Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nax_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ THR 73.A O no hydrogen 3.008 N/A LYS 2.A NZ GLU 26.A OE2 no hydrogen 2.833 N/A ARG 3.A N ASP 6.A OD2 no hydrogen 2.946 N/A ARG 3.A NE GLU 5.A OE1 no hydrogen 2.699 N/A ARG 3.A NH2 GLU 5.A OE1 no hydrogen 3.345 N/A ARG 3.A NH2 GLU 5.A OE2 no hydrogen 2.989 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.782 N/A ASP 6.A N ARG 3.A O no hydrogen 2.977 N/A PHE 7.A N PRO 4.A O no hydrogen 3.139 N/A LYS 8.A N ARG 25.A O no hydrogen 2.908 N/A GLY 10.A N LEU 23.A O no hydrogen 2.631 N/A LEU 13.A N VAL 21.A O no hydrogen 2.670 N/A GLY 14.A N VAL 21.A O no hydrogen 3.325 N/A GLY 16.A N SER 19.A O no hydrogen 2.962 N/A SER 19.A N GLY 16.A O no hydrogen 3.087 N/A SER 19.A OG SER 17.A O no hydrogen 3.053 N/A THR 20.A N ILE 37.A O no hydrogen 3.048 N/A VAL 21.A N GLY 14.A O no hydrogen 2.756 N/A VAL 22.A N ILE 35.A O no hydrogen 2.839 N/A LEU 23.A N LYS 11.A O no hydrogen 2.881 N/A ALA 24.A N TYR 33.A O no hydrogen 2.889 N/A ARG 25.A N LYS 8.A O no hydrogen 2.840 N/A ARG 25.A NH1 SER 30.A O no hydrogen 2.844 N/A GLU 26.A N ARG 31.A O no hydrogen 2.773 N/A LEU 27.A N ASP 6.A O no hydrogen 2.868 N/A THR 29.A N GLU 26.A O no hydrogen 3.338 N/A THR 29.A OG1 GLU 26.A OE1 no hydrogen 2.658 N/A SER 30.A N GLU 26.A O no hydrogen 2.808 N/A ARG 31.A N THR 29.A OG1 no hydrogen 3.058 N/A ARG 31.A NE TYR 33.A OH no hydrogen 3.542 N/A TYR 33.A N ALA 24.A O no hydrogen 2.884 N/A ALA 34.A N LEU 84.A O no hydrogen 2.847 N/A ILE 35.A N VAL 22.A O no hydrogen 2.824 N/A LYS 36.A N PHE 82.A O no hydrogen 2.802 N/A ILE 37.A N THR 20.A O no hydrogen 2.775 N/A LEU 38.A N LEU 80.A O no hydrogen 2.932 N/A LYS 40.A N GLU 78.A O no hydrogen 2.830 N/A LYS 40.A NZ GLN 75.A OE1 no hydrogen 2.849 N/A LYS 40.A NZ ASP 76.A O no hydrogen 2.837 N/A ARG 41.A NE GLU 39.A OE2 no hydrogen 3.355 N/A HIS 42.A N GLU 39.A O no hydrogen 3.066 N/A ILE 43.A N LYS 40.A O no hydrogen 3.045 N/A ILE 44.A N HIS 42.A O no hydrogen 2.966 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.995 N/A ASN 47.A N ILE 44.A O no hydrogen 3.080 N/A ASN 47.A ND2 HIS 42.A O no hydrogen 2.892 N/A LYS 48.A N LYS 45.A O no hydrogen 3.286 N/A TYR 51.A OH ASP 148.A OD2 no hydrogen 2.671 N/A THR 53.A OG1 GLU 55.A OE1 no hydrogen 2.334 N/A THR 53.A OG1 GLU 55.A OE2 no hydrogen 2.892 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.731 N/A ARG 56.A NH2 GLY 150.A O no hydrogen 2.960 N/A ASP 57.A N ARG 54.A O no hydrogen 3.058 N/A SER 60.A N ARG 56.A O no hydrogen 2.950 N/A SER 60.A OG ARG 56.A O no hydrogen 3.277 N/A ARG 61.A N ASP 57.A O no hydrogen 2.919 N/A LEU 62.A N MET 59.A O no hydrogen 3.279 N/A PHE 66.A N HIS 64.A ND1 no hydrogen 2.951 N/A PHE 67.A N HIS 64.A O no hydrogen 3.385 N/A VAL 68.A N ILE 146.A O no hydrogen 3.124 N/A LYS 69.A N SER 85.A OG no hydrogen 2.835 N/A LYS 69.A NZ ASP 63.A OD1 no hydrogen 2.901 N/A TYR 71.A N GLY 83.A O no hydrogen 2.737 N/A