Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nu9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 197.A OD1 no hydrogen 2.619 N/A SER 1.A N ASP 197.A OD2 no hydrogen 2.881 N/A SER 1.A N GLN 199.A OE1 no hydrogen 2.922 N/A ILE 2.A N THR 173.A OG1 no hydrogen 3.030 N/A ILE 4.A N ILE 2.A O no hydrogen 2.582 N/A ASP 5.A N THR 8.A OG1 no hydrogen 3.140 N/A LYS 6.A N GLU 131.A OE1 no hydrogen 3.136 N/A ASN 7.A N ASP 5.A OD1 no hydrogen 2.567 N/A THR 8.A N ASP 5.A O no hydrogen 3.044 N/A THR 8.A OG1 ASP 5.A O no hydrogen 3.345 N/A VAL 10.A N LYS 33.A O no hydrogen 2.970 N/A ILE 11.A N ALA 67.A O no hydrogen 3.042 N/A CYS 12.A N GLY 36.A O no hydrogen 3.016 N/A CYS 12.A SG SER 24.A OG no hydrogen 3.724 N/A CYS 12.A SG VAL 69.A O no hydrogen 3.999 N/A GLN 13.A N VAL 69.A O no hydrogen 2.921 N/A GLN 13.A NE2 SER 80.A O no hydrogen 3.145 N/A GLY 14.A N VAL 38.A O no hydrogen 3.108 N/A THR 16.A OG1 THR 39.A OG1 no hydrogen 2.823 N/A GLY 17.A N GLY 14.A O no hydrogen 3.005 N/A THR 21.A N GLY 17.A O no hydrogen 2.919 N/A THR 21.A OG1 PHE 15.A O no hydrogen 3.306 N/A THR 21.A OG1 GLY 17.A O no hydrogen 2.897 N/A THR 21.A OG1 HIS 47.A NE2 no hydrogen 2.685 N/A PHE 22.A N SER 18.A O no hydrogen 3.115 N/A HIS 23.A N GLN 19.A O no hydrogen 3.030 N/A SER 24.A N GLY 20.A O no hydrogen 3.202 N/A SER 24.A OG GLY 20.A O no hydrogen 2.890 N/A GLU 25.A N THR 21.A O no hydrogen 3.026 N/A GLN 26.A N PHE 22.A O no hydrogen 3.199 N/A ALA 27.A N HIS 23.A O no hydrogen 2.966 N/A ILE 28.A N SER 24.A O no hydrogen 2.889 N/A ALA 29.A N GLU 25.A O no hydrogen 2.981 N/A TYR 30.A N GLN 26.A O no hydrogen 2.890 N/A GLY 31.A N ALA 27.A O no hydrogen 2.999 N/A GLY 31.A N ILE 28.A O no hydrogen 2.992 N/A THR 32.A N ALA 27.A O no hydrogen 2.905 N/A THR 32.A OG1 ALA 27.A O no hydrogen 3.363 N/A THR 32.A OG1 LYS 133.A O no hydrogen 2.645 N/A LYS 33.A NZ LYS 6.A O no hydrogen 3.133 N/A MET 34.A N THR 32.A O no hydrogen 2.950 N/A VAL 35.A N VAL 10.A O no hydrogen 2.897 N/A GLY 37.A N PRO 51.A O no hydrogen 3.056 N/A VAL 38.A N CYS 12.A O no hydrogen 2.705 N/A THR 39.A N PHE 53.A O no hydrogen 2.983 N/A THR 39.A OG1 THR 16.A OG1 no hydrogen 2.823 N/A GLY 41.A N ASN 54.A OD1 no hydrogen 2.668 N/A LYS 42.A N THR 39.A O no hydrogen 2.833 N/A GLY 43.A N ASN 54.A OD1 no hydrogen 2.880 N/A GLY 44.A N VAL 52.A O no hydrogen 3.044 N/A THR 45.A OG1 LYS 42.A O no hydrogen 2.663 N/A HIS 47.A N LEU 50.A O no hydrogen 2.693 N/A HIS 47.A NE2 THR 21.A OG1 no hydrogen 2.685 N/A LEU 50.A N HIS 47.A O no hydrogen 2.814 N/A VAL 52.A N THR 45.A O no hydrogen 2.882 N/A PHE 53.A N GLY 37.A O no hydrogen 