Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pss_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N TRP 36.A O no hydrogen 2.737 N/A SER 3.A OG GLY 35.A O no hydrogen 3.157 N/A SER 3.A OG TRP 36.A O no hydrogen 3.559 N/A GLN 6.A NE2 SER 31.A O no hydrogen 3.215 N/A ARG 8.A NE SER 31.A OG no hydrogen 2.918 N/A ASP 12.A N GLN 41.A OE1 no hydrogen 2.765 N/A THR 16.A OG1 MET 15.A O no hydrogen 2.681 N/A ASP 18.A N THR 16.A O no hydrogen 2.741 N/A ASN 23.A N LEU 21.A O no hydrogen 2.674 N/A PHE 30.A N ALA 40.A O no hydrogen 2.926 N/A LEU 33.A N PHE 30.A O no hydrogen 3.092 N/A GLY 35.A N PHE 30.A O no hydrogen 3.455 N/A TRP 36.A N LEU 33.A O no hydrogen 2.900 N/A PHE 37.A N LEU 34.A O no hydrogen 2.886 N/A GLY 38.A N LEU 34.A O no hydrogen 2.795 N/A GLN 41.A NE2 ASP 12.A O no hydrogen 2.791 N/A GLN 41.A NE2 GLY 43.A O no hydrogen 2.774 N/A ILE 45.A N ARG 24.A O no hydrogen 2.985 N/A VAL 52.A N GLY 48.A O no hydrogen 2.931 N/A LEU 53.A N SER 49.A O no hydrogen 2.820 N/A SER 54.A N LEU 50.A O no hydrogen 2.835 N/A SER 54.A OG LEU 50.A O no hydrogen 3.295 N/A SER 54.A OG ALA 120.A O no hydrogen 3.040 N/A LEU 55.A N GLY 51.A O no hydrogen 2.825 N/A PHE 56.A N VAL 52.A O no hydrogen 2.806 N/A SER 57.A N LEU 53.A O no hydrogen 3.007 N/A SER 57.A OG LEU 53.A O no hydrogen 2.757 N/A GLY 58.A N SER 54.A O no hydrogen 2.684 N/A LEU 59.A N LEU 55.A O no hydrogen 2.931 N/A MET 60.A N PHE 56.A O no hydrogen 2.784 N/A TRP 61.A N SER 57.A O no hydrogen 2.826 N/A PHE 62.A N GLY 58.A O no hydrogen 3.057 N/A PHE 63.A N LEU 59.A O no hydrogen 2.839 N/A THR 64.A N MET 60.A O no hydrogen 2.806 N/A THR 64.A OG1 MET 60.A O no hydrogen 2.771 N/A ILE 65.A N TRP 61.A O no hydrogen 3.113 N/A GLY 66.A N PHE 62.A O no hydrogen 2.889 N/A ILE 67.A N PHE 63.A O no hydrogen 2.749 N/A TRP 68.A N THR 64.A O no hydrogen 2.991 N/A PHE 69.A N ILE 65.A O no hydrogen 2.709 N/A TRP 70.A N GLY 66.A O no hydrogen 3.007 N/A TYR 71.A N ILE 67.A O no hydrogen 3.286 N/A GLN 72.A N PHE 69.A O no hydrogen 3.012 N/A GLN 72.A NE2 TRP 68.A O no hydrogen 2.961 N/A GLN 72.A NE2 SER 88.A O no hydrogen 2.895 N/A ALA 73.A N TRP 70.A O no hydrogen 2.888 N/A GLY 74.A N TYR 71.A O no hydrogen 2.988 N/A TRP 75.A N ALA 73.A O no hydrogen 2.817 N/A ASN 76.A N ALA 73.A O no hydrogen 3.192 N/A VAL 79.A N ASN 76.A OD1 no hydrogen 2.838 N/A PHE 80.A N ASN 76.A O no hydrogen 2.875 N/A LEU 81.A N PRO 77.A O no hydrogen 2.932 N/A ARG 82.A N VAL 79.A O no hydrogen 2.741 N/A ASP 83.A N VAL 79.A O no hydrogen 3.211 N/A PHE 86.A N ASP 83.A O no hydrogen 3.148 N/A PHE 87.A N ASP 83.A O no hydrogen 3.102 N/A SER 88.A N GLN 72.A OE1 no hydrogen 3.519 N/A SER 88.A OG GLU 90.A OE1 no hydrogen 3.273 N/A SER 88.A OG GLU 90.A OE2 no hydrogen 2.761 N/A SER 88.A OG TYR 172.A O no hydrogen 3.072 N/A SER 88.A OG SER 176.A OG no hydrogen 2.686 N/A GLY 97.A N GLU 95.A O no hydrogen 3.224 N/A SER 99.A OG TYR 96.A O no hydrogen 3.280 N/A PHE 100.A N LEU 98.A O no hydrogen 