Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rej_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N GLU 2.A O no hydrogen 3.062 N/A ALA 7.A N PHE 3.A O no hydrogen 2.755 N/A LYS 8.A N LEU 4.A O no hydrogen 3.123 N/A GLU 9.A N ALA 5.A O no hydrogen 3.263 N/A ASP 10.A N LYS 6.A O no hydrogen 3.167 N/A PHE 11.A N ALA 7.A O no hydrogen 3.059 N/A LEU 12.A N LYS 8.A O no hydrogen 2.890 N/A LYS 13.A N GLU 9.A O no hydrogen 3.243 N/A LYS 14.A N ASP 10.A O no hydrogen 3.443 N/A LYS 14.A NZ ASP 10.A OD1 no hydrogen 3.141 N/A LYS 14.A NZ ASP 10.A OD2 no hydrogen 3.117 N/A TRP 15.A N PHE 11.A O no hydrogen 2.766 N/A GLU 16.A N LEU 12.A O no hydrogen 2.753 N/A THR 17.A N LYS 13.A O no hydrogen 3.026 N/A THR 17.A OG1 LYS 13.A O no hydrogen 2.832 N/A THR 17.A OG1 GLU 16.A OE2 no hydrogen 2.816 N/A SER 19.A N GLN 81.A OE1 no hydrogen 3.120 N/A THR 22.A N SER 94.A O no hydrogen 2.696 N/A THR 22.A OG1 SER 94.A O no hydrogen 3.101 N/A GLN 24.A N GLN 27.A OE1 no hydrogen 3.143 N/A GLN 27.A N GLN 24.A O no hydrogen 3.294 N/A PHE 28.A N LEU 25.A O no hydrogen 2.983 N/A ASP 29.A N LYS 46.A O no hydrogen 2.599 N/A ILE 31.A N LEU 44.A O no hydrogen 3.070 N/A LYS 32.A NZ ASP 313.A OD1 no hydrogen 3.296 N/A THR 33.A N GLU 316.A OE2 no hydrogen 3.372 N/A THR 33.A OG1 GLU 316.A OE1 no hydrogen 2.581 N/A LEU 34.A N VAL 42.A O no hydrogen 2.882 N/A GLY 35.A N VAL 42.A O no hydrogen 3.206 N/A GLY 37.A N GLY 40.A O no hydrogen 2.958 N/A ARG 41.A N ILE 58.A O no hydrogen 3.335 N/A ARG 41.A NH1 THR 33.A OG1 no hydrogen 2.945 N/A ARG 41.A NH1 GLU 315.A O no hydrogen 2.934 N/A ARG 41.A NH2 GLU 315.A O no hydrogen 3.495 N/A VAL 42.A N GLY 35.A O no hydrogen 2.750 N/A MET 43.A N MET 56.A O no hydrogen 2.853 N/A LEU 44.A N LYS 32.A O no hydrogen 2.761 N/A VAL 45.A N TYR 54.A O no hydrogen 2.834 N/A LYS 46.A N ASP 29.A O no hydrogen 2.833 N/A HIS 47.A N ASN 52.A O no hydrogen 2.628 N/A LYS 48.A N GLN 27.A O no hydrogen 2.846 N/A LYS 48.A NZ ASP 26.A O no hydrogen 2.973 N/A GLY 51.A N HIS 47.A O no hydrogen 2.670 N/A ASN 52.A N SER 50.A OG no hydrogen 3.099 N/A ASN 52.A ND2 TYR 54.A OH no hydrogen 3.266 N/A TYR 54.A N VAL 45.A O no hydrogen 2.970 N/A ALA 55.A N MET 105.A O no hydrogen 2.635 N/A MET 56.A N MET 43.A O no hydrogen 2.745 N/A LYS 57.A N MET 103.A O no hydrogen 2.738 N/A LYS 57.A NZ GLU 76.A OE1 no hydrogen 2.806 N/A LYS 57.A NZ GLU 76.A OE2 no hydrogen 3.483 N/A ILE 58.A N ARG 41.A O no hydrogen 2.854 N/A LEU 59.A N LEU 101.A O no hydrogen 2.742 N/A ASP 60.A N PHE 39.A O no hydrogen 2.873 N/A LYS 61.A N SER 99.A O no hydrogen 2.826 N/A LYS 61.A NZ ASP 97.A O no hydrogen 3.206 N/A