Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pwh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 5.A OE2 no hydrogen 3.231 N/A LYS 10.A NZ GLU 154.A OE1 no hydrogen 3.246 N/A LYS 10.A NZ GLU 154.A OE2 no hydrogen 2.580 N/A THR 11.A OG1 ASP 32.A OD1 no hydrogen 2.811 N/A ARG 14.A N LEU 29.A O no hydrogen 2.801 N/A ARG 14.A NH1 GLU 262.A OE1 no hydrogen 3.025 N/A SER 16.A N VAL 27.A O no hydrogen 2.918 N/A SER 16.A OG GLU 262.A OE2 no hydrogen 2.775 N/A LEU 19.A N SER 16.A OG no hydrogen 3.238 N/A SER 20.A N SER 16.A O no hydrogen 3.147 N/A SER 20.A OG SER 16.A O no hydrogen 2.510 N/A SER 20.A OG VAL 27.A O no hydrogen 3.520 N/A LYS 21.A N MET 17.A O no hydrogen 3.143 N/A LYS 21.A N ALA 18.A O no hydrogen 3.189 N/A VAL 22.A N ALA 18.A O no hydrogen 3.303 N/A ALA 23.A N LEU 19.A O no hydrogen 2.854 N/A GLY 24.A N SER 20.A O no hydrogen 3.016 N/A THR 25.A OG1 SER 26.A O no hydrogen 3.566 N/A VAL 27.A N SER 20.A OG no hydrogen 2.740 N/A PHE 28.A N LEU 298.A O no hydrogen 2.836 N/A LEU 29.A N ARG 14.A O no hydrogen 2.660 N/A LYS 30.A N VAL 300.A O no hydrogen 2.986 N/A LYS 30.A NZ THR 11.A O no hydrogen 3.014 N/A LYS 30.A NZ GLU 151.A OE1 no hydrogen 2.764 N/A MET 31.A N PRO 12.A O no hydrogen 2.943 N/A ASP 32.A N LYS 30.A O no hydrogen 2.728 N/A SER 34.A N MET 31.A O no hydrogen 3.007 N/A GLN 35.A N ASP 32.A O no hydrogen 3.208 N/A GLN 35.A NE2 VAL 9.A O no hydrogen 3.299 N/A GLY 38.A N GLN 35.A O no hydrogen 3.145 N/A PHE 40.A N CYS 303.A O no hydrogen 3.232 N/A ILE 42.A N SER 39.A O no hydrogen 3.514 N/A ARG 43.A N PHE 40.A O no hydrogen 2.919 N/A ARG 43.A NE ASP 32.A OD1 no hydrogen 3.352 N/A ARG 43.A NE ASP 32.A OD2 no hydrogen 2.863 N/A ARG 43.A NH1 SER 147.A OG no hydrogen 2.828 N/A ARG 43.A NH1 GLU 151.A OE2 no hydrogen 2.831 N/A ARG 43.A NH2 ASP 32.A OD1 no hydrogen 3.058 N/A ARG 43.A NH2 GLU 151.A OE1 no hydrogen 2.862 N/A ARG 43.A NH2 GLU 151.A OE2 no hydrogen 3.305 N/A ILE 45.A N LYS 41.A O no hydrogen 2.842 N/A GLY 46.A N ILE 42.A O no hydrogen 2.840 N/A HIS 47.A N ARG 43.A O no hydrogen 3.255 N/A LEU 48.A N GLY 44.A O no hydrogen 3.041 N/A CYS 49.A N ILE 45.A O no hydrogen 3.064 N/A CYS 49.A SG ILE 45.A O no hydrogen 3.355 N/A LYS 50.A N GLY 46.A O no hydrogen 2.927 N/A LYS 50.A NZ GLN 4.A O no hydrogen 3.026 N/A LYS 50.A NZ GLU 5.A O no hydrogen 2.878 N/A MET 51.A N HIS 47.A O no hydrogen 3.078 N/A LYS 52.A N LEU 48.A O no hydrogen 2.861 N/A ALA 53.A N CYS 49.A O no hydrogen 2.677 N/A LYS 54.A N LYS 50.A O no hydrogen 3.084 N/A GLN 55.A N LYS 52.A O no hydrogen 3.156 N/A GLY 56.A N ALA 53.A O no hydrogen 3.083 N/A CYS 57.A N LYS 52.A O no hydrogen 3.148 N/A CYS 57.A SG LYS 52.A O no hydrogen 3.275 N/A LYS 58.A N GLY 129.A O no