Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 86.A O no hydrogen 2.979 N/A PHE 5.A N PHE 88.A O no hydrogen 3.092 N/A GLU 9.A N SER 6.A OG no hydrogen 3.048 N/A LEU 10.A N SER 6.A O no hydrogen 3.311 N/A LEU 10.A N PHE 7.A O no hydrogen 3.146 N/A LYS 11.A N PHE 7.A O no hydrogen 2.854 N/A ASN 12.A N TYR 8.A O no hydrogen 3.064 N/A VAL 13.A N GLU 9.A O no hydrogen 3.109 N/A THR 14.A N LEU 10.A O no hydrogen 3.199 N/A THR 14.A OG1 LEU 10.A O no hydrogen 2.572 N/A THR 14.A OG1 LYS 11.A O no hydrogen 3.419 N/A ASN 15.A N ASN 12.A O no hydrogen 3.404 N/A ASN 16.A N LYS 11.A O no hydrogen 2.804 N/A ASP 18.A N THR 14.A O no hydrogen 3.039 N/A ARG 20.A N ASP 18.A OD1 no hydrogen 3.371 N/A GLY 25.A N ILE 22.A O no hydrogen 2.813 N/A GLY 26.A N PRO 21.A O no hydrogen 2.891 N/A ASN 27.A N ASP 18.A O no hydrogen 2.875 N/A LYS 28.A N ARG 20.A O no hydrogen 2.997 N/A LYS 28.A NZ GLU 19.A OE1 no hydrogen 3.320 N/A LYS 28.A NZ GLU 31.A OE2 no hydrogen 2.766 N/A MET 29.A N VAL 37.A O no hydrogen 2.674 N/A GLY 30.A N VAL 37.A O no hydrogen 3.363 N/A GLY 32.A N GLY 35.A O no hydrogen 3.358 N/A VAL 36.A N LYS 51.A O no hydrogen 3.030 N/A VAL 37.A N GLY 30.A O no hydrogen 2.750 N/A TYR 38.A N VAL 49.A O no hydrogen 2.703 N/A TYR 38.A OH GLU 19.A OE1 no hydrogen 2.482 N/A TYR 38.A OH GLU 19.A OE2 no hydrogen 2.676 N/A LYS 39.A N ASN 27.A O no hydrogen 2.762 N/A GLY 40.A N VAL 47.A O no hydrogen 2.677 N/A VAL 42.A N THR 45.A O no hydrogen 2.837 N/A THR 45.A OG1 ASN 43.A O no hydrogen 2.634 N/A VAL 47.A N GLY 40.A O no hydrogen 2.621 N/A ALA 48.A N TYR 99.A O no hydrogen 3.108 N/A VAL 49.A N TYR 38.A O no hydrogen 2.823 N/A LYS 50.A N LEU 97.A O no hydrogen 2.843 N/A LYS 51.A N VAL 36.A O no hydrogen 2.944 N/A LEU 52.A N LEU 95.A O no hydrogen 3.005 N/A ALA 53.A N PHE 34.A O no hydrogen 2.906 N/A ILE 58.A N MET 55.A O no hydrogen 2.985 N/A LEU 63.A N THR 59.A O no hydrogen 3.314 N/A GLN 66.A N GLU 62.A O no hydrogen 3.331 N/A PHE 67.A N LEU 63.A O no hydrogen 3.328 N/A ASP 68.A N LYS 64.A O no hydrogen 2.930 N/A GLN 69.A N GLN 65.A O no hydrogen 3.040 N/A GLU 70.A N GLN 66.A O no hydrogen 2.985 N/A ILE 71.A N PHE 67.A O no hydrogen 3.241 N/A LYS 72.A N ASP 68.A O no hydrogen 2.739 N/A VAL 73.A N GLN 69.A O no hydrogen 3.030 N/A MET 74.A N GLU 70.A O no hydrogen 2.835 N/A ALA 75.A N ILE 71.A O no hydrogen 2.969 N/A CYS 77.A N VAL 73.A O no hydrogen 2.902 N/A CYS 77.A SG HIS 144.A ND1 no hydrogen 3.620 N/A ASN 81.A N HIS 79.A ND1 no hydrogen 3.030 N/A ASN 81.A ND2 ALA 162.A O no hydrogen 3.157 N/A LEU 82.A N HIS 79.A O no hydrogen 3.286 N/A VAL 83.A N ILE 164.A O no hydrogen 3.011 N/A LEU 86.A N VAL 98.A O no hydrogen 2.609 N/A GLY 87.A N VAL 98.A O no hydrogen 3.250 N/A PHE 88.A N HIS 3.A O no hydrogen 3.198 N/A SER 89.A N CYS 96.A O no hydrogen 2.863 N/A SER 89.A OG PHE 5.A O no hydrogen 2.764 N/A CYS 96.A N SER 89.A O no hydrogen 2.890 N/A LEU 97.A N