2.850 N/A ASN 54.A N GLU 58.A OE1 no hydrogen 2.852 N/A THR 55.A N GLU 58.A OE1 no hydrogen 3.144 N/A VAL 56.A N GLU 83.A OE2 no hydrogen 2.772 N/A ARG 57.A NH2 ASP 86.A OD2 no hydrogen 2.690 N/A GLU 58.A N THR 55.A OG1 no hydrogen 3.182 N/A ALA 59.A N THR 55.A O no hydrogen 3.161 N/A VAL 60.A N VAL 56.A O no hydrogen 2.904 N/A ALA 61.A N ARG 57.A O no hydrogen 2.931 N/A ALA 62.A N GLU 58.A O no hydrogen 3.045 N/A THR 63.A N ALA 59.A O no hydrogen 2.872 N/A THR 63.A OG1 ALA 59.A O no hydrogen 2.920 N/A GLY 64.A N VAL 60.A O no hydrogen 2.753 N/A ALA 65.A N THR 63.A OG1 no hydrogen 3.251 N/A THR 66.A N LYS 9.A O no hydrogen 3.322 N/A ALA 67.A N LYS 9.A O no hydrogen 3.402 N/A SER 68.A N LEU 91.A O no hydrogen 2.891 N/A SER 68.A OG GLN 13.A OE1 no hydrogen 2.809 N/A VAL 69.A N ILE 11.A O no hydrogen 3.059 N/A ILE 70.A N ILE 93.A O no hydrogen 2.765 N/A TYR 71.A N GLN 13.A O no hydrogen 2.913 N/A PHE 76.A N PRO 73.A O no hydrogen 2.895 N/A CYS 77.A N ALA 74.A O no hydrogen 3.059 N/A CYS 77.A SG VAL 72.A O no hydrogen 2.988 N/A CYS 77.A SG PRO 73.A O no hydrogen 3.836 N/A CYS 77.A SG THR 96.A OG1 no hydrogen 3.506 N/A SER 80.A N PHE 76.A O no hydrogen 3.022 N/A SER 80.A OG PHE 76.A O no hydrogen 3.177 N/A SER 80.A OG CYS 77.A O no hydrogen 3.298 N/A ILE 81.A N CYS 77.A O no hydrogen 2.714 N/A LEU 82.A N LYS 78.A O no hydrogen 3.139 N/A GLU 83.A N ASP 79.A O no hydrogen 3.018 N/A ALA 84.A N SER 80.A O no hydrogen 3.131 N/A ILE 85.A N ILE 81.A O no hydrogen 2.999 N/A ASP 86.A N LEU 82.A O no hydrogen 3.179 N/A ALA 87.A N GLU 83.A O no hydrogen 2.899 N/A GLY 88.A N ALA 84.A O no hydrogen 3.274 N/A GLY 88.A N ILE 85.A O no hydrogen 3.423 N/A ILE 89.A N ALA 84.A O no hydrogen 3.242 N/A LYS 90.A N THR 66.A O no hydrogen 3.009 N/A LEU 91.A N THR 66.A O no hydrogen 3.186 N/A ILE 92.A N ARG 117.A O no hydrogen 2.750 N/A ILE 93.A N SER 68.A O no hydrogen 2.865 N/A THR 94.A N ILE 119.A O no hydrogen 3.071 N/A ILE 95.A N ILE 70.A O no hydrogen 3.112 N/A THR 96.A OG1 VAL 72.A O no hydrogen 2.609 N/A ASP 103.A N PRO 100.A O no hydrogen 2.959 N/A MET 104.A N PRO 100.A O no hydrogen 3.272 N/A LEU 105.A N THR 101.A O no hydrogen 2.995 N/A THR 106.A N LEU 102.A O no hydrogen 3.472 N/A VAL 107.A N ASP 103.A O no hydrogen 3.007 N/A LYS 108.A N MET 104.A O no hydrogen 2.658 N/A LYS 108.A NZ ASP 112.A OD1 no hydrogen 3.090 N/A LYS 108.A NZ GLY 184.A O no hydrogen 2.748 N/A VAL 109.A N LEU 105.A O no hydrogen 3.381 N/A LYS 110.A N THR 106.A O no hydrogen 3.052 N/A LYS 110.A NZ GLU 113.A OE2 no hydrogen 3.035 N/A LEU 111.A N VAL 107.A O no hydrogen 2.785 N/A ASP 112.A N LYS 108.A