Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pst_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N TRP 36.A O no hydrogen 2.834 N/A SER 3.A OG GLY 35.A O no hydrogen 3.504 N/A ASP 12.A N GLN 41.A OE1 no hydrogen 2.848 N/A THR 16.A OG1 ALA 22.A O no hydrogen 2.962 N/A ASN 20.A N GLU 17.A O no hydrogen 3.041 N/A ASN 23.A N LEU 21.A O no hydrogen 2.670 N/A ASN 23.A ND2 ASN 20.A OD1 no hydrogen 3.625 N/A VAL 27.A N SER 25.A O no hydrogen 2.714 N/A PHE 30.A N ALA 40.A O no hydrogen 2.910 N/A SER 31.A OG THR 32.A OG1 no hydrogen 3.373 N/A THR 32.A OG1 SER 31.A OG no hydrogen 3.373 N/A GLY 35.A N PHE 30.A O no hydrogen 3.184 N/A GLY 35.A N SER 31.A O no hydrogen 2.852 N/A TRP 36.A N LEU 33.A O no hydrogen 2.952 N/A PHE 37.A N LEU 34.A O no hydrogen 3.335 N/A GLY 38.A N LEU 34.A O no hydrogen 2.814 N/A GLN 41.A NE2 ASP 12.A O no hydrogen 2.965 N/A GLN 41.A NE2 GLY 43.A O no hydrogen 2.834 N/A ILE 45.A N ARG 24.A O no hydrogen 3.027 N/A TYR 46.A OH ASP 18.A O no hydrogen 2.783 N/A GLY 48.A N TYR 46.A O no hydrogen 2.697 N/A GLY 51.A N GLY 48.A O no hydrogen 2.941 N/A LEU 53.A N SER 49.A O no hydrogen 2.676 N/A SER 54.A N LEU 50.A O no hydrogen 2.744 N/A SER 54.A OG LEU 50.A O no hydrogen 3.067 N/A SER 54.A OG ALA 120.A O no hydrogen 3.518 N/A SER 54.A OG SER 123.A OG no hydrogen 2.962 N/A LEU 55.A N GLY 51.A O no hydrogen 3.153 N/A PHE 56.A N VAL 52.A O no hydrogen 2.757 N/A SER 57.A N LEU 53.A O no hydrogen 2.970 N/A SER 57.A OG LEU 53.A O no hydrogen 3.010 N/A GLY 58.A N SER 54.A O no hydrogen 2.627 N/A LEU 59.A N LEU 55.A O no hydrogen 2.854 N/A MET 60.A N PHE 56.A O no hydrogen 2.865 N/A TRP 61.A N SER 57.A O no hydrogen 2.852 N/A PHE 62.A N GLY 58.A O no hydrogen 3.008 N/A PHE 63.A N LEU 59.A O no hydrogen 2.760 N/A THR 64.A N MET 60.A O no hydrogen 2.852 N/A THR 64.A OG1 MET 60.A O no hydrogen 2.917 N/A ILE 65.A N TRP 61.A O no hydrogen 3.094 N/A GLY 66.A N PHE 62.A O no hydrogen 3.248 N/A ILE 67.A N PHE 63.A O no hydrogen 2.917 N/A TRP 68.A N THR 64.A O no hydrogen 3.236 N/A PHE 69.A N ILE 65.A O no hydrogen 2.928 N/A TRP 70.A N GLY 66.A O no hydrogen 2.985 N/A TYR 71.A N ILE 67.A O no hydrogen 2.966 N/A GLN 72.A N TRP 68.A O no hydrogen 2.832 N/A GLN 72.A NE2 TRP 68.A O no hydrogen 3.257 N/A GLN 72.A NE2 SER 88.A O no hydrogen 2.772 N/A ALA 73.A N PHE 69.A O no hydrogen 2.982 N/A GLY 74.A N TYR 71.A O no hydrogen 3.025 N/A TRP 75.A N ALA 73.A