Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3stx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A ND1 GLU 72.A OE2 no hydrogen 2.594 N/A HIS 5.A NE2 THR 34.A OG1 no hydrogen 2.606 N/A PHE 6.A N ASN 32.A O no hydrogen 2.993 N/A VAL 7.A N ILE 75.A O no hydrogen 2.914 N/A LEU 8.A N THR 34.A O no hydrogen 2.898 N/A VAL 9.A N VAL 77.A O no hydrogen 2.785 N/A HIS 10.A ND1 THR 11.A O no hydrogen 2.677 N/A ALA 12.A N THR 11.A OG1 no hydrogen 2.695 N/A HIS 14.A N THR 11.A O no hydrogen 3.139 N/A HIS 14.A ND1 ALA 12.A O no hydrogen 2.952 N/A HIS 14.A NE2 TYR 158.A OH no hydrogen 2.811 N/A ALA 16.A N ASP 37.A OD1 no hydrogen 2.750 N/A CYS 18.A N GLY 15.A O no hydrogen 3.209 N/A CYS 18.A SG GLY 15.A O no hydrogen 3.161 N/A TRP 19.A N ALA 16.A O no hydrogen 3.037 N/A TYR 20.A N TRP 17.A O no hydrogen 3.039 N/A TYR 20.A OH ASP 165.A OD1 no hydrogen 2.513 N/A LYS 21.A NZ ASP 165.A OD2 no hydrogen 2.638 N/A LYS 21.A NZ MET 240.A O no hydrogen 2.826 N/A ILE 22.A N TRP 19.A O no hydrogen 2.842 N/A VAL 23.A N TRP 19.A O no hydrogen 2.868 N/A ALA 24.A N TYR 20.A O no hydrogen 3.008 N/A LEU 25.A N LYS 21.A O no hydrogen 3.214 N/A MET 26.A N ILE 22.A O no hydrogen 2.759 N/A ARG 27.A N VAL 23.A O no hydrogen 2.860 N/A SER 28.A N ALA 24.A O no hydrogen 3.116 N/A SER 29.A OG LEU 25.A O no hydrogen 3.325 N/A GLY 30.A N ARG 27.A O no hydrogen 2.956 N/A HIS 31.A N MET 26.A O no hydrogen 3.135 N/A ASN 32.A N LYS 4.A O no hydrogen 2.933 N/A THR 34.A N PHE 6.A O no hydrogen 2.893 N/A THR 34.A OG1 HIS 5.A NE2 no hydrogen 2.606 N/A LEU 36.A N LEU 8.A O no hydrogen 3.337 N/A LEU 38.A N HIS 10.A NE2 no hydrogen 3.081 N/A GLY 39.A N TYR 57.A O no hydrogen 2.966 N/A SER 41.A OG LEU 38.A O no hydrogen 3.306 N/A SER 41.A OG GLY 39.A O no hydrogen 2.766 N/A ILE 43.A N ASP 37.A OD2 no hydrogen 3.270 N/A ASN 44.A N SER 41.A O no hydrogen 3.130 N/A GLN 47.A NE2 PRO 45.A O no hydrogen 3.309 N/A GLN 50.A N GLN 47.A O no hydrogen 3.026 N/A ILE 51.A N ALA 48.A O no hydrogen 3.022 N/A PHE 54.A N ASP 183.A OD2 no hydrogen 2.943 N/A ASP 56.A N ASN 53.A O no hydrogen 2.694 N/A TYR 57.A N ASN 53.A O no hydrogen 3.382 N/A LEU 58.A N PHE 54.A O no hydrogen 2.992 N/A SER 59.A N ASP 56.A O no hydrogen 3.422 N/A SER 59.A OG GLU 63.A OE1 no hydrogen 3.212 N/A MET 62.A N LEU 58.A O no hydrogen 3.072 N/A GLU 63.A N SER 59.A O no hydrogen 2.999 N/A PHE 64.A N PRO 60.A O no hydrogen 3.253 N/A MET 65.A N LEU 61.A O no hydrogen 2.895 N/A ALA 66.A N MET 62.A O no hydrogen 2.825 N/A SER 67.A N PHE 64.A O no hydrogen 2.947 N/A SER 67.A OG PHE 64.A O no hydrogen 2.685 N/A LEU 68.A N MET 65.A O no hydrogen 3.137 N/A ILE 74.A N LYS 96.A O no hydrogen 2.897 N/A ILE 75.A N HIS 5.A O no hydrogen 2.776 N/A LEU 76.A N VAL 99.A O no hydrogen 3.019 N/A VAL 77.A N VAL 7.A O no hydrogen 