Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2psq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N ASP 4.A O no hydrogen 3.100 N/A GLU 8.A N ASP 4.A O no hydrogen 3.058 N/A PHE 9.A N ALA 86.A O no hydrogen 2.933 N/A ARG 11.A NE GLN 89.A O no hydrogen 2.998 N/A ARG 11.A NH1 PRO 92.A O no hydrogen 2.966 N/A ARG 11.A NH2 GLN 89.A O no hydrogen 3.354 N/A ARG 11.A NH2 PRO 92.A O no hydrogen 2.655 N/A LYS 13.A N PRO 10.A O no hydrogen 3.055 N/A LEU 14.A N ARG 11.A O no hydrogen 3.225 N/A THR 15.A N GLU 32.A O no hydrogen 3.038 N/A GLY 17.A N MET 30.A O no hydrogen 2.567 N/A LEU 20.A N VAL 28.A O no hydrogen 2.710 N/A GLN 27.A N MET 51.A O no hydrogen 3.001 N/A VAL 29.A N VAL 49.A O no hydrogen 2.985 N/A MET 30.A N LYS 18.A O no hydrogen 2.863 N/A ALA 31.A N VAL 47.A O no hydrogen 2.859 N/A GLU 32.A N THR 15.A O no hydrogen 3.280 N/A ALA 33.A N VAL 45.A O no hydrogen 2.706 N/A VAL 34.A N LYS 13.A O no hydrogen 2.874 N/A GLY 35.A N GLU 43.A O no hydrogen 2.605 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.999 N/A LYS 40.A N ASP 37.A O no hydrogen 2.677 N/A GLU 43.A N LYS 40.A O no hydrogen 2.948 N/A VAL 45.A N ALA 33.A O no hydrogen 2.634 N/A THR 46.A OG1 GLU 32.A OE2 no hydrogen 2.704 N/A VAL 47.A N ALA 31.A O no hydrogen 2.666 N/A ALA 48.A N VAL 97.A O no hydrogen 3.008 N/A VAL 49.A N VAL 29.A O no hydrogen 2.884 N/A LYS 50.A N VAL 95.A O no hydrogen 2.901 N/A LYS 50.A NZ GLU 67.A OE2 no hydrogen 3.200 N/A LYS 50.A NZ ASP 166.A OD2 no hydrogen 3.074 N/A MET 51.A N GLN 27.A O no hydrogen 2.756 N/A LYS 53.A NZ GLY 23.A O no hydrogen 3.433 N/A LYS 53.A NZ CYS 24.A O no hydrogen 3.232 N/A ALA 56.A N LYS 53.A O no hydrogen 3.260 N/A THR 57.A N ASP 60.A OD2 no hydrogen 2.781 N/A LYS 59.A NZ ASP 63.A OD1 no hydrogen 3.294 N/A ASP 60.A N THR 57.A O no hydrogen 3.063 N/A ASP 60.A N THR 57.A OG1 no hydrogen 3.165 N/A LEU 61.A N THR 57.A O no hydrogen 3.311 N/A SER 62.A N GLU 58.A O no hydrogen 3.142 N/A SER 62.A OG LYS 59.A O no hydrogen 3.178 N/A ASP 63.A N LYS 59.A O no hydrogen 2.961 N/A LEU 64.A N ASP 60.A O no hydrogen 2.923 N/A VAL 65.A N LEU 61.A O no hydrogen 2.972 N/A SER 66.A N SER 62.A O no hydrogen 3.028 N/A SER 66.A OG SER 62.A O no hydrogen 3.246 N/A GLU 67.A N ASP 63.A O no hydrogen 2.739 N/A MET 68.A N LEU 64.A O no hydrogen 2.922 N/A GLU 69.A N VAL 65.A O no hydrogen 2.903 N/A MET 70.A N SER 66.A O no hydrogen 2.921 N/A MET 71.A N GLU 67.A O no hydrogen 3.107 N/A LYS 72.A N MET 68.A O no hydrogen 3.109 N/A LYS 