O no hydrogen 2.836 N/A ASN 76.A ND2 TRP 75.A O no hydrogen 3.169 N/A PHE 80.A N PRO 77.A O no hydrogen 2.996 N/A ARG 82.A N ALA 78.A O no hydrogen 2.892 N/A ARG 82.A NE ASP 83.A OD1 no hydrogen 3.239 N/A ARG 82.A NE ASP 83.A OD2 no hydrogen 3.125 N/A ARG 82.A NH2 ASP 83.A OD2 no hydrogen 2.939 N/A ASP 83.A N VAL 79.A O no hydrogen 2.862 N/A PHE 86.A N ASP 83.A O no hydrogen 2.931 N/A SER 88.A N GLN 72.A OE1 no hydrogen 2.880 N/A SER 88.A OG SER 176.A OG no hydrogen 2.769 N/A TYR 96.A N PRO 94.A O no hydrogen 2.725 N/A SER 99.A OG TYR 96.A O no hydrogen 2.783 N/A ALA 101.A N SER 99.A O no hydrogen 2.662 N/A GLU 106.A N LEU 104.A O no hydrogen 3.018 N/A GLY 107.A N LEU 104.A O no hydrogen 3.407 N/A GLY 108.A N PRO 103.A O no hydrogen 2.874 N/A LEU 109.A N LEU 104.A O no hydrogen 3.101 N/A TRP 110.A NE1 VAL 170.A O no hydrogen 3.142 N/A LEU 111.A N GLY 107.A O no hydrogen 3.067 N/A ILE 112.A N GLY 108.A O no hydrogen 2.929 N/A ALA 113.A N LEU 109.A O no hydrogen 2.944 N/A SER 114.A N TRP 110.A O no hydrogen 2.775 N/A SER 114.A OG TRP 110.A O no hydrogen 2.818 N/A SER 114.A OG TYR 172.A OH no hydrogen 2.716 N/A PHE 115.A N LEU 111.A O no hydrogen 2.948 N/A PHE 116.A N ILE 112.A O no hydrogen 3.403 N/A MET 117.A N ALA 113.A O no hydrogen 3.029 N/A PHE 118.A N SER 114.A O no hydrogen 2.761 N/A VAL 119.A N PHE 115.A O no hydrogen 3.002 N/A ALA 120.A N PHE 116.A O no hydrogen 2.839 N/A VAL 121.A N MET 117.A O no hydrogen 3.320 N/A TRP 122.A N PHE 118.A O no hydrogen 3.099 N/A SER 123.A N VAL 119.A O no hydrogen 2.935 N/A SER 123.A OG SER 54.A OG no hydrogen 2.962 N/A SER 123.A OG VAL 119.A O no hydrogen 2.851 N/A SER 123.A OG ALA 120.A O no hydrogen 2.892 N/A TRP 124.A N ALA 120.A O no hydrogen 3.070 N/A TRP 125.A N VAL 121.A O no hydrogen 2.951 N/A GLY 126.A N TRP 122.A O no hydrogen 3.053 N/A ARG 127.A N SER 123.A O no hydrogen 2.878 N/A THR 128.A N TRP 124.A O no hydrogen 3.194 N/A THR 128.A OG1 TRP 124.A O no hydrogen 2.923 N/A TYR 129.A N TRP 125.A O no hydrogen 3.092 N/A TYR 129.A N GLY 126.A O no hydrogen 3.070 N/A LEU 130.A N GLY 126.A O no hydrogen 3.047 N/A ARG 131.A N ARG 127.A O no hydrogen 2.837 N/A ALA 132.A N TYR 129.A O no hydrogen 3.159 N/A GLN 133.A N TYR 129.A O no hydrogen 2.950 N/A ALA 134.A N LEU 130.A O no hydrogen 3.037 N/A LEU 135.A N ALA 132.A O no hydrogen 3.211 N/A GLY 136.A N GLN 133.A O no hydrogen 2.770 N/A MET 137.A N ALA 132.A O