LYS 61.A NZ ASN 98.A O no hydrogen 3.520 N/A LYS 61.A NZ LYS 325.A O no hydrogen 2.947 N/A LYS 63.A N ASP 60.A OD1 no hydrogen 3.144 N/A VAL 64.A N ASP 60.A O no hydrogen 3.400 N/A VAL 65.A N LYS 61.A O no hydrogen 3.068 N/A LYS 66.A N GLN 62.A O no hydrogen 2.960 N/A LEU 67.A N LYS 63.A O no hydrogen 2.832 N/A LYS 68.A N VAL 65.A O no hydrogen 3.123 N/A ILE 70.A N LYS 68.A O no hydrogen 3.008 N/A THR 73.A N GLN 69.A O no hydrogen 3.119 N/A THR 73.A OG1 GLN 69.A O no hydrogen 2.649 N/A LEU 74.A N ILE 70.A O no hydrogen 3.071 N/A ASN 75.A N GLU 71.A O no hydrogen 2.781 N/A GLU 76.A N HIS 72.A O no hydrogen 2.818 N/A LYS 77.A N THR 73.A O no hydrogen 3.330 N/A LYS 77.A NZ SER 19.A O no hydrogen 3.103 N/A LYS 77.A NZ PHE 333.A O no hydrogen 3.071 N/A ARG 78.A N LEU 74.A O no hydrogen 2.910 N/A ARG 78.A NE TRP 15.A O no hydrogen 2.763 N/A ARG 78.A NH2 TRP 15.A O no hydrogen 2.600 N/A ILE 79.A N ASN 75.A O no hydrogen 2.943 N/A LEU 80.A N GLU 76.A O no hydrogen 3.009 N/A GLN 81.A N LYS 77.A O no hydrogen 3.172 N/A GLN 81.A NE2 LYS 14.A O no hydrogen 3.160 N/A GLN 81.A NE2 ARG 78.A O no hydrogen 2.845 N/A ALA 82.A N ILE 79.A O no hydrogen 3.085 N/A VAL 83.A N ILE 79.A O no hydrogen 2.943 N/A ASN 84.A N TYR 141.A OH no hydrogen 2.942 N/A LEU 88.A N PHE 85.A O no hydrogen 3.424 N/A VAL 89.A N VAL 167.A O no hydrogen 2.908 N/A GLU 92.A N VAL 104.A O no hydrogen 2.876 N/A PHE 93.A N VAL 104.A O no hydrogen 3.112 N/A SER 94.A N THR 22.A OG1 no hydrogen 2.846 N/A SER 94.A OG TYR 102.A O no hydrogen 3.084 N/A PHE 95.A N TYR 102.A O no hydrogen 3.203 N/A LYS 96.A NZ PHE 330.A O no hydrogen 2.680 N/A LYS 96.A NZ THR 331.A O no hydrogen 3.437 N/A LYS 96.A NZ PHE 333.A OXT no hydrogen 2.817 N/A ASP 97.A N ASN 100.A O no hydrogen 3.148 N/A ASN 100.A ND2 TYR 102.A OH no hydrogen 2.870 N/A ASN 100.A ND2 ARG 320.A O no hydrogen 3.512 N/A LEU 101.A N LEU 59.A O no hydrogen 2.666 N/A TYR 102.A N PHE 95.A O no hydrogen 2.869 N/A MET 103.A N LYS 57.A O no hydrogen 2.970 N/A VAL 104.A N PHE 93.A O no hydrogen 3.069 N/A MET 105.A N ALA 55.A O no hydrogen 2.748 N/A GLU 106.A N LYS 90.A O no hydrogen 3.162 N/A TYR 107.A OH ASP 307.A O no hydrogen 2.589 N/A GLY 111.A N VAL 108.A O no hydrogen 3.198 N/A MET 113.A N LEU 157.A O no hydrogen 2.702 N/A PHE 114.A N PRO 154.A O no hydrogen 3.073 N/A SER 115.A N GLU 112.A O no hydrogen 3.170 N/A LEU 117.A N MET 113.A O no hydrogen 2.921 N/A ARG 118.A N PHE 114.A O no hydrogen 2.921 N/A ARG 118.A NH2 GLU 214.A OE1 no hydrogen 2.865 N/A ARG 119.A N SER 115.A O no hydrogen 2.692 N/A ILE 120.A N HIS 116.A O no hydrogen 2.777 N/A GLY 121.A N LEU 117.A O no