72.A N GLU 69.A O no hydrogen 3.176 N/A LYS 72.A NZ ASP 4.A OD1 no hydrogen 2.894 N/A LYS 72.A NZ GLU 69.A OE2 no hydrogen 2.688 N/A MET 73.A N GLU 69.A O no hydrogen 3.351 N/A MET 73.A N MET 70.A O no hydrogen 3.056 N/A ILE 74.A N MET 70.A O no hydrogen 3.246 N/A ILE 74.A N MET 71.A O no hydrogen 3.393 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.822 N/A ASN 79.A ND2 MET 162.A O no hydrogen 3.056 N/A ILE 80.A N HIS 77.A O no hydrogen 3.175 N/A ILE 81.A N ILE 164.A O no hydrogen 2.918 N/A ASN 82.A N GLU 98.A OE1 no hydrogen 2.813 N/A LEU 84.A N ILE 96.A O no hydrogen 2.661 N/A GLY 85.A N ILE 96.A O no hydrogen 3.000 N/A ALA 86.A N TRP 7.A O no hydrogen 3.007 N/A CYS 87.A N TYR 94.A O no hydrogen 2.919 N/A CYS 87.A SG PHE 9.A O no hydrogen 3.272 N/A THR 88.A N GLU 8.A OE1 no hydrogen 2.877 N/A THR 88.A OG1 GLU 8.A OE1 no hydrogen 3.522 N/A THR 88.A OG1 GLU 8.A OE2 no hydrogen 2.591 N/A GLN 89.A NE2 LEU 1.A O no hydrogen 2.984 N/A GLN 89.A NE2 PRO 2.A O no hydrogen 3.078 N/A GLN 89.A NE2 THR 88.A OG1 no hydrogen 2.775 N/A TYR 94.A N CYS 87.A O no hydrogen 3.052 N/A VAL 95.A N LYS 50.A O no hydrogen 2.903 N/A ILE 96.A N GLY 85.A O no hydrogen 2.855 N/A VAL 97.A N ALA 48.A O no hydrogen 2.909 N/A GLU 98.A N ASN 82.A O no hydrogen 3.103 N/A SER 101.A OG GLU 158.A OE2 no hydrogen 2.997 N/A LYS 102.A N VAL 156.A O no hydrogen 3.077 N/A LYS 102.A NZ ASN 160.A OD1 no hydrogen 3.014 N/A GLY 103.A N ALA 100.A O no hydrogen 3.271 N/A ASN 104.A ND2 GLU 107.A OE2 no hydrogen 3.293 N/A LEU 105.A N VAL 154.A O no hydrogen 2.663 N/A GLU 107.A N ASN 104.A OD1 no hydrogen 2.919 N/A TYR 108.A N ASN 104.A O no hydrogen 3.040 N/A TYR 108.A OH ASN 160.A OD1 no hydrogen 2.859 N/A LEU 109.A N LEU 105.A O no hydrogen 2.730 N/A ARG 110.A N ARG 106.A O no hydrogen 2.937 N/A ARG 110.A NE GLY 222.A O no hydrogen 2.901 N/A ARG 110.A NH2 GLY 222.A O no hydrogen 3.375 N/A ALA 111.A N GLU 107.A O no hydrogen 2.919 N/A ARG 112.A N LEU 109.A O no hydrogen 2.958 N/A ARG 113.A N ARG 110.A O no hydrogen 3.283 N/A ARG 113.A NE LEU 221.A O no hydrogen 2.771 N/A ARG 113.A NH2 THR 220.A O no hydrogen 2.966 N/A ARG 113.A NH2 LEU 221.A O no hydrogen 3.282 N/A THR 121.A N ASP 124.A OD2 no hydrogen 2.658 N/A THR 121.A OG1 ASP 124.A OD2 no hydrogen 2.628 N/A ASP 124.A N THR 121.A OG1 no hydrogen 3.124 N/A LEU 125.A N THR 121.A O no hydrogen 3.052 N/A VAL 126.A N PHE 122.A O no hydrogen 2.963 N/A SER 127.A N LYS 123.A O no hydrogen 2.751 N/A CYS 128.A N ASP 124.A O no