no hydrogen 2.884 N/A TRP 143.A N HIS 140.A O no hydrogen 3.092 N/A ALA 144.A N HIS 140.A O no hydrogen 3.105 N/A PHE 145.A N THR 141.A O no hydrogen 2.964 N/A LEU 146.A N TRP 143.A O no hydrogen 2.806 N/A SER 147.A N ALA 144.A O no hydrogen 2.993 N/A SER 147.A OG ALA 144.A O no hydrogen 3.125 N/A SER 147.A OG VAL 269.A O no hydrogen 3.353 N/A SER 147.A OG THR 272.A OG1 no hydrogen 3.006 N/A ILE 149.A N PHE 145.A O no hydrogen 2.909 N/A TRP 150.A N LEU 146.A O no hydrogen 2.756 N/A TRP 150.A NE1 LEU 273.A O no hydrogen 2.906 N/A LEU 151.A N SER 147.A O no hydrogen 3.056 N/A TRP 152.A N ALA 148.A O no hydrogen 3.059 N/A MET 153.A N ILE 149.A O no hydrogen 2.805 N/A VAL 154.A N TRP 150.A O no hydrogen 2.841 N/A LEU 155.A N LEU 151.A O no hydrogen 2.953 N/A GLY 156.A N TRP 152.A O no hydrogen 3.102 N/A PHE 157.A N MET 153.A O no hydrogen 2.951 N/A ILE 158.A N MET 153.A O no hydrogen 2.882 N/A ARG 159.A N VAL 154.A O no hydrogen 3.112 N/A ARG 159.A NE SER 282.A O no hydrogen 3.235 N/A ARG 159.A NH1 GLU 168.A OE1 no hydrogen 2.905 N/A ARG 159.A NH2 GLU 168.A OE1 no hydrogen 3.125 N/A ARG 159.A NH2 SER 282.A O no hydrogen 3.008 N/A ILE 161.A N PHE 157.A O no hydrogen 3.065 N/A LEU 162.A N ILE 158.A O no hydrogen 2.752 N/A MET 163.A N ARG 159.A O no hydrogen 2.814 N/A GLY 164.A N ILE 161.A O no hydrogen 2.929 N/A SER 165.A N PRO 160.A O no hydrogen 2.891 N/A SER 165.A OG GLY 164.A O no hydrogen 2.804 N/A TRP 166.A N GLY 97.A O no hydrogen 3.104 N/A GLU 168.A N SER 165.A O no hydrogen 3.289 N/A ALA 169.A N TRP 166.A O no hydrogen 3.153 N/A TYR 172.A N LEU 89.A O no hydrogen 2.828 N/A TYR 172.A OH SER 114.A OG no hydrogen 2.716 N/A PHE 175.A N PHE 85.A O no hydrogen 3.102 N/A SER 176.A OG SER 88.A OG no hydrogen 2.769 N/A HIS 177.A N GLY 173.A O no hydrogen 3.333 N/A HIS 177.A ND1 ILE 174.A O no hydrogen 2.904 N/A ASP 179.A N PHE 175.A O no hydrogen 3.130 N/A ASP 179.A N SER 176.A O no hydrogen 3.152 N/A TRP 180.A N SER 176.A O no hydrogen 2.844 N/A THR 181.A N HIS 177.A O no hydrogen 3.106 N/A THR 181.A OG1 HIS 177.A O no hydrogen 2.949 N/A ASN 183.A N ASP 179.A O no hydrogen 2.897 N/A PHE 184.A N TRP 180.A O no hydrogen 2.872 N/A SER 185.A N ASN 182.A O no hydrogen 2.923 N/A LEU 186.A N ASN 182.A O no hydrogen 3.160 N/A VAL 187.A N ASN 183.A O no hydrogen 2.874 N/A HIS 188.A N SER 185.A O no hydrogen 2.932 N/A HIS 188.A ND1 PHE 184.A O no hydrogen 2.762 N/A ASN 