2.808 N/A GLY 78.A N VAL 101.A O no hydrogen 2.895 N/A HIS 79.A N VAL 9.A O no hydrogen 2.935 N/A HIS 79.A NE2 ALA 236.A O no hydrogen 2.974 N/A ALA 80.A N LEU 103.A O no hydrogen 3.122 N/A LEU 81.A N THR 11.A OG1 no hydrogen 2.986 N/A GLY 82.A N HIS 79.A O no hydrogen 2.629 N/A GLY 83.A N ALA 80.A O no hydrogen 2.925 N/A LEU 84.A N LEU 81.A O no hydrogen 3.042 N/A ILE 86.A N GLY 82.A O no hydrogen 3.224 N/A SER 87.A N GLY 83.A O no hydrogen 2.998 N/A SER 87.A OG GLY 83.A O no hydrogen 2.845 N/A LYS 88.A N LEU 84.A O no hydrogen 3.188 N/A LYS 88.A NZ GLU 187.A O no hydrogen 2.867 N/A LYS 88.A NZ GLU 187.A OE2 no hydrogen 3.242 N/A ALA 89.A N ALA 85.A O no hydrogen 3.122 N/A MET 90.A N ILE 86.A O no hydrogen 2.990 N/A GLU 91.A N SER 87.A O no hydrogen 3.119 N/A THR 92.A N LYS 88.A O no hydrogen 3.068 N/A THR 92.A OG1 LYS 88.A O no hydrogen 2.940 N/A PHE 93.A N ALA 89.A O no hydrogen 2.797 N/A LYS 96.A N PHE 93.A O no hydrogen 3.205 N/A LYS 96.A NZ MET 65.A O no hydrogen 2.780 N/A SER 98.A N ILE 74.A O no hydrogen 2.840 N/A SER 98.A OG TYR 257.A O no hydrogen 3.528 N/A SER 98.A OG LYS 258.A O no hydrogen 2.718 N/A ALA 100.A N LYS 199.A O no hydrogen 2.904 N/A VAL 101.A N LEU 76.A O no hydrogen 2.751 N/A PHE 102.A N VAL 201.A O no hydrogen 2.845 N/A LEU 103.A N GLY 78.A O no hydrogen 3.059 N/A SER 104.A N ILE 203.A O no hydrogen 2.900 N/A SER 104.A OG ILE 203.A O no hydrogen 3.414 N/A SER 104.A OG ALA 205.A O no hydrogen 3.011 N/A LEU 106.A N ALA 80.A O no hydrogen 2.739 N/A GLY 109.A N ILE 112.A O no hydrogen 2.878 N/A ILE 112.A N GLY 109.A O no hydrogen 3.146 N/A THR 116.A N ASP 113.A O no hydrogen 2.964 N/A THR 116.A OG1 ASP 113.A OD1.A no hydrogen 2.414 N/A VAL 117.A N ASP 113.A O no hydrogen 3.320 N/A CYS 118.A N ALA 114.A O no hydrogen 3.104 N/A CYS 118.A SG ALA 114.A O no hydrogen 3.296 N/A THR 119.A N THR 115.A O no hydrogen 3.331 N/A THR 119.A OG1 THR 115.A O no hydrogen 2.642 N/A LYS 120.A N THR 116.A O no hydrogen 3.339 N/A ALA 121.A N VAL 117.A O no hydrogen 2.973 N/A GLY 122.A N CYS 118.A O no hydrogen 2.952 N/A SER 123.A N LYS 120.A O no hydrogen 3.140 N/A SER 123.A OG LYS 120.A O no hydrogen 2.757 N/A LEU 126.A N GLY 122.A O no hydrogen 2.929 N/A GLN 128.A NE2 ALA 124.A O no hydrogen 2.890 N/A ASN 131.A N GLN 128.A O no hydrogen 3.184 N/A ASN 131.A ND2 VAL 125.A O no hydrogen 2.823 N/A CYS 132.A N ILE 147.A O no hydrogen 3.245 N/A THR 134.A N THR 145.A O no hydrogen 2.960 N/A THR 134.A OG1 GLU 136.A OE1 no hydrogen 2.737 N/A THR 134.A OG1 GLU 136.A OE2 no hydrogen 3.395 N/A THR 134.A OG1 THR 145.A OG1 no hydrogen 2.527 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 3.009 N/A ASN 137.A N THR 144.A OG1 no hydrogen 3.125 N/A ASN 141.A N GLY 138.A O no hydrogen 2.846 N/A ASN 141.A ND2 ASN 137.A O no