2.771 N/A GLY 107.A N PRO 91.A O no hydrogen 2.985 N/A GLY 108.A N ALA 102.A O no hydrogen 3.174 N/A TRP 110.A N GLY 107.A O no hydrogen 2.828 N/A LEU 111.A N GLY 107.A O no hydrogen 3.076 N/A ILE 112.A N GLY 108.A O no hydrogen 2.841 N/A ALA 113.A N LEU 109.A O no hydrogen 3.207 N/A SER 114.A N TRP 110.A O no hydrogen 2.659 N/A SER 114.A OG TRP 110.A O no hydrogen 2.727 N/A SER 114.A OG TYR 172.A OH no hydrogen 2.707 N/A PHE 115.A N LEU 111.A O no hydrogen 2.835 N/A PHE 115.A N ILE 112.A O no hydrogen 3.087 N/A PHE 116.A N ILE 112.A O no hydrogen 3.362 N/A MET 117.A N ALA 113.A O no hydrogen 3.139 N/A PHE 118.A N SER 114.A O no hydrogen 3.009 N/A VAL 119.A N PHE 115.A O no hydrogen 3.341 N/A ALA 120.A N PHE 116.A O no hydrogen 2.915 N/A VAL 121.A N MET 117.A O no hydrogen 3.354 N/A TRP 122.A N PHE 118.A O no hydrogen 2.931 N/A SER 123.A N VAL 119.A O no hydrogen 2.988 N/A SER 123.A OG VAL 119.A O no hydrogen 2.756 N/A TRP 124.A N ALA 120.A O no hydrogen 3.125 N/A TRP 125.A N VAL 121.A O no hydrogen 3.054 N/A GLY 126.A N TRP 122.A O no hydrogen 3.230 N/A ARG 127.A N SER 123.A O no hydrogen 2.850 N/A ARG 127.A NH1 TYR 46.A O no hydrogen 2.872 N/A ARG 127.A NH2 TYR 46.A O no hydrogen 3.372 N/A THR 128.A N TRP 124.A O no hydrogen 2.894 N/A THR 128.A OG1 TRP 124.A O no hydrogen 2.981 N/A TYR 129.A N TRP 125.A O no hydrogen 3.096 N/A LEU 130.A N GLY 126.A O no hydrogen 2.986 N/A ARG 131.A N ARG 127.A O no hydrogen 2.948 N/A ALA 132.A N THR 128.A O no hydrogen 3.270 N/A GLN 133.A N TYR 129.A O no hydrogen 2.940 N/A ALA 134.A N LEU 130.A O no hydrogen 2.881 N/A GLY 136.A N GLN 133.A O no hydrogen 2.941 N/A MET 137.A N ALA 132.A O no hydrogen 2.813 N/A GLY 138.A N ALA 132.A O no hydrogen 3.034 N/A TRP 143.A N LYS 139.A O no hydrogen 2.765 N/A ALA 144.A N HIS 140.A O no hydrogen 3.127 N/A PHE 145.A N THR 141.A O no hydrogen 2.814 N/A PHE 145.A N ALA 142.A O no hydrogen 3.216 N/A LEU 146.A N ALA 142.A O no hydrogen 3.296 N/A LEU 146.A N TRP 143.A O no hydrogen 3.118 N/A SER 147.A OG ALA 144.A O no hydrogen 2.807 N/A SER 147.A OG THR 272.A OG1 no hydrogen 3.254 N/A ILE 149.A N PHE 145.A O no hydrogen 2.914 N/A TRP 150.A N LEU 146.A O no hydrogen 2.730 N/A TRP 150.A NE1 LEU 273.A O no hydrogen 2.842 N/A LEU 151.A N SER 147.A O no hydrogen 3.012 N/A TRP 152.A N ALA 148.A O no hydrogen 3.053 N/A MET 153.A N ILE 149.A O no hydrogen 2.698 N/A VAL 154.A N TRP 150.A O no hydrogen 2.836 N/A LEU 155.A N LEU 151.A O no hydrogen 3.121 N/A PHE 157.A N MET 153.A O no hydrogen 2.955 N/A ILE 158.A N MET 153.A O no hydrogen 2.749 N/A ARG 159.A N VAL 154.A O no hydrogen 2.962 N/A ARG 159.A NE ILE 279.A O no hydrogen 3.434 N/A ARG 159.A NE SER 282.A O no hydrogen 2.993 N/A ARG 159.A NH1 GLU 168.A OE2 no hydrogen 3.513 N/A ARG 159.A NH2 SER 282.A O no hydrogen 2.919 N/A ILE 161.A N PHE 157.A O no hydrogen 3.072 N/A LEU 162.A N ILE 158.A O no hydrogen 3.043 N/A MET 163.A N ARG 159.A O no hydrogen 2.874 N/A GLY 164.A N ILE 161.A