hydrogen 2.879 N/A PHE 123.A N MET 215.A O no hydrogen 2.807 N/A HIS 127.A N SER 124.A OG no hydrogen 3.306 N/A HIS 127.A NE2 TYR 131.A OH no hydrogen 2.921 N/A ALA 128.A N SER 124.A O no hydrogen 2.782 N/A ARG 129.A N GLU 125.A O no hydrogen 2.811 N/A ARG 129.A NH1 TRP 280.A O no hydrogen 2.617 N/A PHE 130.A N PRO 126.A O no hydrogen 2.860 N/A TYR 131.A N HIS 127.A O no hydrogen 3.352 N/A TYR 131.A OH HIS 127.A NE2 no hydrogen 2.921 N/A ALA 132.A N ALA 128.A O no hydrogen 2.825 N/A ALA 133.A N ARG 129.A O no hydrogen 2.900 N/A GLN 134.A N TYR 131.A O no hydrogen 3.142 N/A GLN 134.A NE2 PHE 130.A O no hydrogen 3.181 N/A ILE 135.A N TYR 131.A O no hydrogen 3.288 N/A VAL 136.A N ALA 132.A O no hydrogen 2.917 N/A LEU 137.A N ALA 133.A O no hydrogen 3.224 N/A THR 138.A N GLN 134.A O no hydrogen 2.903 N/A THR 138.A OG1 GLN 134.A O no hydrogen 2.747 N/A PHE 139.A N ILE 135.A O no hydrogen 2.661 N/A GLU 140.A N VAL 136.A O no hydrogen 2.971 N/A TYR 141.A N LEU 137.A O no hydrogen 3.190 N/A LEU 142.A N THR 138.A O no hydrogen 2.924 N/A HIS 143.A N PHE 139.A O no hydrogen 3.026 N/A HIS 143.A ND1 LEU 147.A O no hydrogen 3.311 N/A SER 144.A N GLU 140.A O no hydrogen 3.156 N/A SER 144.A OG TYR 141.A O no hydrogen 2.935 N/A ASP 146.A N HIS 143.A O no hydrogen 3.043 N/A LEU 147.A N LEU 142.A O no hydrogen 2.791 N/A ILE 148.A N LYS 174.A O no hydrogen 2.720 N/A TYR 149.A N ASP 204.A OD2 no hydrogen 3.062 N/A TYR 149.A OH ASP 151.A O no hydrogen 3.356 N/A TYR 149.A OH THR 168.A O no hydrogen 2.643 N/A TYR 149.A OH ASP 169.A O no hydrogen 3.364 N/A ARG 150.A N ASP 204.A OD1 no hydrogen 3.031 N/A ARG 150.A NE PHE 172.A O no hydrogen 2.600 N/A ARG 150.A NH2 HIS 72.A NE2 no hydrogen 3.448 N/A ARG 150.A NH2 PHE 172.A O no hydrogen 2.751 N/A LYS 153.A NZ THR 185.A OG1 no hydrogen 3.294 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 3.062 N/A ASN 156.A N LYS 153.A O no hydrogen 3.148 N/A ASN 156.A ND2 ASP 151.A O no hydrogen 2.666 N/A ASN 156.A ND2 ASP 151.A OD2 no hydrogen 2.838 N/A LEU 157.A N PRO 154.A O no hydrogen 3.408 N/A LEU 158.A N GLN 166.A O no hydrogen 2.914 N/A ILE 159.A N GLY 111.A O no hydrogen 2.871 N/A ASP 160.A N TYR 164.A O no hydrogen 2.808 N/A GLN 162.A N ASP 160.A OD1 no hydrogen 3.055 N/A GLY 163.A N ASP 160.A O no hydrogen 2.761 N/A TYR 164.A N ASP 160.A OD1 no hydrogen 2.925 N/A TYR 164.A OH VAL 294.A O no hydrogen 2.699 N/A ILE 165.A N GLN 134.A OE1 no hydrogen 2.798 N/A GLN 166.A N LEU 158.A O no hydrogen 2.778 N/A GLN 166.A NE2 PRO 86.A O no hydrogen 3.603 N/A GLN 166.A NE2 GLU 106.A OE2 no hydrogen 2.991 N/A VAL 167.A N PHE 87.A O no hydrogen 2.651 