190.A N SER 185.A O no hydrogen 3.248 N/A TYR 193.A N ASN 190.A O no hydrogen 3.221 N/A ASN 194.A N LEU 191.A O no hydrogen 2.882 N/A ASN 194.A ND2 GLY 278.A O no hydrogen 3.193 N/A PHE 196.A N ASN 194.A OD1 no hydrogen 3.009 N/A LEU 197.A N ASN 194.A OD1 no hydrogen 3.464 N/A GLY 198.A N ASN 194.A O no hydrogen 3.296 N/A LEU 199.A N PRO 195.A O no hydrogen 3.226 N/A SER 200.A N PHE 196.A O no hydrogen 2.893 N/A SER 200.A OG VAL 271.A O no hydrogen 2.968 N/A ILE 201.A N LEU 197.A O no hydrogen 2.881 N/A ALA 202.A N GLY 198.A O no hydrogen 3.057 N/A PHE 203.A N LEU 199.A O no hydrogen 2.850 N/A LEU 204.A N SER 200.A O no hydrogen 2.775 N/A TYR 205.A N ILE 201.A O no hydrogen 2.958 N/A GLY 206.A N ALA 202.A O no hydrogen 2.930 N/A SER 207.A N PHE 203.A O no hydrogen 2.710 N/A SER 207.A OG PHE 203.A O no hydrogen 2.836 N/A SER 207.A OG MET 267.A O no hydrogen 2.756 N/A ALA 208.A N LEU 204.A O no hydrogen 3.476 N/A LEU 209.A N TYR 205.A O no hydrogen 2.873 N/A LEU 209.A N GLY 206.A O no hydrogen 3.099 N/A LEU 210.A N GLY 206.A O no hydrogen 2.753 N/A PHE 211.A N SER 207.A O no hydrogen 2.843 N/A MET 213.A N LEU 209.A O no hydrogen 2.911 N/A HIS 214.A N LEU 210.A O no hydrogen 2.808 N/A GLY 215.A N PHE 211.A O no hydrogen 2.823 N/A ALA 216.A N ALA 212.A O no hydrogen 3.018 N/A THR 217.A N MET 213.A O no hydrogen 2.867 N/A THR 217.A OG1 MET 213.A O no hydrogen 2.952 N/A THR 217.A OG1 HIS 214.A O no hydrogen 3.499 N/A ILE 218.A N HIS 214.A O no hydrogen 2.916 N/A LEU 219.A N GLY 215.A O no hydrogen 3.055 N/A ALA 220.A N ALA 216.A O no hydrogen 3.008 N/A ALA 220.A N THR 217.A O no hydrogen 2.872 N/A VAL 221.A N THR 217.A O no hydrogen 2.856 N/A VAL 221.A N ILE 218.A O no hydrogen 2.812 N/A SER 222.A OG GLU 227.A OE1 no hydrogen 3.091 N/A PHE 224.A N VAL 221.A O no hydrogen 3.323 N/A GLY 225.A N SER 222.A O no hydrogen 2.816 N/A GLY 226.A N VAL 221.A O no hydrogen 2.899 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.958 N/A ARG 228.A N GLY 225.A O no hydrogen 3.119 N/A GLU 231.A N ARG 228.A O no hydrogen 2.927 N/A GLN 232.A N ARG 228.A O no hydrogen 3.152 N/A GLN 232.A NE2 PHE 224.A O no hydrogen 3.691 N/A ILE 233.A N GLU 229.A O no hydrogen 2.957 N/A ALA 234.A N GLU 231.A O no hydrogen 2.631 N/A ASP 235.A N GLU 231.A O no hydrogen 2.851 N/A ARG 236.A NH1 GLU 241.A OE2 no hydrogen 2.759 N/A ARG 236.A NH2 GLU 241.A OE2 no hydrogen 3.101 N/A GLY 237.A N GLN 