hydrogen 2.871 N/A THR 129.A N LEU 125.A O no hydrogen 2.992 N/A THR 129.A OG1 LEU 125.A O no hydrogen 2.900 N/A TYR 130.A N VAL 126.A O no hydrogen 2.841 N/A GLN 131.A N SER 127.A O no hydrogen 2.947 N/A GLN 131.A NE2 SER 127.A O no hydrogen 3.445 N/A GLN 131.A NE2 SER 127.A OG no hydrogen 3.311 N/A LEU 132.A N CYS 128.A O no hydrogen 3.269 N/A ALA 133.A N THR 129.A O no hydrogen 2.937 N/A ARG 134.A N TYR 130.A O no hydrogen 3.001 N/A GLY 135.A N GLN 131.A O no hydrogen 3.159 N/A MET 136.A N LEU 132.A O no hydrogen 3.088 N/A GLU 137.A N ALA 133.A O no hydrogen 2.880 N/A TYR 138.A N ARG 134.A O no hydrogen 3.023 N/A LEU 139.A N GLY 135.A O no hydrogen 2.863 N/A ALA 140.A N MET 136.A O no hydrogen 2.854 N/A SER 141.A N GLU 137.A O no hydrogen 2.990 N/A SER 141.A OG TYR 138.A O no hydrogen 2.544 N/A GLN 142.A N LEU 139.A O no hydrogen 2.980 N/A LYS 143.A N ALA 140.A O no hydrogen 3.092 N/A CYS 144.A N LEU 139.A O no hydrogen 3.149 N/A CYS 144.A SG ARG 171.A O no hydrogen 3.867 N/A ILE 145.A N ARG 171.A O no hydrogen 2.946 N/A HIS 146.A N ASP 207.A OD1 no hydrogen 2.876 N/A HIS 146.A NE2 ALA 165.A O no hydrogen 2.854 N/A ARG 147.A N ASP 207.A OD2 no hydrogen 3.024 N/A ARG 147.A NH1 LEU 169.A O no hydrogen 2.764 N/A ARG 147.A NH2 ASN 184.A OD1 no hydrogen 3.168 N/A ASP 148.A N HIS 146.A ND1 no hydrogen 3.035 N/A ALA 151.A N GLU 217.A OE2 no hydrogen 2.799 N/A ARG 152.A NH2 ASP 148.A OD2 no hydrogen 2.931 N/A ASN 153.A N ALA 150.A O no hydrogen 2.822 N/A VAL 154.A N ALA 151.A O no hydrogen 3.039 N/A LEU 155.A N LYS 163.A O no hydrogen 2.832 N/A VAL 156.A N GLY 103.A O no hydrogen 2.991 N/A THR 157.A N VAL 161.A O no hydrogen 2.952 N/A ASN 159.A N THR 157.A OG1 no hydrogen 3.207 N/A ASN 160.A N THR 157.A O no hydrogen 3.008 N/A VAL 161.A N THR 157.A OG1 no hydrogen 3.094 N/A MET 162.A N GLN 131.A OE1 no hydrogen 2.826 N/A LYS 163.A N LEU 155.A O no hydrogen 2.788 N/A LYS 163.A NZ ILE 80.A O no hydrogen 3.182 N/A LYS 163.A NZ GLU 98.A OE1 no hydrogen 2.778 N/A ILE 164.A N ASN 79.A O no hydrogen 3.205 N/A ALA 165.A N ASN 153.A O no hydrogen 2.774 N/A ALA 170.A N PHE 167.A O no hydrogen 3.161 N/A ARG 171.A N ILE 145.A O no hydrogen 2.978 N/A ARG 171.A NH1 ALA 170.A O no hydrogen 2.702 N/A ILE 173.A N LYS 143.A O no hydrogen 2.687 N/A ASN 174.A N ASP 172.A OD1 no hydrogen 2.582 N/A ASN 175.A N ASP 172.A O no hydrogen 2.743 N/A TYR 178.A N ILE 176.A O no hydrogen 2.995 N/A TYR 179.A N ARG 200.A O no hydrogen 3.215 N/A LYS 180.A N ASP 177.A O no