Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1re8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N GLN 1.A O no hydrogen 3.074 N/A GLU 6.A N GLU 2.A O no hydrogen 3.062 N/A LEU 8.A N VAL 4.A O no hydrogen 2.884 N/A ALA 9.A N LYS 5.A O no hydrogen 2.928 N/A LYS 10.A N GLU 6.A O no hydrogen 3.017 N/A ALA 11.A N PHE 7.A O no hydrogen 3.035 N/A LYS 12.A N LEU 8.A O no hydrogen 3.051 N/A LYS 12.A NZ ASP 150.A OD1 no hydrogen 3.285 N/A GLU 13.A N ALA 9.A O no hydrogen 3.332 N/A ASP 14.A N LYS 10.A O no hydrogen 3.025 N/A PHE 15.A N ALA 11.A O no hydrogen 3.085 N/A LEU 16.A N LYS 12.A O no hydrogen 2.851 N/A LYS 17.A N GLU 13.A O no hydrogen 3.211 N/A TRP 19.A N PHE 15.A O no hydrogen 2.807 N/A GLU 20.A N LEU 16.A O no hydrogen 2.909 N/A THR 26.A N SER 98.A O no hydrogen 2.956 N/A THR 26.A OG1 SER 98.A O no hydrogen 3.123 N/A GLN 31.A N GLN 28.A O no hydrogen 3.414 N/A GLN 31.A NE2 GLN 28.A O no hydrogen 3.599 N/A PHE 32.A N LEU 29.A O no hydrogen 3.215 N/A ASP 33.A N LYS 50.A O no hydrogen 2.717 N/A ARG 34.A NH1 GLU 321.A O no hydrogen 2.816 N/A ARG 34.A NH2 GLU 320.A OE2 no hydrogen 2.934 N/A ARG 34.A NH2 GLU 321.A O no hydrogen 2.746 N/A ILE 35.A N LEU 48.A O no hydrogen 2.864 N/A LYS 36.A N LEU 48.A O no hydrogen 3.454 N/A LYS 36.A NZ ASP 317.A OD1 no hydrogen 2.821 N/A THR 37.A N GLU 320.A OE1 no hydrogen 2.877 N/A THR 37.A OG1 GLU 320.A OE1 no hydrogen 3.316 N/A THR 37.A OG1 GLU 320.A OE2 no hydrogen 2.759 N/A LEU 38.A N VAL 46.A O no hydrogen 2.864 N/A GLY 41.A N GLY 44.A O no hydrogen 2.959 N/A ARG 45.A N ILE 62.A O no hydrogen 3.056 N/A ARG 45.A NH1 GLU 321.A O no hydrogen 3.257 N/A ARG 45.A NH2 GLU 321.A O no hydrogen 3.198 N/A VAL 46.A N GLY 39.A O no hydrogen 2.927 N/A MET 47.A N MET 60.A O no hydrogen 2.715 N/A LEU 48.A N LYS 36.A O no hydrogen 2.758 N/A VAL 49.A N TYR 58.A O no hydrogen 2.754 N/A LYS 50.A N ASP 33.A O no hydrogen 2.707 N/A HIS 51.A N ASN 56.A O no hydrogen 2.809 N/A LYS 52.A N GLN 31.A O no hydrogen 2.921 N/A LYS 52.A NZ ASP 30.A O no hydrogen 2.765 N/A SER 54.A OG ASN 56.A OD1 no hydrogen 2.961 N/A GLY 55.A N HIS 51.A O no hydrogen 2.782 N/A ASN 56.A N SER 54.A OG no hydrogen 3.373 N/A TYR 58.A N VAL 49.A O no hydrogen 2.914 N/A TYR 58.A OH ASN 56.A OD1 no hydrogen 3.275 N/A ALA 59.A N MET 109.A O no hydrogen 3.072 N/A MET 60.A N MET 47.A O no hydrogen 2.648 N/A LYS 61.A N MET 107.A O no hydrogen 2.768 N/A LYS 61.A NZ GLU 80.A OE1 no hydrogen 2.862 N/A LYS 61.A NZ GLU 80.A OE2 no hydrogen 3.377 N/A ILE 62.A N ARG 45.A O no hydrogen 