232.A OE1 no hydrogen 2.881 N/A ALA 240.A N GLY 237.A O no hydrogen 2.960 N/A GLU 241.A N GLY 237.A O no hydrogen 3.127 N/A ARG 242.A N THR 238.A O no hydrogen 2.848 N/A ALA 243.A N ALA 240.A O no hydrogen 3.224 N/A ALA 244.A N ALA 240.A O no hydrogen 3.324 N/A LEU 245.A N GLU 241.A O no hydrogen 3.414 N/A PHE 246.A N ALA 243.A O no hydrogen 3.307 N/A ARG 248.A N ALA 244.A O no hydrogen 3.089 N/A TRP 249.A N LEU 245.A O no hydrogen 3.061 N/A THR 250.A N TRP 247.A O no hydrogen 3.062 N/A THR 250.A OG1 PHE 246.A O no hydrogen 2.911 N/A THR 250.A OG1 TRP 247.A O no hydrogen 3.015 N/A MET 251.A N TRP 247.A O no hydrogen 2.826 N/A GLY 252.A N TRP 247.A O no hydrogen 3.233 N/A GLY 252.A N ARG 248.A O no hydrogen 3.152 N/A GLY 259.A N THR 256.A OG1 no hydrogen 2.869 N/A ILE 260.A N THR 256.A O no hydrogen 2.904 N/A HIS 261.A N GLU 258.A O no hydrogen 2.757 N/A HIS 261.A ND1 MET 257.A O no hydrogen 2.868 N/A ARG 262.A N GLU 258.A O no hydrogen 3.410 N/A TRP 263.A N GLY 259.A O no hydrogen 2.895 N/A ALA 264.A N ILE 260.A O no hydrogen 2.860 N/A ILE 265.A N HIS 261.A O no hydrogen 2.983 N/A MET 267.A N TRP 263.A O no hydrogen 2.801 N/A ALA 268.A N ILE 265.A O no hydrogen 3.024 N/A VAL 269.A N ILE 265.A O no hydrogen 2.858 N/A LEU 270.A N TRP 266.A O no hydrogen 2.995 N/A VAL 271.A N ALA 268.A O no hydrogen 2.986 N/A THR 272.A OG1 SER 147.A OG no hydrogen 3.006 N/A LEU 273.A N VAL 269.A O no hydrogen 3.070 N/A THR 274.A N LEU 270.A O no hydrogen 3.339 N/A THR 274.A OG1 LEU 270.A O no hydrogen 3.066 N/A GLY 276.A N THR 272.A O no hydrogen 2.882 N/A ILE 277.A N LEU 273.A O no hydrogen 3.071 N/A GLY 278.A N THR 274.A O no hydrogen 2.823 N/A ILE 279.A N GLY 275.A O no hydrogen 2.981 N/A LEU 280.A N GLY 276.A O no hydrogen 3.001 N/A LEU 281.A N ILE 277.A O no hydrogen 3.248 N/A SER 282.A N GLY 278.A O no hydrogen 3.229 N/A SER 282.A OG GLY 278.A O no hydrogen 2.960 N/A VAL 285.A N LEU 281.A O no hydrogen 2.811 N/A VAL 286.A N LEU 281.A O no hydrogen 3.253 N/A TRP 289.A N HIS 188.A O no hydrogen 2.979 N/A TRP 289.A NE1 SER 282.A OG no hydrogen 2.847 N/A TYR 290.A N GLY 189.A O no hydrogen 3.230 N/A VAL 291.A N ASN 288.A OD1 no hydrogen 2.934 N/A TRP 292.A N ASN 288.A O no hydrogen 3.376 N/A GLY 293.A N TRP 289.A O no hydrogen 2.913 N/A GLN 294.A N TYR 290.A O no hydrogen 3.111 N/A ASN 295.A N VAL 291.A O no hydrogen 2.876 N/A HIS 296.A N GLN 294.A O no hydrogen 2.933 N/A