hydrogen 3.366 N/A THR 183.A N LYS 180.A O no hydrogen 2.952 N/A THR 183.A OG1 ASP 177.A O no hydrogen 2.417 N/A THR 183.A OG1 LYS 180.A O no hydrogen 3.314 N/A ASN 184.A ND2 ALA 196.A O no hydrogen 2.645 N/A ASN 184.A ND2 VAL 201.A O no hydrogen 3.068 N/A GLY 185.A N THR 182.A O no hydrogen 3.341 N/A LEU 187.A N ASN 184.A O no hydrogen 3.493 N/A LYS 190.A NZ PRO 225.A O no hydrogen 3.218 N/A LYS 190.A NZ TYR 226.A O no hydrogen 3.053 N/A LYS 190.A NZ ILE 229.A O no hydrogen 2.826 N/A TRP 191.A N PRO 188.A O no hydrogen 3.109 N/A TRP 191.A NE1 GLU 217.A OE2 no hydrogen 2.899 N/A MET 192.A N VAL 189.A O no hydrogen 3.032 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.856 N/A ALA 196.A N ALA 193.A O no hydrogen 3.166 N/A LEU 197.A N PRO 194.A O no hydrogen 3.130 N/A PHE 198.A N PRO 194.A O no hydrogen 2.968 N/A ASP 199.A N GLU 195.A O no hydrogen 2.747 N/A ARG 200.A N GLU 195.A O no hydrogen 3.110 N/A ARG 200.A NH1 THR 183.A O no hydrogen 3.015 N/A TYR 202.A OH ASP 207.A OD2 no hydrogen 2.517 N/A THR 203.A N SER 206.A OG no hydrogen 3.239 N/A GLN 205.A N THR 203.A OG1 no hydrogen 3.203 N/A SER 206.A N THR 203.A O no hydrogen 2.970 N/A SER 206.A OG GLU 195.A OE2 no hydrogen 3.009 N/A VAL 208.A N HIS 204.A O no hydrogen 3.141 N/A TRP 209.A N GLN 205.A O no hydrogen 3.352 N/A TRP 209.A N SER 206.A O no hydrogen 3.190 N/A SER 210.A N SER 206.A O no hydrogen 3.301 N/A SER 210.A OG TRP 191.A O no hydrogen 2.720 N/A SER 210.A OG SER 206.A O no hydrogen 3.392 N/A PHE 211.A N ASP 207.A O no hydrogen 2.767 N/A GLY 212.A N VAL 208.A O no hydrogen 2.960 N/A VAL 213.A N TRP 209.A O no hydrogen 3.203 N/A LEU 214.A N SER 210.A O no hydrogen 2.802 N/A MET 215.A N PHE 211.A O no hydrogen 2.761 N/A TRP 216.A N GLY 212.A O no hydrogen 3.007 N/A TRP 216.A NE1 ASP 245.A O no hydrogen 3.169 N/A GLU 217.A N VAL 213.A O no hydrogen 2.877 N/A ILE 218.A N LEU 214.A O no hydrogen 2.968 N/A PHE 219.A N MET 215.A O no hydrogen 3.073 N/A THR 220.A N TRP 216.A O no hydrogen 3.035 N/A THR 220.A N GLU 217.A O no hydrogen 3.324 N/A THR 220.A OG1 TRP 216.A O no hydrogen 2.874 N/A THR 220.A OG1 GLU 217.A O no hydrogen 2.986 N/A LEU 221.A N ILE 218.A O no hydrogen 2.962 N/A GLY 222.A N GLU 217.A O no hydrogen 2.848 N/A GLY 223.A N THR 220.A OG1 no hydrogen 2.902 N/A ILE 229.A N TYR 226.A O no hydrogen 2.993 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.928 N/A GLU 233.A N PRO 230.A O no hydrogen 3.056 N/A LEU 234.A N VAL 231.A O no hydrogen 3.178 N/A LEU 238.A