PHE 74.A N TYR 81.A O no hydrogen 3.157 N/A ASP 76.A N LYS 79.A O no hydrogen 3.056 N/A GLU 78.A N ASP 76.A OD1 no hydrogen 3.144 N/A LYS 79.A N ASP 76.A OD1 no hydrogen 2.758 N/A LEU 80.A N LEU 38.A O no hydrogen 2.788 N/A TYR 81.A N PHE 74.A O no hydrogen 2.834 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 2.660 N/A PHE 82.A N LYS 36.A O no hydrogen 2.857 N/A GLY 83.A N PHE 72.A O no hydrogen 2.773 N/A LEU 84.A N ALA 34.A O no hydrogen 2.825 N/A SER 85.A N LYS 69.A O no hydrogen 3.030 N/A ASN 89.A N LEU 138.A O no hydrogen 2.988 N/A ASN 89.A ND2 ASN 139.A O no hydrogen 2.952 N/A GLY 90.A N ALA 87.A O no hydrogen 3.161 N/A LEU 92.A N ILE 136.A O no hydrogen 2.909 N/A LYS 94.A N GLU 91.A O no hydrogen 3.141 N/A LYS 94.A NZ ASN 89.A O no hydrogen 2.978 N/A ILE 96.A N LEU 93.A O no hydrogen 3.143 N/A LYS 98.A N TYR 95.A O no hydrogen 3.055 N/A ILE 99.A N TYR 95.A O no hydrogen 2.827 N/A GLY 100.A N ILE 96.A O no hydrogen 2.797 N/A PHE 102.A N LEU 193.A O no hydrogen 2.781 N/A CYS 106.A N ASP 103.A OD1 no hydrogen 2.837 N/A CYS 106.A SG ASP 103.A OD1 no hydrogen 3.330 N/A CYS 106.A SG PRO 274.A O no hydrogen 3.973 N/A CYS 106.A SG LYS 275.A O no hydrogen 3.755 N/A THR 107.A N ASP 103.A O no hydrogen 2.939 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.846 N/A ARG 108.A N GLU 104.A O no hydrogen 2.812 N/A PHE 109.A N THR 105.A O no hydrogen 2.999 N/A TYR 110.A N CYS 106.A O no hydrogen 3.024 N/A TYR 110.A OH MET 142.A O no hydrogen 2.647 N/A THR 111.A N THR 107.A O no hydrogen 2.840 N/A THR 111.A OG1 THR 107.A O no hydrogen 2.718 N/A ALA 112.A N ARG 108.A O no hydrogen 2.897 N/A GLU 113.A N PHE 109.A O no hydrogen 3.027 N/A ILE 114.A N TYR 110.A O no hydrogen 3.040 N/A VAL 115.A N THR 111.A O no hydrogen 2.852 N/A SER 116.A N ALA 112.A O no hydrogen 2.833 N/A ALA 117.A N GLU 113.A O no hydrogen 2.946 N/A LEU 118.A N ILE 114.A O no hydrogen 2.820 N/A GLU 119.A N VAL 115.A O no hydrogen 2.856 N/A TYR 120.A N SER 116.A O no hydrogen 3.156 N/A LEU 121.A N ALA 117.A O no hydrogen 2.976 N/A HIS 122.A N LEU 118.A O no hydrogen 2.803 N/A HIS 122.A NE2 ASP 182.A OD2 no hydrogen 2.797 N/A GLY 123.A N GLU 119.A O no hydrogen 2.870 N/A LYS 124.A N TYR 120.A O no hydrogen 3.264 N/A LYS 124.A N LEU 121.A O no hydrogen 3.021 N/A GLY 125.A N HIS 122.A O no hydrogen 2.893 N/A ILE 126.A N LEU 121.A O no hydrogen 3.066 N/A ILE 127.A N LYS 153.A O no hydrogen 2.852 N/A HIS 128.A N ASP 182.A OD2 no hydrogen 2.869 N/A HIS 128.A NE2 THR 147.A O no hydrogen 2.875 N/A ARG 129.A N ASP 182.A OD1 no hydrogen 3.004 N/A ARG 129.A NE THR 151.A O no hydrogen 2.751 N/A ARG 129.A NH1 ARG 163.A O no hydrogen 3.031 N/A ARG 129.A NH2 THR 151.A O no hydrogen 3.011 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.054 N/A LYS 132.A NZ ASP 130.A OD2 no hydrogen 3.231 N/A ASN 135.A N LYS 132.A O no hydrogen 2.880 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.931 N/A ILE 136.A N PRO 133.A O no hydrogen 2.980 N/A LEU 137.A N