hydrogen 2.718 N/A THR 144.A N THR 134.A O no hydrogen 2.770 N/A THR 145.A N THR 134.A OG1 no hydrogen 3.198 N/A THR 145.A OG1 THR 134.A OG1 no hydrogen 2.527 N/A LEU 146.A N LEU 176.A O no hydrogen 2.832 N/A ILE 147.A N CYS 132.A O no hydrogen 2.837 N/A GLY 149.A N ASN 131.A OD1 no hydrogen 2.963 N/A LYS 151.A N ASP 130.A OD2 no hydrogen 3.146 N/A PHE 152.A N ASP 130.A OD1 no hydrogen 2.972 N/A LEU 153.A N GLY 149.A O no hydrogen 3.042 N/A ALA 154.A N PRO 150.A O no hydrogen 2.906 N/A THR 155.A N LYS 151.A O no hydrogen 2.976 N/A THR 155.A OG1 LYS 151.A O no hydrogen 2.619 N/A THR 155.A OG1 ASN 156.A OD1 no hydrogen 3.360 N/A ASN 156.A N PHE 152.A O no hydrogen 2.768 N/A VAL 157.A N LEU 153.A O no hydrogen 3.069 N/A TYR 158.A N LEU 153.A O no hydrogen 2.703 N/A TYR 158.A OH HIS 14.A NE2 no hydrogen 2.811 N/A LEU 160.A N ASP 235.A OD2 no hydrogen 3.219 N/A SER 161.A N TYR 158.A O no hydrogen 2.869 N/A SER 161.A OG ASP 235.A OD1 no hydrogen 3.550 N/A SER 161.A OG ASP 235.A OD2 no hydrogen 2.751 N/A GLU 164.A N GLU 164.A OE2 no hydrogen 2.767 N/A ASP 165.A N PRO 162.A O no hydrogen 3.097 N/A LEU 166.A N PRO 162.A O no hydrogen 3.410 N/A ALA 167.A N ILE 163.A O no hydrogen 3.163 N/A LEU 168.A N GLU 164.A O no hydrogen 2.670 N/A ALA 169.A N ASP 165.A O no hydrogen 2.851 N/A THR 170.A N LEU 166.A O no hydrogen 2.823 N/A THR 170.A OG1 LEU 166.A O no hydrogen 2.873 N/A ALA 171.A N ALA 167.A O no hydrogen 3.200 N/A LEU 172.A N ALA 169.A O no hydrogen 2.750 N/A VAL 173.A N ALA 169.A O no hydrogen 2.867 N/A ARG 174.A N PHE 13.A O no hydrogen 3.131 N/A ARG 174.A NH1 GLY 42.A O no hydrogen 2.891 N/A ARG 174.A NH1 ASN 44.A O no hydrogen 2.766 N/A ARG 174.A NH2 LYS 46.A O no hydrogen 2.612 N/A LEU 176.A N LEU 146.A O no hydrogen 2.908 N/A LEU 178.A N THR 144.A O no hydrogen 2.738 N/A TYR 179.A N TYR 177.A O no hydrogen 3.100 N/A TYR 179.A OH ILE 51.A O no hydrogen 3.013 N/A ILE 184.A N LEU 180.A O no hydrogen 3.067 N/A SER 185.A N ALA 181.A O no hydrogen 3.023 N/A SER 185.A OG ALA 181.A O no hydrogen 2.725 N/A SER 185.A OG GLU 182.A O no hydrogen 2.881 N/A LYS 186.A N GLU 182.A O no hydrogen 3.044 N/A GLU 187.A N ASP 183.A O no hydrogen 3.008 N/A GLU 187.A N ILE 184.A O no hydrogen 3.243 N/A VAL 188.A N ILE 184.A O no hydrogen 2.880 N/A SER 191.A N GLU 91.A OE2 no hydrogen 2.832 N/A SER 191.A OG GLU 91.A OE1 no hydrogen 2.699 N/A SER 191.A OG GLU 91.A OE2 no hydrogen 3.243 N/A ARG 194.A NE GLU 91.A O no hydrogen 2.842 N/A TYR 195.A N GLU 91.A OE2 no hydrogen 3.303 N/A GLY 196.A N SER 191.A O no hydrogen 3.209 N/A SER 197.A N ARG 194.A O no hydrogen 2.825 N/A SER 197.A OG LYS 193.A O no hydrogen 3.367 N/A SER 197.A OG ARG 194.A O no hydrogen 2.776 N/A VAL 198.A N TYR 195.A O no hydrogen 3.266 N/A ARG 200.A N ASP 226.A OD2 no hydrogen 2.963 