O no hydrogen 3.083 N/A GLU 113.A N VAL 109.A O no hydrogen 2.904 N/A ALA 114.A N LYS 110.A O no hydrogen 2.720 N/A GLY 115.A N ASP 112.A O no hydrogen 2.997 N/A VAL 116.A N LEU 111.A O no hydrogen 3.094 N/A ARG 117.A N LYS 90.A O no hydrogen 3.038 N/A ARG 117.A NE SER 185.A OG no hydrogen 2.998 N/A ILE 119.A N ILE 92.A O no hydrogen 2.825 N/A ASN 122.A N THR 96.A O no hydrogen 2.781 N/A ASN 122.A ND2 ASP 180.A OD1 no hydrogen 2.892 N/A THR 123.A OG1 GLY 176.A O no hydrogen 2.551 N/A GLY 125.A N THR 123.A OG1 no hydrogen 2.957 N/A VAL 126.A N ILE 134.A O no hydrogen 2.838 N/A ILE 127.A N CYS 174.A O no hydrogen 3.077 N/A THR 128.A N CYS 132.A O no hydrogen 2.815 N/A THR 128.A OG1 ILE 4.A O no hydrogen 2.803 N/A THR 128.A OG1 THR 173.A OG1 no hydrogen 3.055 N/A GLY 130.A N TYR 30.A OH no hydrogen 2.983 N/A GLU 131.A N THR 128.A O no hydrogen 2.720 N/A CYS 132.A N THR 128.A O no hydrogen 3.059 N/A LYS 133.A N THR 32.A OG1 no hydrogen 2.961 N/A LYS 133.A NZ GLY 135.A O no hydrogen 3.461 N/A LYS 133.A NZ GLN 137.A O no hydrogen 2.868 N/A LYS 133.A NZ GLN 137.A OE1 no hydrogen 3.245 N/A ILE 134.A N VAL 126.A O no hydrogen 2.977 N/A ILE 136.A N PRO 124.A O no hydrogen 2.770 N/A GLN 137.A N GLN 137.A OE1 no hydrogen 2.530 N/A GLN 137.A NE2 ILE 134.A O no hydrogen 3.505 N/A HIS 142.A N GLY 139.A O no hydrogen 3.042 N/A LYS 143.A N GLN 171.A OE1 no hydrogen 2.787 N/A LYS 143.A NZ PRO 144.A O no hydrogen 3.545 N/A LYS 143.A NZ GLY 168.A O no hydrogen 3.415 N/A GLY 145.A N GLN 171.A O no hydrogen 2.842 N/A LYS 146.A N PHE 169.A O no hydrogen 2.933 N/A VAL 147.A N GLY 170.A O no hydrogen 3.116 N/A GLY 148.A N ALA 202.A O no hydrogen 2.936 N/A ILE 149.A N THR 173.A O no hydrogen 3.136 N/A VAL 150.A N VAL 204.A O no hydrogen 2.960 N/A SER 151.A N VAL 175.A O no hydrogen 3.130 N/A SER 151.A OG SER 153.A O no hydrogen 3.215 N/A SER 151.A OG THR 157.A OG1 no hydrogen 2.802 N/A ARG 152.A N ILE 206.A O no hydrogen 3.063 N/A ARG 152.A NH1 ILE 209.A O no hydrogen 3.148 N/A ARG 152.A NH1 GLY 210.A O no hydrogen 3.063 N/A ARG 152.A NH1 GLU 214.A OE2 no hydrogen 3.025 N/A ARG 152.A NH2 ILE 209.A O no hydrogen 3.243 N/A ARG 152.A NH2 GLY 247.A O no hydrogen 3.346 N/A SER 153.A N SER 151.A OG no hydrogen 2.893 N/A SER 153.A OG SER 151.A OG no hydrogen 3.229 N/A THR 157.A N GLY 154.A O no hydrogen 2.737 N/A THR 157.A OG1 SER 151.A OG no hydrogen 2.802 N/A THR 157.A OG1 SER 153.A O no hydrogen 2.853 N/A GLU 159.A N LEU 156.A O no hydrogen 3.243 N/A VAL 161.A N THR 157.A O no hydrogen 3.035 N/A LYS 162.A N TYR 158.A O no hydrogen 2.784 N/A LYS 162.A NZ ASP 166.A OD2 no hydrogen 