N/A THR 168.A N ASN 156.A O no hydrogen 2.979 N/A ASP 169.A N THR 168.A OG1 no hydrogen 2.772 N/A ALA 173.A N PHE 170.A O no hydrogen 3.191 N/A LYS 174.A N ILE 148.A O no hydrogen 2.748 N/A LYS 174.A NZ THR 180.A OG1 no hydrogen 2.862 N/A VAL 176.A N ASP 146.A O no hydrogen 2.741 N/A ARG 179.A NE GLY 198.A O no hydrogen 2.852 N/A THR 180.A N TYR 199.A O no hydrogen 2.692 N/A THR 185.A OG1 ASP 151.A OD1 no hydrogen 2.880 N/A TYR 188.A N THR 185.A O no hydrogen 2.872 N/A TYR 188.A OH GLU 214.A OE2 no hydrogen 2.723 N/A LEU 189.A N PRO 186.A O no hydrogen 3.442 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.890 N/A ILE 193.A N ALA 190.A O no hydrogen 3.016 N/A ILE 194.A N ALA 190.A O no hydrogen 3.272 N/A LEU 195.A N PRO 191.A O no hydrogen 2.860 N/A SER 196.A N ILE 193.A O no hydrogen 3.015 N/A LYS 197.A N GLU 192.A O no hydrogen 2.852 N/A TYR 199.A N THR 180.A O no hydrogen 2.866 N/A LYS 201.A NZ GLY 266.A O no hydrogen 2.711 N/A VAL 203.A N ASN 200.A O no hydrogen 3.040 N/A ASP 204.A N LYS 201.A O no hydrogen 3.272 N/A TRP 206.A N ALA 202.A O no hydrogen 3.028 N/A ALA 207.A N VAL 203.A O no hydrogen 3.033 N/A LEU 208.A N ASP 204.A O no hydrogen 3.062 N/A LEU 208.A N TRP 205.A O no hydrogen 3.130 N/A GLY 209.A N TRP 205.A O no hydrogen 3.265 N/A VAL 210.A N TRP 206.A O no hydrogen 3.133 N/A LEU 211.A N ALA 207.A O no hydrogen 3.035 N/A ILE 212.A N LEU 208.A O no hydrogen 3.008 N/A TYR 213.A N GLY 209.A O no hydrogen 3.178 N/A TYR 213.A OH ARG 240.A O no hydrogen 2.686 N/A GLU 214.A N VAL 210.A O no hydrogen 2.882 N/A MET 215.A N LEU 211.A O no hydrogen 2.598 N/A ALA 216.A N ILE 212.A O no hydrogen 2.994 N/A ALA 217.A N TYR 213.A O no hydrogen 2.756 N/A GLY 218.A N GLU 214.A O no hydrogen 2.773 N/A GLN 226.A N GLN 229.A OE1 no hydrogen 3.093 N/A GLN 229.A N GLN 226.A O no hydrogen 2.974 N/A ILE 230.A N GLN 226.A O no hydrogen 3.082 N/A TYR 231.A N PRO 227.A O no hydrogen 2.987 N/A GLU 232.A N ILE 228.A O no hydrogen 3.162 N/A LYS 233.A N GLN 229.A O no hydrogen 3.316 N/A LYS 233.A NZ GLN 229.A O no hydrogen 3.488 N/A ILE 234.A N ILE 230.A O no hydrogen 3.067 N/A VAL 235.A N TYR 231.A O no hydrogen 3.006 N/A SER 236.A OG GLU 232.A O no hydrogen 3.333 N/A SER 236.A OG LYS 233.A O no hydrogen 2.866 N/A GLY 237.A N LYS 233.A O no hydrogen 2.991 N/A PHE 245.A N PRO 242.A O no hydrogen 3.082 N/A SER 246.A N GLU 125.A OE2 no hydrogen 2.954 N/A SER 246.A OG GLU 125.A OE1 no hydrogen 2.876 N/A LEU 249.A N SER 246.A OG no hydrogen 3.039 N/A LYS 250.A N SER 246.A O no hydrogen 3.035 N/A ASP 251.A N SER 247.A O no hydrogen 2.957 N/A LEU 252.A N ASP 248.A O no hydrogen 