O no hydrogen 3.145 N/A SER 165.A N PRO 160.A O no hydrogen 2.962 N/A SER 165.A OG GLU 95.A O no hydrogen 3.137 N/A TRP 166.A N GLY 97.A O no hydrogen 2.837 N/A SER 167.A OG PRO 94.A O no hydrogen 3.450 N/A SER 167.A OG GLU 95.A O no hydrogen 2.874 N/A SER 167.A OG SER 165.A OG no hydrogen 2.979 N/A GLU 168.A N SER 165.A O no hydrogen 3.137 N/A ALA 169.A N TRP 166.A O no hydrogen 2.980 N/A TYR 172.A OH SER 114.A OG no hydrogen 2.707 N/A PHE 175.A N PHE 85.A O no hydrogen 3.184 N/A SER 176.A OG SER 88.A OG no hydrogen 2.686 N/A HIS 177.A N GLY 173.A O no hydrogen 3.231 N/A HIS 177.A ND1 ILE 174.A O no hydrogen 2.954 N/A ASP 179.A N PHE 175.A O no hydrogen 2.971 N/A TRP 180.A N SER 176.A O no hydrogen 2.814 N/A THR 181.A N HIS 177.A O no hydrogen 3.433 N/A THR 181.A OG1 HIS 177.A O no hydrogen 2.892 N/A ASN 182.A N LEU 178.A O no hydrogen 3.351 N/A ASN 183.A N ASP 179.A O no hydrogen 2.936 N/A PHE 184.A N TRP 180.A O no hydrogen 2.848 N/A LEU 186.A N ASN 182.A O no hydrogen 3.361 N/A VAL 187.A N ASN 183.A O no hydrogen 3.022 N/A HIS 188.A N SER 185.A O no hydrogen 2.909 N/A GLY 189.A N LEU 186.A O no hydrogen 3.031 N/A ASN 190.A N SER 185.A O no hydrogen 3.169 N/A PHE 192.A N ASN 190.A OD1 no hydrogen 3.109 N/A TYR 193.A N ASN 190.A O no hydrogen 3.119 N/A ASN 194.A N LEU 191.A O no hydrogen 3.365 N/A ASN 194.A ND2 GLY 278.A O no hydrogen 3.379 N/A PHE 196.A N ASN 194.A OD1 no hydrogen 2.781 N/A HIS 197.A N ASN 194.A OD1 no hydrogen 3.036 N/A GLY 198.A N ASN 194.A O no hydrogen 3.289 N/A LEU 199.A N PRO 195.A O no hydrogen 3.247 N/A LEU 199.A N PHE 196.A O no hydrogen 2.894 N/A SER 200.A N PHE 196.A O no hydrogen 2.800 N/A SER 200.A OG VAL 271.A O no hydrogen 3.232 N/A ILE 201.A N HIS 197.A O no hydrogen 2.931 N/A ALA 202.A N GLY 198.A O no hydrogen 3.081 N/A PHE 203.A N LEU 199.A O no hydrogen 2.938 N/A LEU 204.A N SER 200.A O no hydrogen 2.797 N/A TYR 205.A N ILE 201.A O no hydrogen 2.936 N/A GLY 206.A N ALA 202.A O no hydrogen 2.804 N/A SER 207.A N PHE 203.A O no hydrogen 2.703 N/A SER 207.A N LEU 204.A O no hydrogen 3.149 N/A SER 207.A OG PHE 203.A O no hydrogen 2.931 N/A ALA 208.A N LEU 204.A O no hydrogen 3.260 N/A LEU 209.A N TYR 205.A O no hydrogen 2.972 N/A LEU 210.A N GLY 206.A O no hydrogen 2.824 N/A PHE 211.A N SER 207.A O no hydrogen 2.958 N/A ALA 212.A N ALA 208.A O no hydrogen 3.427 N/A MET 213.A N LEU 209.A O no hydrogen 2.997 N/A MET 213.A N LEU 210.A O no hydrogen 3.135 N/A HIS 214.A N LEU 210.A O no hydrogen 2.734 N/A HIS 214.A NE2 HIS 261.A NE2 no hydrogen 2.677 N/A GLY 215.A N PHE 211.A O no hydrogen 2.895 N/A THR 217.A N MET 213.A O no hydrogen 2.882 N/A THR 217.A OG1 MET 213.A O no hydrogen 3.199 N/A ILE 218.A N HIS 214.A O no hydrogen 3.004 N/A LEU 219.A N GLY 215.A O no hydrogen 2.979 N/A ALA 220.A N THR 217.A O no hydrogen 2.979 N/A VAL 221.A N THR 217.A O no hydrogen 2.985 N/A VAL 221.A N ILE 218.A O no hydrogen 2.776 N/A PHE 224.A N VAL 221.A O no hydrogen 3.159 N/A