2.964 N/A GLN 163.A N GLU 159.A O no hydrogen 2.994 N/A GLN 163.A NE2 LEU 275.A O no hydrogen 2.914 N/A THR 164.A N ALA 160.A O no hydrogen 2.860 N/A THR 164.A OG1 ALA 160.A O no hydrogen 2.923 N/A THR 164.A OG1 VAL 161.A O no hydrogen 2.987 N/A THR 165.A N VAL 161.A O no hydrogen 2.890 N/A THR 165.A OG1 ILE 141.A O no hydrogen 2.897 N/A THR 165.A OG1 VAL 161.A O no hydrogen 3.220 N/A ASP 166.A N LYS 162.A O no hydrogen 2.723 N/A TYR 167.A N GLN 163.A O no hydrogen 2.880 N/A TYR 167.A OH GLU 280.A OE1 no hydrogen 2.774 N/A GLY 168.A N THR 165.A O no hydrogen 3.037 N/A GLY 170.A N THR 164.A O no hydrogen 2.858 N/A GLN 171.A N LYS 143.A O no hydrogen 2.661 N/A GLN 171.A NE2 THR 164.A OG1 no hydrogen 3.003 N/A GLN 171.A NE2 THR 165.A OG1 no hydrogen 2.732 N/A SER 172.A N VAL 147.A O no hydrogen 2.780 N/A SER 172.A OG THR 200.A OG1 no hydrogen 2.665 N/A THR 173.A OG1 THR 128.A OG1 no hydrogen 3.055 N/A CYS 174.A N ILE 127.A O no hydrogen 2.765 N/A VAL 175.A N ILE 149.A O no hydrogen 2.837 N/A GLY 176.A N GLY 125.A O no hydrogen 3.262 N/A ILE 177.A N SER 151.A O no hydrogen 2.889 N/A GLY 179.A N ASN 122.A O no hydrogen 3.115 N/A GLY 184.A N GLY 120.A O no hydrogen 2.605 N/A SER 185.A OG MET 118.A O no hydrogen 2.784 N/A ASN 186.A N ASP 189.A OD2 no hydrogen 2.893 N/A ASP 189.A N ASN 186.A OD1 no hydrogen 3.172 N/A ILE 190.A N ASN 186.A O no hydrogen 3.334 N/A LEU 191.A N PHE 187.A O no hydrogen 2.767 N/A GLU 192.A N ILE 188.A O no hydrogen 3.080 N/A PHE 194.A N ILE 190.A O no hydrogen 3.052 N/A GLU 195.A N LEU 191.A O no hydrogen 3.026 N/A LYS 196.A N GLU 192.A O no hydrogen 3.385 N/A LYS 196.A NZ GLU 192.A OE2 no hydrogen 3.380 N/A ASP 197.A N PHE 194.A O no hydrogen 3.137 N/A GLN 199.A NE2 GLY 145.A O no hydrogen 2.965 N/A THR 200.A N ASP 197.A O no hydrogen 3.000 N/A THR 200.A OG1 SER 172.A OG no hydrogen 2.665 N/A THR 200.A OG1 ASP 197.A OD2 no hydrogen 2.498 N/A GLU 201.A N LYS 146.A O no hydrogen 2.777 N/A ALA 202.A N LYS 146.A O no hydrogen 3.434 N/A ILE 203.A N PRO 228.A O no hydrogen 2.988 N/A VAL 204.A N GLY 148.A O no hydrogen 2.826 N/A MET 205.A N VAL 230.A O no hydrogen 2.918 N/A ILE 206.A N VAL 150.A O no hydrogen 2.785 N/A GLY 207.A N TYR 232.A O no hydrogen 2.936 N/A GLU 208.A N GLU 214.A OE2 no hydrogen 3.246 N/A ILE 209.A N ALA 234.A O no hydrogen 3.236 N/A GLY 210.A N GLY 255.A O no hydrogen 2.956 N/A SER 212.A OG GLU 216.A OE2 no hydrogen 2.963 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.637 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.750 N/A GLU 216.A N SER 212.A O no hydrogen 3.048 N/A ALA 217.A N ALA 213.A