LYS 50.A O no hydrogen 2.957 N/A VAL 98.A N GLY 87.A O no hydrogen 2.764 N/A TYR 99.A N ALA 48.A O no hydrogen 2.855 N/A TYR 99.A OH GLU 70.A OE2 no hydrogen 2.835 N/A VAL 100.A N GLU 84.A O no hydrogen 3.106 N/A ASN 104.A N LEU 156.A O no hydrogen 3.182 N/A ASN 104.A ND2 ASP 157.A O no hydrogen 2.862 N/A GLY 105.A N MET 102.A O no hydrogen 3.438 N/A LEU 107.A N ILE 154.A O no hydrogen 2.828 N/A ASP 109.A N SER 106.A OG no hydrogen 3.195 N/A ARG 110.A N SER 106.A O no hydrogen 2.936 N/A ARG 110.A NE ASN 104.A O no hydrogen 3.190 N/A LEU 111.A N LEU 107.A O no hydrogen 2.743 N/A SER 112.A N LEU 108.A O no hydrogen 3.053 N/A SER 112.A OG LEU 108.A O no hydrogen 3.449 N/A SER 112.A OG ASP 109.A O no hydrogen 3.149 N/A CYS 113.A N ARG 110.A O no hydrogen 3.324 N/A CYS 113.A SG ARG 110.A O no hydrogen 3.879 N/A LEU 114.A N ASP 109.A O no hydrogen 3.090 N/A GLY 116.A N CYS 113.A O no hydrogen 2.969 N/A TRP 122.A N ASP 255.A OD1 no hydrogen 3.073 N/A TRP 122.A NE1 SER 260.A OG no hydrogen 2.731 N/A HIS 123.A N ASP 255.A OD2 no hydrogen 3.051 N/A MET 124.A N SER 121.A OG no hydrogen 3.117 N/A ARG 125.A N SER 121.A O no hydrogen 2.904 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.803 N/A ARG 125.A NH1 ILE 215.A O no hydrogen 2.861 N/A ARG 125.A NH1 ASP 250.A OD1 no hydrogen 3.255 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 2.658 N/A ARG 125.A NH2 ASP 250.A OD1 no hydrogen 3.393 N/A CYS 126.A N TRP 122.A O no hydrogen 3.017 N/A CYS 126.A SG TRP 122.A O no hydrogen 3.390 N/A LYS 127.A N HIS 123.A O no hydrogen 3.418 N/A LYS 127.A NZ ALA 159.A O no hydrogen 3.233 N/A LYS 127.A NZ THR 161.A OG1 no hydrogen 2.696 N/A ILE 128.A N MET 124.A O no hydrogen 2.963 N/A ALA 129.A N ARG 125.A O no hydrogen 2.911 N/A GLN 130.A N CYS 126.A O no hydrogen 3.090 N/A GLY 131.A N LYS 127.A O no hydrogen 2.759 N/A ALA 132.A N ILE 128.A O no hydrogen 2.877 N/A ALA 133.A N ALA 129.A O no hydrogen 3.134 N/A ASN 134.A N GLN 130.A O no hydrogen 2.894 N/A GLY 135.A N GLY 131.A O no hydrogen 2.982 N/A ILE 136.A N ALA 132.A O no hydrogen 3.070 N/A ASN 137.A N ALA 133.A O no hydrogen 2.926 N/A ASN 137.A ND2 GLU 141.A OE2 no hydrogen 2.951 N/A PHE 138.A N ASN 134.A O no hydrogen 3.181 N/A LEU 139.A N GLY 135.A O no hydrogen 3.024 N/A HIS 140.A N ILE 136.A O no hydrogen 2.993 N/A HIS 140.A ND1 HIS 144.A O no hydrogen 3.049 N/A GLU 141.A N ASN 137.A O no hydrogen 2.840 N/A ASN 142.A N PHE 138.A O no hydrogen 2.939 N/A HIS 143.A N HIS 140.A O no hydrogen 2.997 N/A HIS 144.A N LEU 139.A O no hydrogen 2.863 N/A ILE 145.A N ARG 171.A O no hydrogen 2.729 N/A HIS 146.A N ASP 204.A OD2 no hydrogen 2.825 N/A HIS 146.A NE2 SER 165.A O no hydrogen 2.835 N/A ARG 147.A N ASP 204.A OD1 no hydrogen 3.012 N/A ARG 147.A NE LEU 169.A O no hydrogen 2.871 N/A ARG 147.A NH2 LEU 169.A O no hydrogen 2.953 N/A ASP 148.A N HIS 146.A ND1 no hydrogen 3.107 N/A LYS 150.A NZ THR 186.A