N LEU 234.A O no hydrogen 2.978 N/A LYS 239.A N PHE 235.A O no hydrogen 3.027 N/A GLU 240.A N LYS 236.A O no hydrogen 3.245 N/A GLY 241.A N LEU 238.A O no hydrogen 2.760 N/A HIS 242.A N LEU 237.A O no hydrogen 2.972 N/A ARG 243.A NE TRP 262.A O no hydrogen 2.835 N/A ARG 243.A NH1 LEU 238.A O no hydrogen 3.211 N/A ARG 243.A NH1 HIS 242.A O no hydrogen 2.725 N/A ARG 243.A NH2 TRP 262.A O no hydrogen 3.070 N/A LYS 246.A NZ CYS 250.A O no hydrogen 2.970 N/A CYS 250.A N PRO 247.A O no hydrogen 2.928 N/A CYS 250.A SG THR 251.A O no hydrogen 3.440 N/A LEU 254.A N THR 251.A OG1 no hydrogen 3.369 N/A TYR 255.A N THR 251.A O no hydrogen 3.053 N/A TYR 255.A OH MET 244.A O no hydrogen 2.510 N/A MET 256.A N ASN 252.A O no hydrogen 2.849 N/A MET 257.A N GLU 253.A O no hydrogen 3.246 N/A MET 258.A N LEU 254.A O no hydrogen 3.096 N/A ARG 259.A N TYR 255.A O no hydrogen 2.862 N/A ARG 259.A NH1 TYR 255.A OH no hydrogen 3.008 N/A ASP 260.A N MET 256.A O no hydrogen 2.942 N/A CYS 261.A N MET 257.A O no hydrogen 3.061 N/A CYS 261.A SG MET 257.A O no hydrogen 3.455 N/A TRP 262.A N MET 258.A O no hydrogen 3.070 N/A TRP 262.A N ARG 259.A O no hydrogen 3.041 N/A HIS 263.A N ASP 260.A O no hydrogen 2.856 N/A GLN 268.A N VAL 265.A O no hydrogen 2.967 N/A ARG 269.A N PRO 266.A O no hydrogen 3.099 N/A ARG 269.A NE HIS 263.A O no hydrogen 2.671 N/A ARG 269.A NH1 GLU 195.A OE1 no hydrogen 3.385 N/A ARG 269.A NH1 GLU 195.A OE2 no hydrogen 2.747 N/A ARG 269.A NH1 GLN 205.A O no hydrogen 2.985 N/A ARG 269.A NH2 GLU 195.A OE1 no hydrogen 2.786 N/A ARG 269.A NH2 HIS 263.A O no hydrogen 3.171 N/A THR 271.A N GLN 274.A OE1 no hydrogen 3.013 N/A GLN 274.A N THR 271.A OG1 no hydrogen 3.372 N/A LEU 275.A N THR 271.A O no hydrogen 2.998 N/A VAL 276.A N PHE 272.A O no hydrogen 2.944 N/A GLU 277.A N LYS 273.A O no hydrogen 3.261 N/A ASP 278.A N GLN 274.A O no hydrogen 2.947 N/A LEU 279.A N LEU 275.A O no hydrogen 2.813 N/A ASP 280.A N VAL 276.A O no hydrogen 2.782 N/A ARG 281.A N GLU 277.A O no hydrogen 2.929 N/A ARG 281.A NH1 ASP 278.A OD1 no hydrogen 2.802 N/A ILE 282.A N ASP 278.A O no hydrogen 2.864 N/A LEU 283.A N LEU 279.A O no hydrogen 2.769 N/A THR 284.A N ASP 280.A O no hydrogen 3.095 N/A THR 284.A OG1 ASP 280.A O no hydrogen 2.723 N/A LEU 285.A N ARG 281.A O no hydrogen 3.349 N/A THR 286.A N ILE 282.A O no hydrogen 3.295 N/A THR 286.A OG1 ILE 282.A O no hydrogen 2.961 N/A THR 287.A N LEU 283.A O no hydrogen 2.867 N/A THR 287.A OG1 LEU 283.A O no hydrogen 3.527 N/A