2.769 N/A LEU 63.A N LEU 105.A O no hydrogen 2.904 N/A ASP 64.A N PHE 43.A O no hydrogen 2.787 N/A LYS 65.A N SER 103.A O no hydrogen 2.837 N/A LYS 65.A NZ ASP 101.A O no hydrogen 2.779 N/A LYS 65.A NZ ASN 102.A O no hydrogen 3.193 N/A LYS 65.A NZ LYS 329.A O no hydrogen 2.794 N/A LYS 67.A N ASP 64.A O no hydrogen 3.156 N/A LYS 67.A N ASP 64.A OD2 no hydrogen 3.046 N/A VAL 68.A N ASP 64.A O no hydrogen 3.275 N/A VAL 69.A N LYS 65.A O no hydrogen 3.241 N/A LYS 70.A N GLN 66.A O no hydrogen 3.054 N/A LEU 71.A N LYS 67.A O no hydrogen 3.353 N/A GLN 73.A N VAL 68.A O no hydrogen 3.340 N/A GLN 73.A NE2 LEU 71.A O no hydrogen 2.844 N/A THR 77.A N GLN 73.A O no hydrogen 3.239 N/A THR 77.A OG1 ILE 74.A O no hydrogen 2.850 N/A LEU 78.A N ILE 74.A O no hydrogen 3.007 N/A ASN 79.A N GLU 75.A O no hydrogen 2.743 N/A GLU 80.A N HIS 76.A O no hydrogen 2.959 N/A LYS 81.A N THR 77.A O no hydrogen 3.469 N/A LYS 81.A NZ SER 23.A O no hydrogen 2.801 N/A LYS 81.A NZ PHE 337.A OXT no hydrogen 2.829 N/A ARG 82.A N LEU 78.A O no hydrogen 3.245 N/A ARG 82.A NE TRP 19.A O no hydrogen 2.939 N/A ARG 82.A NH2 TRP 19.A O no hydrogen 2.796 N/A ILE 83.A N ASN 79.A O no hydrogen 3.064 N/A LEU 84.A N GLU 80.A O no hydrogen 3.053 N/A GLN 85.A N LYS 81.A O no hydrogen 2.945 N/A GLN 85.A NE2 LYS 18.A O no hydrogen 3.518 N/A GLN 85.A NE2 ARG 82.A O no hydrogen 2.686 N/A ALA 86.A N ARG 82.A O no hydrogen 3.152 N/A ALA 86.A N ILE 83.A O no hydrogen 2.921 N/A VAL 87.A N ILE 83.A O no hydrogen 2.947 N/A ASN 88.A N TYR 145.A OH no hydrogen 2.923 N/A LEU 92.A N PHE 89.A O no hydrogen 3.130 N/A VAL 93.A N VAL 171.A O no hydrogen 2.857 N/A GLU 96.A N VAL 108.A O no hydrogen 2.825 N/A PHE 97.A N VAL 108.A O no hydrogen 2.994 N/A SER 98.A N THR 26.A OG1 no hydrogen 3.021 N/A PHE 99.A N TYR 106.A O no hydrogen 3.089 N/A LYS 100.A NZ PHE 334.A O no hydrogen 2.797 N/A LYS 100.A NZ PHE 337.A O no hydrogen 2.863 N/A ASP 101.A N ASN 104.A O no hydrogen 2.971 N/A SER 103.A N ASP 101.A OD2 no hydrogen 3.135 N/A SER 103.A OG ARG 324.A O no hydrogen 3.517 N/A ASN 104.A N ASP 101.A OD2 no hydrogen 2.929 N/A ASN 104.A ND2 TYR 106.A OH no hydrogen 2.942 N/A ASN 104.A ND2 ARG 324.A O no hydrogen 3.530 N/A LEU 105.A N LEU 63.A O no hydrogen 2.842 N/A TYR 106.A N PHE 99.A O no hydrogen 2.799 N/A TYR 106.A OH ASP 101.A OD1 no hydrogen 2.747 N/A MET 107.A N LYS 61.A O no hydrogen 3.047 N/A VAL 108.A N PHE 97.A O no hydrogen 2.744 N/A MET 109.A N ALA 59.A O no hydrogen 2.766 N/A GLU 110.A N LYS 94.A O no hydrogen 2.916 N/A TYR 