GLY 225.A N SER 222.A O no hydrogen 2.636 N/A GLY 226.A N VAL 221.A O no hydrogen 2.976 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.836 N/A ARG 228.A N GLY 225.A O no hydrogen 3.145 N/A GLU 229.A N GLY 226.A O no hydrogen 3.042 N/A GLU 231.A N ARG 228.A O no hydrogen 3.468 N/A ILE 233.A N GLU 229.A O no hydrogen 2.870 N/A ALA 234.A N LEU 230.A O no hydrogen 2.898 N/A ASP 235.A N GLN 232.A O no hydrogen 3.120 N/A ARG 236.A NH1 GLU 241.A OE1 no hydrogen 2.644 N/A GLY 237.A N GLN 232.A OE1 no hydrogen 2.883 N/A ALA 240.A N GLY 237.A O no hydrogen 3.143 N/A GLU 241.A N GLY 237.A O no hydrogen 3.107 N/A ARG 242.A NE THR 238.A OG1 no hydrogen 2.738 N/A ALA 243.A N ALA 239.A O no hydrogen 3.058 N/A LEU 245.A N GLU 241.A O no hydrogen 3.384 N/A PHE 246.A N ARG 242.A O no hydrogen 3.046 N/A TRP 247.A N ALA 243.A O no hydrogen 3.246 N/A TRP 247.A NE1 THR 217.A OG1 no hydrogen 3.063 N/A ARG 248.A N ALA 244.A O no hydrogen 2.921 N/A ARG 248.A NE ASN 254.A OD1 no hydrogen 3.326 N/A TRP 249.A N LEU 245.A O no hydrogen 2.918 N/A THR 250.A N TRP 247.A O no hydrogen 3.147 N/A THR 250.A OG1 PHE 246.A O no hydrogen 2.872 N/A MET 251.A N TRP 247.A O no hydrogen 2.886 N/A GLY 252.A N ARG 248.A O no hydrogen 2.757 N/A ILE 260.A N THR 256.A O no hydrogen 2.894 N/A HIS 261.A N GLU 258.A O no hydrogen 2.985 N/A HIS 261.A ND1 MET 257.A O no hydrogen 2.777 N/A ARG 262.A N GLU 258.A O no hydrogen 3.349 N/A TRP 263.A N GLY 259.A O no hydrogen 2.840 N/A ALA 264.A N ILE 260.A O no hydrogen 2.836 N/A ILE 265.A N HIS 261.A O no hydrogen 2.991 N/A MET 267.A N TRP 263.A O no hydrogen 2.861 N/A ALA 268.A N ALA 264.A O no hydrogen 3.085 N/A VAL 269.A N ILE 265.A O no hydrogen 2.908 N/A LEU 270.A N TRP 266.A O no hydrogen 3.102 N/A VAL 271.A N ALA 268.A O no hydrogen 3.082 N/A THR 272.A OG1 SER 147.A OG no hydrogen 3.254 N/A THR 272.A OG1 VAL 269.A O no hydrogen 3.354 N/A LEU 273.A N VAL 269.A O no hydrogen 3.018 N/A THR 274.A OG1 LEU 270.A O no hydrogen 2.645 N/A GLY 275.A N VAL 271.A O no hydrogen 3.299 N/A GLY 276.A N THR 272.A O no hydrogen 2.948 N/A ILE 277.A N LEU 273.A O no hydrogen 3.395 N/A GLY 278.A N THR 274.A O no hydrogen 2.938 N/A ILE 279.A N GLY 275.A O no hydrogen 2.930 N/A LEU 280.A N GLY 276.A O no hydrogen 2.875 N/A LEU 281.A N ILE 277.A O no hydrogen 3.051 N/A SER 282.A N GLY 278.A O no hydrogen 3.314 N/A SER 282.A OG GLY 278.A O no hydrogen 2.858 N/A GLY 283.A N VAL 286.A O no hydrogen 2.816 N/A THR 284.A OG1 LEU 280.A O no hydrogen 2.522 N/A VAL 285.A N LEU 281.A O no hydrogen 2.920 N/A VAL 286.A N LEU 281.A O no hydrogen 3.030 N/A TRP 289.A N HIS 188.A O no hydrogen 2.826 N/A TRP 289.A NE1 SER 282.A OG no hydrogen 3.074 N/A VAL 291.A N ASN 288.A OD1 no hydrogen 2.992 N/A GLY 293.A N TRP 289.A O no hydrogen 2.718 N/A GLN 294.A N TYR 290.A O no hydrogen 2.672 N/A ASN 295.A N VAL 291.A O no hydrogen 3.067 N/A ASN 295.A N TRP 292.A O no hydrogen 3.192 N/A ASN 295.A ND2 VAL 291.A O no hydrogen 3.034 N/A