2 -22.6 -69.9 95.2 1.9 -14.0 -39.3 80 1075 A G T 3 S+ 0 0 25 -2,-1.1 39,-3.4 1,-0.2 40,-0.4 0.653 125.9 93.6 81.4 16.4 -0.6 -15.1 -36.6 81 1076 A L E < -CD 78 118A 32 -3,-1.4 -3,-2.8 37,-0.3 2,-0.5 -0.984 54.5-163.9-148.2 125.0 -0.5 -11.7 -35.1 82 1077 A D E -CD 77 117A 21 35,-2.2 35,-2.6 -2,-0.4 2,-0.6 -0.967 17.1-163.1-102.9 123.9 -2.6 -8.6 -35.4 83 1078 A L E -CD 76 116A 47 -7,-2.2 -7,-2.4 -2,-0.5 2,-0.5 -0.920 2.3-161.9-114.7 113.1 -0.8 -5.6 -33.9 84 1079 A F E -CD 75 115A 0 31,-2.8 31,-2.1 -2,-0.6 2,-0.5 -0.811 10.8-178.6 -92.7 120.3 -3.0 -2.5 -33.2 85 1080 A T E +CD 74 114A 51 -11,-2.9 -11,-2.5 -2,-0.5 2,-0.3 -0.992 21.9 131.0-122.4 126.4 -0.8 0.7 -32.8 86 1081 A G E -CD 73 113A 11 27,-2.0 27,-2.2 -2,-0.5 2,-0.3 -0.944 47.6-102.2-159.4-176.8 -2.6 3.9 -32.0 87 1082 A F E -CD 72 112A 148 -15,-1.8 -15,-1.9 -2,-0.3 2,-0.3 -0.798 28.0-167.2-113.8 157.3 -3.2 7.2 -30.1 88 1083 A T E -CD 71 111A 4 23,-2.2 23,-2.7 -2,-0.3 2,-0.3 -0.990 9.5-164.9-147.6 143.2 -5.8 8.0 -27.4 89 1084 A V E -CD 70 110A 80 -19,-1.9 -19,-2.3 -2,-0.3 2,-0.3 -0.978 15.9-169.0-126.3 145.1 -7.2 11.0 -25.6 90 1085 A T E -CD 69 109A 9 19,-1.9 19,-1.8 -2,-0.3 2,-0.3 -0.915 13.7-163.8-130.4 156.3 -9.3 10.9 -22.4 91 1086 A H E -CD 68 108A 70 -23,-3.0 -23,-3.1 -2,-0.3 2,-0.4 -0.993 10.4-176.0-138.0 135.8 -11.4 13.2 -20.2 92 1087 A T E -CD 67 107A 3 15,-1.8 15,-3.1 -2,-0.3 2,-0.5 -0.999 9.9-173.3-130.0 135.5 -12.5 12.5 -16.6 93 1088 A D E +CD 66 106A 71 -27,-2.1 -27,-2.1 -2,-0.4 2,-0.3 -0.990 20.2 170.4-118.8 121.4 -14.8 14.5 -14.3 94 1089 A S E -CD 65 105A 13 11,-2.4 11,-1.9 -2,-0.5 2,-0.3 -0.876 19.1-158.8-124.2 161.1 -14.9 13.2 -10.8 95 1090 A S E -CD 64 104A 42 -31,-2.0 -31,-1.7 -2,-0.3 2,-0.3 -0.980 13.3-176.5-137.1 152.3 -16.4 14.4 -7.5 96 1091 A A E +CD 63 103A 6 7,-2.3 7,-2.5 -2,-0.3 2,-0.3 -0.981 4.9 174.3-147.2 148.9 -15.4 13.4 -4.1 97 1092 A S E +CD 62 102A 43 -35,-1.9 -35,-1.2 -2,-0.3 2,-0.3 -0.964 5.7 168.6-154.0 172.8 -16.4 14.0 -0.5 98 1093 A A - 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