O no hydrogen 2.931 N/A ALA 218.A N GLU 214.A O no hydrogen 2.834 N/A ALA 219.A N GLU 215.A O no hydrogen 3.319 N/A TYR 220.A N GLU 216.A O no hydrogen 3.184 N/A ILE 221.A N ALA 217.A O no hydrogen 2.609 N/A LYS 222.A N ALA 218.A O no hydrogen 2.945 N/A LYS 222.A NZ ALA 266.A O no hydrogen 3.552 N/A GLU 223.A N ALA 219.A O no hydrogen 3.109 N/A HIS 224.A N TYR 220.A O no hydrogen 2.660 N/A VAL 225.A N ILE 221.A O no hydrogen 2.906 N/A THR 226.A N GLU 195.A OE1 no hydrogen 2.592 N/A THR 226.A OG1 GLU 195.A OE2 no hydrogen 2.856 N/A LYS 227.A NZ PHE 194.A O no hydrogen 3.047 N/A LYS 227.A NZ GLU 195.A O no hydrogen 3.171 N/A LYS 227.A NZ THR 200.A O no hydrogen 2.616 N/A VAL 230.A N ILE 203.A O no hydrogen 2.847 N/A GLY 231.A N LYS 270.A O no hydrogen 2.786 N/A TYR 232.A N MET 205.A O no hydrogen 2.909 N/A ALA 234.A N GLY 207.A O no hydrogen 3.102 N/A ALA 238.A N GLY 235.A O no hydrogen 3.243 N/A GLY 241.A N ILE 250.A O no hydrogen 2.731 N/A MET 244.A N ALA 248.A O no hydrogen 2.901 N/A GLY 247.A N GLY 179.A O no hydrogen 2.827 N/A ILE 249.A N GLY 247.A O no hydrogen 2.848 N/A LYS 254.A N ALA 251.A O no hydrogen 3.051 N/A GLY 255.A N GLU 259.A OE2 no hydrogen 3.154 N/A THR 256.A OG1 GLU 259.A OE1 no hydrogen 3.246 N/A GLU 259.A N THR 256.A OG1 no hydrogen 3.319 N/A LYS 260.A N THR 256.A O no hydrogen 3.237 N/A LYS 260.A NZ GLY 210.A O no hydrogen 3.140 N/A LYS 260.A NZ GLY 211.A O no hydrogen 2.960 N/A LYS 260.A NZ GLU 214.A OE1 no hydrogen 2.907 N/A LYS 260.A NZ GLU 215.A OE1 no hydrogen 3.042 N/A PHE 261.A N ALA 257.A O no hydrogen 3.032 N/A ALA 262.A N ASP 258.A O no hydrogen 2.883 N/A ALA 263.A N GLU 259.A O no hydrogen 3.088 N/A LEU 264.A N LYS 260.A O no hydrogen 2.952 N/A GLU 265.A N PHE 261.A O no hydrogen 2.886 N/A ALA 266.A N ALA 262.A O no hydrogen 2.932 N/A ALA 267.A N LEU 264.A O no hydrogen 3.299 N/A GLY 268.A N GLU 265.A O no hydrogen 2.753 N/A VAL 269.A N LEU 264.A O no hydrogen 2.989 N/A LYS 270.A N VAL 229.A O no hydrogen 3.024 N/A THR 271.A OG1 GLU 265.A OE2 no hydrogen 2.666 N/A VAL 272.A N GLY 231.A O no hydrogen 3.024 N/A ARG 273.A NH2 ASP 258.A OD1 no hydrogen 2.827 N/A ALA 276.A N SER 274.A OG no hydrogen 3.387 N/A ASP 277.A N SER 274.A O no hydrogen 2.723 N/A GLY 279.A N GLN 163.A OE1 no hydrogen 2.692 N/A ALA 281.A N ASP 277.A O no hydrogen 3.096 N/A LEU 282.A N ILE 278.A O no hydrogen 3.062 N/A LYS 283.A N GLY 279.A O no hydrogen 3.116 N/A LYS 283.A NZ GLU 280.A OE1 no hydrogen 3.471 N/A THR 284.A N GLU 280.A O no hydrogen 3.122 N/A THR 284.A OG1 GLU 280.A O no hydrogen 3.333 N/A VAL 285.A N LEU 282.A O no hydrogen 2.680 N/A