OG1 no hydrogen 2.915 N/A SER 151.A OG GLU 214.A OE1 no hydrogen 3.240 N/A SER 151.A OG GLU 214.A OE2 no hydrogen 3.302 N/A ASN 153.A N LYS 150.A O no hydrogen 3.025 N/A ASN 153.A ND2 ASP 148.A O no hydrogen 2.926 N/A ILE 154.A N SER 151.A O no hydrogen 3.180 N/A LEU 155.A N LYS 163.A O no hydrogen 2.665 N/A LEU 156.A N GLY 105.A O no hydrogen 2.965 N/A ASP 157.A N THR 161.A O no hydrogen 3.049 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.686 N/A ALA 159.A N ASP 157.A OD2 no hydrogen 2.722 N/A PHE 160.A N ASP 157.A O no hydrogen 3.015 N/A THR 161.A N ASP 157.A OD2 no hydrogen 2.922 N/A THR 161.A OG1 ASP 157.A OD2 no hydrogen 3.389 N/A LYS 163.A N LEU 155.A O no hydrogen 2.765 N/A LYS 163.A NZ GLU 80.A O no hydrogen 3.078 N/A ILE 164.A N ASN 81.A O no hydrogen 3.045 N/A SER 165.A N ASN 153.A O no hydrogen 3.163 N/A PHE 167.A N GLU 70.A OE1 no hydrogen 3.011 N/A ALA 170.A N PHE 167.A O no hydrogen 3.143 N/A ARG 171.A N ILE 145.A O no hydrogen 2.889 N/A SER 173.A N HIS 143.A O no hydrogen 2.922 N/A THR 186.A OG1 ASP 148.A OD1 no hydrogen 2.812 N/A THR 186.A OG1 ASP 148.A OD2 no hydrogen 3.449 N/A TYR 189.A N THR 186.A O no hydrogen 2.870 N/A TYR 189.A OH GLU 214.A OE1 no hydrogen 3.346 N/A TYR 189.A OH GLU 214.A OE2 no hydrogen 2.568 N/A MET 190.A N THR 187.A O no hydrogen 3.062 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.847 N/A ALA 194.A N ALA 191.A O no hydrogen 3.168 N/A LEU 195.A N ALA 191.A O no hydrogen 3.060 N/A ARG 196.A N PRO 192.A O no hydrogen 3.061 N/A GLY 197.A N ALA 194.A O no hydrogen 3.248 N/A GLU 198.A N GLU 193.A O no hydrogen 2.769 N/A ILE 199.A N VAL 180.A O no hydrogen 2.711 N/A LYS 202.A N THR 200.A OG1 no hydrogen 3.177 N/A SER 203.A N THR 200.A O no hydrogen 3.098 N/A SER 203.A OG GLU 193.A OE2 no hydrogen 2.960 N/A TYR 206.A N LYS 202.A O no hydrogen 3.325 N/A SER 207.A N SER 203.A O no hydrogen 3.198 N/A SER 207.A OG TYR 189.A O no hydrogen 2.586 N/A SER 207.A OG SER 203.A O no hydrogen 3.297 N/A PHE 208.A N ASP 204.A O no hydrogen 2.895 N/A GLY 209.A N ILE 205.A O no hydrogen 2.991 N/A VAL 210.A N TYR 206.A O no hydrogen 3.163 N/A VAL 211.A N SER 207.A O no hydrogen 2.995 N/A LEU 212.A N PHE 208.A O no hydrogen 2.967 N/A LEU 213.A N GLY 209.A O no hydrogen 3.314 N/A GLU 214.A N VAL 210.A O no hydrogen 3.168 N/A ILE 215.A N VAL 211.A O no hydrogen 3.041 N/A ILE 216.A N LEU 212.A O no hydrogen 2.957 N/A THR 217.A N LEU 213.A O no hydrogen 2.895 N/A THR 217.A OG1 LEU 213.A O no hydrogen 2.688 N/A GLY 218.A N GLU 214.A O no hydrogen 2.563 N/A LEU 219.A N THR 217.A OG1 no hydrogen 3.115 N/A ALA 221.A N GLU 214.A OE2 no hydrogen 3.283 N/A ASP 223.A N GLN 229.A O no hydrogen 2.912 N/A HIS 225.A N ASP 223.A OD1 no hydrogen 2.971 N/A ARG 226.A N ASP 223.A O no hydrogen 3.130 N/A ARG 226.A NE PRO 228.A O no hydrogen 2.855 N/A ARG 226.A NH1 PRO 220.A O no hydrogen 2.812 N/A ARG 226.A NH2 PRO 220.A O no