hydrogen 2.744 N/A HIS 59.A N GLY 129.A O no hydrogen 3.347 N/A HIS 59.A NE2 THR 84.A OG1 no hydrogen 2.830 N/A PHE 60.A N PRO 82.A O no hydrogen 3.236 N/A VAL 61.A N VAL 131.A O no hydrogen 2.935 N/A CYS 62.A N THR 84.A O no hydrogen 3.020 N/A CYS 62.A SG SER 63.A O no hydrogen 3.929 N/A CYS 62.A SG THR 72.A OG1 no hydrogen 3.599 N/A CYS 62.A SG ILE 133.A O no hydrogen 3.432 N/A SER 64.A N VAL 86.A O no hydrogen 2.832 N/A GLY 66.A N SER 64.A OG no hydrogen 2.749 N/A ASN 67.A ND2 GLU 267.A OE2 no hydrogen 2.739 N/A GLY 69.A N SER 64.A OG no hydrogen 3.008 N/A MET 70.A N GLY 66.A O no hydrogen 2.927 N/A ALA 71.A N ASN 67.A O no hydrogen 2.961 N/A THR 72.A N ALA 68.A O no hydrogen 2.903 N/A THR 72.A OG1 ALA 68.A O no hydrogen 3.118 N/A ALA 73.A N GLY 69.A O no hydrogen 2.944 N/A TYR 74.A N MET 70.A O no hydrogen 2.907 N/A ALA 75.A N ALA 71.A O no hydrogen 2.920 N/A ALA 76.A N THR 72.A O no hydrogen 2.947 N/A ARG 77.A N ALA 73.A O no hydrogen 3.127 N/A ARG 77.A NH1 GLU 102.A OE2 no hydrogen 2.830 N/A ARG 78.A N TYR 74.A O no hydrogen 3.214 N/A LEU 79.A N ALA 75.A O no hydrogen 2.780 N/A GLY 80.A N ARG 77.A O no hydrogen 2.970 N/A LEU 81.A N ALA 76.A O no hydrogen 2.797 N/A THR 84.A N PHE 60.A O no hydrogen 2.808 N/A THR 84.A OG1 HIS 59.A NE2 no hydrogen 2.830 N/A ILE 85.A N THR 105.A O no hydrogen 2.622 N/A VAL 86.A N CYS 62.A O no hydrogen 2.698 N/A VAL 87.A N GLU 107.A O no hydrogen 2.878 N/A SER 89.A N GLY 110.A O no hydrogen 2.686 N/A THR 91.A N PRO 88.A O no hydrogen 2.929 N/A THR 95.A N PRO 92.A O no hydrogen 2.795 N/A THR 95.A OG1 ASN 307.A OD1 no hydrogen 2.646 N/A ILE 96.A N PRO 92.A O no hydrogen 3.003 N/A GLU 97.A N ALA 93.A O no hydrogen 3.014 N/A ARG 98.A N LEU 94.A O no hydrogen 3.169 N/A LEU 99.A N THR 95.A O no hydrogen 2.842 N/A LYS 100.A N ILE 96.A O no hydrogen 3.049 N/A LYS 100.A NZ GLU 97.A OE1 no hydrogen 3.227 N/A ASN 101.A N GLU 97.A O no hydrogen 2.838 N/A GLU 102.A N ARG 98.A O no hydrogen 3.316 N/A GLU 102.A N LEU 99.A O no hydrogen 2.992 N/A GLY 103.A N LYS 100.A O no hydrogen 2.750 N/A THR 105.A N ALA 83.A O no hydrogen 2.878 N/A GLU 107.A N ILE 85.A O no hydrogen 2.850 N/A VAL 109.A N VAL 87.A O no hydrogen 2.934 N/A GLU 115.A N MET 112.A O no hydrogen 2.856 N/A ALA 116.A N MET 112.A O no hydrogen 3.443 N/A ILE 117.A N LEU 113.A O no hydrogen 2.917 N/A GLN 118.A N ASP 114.A O no hydrogen 2.797 N/A LEU 119.A N GLU 115.A O no hydrogen 2.973 N/A ALA 120.A N ALA 116.A O no hydrogen 3.068 N/A LYS 121.A N ILE 117.A O no hydrogen 2.905 N/A ALA 122.A N GLN 118.A O no hydrogen 2.948 N/A LEU 123.A N LEU 119.A O no hydrogen 2.893 N/A GLU 124.A N ALA 120.A O no hydrogen 3.131 N/A LYS 125.A N LYS 121.A O no hydrogen 2.844 N/A ASN 126.A N