2.993 N/A LEU 253.A N LEU 249.A O no hydrogen 3.030 N/A ARG 254.A N LYS 250.A O no hydrogen 2.957 N/A ASN 255.A N ASP 251.A O no hydrogen 3.333 N/A ASN 255.A N LEU 252.A O no hydrogen 2.922 N/A LEU 256.A N LEU 252.A O no hydrogen 2.956 N/A LEU 257.A N LEU 253.A O no hydrogen 2.802 N/A ASP 260.A N GLN 258.A OE1 no hydrogen 2.948 N/A THR 262.A N ASP 260.A OD1 no hydrogen 3.321 N/A THR 262.A OG1 ASP 260.A OD1 no hydrogen 2.854 N/A LYS 263.A N ASP 260.A O no hydrogen 2.897 N/A ARG 264.A NE GLN 258.A O no hydrogen 2.745 N/A ARG 264.A NH1 GLU 192.A OE1 no hydrogen 3.452 N/A ARG 264.A NH1 GLU 192.A OE2 no hydrogen 2.773 N/A ARG 264.A NH1 ALA 202.A O no hydrogen 2.894 N/A ARG 264.A NH2 GLU 192.A OE1 no hydrogen 2.970 N/A ARG 264.A NH2 GLN 258.A O no hydrogen 2.824 N/A ARG 264.A NH2 VAL 259.A O no hydrogen 3.373 N/A PHE 265.A N ASN 255.A O no hydrogen 2.873 N/A ASN 267.A N ARG 264.A O no hydrogen 3.199 N/A ASN 267.A ND2 LEU 261.A O no hydrogen 2.870 N/A ASN 270.A ND2 ASP 274.A OD2 no hydrogen 3.267 N/A GLY 271.A N LEU 268.A O no hydrogen 3.064 N/A ASN 273.A N ASN 270.A O no hydrogen 3.312 N/A ASN 273.A ND2 ASN 270.A O no hydrogen 3.103 N/A ASP 274.A N GLY 271.A O no hydrogen 3.261 N/A ILE 275.A N VAL 272.A O no hydrogen 2.905 N/A LYS 276.A N VAL 272.A O no hydrogen 2.918 N/A LYS 276.A NZ GLU 140.A OE1 no hydrogen 3.272 N/A LYS 276.A NZ GLU 140.A OE2 no hydrogen 3.093 N/A ASN 277.A N ASN 273.A O no hydrogen 2.847 N/A HIS 278.A N ILE 275.A O no hydrogen 3.050 N/A HIS 278.A NE2 ASP 251.A OD1 no hydrogen 2.898 N/A TRP 280.A N HIS 278.A ND1 no hydrogen 2.996 N/A TRP 280.A NE1 GLU 125.A OE1 no hydrogen 2.859 N/A PHE 281.A N HIS 278.A O no hydrogen 2.859 N/A ALA 282.A N LYS 279.A O no hydrogen 3.301 N/A THR 284.A N PHE 281.A O no hydrogen 2.989 N/A TRP 286.A NE1 LYS 276.A O no hydrogen 3.133 N/A ILE 287.A N ASP 285.A OD1 no hydrogen 3.267 N/A ALA 288.A N ASP 285.A OD1 no hydrogen 3.161 N/A ILE 289.A N ASP 285.A O no hydrogen 2.958 N/A TYR 290.A N TRP 286.A O no hydrogen 3.303 N/A GLN 291.A N ILE 287.A O no hydrogen 2.721 N/A ARG 292.A N ILE 289.A O no hydrogen 3.000 N/A ARG 292.A NH1 PRO 86.A O no hydrogen 3.500 N/A ARG 292.A NH1 ASP 160.A OD2 no hydrogen 3.126 N/A ARG 292.A NH2 ASP 160.A OD1 no hydrogen 3.137 N/A ARG 292.A NH2 ASP 160.A OD2 no hydrogen 2.691 N/A LYS 293.A N ALA 288.A O no hydrogen 2.728 N/A VAL 294.A N TYR 164.A OH no hydrogen 3.146 N/A PHE 311.A N THR 308.A O no hydrogen 2.955 N/A LYS 325.A N ASN 98.A O no hydrogen 2.987 N/A GLU 329.A N GLU 329.A OE2 no hydrogen 2.870 N/A PHE 330.A N GLY 327.A O no hydrogen 3.057 N/A PHE 333.A N PHE 330.A O no hydrogen 3.173 N/A