N/A ARG 200.A NH1 ASN 223.A O no hydrogen 3.127 N/A ARG 200.A NH2 ASN 223.A OD1 no hydrogen 3.232 N/A VAL 201.A N ALA 100.A O no hydrogen 2.860 N/A PHE 202.A N GLU 227.A O no hydrogen 3.073 N/A ILE 203.A N PHE 102.A O no hydrogen 3.026 N/A VAL 204.A N LYS 229.A O no hydrogen 2.988 N/A ALA 205.A N SER 104.A OG no hydrogen 2.966 N/A LYS 212.A N ASP 209.A OD2 no hydrogen 2.891 N/A LYS 213.A N ASP 209.A O no hydrogen 3.146 N/A LYS 213.A NZ GLU 230.A OE2 no hydrogen 3.340 N/A GLU 214.A N ALA 210.A O no hydrogen 2.965 N/A PHE 215.A N LEU 211.A O no hydrogen 3.226 N/A LEU 216.A N LYS 212.A O no hydrogen 3.041 N/A LYS 217.A N LYS 213.A O no hydrogen 2.823 N/A LYS 217.A NZ GLU 214.A OE2 no hydrogen 2.876 N/A LEU 218.A N GLU 214.A O no hydrogen 2.656 N/A MET 219.A N PHE 215.A O no hydrogen 3.066 N/A ILE 220.A N LEU 216.A O no hydrogen 3.118 N/A GLU 221.A N LYS 217.A O no hydrogen 3.076 N/A GLU 221.A N LEU 218.A O no hydrogen 3.248 N/A LYS 222.A N LEU 218.A O no hydrogen 3.062 N/A ASN 223.A N MET 219.A O no hydrogen 3.026 N/A ASN 223.A ND2 MET 107.A O no hydrogen 3.059 N/A ASN 223.A ND2 TYR 195.A OH no hydrogen 3.030 N/A ASP 226.A N ARG 200.A O no hydrogen 2.919 N/A GLU 227.A N ARG 200.A O no hydrogen 3.360 N/A LYS 229.A N PHE 202.A O no hydrogen 2.761 N/A LYS 229.A NZ SER 252.A OG no hydrogen 3.100 N/A ILE 231.A N VAL 204.A O no hydrogen 3.068 N/A GLY 233.A N GLU 207.A OE1 no hydrogen 2.918 N/A SER 234.A OG ASP 235.A O no hydrogen 2.627 N/A SER 234.A OG THR 238.A OG1 no hydrogen 3.133 N/A ASP 235.A N SER 241.A OG no hydrogen 3.291 N/A ALA 236.A N VAL 157.A O no hydrogen 3.248 N/A VAL 237.A N ASP 235.A OD1 no hydrogen 3.141 N/A THR 238.A OG1 SER 234.A OG no hydrogen 3.133 N/A MET 240.A N VAL 237.A O no hydrogen 2.884 N/A SER 241.A N VAL 237.A O no hydrogen 3.052 N/A SER 241.A OG ASP 235.A OD1 no hydrogen 2.702 N/A SER 241.A OG VAL 237.A O no hydrogen 3.397 N/A LYS 242.A N THR 238.A O no hydrogen 2.837 N/A GLN 245.A N GLN 245.A OE1 no hydrogen 2.807 N/A LEU 246.A N LYS 242.A O no hydrogen 3.022 N/A PHE 247.A N PRO 243.A O no hydrogen 2.871 N/A THR 248.A N GLN 244.A O no hydrogen 2.979 N/A THR 248.A OG1 GLN 244.A O no hydrogen 3.312 N/A THR 249.A N GLN 245.A O no hydrogen 2.900 N/A THR 249.A OG1 GLN 245.A O no hydrogen 2.850 N/A LEU 250.A N LEU 246.A O no hydrogen 2.777 N/A LEU 251.A N PHE 247.A O no hydrogen 2.805 N/A SER 252.A N THR 248.A O no hydrogen 2.819 N/A ILE 253.A N THR 249.A O no hydrogen 3.008 N/A ALA 254.A N LEU 250.A O no hydrogen 2.997 N/A ASN 255.A N LEU 251.A O no hydrogen 2.964 N/A LYS 256.A N SER 252.A O no hydrogen 3.276 N/A LYS 256.A NZ GLU 227.A OE1 no hydrogen 3.222 N/A LYS 256.A NZ GLU 227.A OE2 no hydrogen 3.116 N/A TYR 257.A N ILE 253.A O no hydrogen 3.111 N/A TYR 257.A OH GLU 227.A OE2 no hydrogen 3.018 N/A