ALA 122.A O no hydrogen 2.972 N/A ASN 126.A N LEU 123.A O no hydrogen 3.297 N/A ASN 127.A ND2 LEU 123.A O no hydrogen 2.802 N/A TRP 130.A N ASN 127.A O no hydrogen 2.984 N/A VAL 131.A N HIS 59.A O no hydrogen 2.889 N/A TYR 132.A N GLU 124.A OE2 no hydrogen 2.919 N/A TYR 132.A OH SER 63.A OG no hydrogen 3.187 N/A ILE 133.A N VAL 61.A O no hydrogen 2.725 N/A SER 134.A OG ASP 137.A OD2 no hydrogen 3.376 N/A PHE 136.A N SER 134.A OG no hydrogen 3.332 N/A ASP 137.A N SER 134.A OG no hydrogen 3.232 N/A LEU 140.A N ASP 138.A OD2 no hydrogen 2.961 N/A ILE 141.A N ASP 138.A O no hydrogen 2.754 N/A TRP 142.A N ASP 138.A O no hydrogen 3.350 N/A TRP 142.A NE1 PHE 136.A O no hydrogen 2.916 N/A GLU 143.A N PRO 139.A O no hydrogen 2.836 N/A GLY 144.A N LEU 140.A O no hydrogen 2.956 N/A HIS 145.A N ILE 141.A O no hydrogen 3.045 N/A HIS 145.A ND1 GLY 171.A O no hydrogen 3.303 N/A THR 146.A N TRP 142.A O no hydrogen 3.047 N/A THR 146.A N GLU 143.A O no hydrogen 3.201 N/A THR 146.A OG1 TRP 142.A O no hydrogen 3.261 N/A SER 147.A N GLY 144.A O no hydrogen 3.104 N/A SER 147.A OG GLY 144.A O no hydrogen 2.689 N/A LEU 148.A N HIS 145.A O no hydrogen 2.950 N/A VAL 149.A N THR 146.A O no hydrogen 3.022 N/A LYS 150.A N THR 146.A O no hydrogen 3.238 N/A GLU 151.A N SER 147.A O no hydrogen 2.993 N/A LEU 152.A N LEU 148.A O no hydrogen 3.242 N/A LYS 153.A N VAL 149.A O no hydrogen 2.915 N/A LYS 153.A NZ VAL 183.A O no hydrogen 3.210 N/A GLU 154.A N LYS 150.A O no hydrogen 3.119 N/A THR 155.A N GLU 151.A O no hydrogen 3.175 N/A THR 155.A N LEU 152.A O no hydrogen 3.227 N/A THR 155.A OG1 GLU 151.A O no hydrogen 2.926 N/A LEU 156.A N LEU 152.A O no hydrogen 2.803 N/A LYS 159.A NZ ASP 187.A OD1 no hydrogen 3.436 N/A GLY 161.A N SER 297.A O no hydrogen 2.996 N/A ILE 163.A N PRO 189.A O no hydrogen 3.151 N/A VAL 164.A N VAL 299.A O no hydrogen 2.843 N/A LEU 165.A N ILE 191.A O no hydrogen 3.130 N/A SER 166.A OG ALA 269.A O no hydrogen 2.903 N/A VAL 167.A N MET 193.A O no hydrogen 2.957 N/A CYS 174.A N GLY 170.A O no hydrogen 2.692 N/A CYS 174.A SG GLY 170.A O no hydrogen 3.268 N/A CYS 174.A SG THR 232.A OG1 no hydrogen 3.659 N/A GLY 175.A N GLY 171.A O no hydrogen 2.954 N/A VAL 176.A N LEU 172.A O no hydrogen 2.925 N/A VAL 176.A N LEU 173.A O no hydrogen 3.128 N/A VAL 177.A N LEU 173.A O no hydrogen 3.066 N/A GLN 178.A N CYS 174.A O no hydrogen 3.134 N/A GLY 179.A N GLY 175.A O no hydrogen 3.141 N/A LEU 180.A N VAL 176.A O no hydrogen 2.810 N/A ARG 181.A N VAL 177.A O no hydrogen 3.049 N/A ARG 181.A NH2 GLU 238.A OE1 no hydrogen 3.039 N/A GLU 182.A N GLN 178.A O no hydrogen 3.082 N/A GLY 184.A N ARG 181.A O no hydrogen 3.166 N/A TRP 185.A N LEU 180.A O no hydrogen 2.741 N/A VAL 188.A N