hydrogen 2.836 N/A ARG 226.A NH2 GLN 229.A O no hydrogen 2.841 N/A LEU 231.A N ALA 221.A O no hydrogen 2.555 N/A ASP 233.A N LEU 230.A O no hydrogen 3.186 N/A ILE 234.A N LEU 231.A O no hydrogen 2.789 N/A LYS 235.A N LEU 232.A O no hydrogen 3.096 N/A LYS 235.A NZ LEU 272.A O no hydrogen 2.835 N/A GLU 237.A N ASP 233.A O no hydrogen 3.421 N/A ILE 238.A N ILE 234.A O no hydrogen 2.926 N/A GLU 239.A N LYS 235.A O no hydrogen 2.696 N/A ASP 240.A N GLU 236.A O no hydrogen 2.539 N/A LYS 243.A NZ GLU 242.A OE1 no hydrogen 3.507 N/A THR 244.A N ASP 247.A OD2 no hydrogen 3.331 N/A THR 244.A OG1 ASP 247.A OD2 no hydrogen 2.719 N/A ASP 247.A N THR 244.A O no hydrogen 3.043 N/A ASP 247.A N THR 244.A OG1 no hydrogen 3.184 N/A TYR 248.A N ILE 245.A O no hydrogen 2.966 N/A TYR 248.A OH GLU 237.A OE2 no hydrogen 2.582 N/A ILE 249.A N ILE 245.A O no hydrogen 3.105 N/A ASP 250.A N ILE 216.A O no hydrogen 2.839 N/A LYS 252.A N ASP 250.A OD2 no hydrogen 2.967 N/A LYS 252.A NZ ASP 250.A OD1 no hydrogen 3.009 N/A LYS 252.A NZ ASP 250.A OD2 no hydrogen 2.537 N/A SER 260.A N ASP 257.A OD1 no hydrogen 3.135 N/A SER 260.A OG ASP 257.A O no hydrogen 3.416 N/A SER 260.A OG ASP 257.A OD2 no hydrogen 2.407 N/A VAL 261.A N ASP 257.A O no hydrogen 3.177 N/A GLU 262.A N SER 258.A O no hydrogen 2.901 N/A ALA 263.A N THR 259.A O no hydrogen 3.041 N/A MET 264.A N SER 260.A O no hydrogen 2.808 N/A TYR 265.A N VAL 261.A O no hydrogen 2.835 N/A SER 266.A N GLU 262.A O no hydrogen 2.818 N/A VAL 267.A N ALA 263.A O no hydrogen 3.311 N/A ALA 268.A N MET 264.A O no hydrogen 3.188 N/A SER 269.A N TYR 265.A O no hydrogen 2.944 N/A GLN 270.A N SER 266.A O no hydrogen 3.066 N/A GLN 270.A NE2 SER 266.A O no hydrogen 3.233 N/A CYS 271.A N VAL 267.A O no hydrogen 2.974 N/A CYS 271.A SG VAL 267.A O no hydrogen 3.371 N/A LEU 272.A N ALA 268.A O no hydrogen 3.079 N/A HIS 273.A N GLN 270.A O no hydrogen 3.442 N/A LYS 275.A N HIS 273.A ND1 no hydrogen 3.112 N/A LYS 278.A N LYS 275.A O no hydrogen 2.907 N/A ARG 279.A NE HIS 273.A O no hydrogen 2.867 N/A ARG 279.A NH1 GLU 193.A OE1 no hydrogen 3.511 N/A ARG 279.A NH1 GLU 193.A OE2 no hydrogen 2.492 N/A ARG 279.A NH1 LYS 202.A O no hydrogen 2.969 N/A ARG 279.A NH2 GLU 193.A OE1 no hydrogen 3.123 N/A ARG 279.A NH2 HIS 273.A O no hydrogen 2.955 N/A LYS 283.A NZ GLN 286.A OE1 no hydrogen 2.766 N/A LYS 284.A N ASP 281.A OD2 no hydrogen 2.945 N/A VAL 285.A N ASP 281.A O no hydrogen 3.130 N/A GLN 286.A N ILE 282.A O no hydrogen 2.892 N/A GLN 286.A NE2 ASN 134.A OD1 no hydrogen 2.742 N/A GLN 287.A N LYS 283.A O no hydrogen 3.219 N/A LEU 288.A N LYS 284.A O no hydrogen 3.064 N/A LEU 289.A N VAL 285.A O no hydrogen 2.983 N/A GLN 290.A N GLN 286.A O no hydrogen 3.147 N/A GLU 291.A N GLN 287.A O no hydrogen 2.933 N/A MET 292.A N LEU 288.A O no hydrogen 3.059 N/A THR 293.A N GLN 290.A O no hydrogen 3.336 N/A THR 293.A OG1 GLN 130.A OE1 no hydrogen 2.913 N/A