111.A OH ASP 311.A O no hydrogen 2.639 N/A MET 117.A N LEU 161.A O no hydrogen 2.753 N/A PHE 118.A N PRO 158.A O no hydrogen 3.186 N/A LEU 121.A N MET 117.A O no hydrogen 2.871 N/A ARG 122.A N PHE 118.A O no hydrogen 2.997 N/A ARG 122.A NH2 GLU 218.A OE2 no hydrogen 3.061 N/A ARG 123.A N SER 119.A O no hydrogen 3.031 N/A ILE 124.A N HIS 120.A O no hydrogen 3.043 N/A GLY 125.A N LEU 121.A O no hydrogen 2.915 N/A PHE 127.A N MET 219.A O no hydrogen 2.767 N/A HIS 131.A N SER 128.A OG no hydrogen 3.207 N/A HIS 131.A NE2 TYR 135.A OH no hydrogen 2.979 N/A ALA 132.A N SER 128.A O no hydrogen 2.847 N/A ARG 133.A N GLU 129.A O no hydrogen 2.935 N/A ARG 133.A NE TRP 284.A O no hydrogen 2.572 N/A ARG 133.A NH2 TRP 284.A O no hydrogen 3.108 N/A PHE 134.A N PRO 130.A O no hydrogen 3.163 N/A TYR 135.A N HIS 131.A O no hydrogen 3.379 N/A TYR 135.A OH HIS 131.A NE2 no hydrogen 2.979 N/A ALA 136.A N ALA 132.A O no hydrogen 2.808 N/A ALA 137.A N ARG 133.A O no hydrogen 2.864 N/A ILE 139.A N TYR 135.A O no hydrogen 3.181 N/A VAL 140.A N ALA 136.A O no hydrogen 2.937 N/A LEU 141.A N ALA 137.A O no hydrogen 3.079 N/A THR 142.A N GLN 138.A O no hydrogen 2.960 N/A THR 142.A OG1 GLN 138.A O no hydrogen 2.790 N/A PHE 143.A N ILE 139.A O no hydrogen 2.838 N/A GLU 144.A N VAL 140.A O no hydrogen 2.934 N/A TYR 145.A N LEU 141.A O no hydrogen 3.042 N/A LEU 146.A N THR 142.A O no hydrogen 2.891 N/A HIS 147.A N PHE 143.A O no hydrogen 2.727 N/A HIS 147.A ND1 LEU 151.A O no hydrogen 2.977 N/A SER 148.A N GLU 144.A O no hydrogen 3.223 N/A SER 148.A OG GLU 144.A O no hydrogen 2.816 N/A LEU 149.A N LEU 146.A O no hydrogen 3.121 N/A ASP 150.A N HIS 147.A O no hydrogen 3.256 N/A LEU 151.A N LEU 146.A O no hydrogen 3.007 N/A ILE 152.A N LYS 178.A O no hydrogen 2.875 N/A TYR 153.A N ASP 208.A OD1 no hydrogen 2.926 N/A TYR 153.A OH THR 172.A O no hydrogen 2.644 N/A TYR 153.A OH ASP 173.A O no hydrogen 3.365 N/A ARG 154.A NE PHE 176.A O no hydrogen 2.752 N/A ARG 154.A NH1 TYR 203.A OH no hydrogen 2.922 N/A ARG 154.A NH2 PHE 176.A O no hydrogen 2.958 N/A LYS 157.A NZ THR 189.A OG1 no hydrogen 2.983 N/A GLU 159.A N GLU 159.A OE2 no hydrogen 2.901 N/A ASN 160.A N LYS 157.A O no hydrogen 2.961 N/A LEU 161.A N PRO 158.A O no hydrogen 3.352 N/A LEU 162.A N GLN 170.A O no hydrogen 2.929 N/A ILE 163.A N GLY 115.A O no hydrogen 2.838 N/A ASP 164.A N TYR 168.A O no hydrogen 2.889 N/A GLN 166.A N ASP 164.A OD1 no hydrogen 3.043 N/A GLY 167.A N ASP 164.A O no hydrogen 3.000 N/A TYR 168.A N ASP 164.A OD1 no hydrogen 