TRP 185.A O no hydrogen 3.055 N/A ILE 190.A N PRO 240.A O no hydrogen 2.837 N/A ILE 191.A N ILE 163.A O no hydrogen 2.999 N/A ALA 192.A N PHE 242.A O no hydrogen 2.685 N/A MET 193.A N LEU 165.A O no hydrogen 2.722 N/A GLU 194.A N GLU 244.A O no hydrogen 3.202 N/A THR 195.A OG1 SER 218.A OG no hydrogen 2.679 N/A PHE 196.A N ILE 246.A O no hydrogen 2.824 N/A GLY 197.A N HIS 199.A ND1 no hydrogen 2.847 N/A ALA 198.A N THR 195.A O no hydrogen 3.154 N/A SER 200.A OG VAL 225.A O no hydrogen 2.647 N/A PHE 201.A N GLU 194.A OE2 no hydrogen 3.422 N/A HIS 202.A N GLU 194.A OE1 no hydrogen 2.447 N/A HIS 202.A ND1 SER 243.A OG no hydrogen 2.838 N/A ALA 203.A N HIS 199.A O no hydrogen 2.985 N/A ALA 204.A N SER 200.A O no hydrogen 3.209 N/A VAL 205.A N PHE 201.A O no hydrogen 3.094 N/A LYS 206.A N HIS 202.A O no hydrogen 2.997 N/A GLU 207.A N ALA 203.A O no hydrogen 3.027 N/A GLY 208.A N VAL 205.A O no hydrogen 3.358 N/A LEU 213.A N ASN 226.A O no hydrogen 2.666 N/A THR 217.A OG1 THR 217.A O no hydrogen 2.450 N/A SER 218.A OG THR 195.A OG1 no hydrogen 2.679 N/A SER 218.A OG ASP 248.A OD1 no hydrogen 3.288 N/A SER 218.A OG ASP 248.A OD2 no hydrogen 2.491 N/A VAL 219.A N ASP 248.A OD1 no hydrogen 2.856 N/A ALA 220.A N SER 218.A OG no hydrogen 3.135 N/A LYS 221.A N VAL 219.A O no hydrogen 2.804 N/A LYS 221.A NZ ILE 216.A O no hydrogen 3.232 N/A LYS 221.A NZ SER 218.A O no hydrogen 3.095 N/A LEU 223.A N ALA 220.A O no hydrogen 2.887 N/A GLY 224.A N LYS 221.A O no hydrogen 2.679 N/A VAL 225.A N LEU 223.A O no hydrogen 2.728 N/A ASN 226.A ND2 LEU 213.A O no hydrogen 2.803 N/A GLY 229.A N GLY 169.A O no hydrogen 3.053 N/A THR 232.A OG1 GLY 169.A O no hydrogen 2.771 N/A LEU 233.A N GLY 229.A O no hydrogen 3.284 N/A LYS 234.A N ALA 230.A O no hydrogen 2.782 N/A LEU 235.A N GLN 231.A O no hydrogen 2.897 N/A PHE 236.A N THR 232.A O no hydrogen 3.336 N/A PHE 236.A N LEU 233.A O no hydrogen 3.069 N/A TYR 237.A N LYS 234.A O no hydrogen 3.194 N/A GLU 238.A N LEU 235.A O no hydrogen 2.958 N/A HIS 239.A N LEU 235.A O no hydrogen 2.965 N/A HIS 239.A NE2 VAL 188.A O no hydrogen 2.791 N/A PHE 242.A N ILE 190.A O no hydrogen 2.645 N/A SER 243.A OG HIS 202.A ND1 no hydrogen 2.838 N/A GLU 244.A N ALA 192.A O no hydrogen 2.836 N/A ILE 246.A N GLU 194.A O no hydrogen 2.818 N/A SER 247.A N GLU 250.A OE1 no hydrogen 3.008 N/A SER 247.A OG GLU 250.A OE1 no hydrogen 2.819 N/A GLU 250.A N SER 247.A OG no hydrogen 3.268 N/A ALA 251.A N SER 247.A O no hydrogen 3.029 N/A VAL 252.A N ASP 248.A O no hydrogen 2.880 N/A THR 253.A N GLN 249.A O no hydrogen 2.669 N/A ALA 254.A N GLU 250.A O no hydrogen 3.086 N/A ILE 255.A N ALA 251.A O no hydrogen 3.179 N/A GLU 256.A N VAL 252.A O no hydrogen 3.158 N/A LYS 257.A N THR 253.A O no hydrogen 3.041 N/A PHE 258.A N ALA 254.A O no hydrogen 2.782 N/A VAL 259.A N ILE 255.A O no hydrogen 3.062 N/A ASP 261.A N LYS 257.A O no hydrogen 2.892 N/A GLU 262.A N PHE 258.A O no hydrogen 2.805 N/A LYS 263.A NZ ASP 260.A O no hydrogen 2.699 N/A GLU 267.A N GLY 304.A O no hydrogen 3.395 N/A CYS 270.A N GLU 267.A O no hydrogen 2.760 N/A GLY 271.A N GLU 267.A O no hydrogen 2.887 N/A ALA 272.A N PRO 268.A O no hydrogen 3.001 N/A ALA 273.A N CYS 270.A O no hydrogen 3.210 N/A LEU 274.A N CYS 270.A O no hydrogen 3.204 N/A ALA 275.A N GLY 271.A O no hydrogen 2.889 N/A ALA 276.A N ALA 273.A O no hydrogen 3.025 N/A VAL 277.A N LEU 274.A O no hydrogen 2.839 N/A TYR 278.A N LEU 274.A O no hydrogen 3.153 N/A TYR 278.A OH ASP 261.A OD1 no hydrogen 2.840 N/A SER 279.A N ALA 275.A O no hydrogen 2.700 N/A SER 279.A OG GLU 250.A OE2 no hydrogen 2.963 N/A GLY 280.A N VAL 277.A O no hydrogen 2.911 N/A VAL 282.A N ALA 276.A O no hydrogen 3.120 N/A CYS 283.A SG ALA 23.A O no hydrogen 3.280 N/A ARG 284.A N GLY 280.A O no hydrogen 3.199 N/A ARG 284.A NH1 GLU 244.A OE2 no hydrogen 3.232 N/A ARG 284.A NH2 GLU 288.A OE1 no hydrogen 3.180 N/A ARG 284.A NH2 GLU 288.A OE2 no hydrogen 3.504 N/A LEU 285.A N VAL 281.A O no hydrogen 2.998 N/A GLN 286.A N VAL 282.A O no hydrogen 2.892 N/A GLN 286.A NE2 GLN 292.A O no hydrogen 3.170 N/A ALA 287.A N CYS 283.A O no hydrogen 2.788 N/A GLU 288.A N ARG 284.A O no hydrogen 2.823 N/A ALA 289.A N GLN 286.A O no hydrogen 2.779 N/A ARG 290.A N LEU 285.A O no hydrogen 2.849 N/A LEU 291.A N LEU 285.A O no hydrogen 3.061 N/A LEU 298.A N SER 26.A O no hydrogen 2.842 N/A VAL 299.A N ALA 162.A O no hydrogen 2.872 N/A VAL 300.A N PHE 28.A O no hydrogen 2.788 N/A ILE 301.A N VAL 164.A O no hydrogen 2.933 N/A VAL 302.A N LYS 30.A O no hydrogen 3.078 N/A CYS 303.A SG SER 166.A OG no hydrogen 3.688 N/A GLY 305.A N GLY 38.A O no hydrogen 3.185 N/A SER 306.A N ASN 67.A OD1 no hydrogen 2.904 N/A ASN 307.A N GLU 267.A OE2 no hydrogen 3.100 N/A ASN 307.A ND2 ALA 65.A O no hydrogen 2.967 N/A ASN 307.A ND2 GLU 267.A OE1 no hydrogen 3.301 N/A ILE 308.A N SER 306.A O no hydrogen 2.757 N/A GLN 312.A N SER 309.A OG no hydrogen 2.976 N/A LEU 313.A N SER 309.A O no hydrogen 2.862 N/A GLN 314.A N LEU 310.A O no hydrogen 3.220 N/A ALA 315.A N ALA 311.A O no hydrogen 2.949 N/A LEU 316.A N GLN 312.A O no hydrogen 2.764 N/A LYS 317.A N LEU 313.A O no hydrogen 2.959 N/A LYS 317.A NZ GLU 256.A OE1 no hydrogen 2.739 N/A ALA 318.A N GLN 314.A O no hydrogen 2.873 N/A GLN 319.A N ALA 315.A O no hydrogen 2.983 N/A LEU 320.A N LEU 316.A O no hydrogen 3.032 N/A GLY 321.A N ALA 318.A O no hydrogen 3.221 N/A LEU 322.A N LYS 317.A O no hydrogen 2.788 N/A