2.978 N/A TYR 168.A OH VAL 298.A O no hydrogen 2.648 N/A GLN 170.A N LEU 162.A O no hydrogen 2.902 N/A VAL 171.A N PHE 91.A O no hydrogen 2.745 N/A THR 172.A N ASN 160.A O no hydrogen 3.088 N/A ASP 173.A N THR 172.A OG1 no hydrogen 2.843 N/A ALA 177.A N PHE 174.A O no hydrogen 2.996 N/A LYS 178.A N ILE 152.A O no hydrogen 3.036 N/A ARG 179.A NE LEU 149.A O no hydrogen 2.800 N/A VAL 180.A N ASP 150.A O no hydrogen 2.700 N/A THR 184.A N TYR 203.A O no hydrogen 2.887 N/A THR 189.A OG1 ASP 155.A OD2 no hydrogen 2.723 N/A TYR 192.A N THR 189.A O no hydrogen 2.956 N/A TYR 192.A OH GLU 218.A OE1 no hydrogen 2.750 N/A GLU 196.A N GLU 196.A OE2 no hydrogen 2.967 N/A ILE 198.A N ALA 194.A O no hydrogen 3.376 N/A LEU 199.A N PRO 195.A O no hydrogen 2.868 N/A SER 200.A N ILE 197.A O no hydrogen 3.070 N/A LYS 201.A N GLU 196.A O no hydrogen 2.828 N/A TYR 203.A N THR 184.A O no hydrogen 2.957 N/A LYS 205.A NZ GLY 270.A O no hydrogen 3.130 N/A ALA 206.A N ASN 204.A OD1 no hydrogen 3.289 N/A VAL 207.A N ASN 204.A O no hydrogen 3.192 N/A ASP 208.A N LYS 205.A O no hydrogen 2.987 N/A TRP 210.A N ALA 206.A O no hydrogen 3.031 N/A ALA 211.A N VAL 207.A O no hydrogen 3.143 N/A LEU 212.A N ASP 208.A O no hydrogen 2.961 N/A GLY 213.A N TRP 209.A O no hydrogen 3.311 N/A VAL 214.A N TRP 210.A O no hydrogen 3.143 N/A LEU 215.A N ALA 211.A O no hydrogen 2.844 N/A ILE 216.A N LEU 212.A O no hydrogen 2.831 N/A TYR 217.A N GLY 213.A O no hydrogen 2.870 N/A TYR 217.A OH ARG 244.A O no hydrogen 2.660 N/A GLU 218.A N VAL 214.A O no hydrogen 2.897 N/A MET 219.A N LEU 215.A O no hydrogen 2.843 N/A ALA 220.A N ILE 216.A O no hydrogen 3.036 N/A ALA 221.A N TYR 217.A O no hydrogen 2.806 N/A GLY 222.A N GLU 218.A O no hydrogen 2.800 N/A GLN 233.A N GLN 230.A O no hydrogen 2.987 N/A ILE 234.A N GLN 230.A O no hydrogen 3.364 N/A ILE 234.A N PRO 231.A O no hydrogen 3.136 N/A TYR 235.A N PRO 231.A O no hydrogen 3.018 N/A GLU 236.A N ILE 232.A O no hydrogen 3.324 N/A LYS 237.A NZ PHE 227.A O no hydrogen 2.699 N/A ILE 238.A N ILE 234.A O no hydrogen 3.069 N/A VAL 239.A N TYR 235.A O no hydrogen 2.958 N/A SER 240.A N GLU 236.A O no hydrogen 3.045 N/A SER 240.A OG LYS 237.A O no hydrogen 2.703 N/A PHE 249.A N PRO 246.A O no hydrogen 3.258 N/A SER 250.A N GLU 129.A OE1 no hydrogen 2.922 N/A SER 250.A OG GLU 129.A OE2 no hydrogen 2.791 N/A LEU 253.A N SER 250.A OG no hydrogen 3.082 N/A LYS 254.A N SER 250.A O no hydrogen 3.025 N/A LYS 254.A NZ PRO 246.A O no hydrogen 3.443 N/A LYS 254.A NZ PHE 249.A O no hydrogen 2.853 N/A ASP 255.A N SER 251.A O no hydrogen 3.061 N/A LEU 256.A N ASP 252.A O no hydrogen 3.077 N/A LEU 257.A N LEU 253.A O no hydrogen 2.949 N/A ARG 258.A N LYS 254.A O no hydrogen 3.138 N/A ASN 259.A N ASP 255.A O no hydrogen 3.403 N/A ASN 259.A ND2 ASP 255.A O no hydrogen 3.028 N/A LEU 260.A N LEU 256.A O no hydrogen 3.021 N/A LEU 261.A N LEU 257.A O no hydrogen 2.699 N/A THR 266.A N ASP 264.A OD2 no hydrogen 3.191 N/A THR 266.A OG1 ASP 264.A OD2 no hydrogen 2.743 N/A LYS 267.A N ASP 264.A O no hydrogen 3.060 N/A ARG 268.A NE GLN 262.A O no hydrogen 2.889 N/A ARG 268.A NH1 GLU 196.A OE1 no hydrogen 2.963 N/A ARG 268.A NH1 GLU 196.A OE2 no hydrogen 3.514 N/A ARG 268.A NH1 ALA 206.A O no hydrogen 3.007 N/A ARG 268.A NH2 GLU 196.A OE2 no hydrogen 2.901 N/A ARG 268.A NH2 GLN 262.A O no hydrogen 2.995 N/A ARG 268.A NH2 VAL 263.A O no hydrogen 3.521 N/A PHE 269.A N ASN 259.A O no hydrogen 2.940 N/A ASN 271.A N ARG 268.A O no hydrogen 3.086 N/A ASN 274.A ND2 ASP 278.A OD1 no hydrogen 3.096 N/A GLY 275.A N LEU 272.A O no hydrogen 3.147 N/A ASP 278.A N GLY 275.A O no hydrogen 3.226 N/A ILE 279.A N VAL 276.A O no hydrogen 3.085 N/A LYS 280.A N VAL 276.A O no hydrogen 2.999 N/A LYS 280.A NZ GLU 144.A OE1 no hydrogen 3.374 N/A LYS 280.A NZ GLU 144.A OE2 no hydrogen 3.277 N/A ASN 281.A N ASN 277.A O no hydrogen 2.939 N/A HIS 282.A N ILE 279.A O no hydrogen 3.112 N/A HIS 282.A NE2 ASP 252.A O no hydrogen 3.199 N/A TRP 284.A NE1 GLU 129.A OE2 no hydrogen 3.000 N/A PHE 285.A N HIS 282.A O no hydrogen 2.926 N/A ALA 286.A N LYS 283.A O no hydrogen 3.371 N/A THR 288.A N PHE 285.A O no hydrogen 2.970 N/A THR 288.A OG1 PHE 285.A O no hydrogen 3.425 N/A ILE 293.A N ASP 289.A O no hydrogen 3.079 N/A TYR 294.A N TRP 290.A O no hydrogen 3.152 N/A GLN 295.A N ILE 291.A O no hydrogen 2.917 N/A ARG 296.A N ILE 293.A O no hydrogen 3.171 N/A ARG 296.A NH1 ASP 164.A OD2 no hydrogen 3.039 N/A ARG 296.A NH2 ASP 164.A OD2 no hydrogen 3.198 N/A LYS 297.A N ALA 292.A O no hydrogen 2.777 N/A LYS 307.A N ASP 311.A OD2 no hydrogen 2.941 N/A ASP 311.A N GLY 308.A O no hydrogen 3.107 N/A SER 313.A OG ASP 311.A OD1 no hydrogen 2.846 N/A SER 313.A OG ASP 311.A OD2 no hydrogen 3.275 N/A PHE 315.A N THR 312.A O no hydrogen 3.111 N/A LYS 329.A N ASN 102.A O no hydrogen 2.839 N/A CYS 330.A SG GLU 333.A OE1 no hydrogen 3.639 N/A GLU 333.A N GLU 333.A OE2 no hydrogen 2.773 N/A PHE 334.A N CYS 330.A O no hydrogen 3.401 N/A THR 335.A N LYS 332.A O no hydrogen 3.410 N/A PHE 337.A N PHE 334.A O no hydrogen 3.230 N/A