GLN 145.A O no hydrogen 2.959 N/A LEU 138.A N GLY 90.A O no hydrogen 2.743 N/A ASN 139.A N HIS 143.A O no hydrogen 2.948 N/A MET 142.A N ASN 139.A O no hydrogen 2.982 N/A HIS 143.A N ASN 139.A OD1 no hydrogen 3.021 N/A HIS 143.A ND1 GLU 113.A OE2 no hydrogen 2.647 N/A ILE 144.A N GLU 113.A OE1 no hydrogen 3.005 N/A GLN 145.A N LEU 137.A O no hydrogen 2.864 N/A GLN 145.A NE2 PRO 65.A O no hydrogen 2.807 N/A GLN 145.A NE2 ILE 144.A O no hydrogen 2.915 N/A ILE 146.A N PHE 66.A O no hydrogen 2.781 N/A THR 147.A N ASN 135.A O no hydrogen 2.923 N/A THR 147.A OG1 ASN 135.A O no hydrogen 3.475 N/A THR 147.A OG1 ASN 135.A OD1 no hydrogen 2.879 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.259 N/A GLY 150.A N ASP 148.A OD2 no hydrogen 3.296 N/A THR 151.A OG1 HIS 128.A O no hydrogen 2.835 N/A THR 151.A OG1 ASP 148.A OD1 no hydrogen 3.488 N/A ALA 152.A N ASP 148.A OD1 no hydrogen 2.870 N/A LYS 153.A N ILE 127.A O no hydrogen 2.886 N/A LEU 155.A N GLY 125.A O no hydrogen 2.802 N/A SER 156.A OG GLU 158.A OE2 no hydrogen 2.950 N/A SER 159.A N SER 156.A O no hydrogen 3.172 N/A SER 159.A OG GLN 161.A O no hydrogen 3.025 N/A LYS 160.A NZ GLU 246.A OE1 no hydrogen 3.210 N/A GLN 161.A N SER 159.A OG no hydrogen 3.078 N/A ALA 162.A N ALA 177.A O no hydrogen 2.859 N/A GLN 165.A NE2 PHE 200.A O no hydrogen 2.930 N/A TYR 166.A OH GLN 192.A OE1 no hydrogen 2.488 N/A VAL 167.A N ALA 164.A O no hydrogen 3.365 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.742 N/A LEU 171.A N SER 168.A O no hydrogen 3.224 N/A LEU 172.A N PRO 169.A O no hydrogen 2.816 N/A THR 173.A N PRO 169.A O no hydrogen 2.563 N/A GLU 174.A N GLU 170.A O no hydrogen 3.018 N/A SER 176.A N GLU 170.A O no hydrogen 3.245 N/A SER 176.A OG GLN 161.A OE1 no hydrogen 3.506 N/A SER 176.A OG GLU 174.A OE2 no hydrogen 2.813 N/A ALA 177.A N ALA 162.A O no hydrogen 2.754 N/A CYS 178.A N SER 181.A OG no hydrogen 2.887 N/A CYS 178.A SG SER 181.A OG no hydrogen 3.732 N/A LYS 179.A NZ HIS 122.A O no hydrogen 3.123 N/A LYS 179.A NZ GLU 246.A OE2 no hydrogen 2.684 N/A SER 180.A OG ALA 239.A O no hydrogen 2.558 N/A SER 181.A N CYS 178.A O no hydrogen 3.002 N/A SER 181.A OG GLU 170.A OE2 no hydrogen 2.890 N/A SER 181.A OG CYS 178.A O no hydrogen 3.237 N/A ASP 182.A N LYS 179.A O no hydrogen 3.012 N/A TRP 184.A N SER 180.A O no hydrogen 3.026 N/A ALA 185.A N SER 181.A O no hydrogen 3.259 N/A LEU 186.A N ASP 182.A O no hydrogen 2.925 N/A GLY 187.A N LEU 183.A O no hydrogen 2.996 N/A CYS 188.A N TRP 184.A O no hydrogen 3.099 N/A CYS 188.A SG TRP 184.A O no hydrogen 3.632 N/A ILE 189.A N ALA 185.A O no hydrogen 2.972 N/A ILE 190.A N LEU 186.A O no hydrogen 2.833 N/A TYR 191.A N GLY 187.A O no hydrogen 3.043 N/A TYR 191.A OH ASP 218.A O no hydrogen 2.724 N/A GLN 192.A N CYS 188.A O no hydrogen 2.949 N/A LEU 193.A N ILE 189.A O no hydrogen 2.913 N/A VAL 194.A N ILE 190.A O no hydrogen 3.077 N/A ALA 195.A N TYR 191.A O no hydrogen 2.814 N/A GLY 196.A N GLN 192.A O no hydrogen 2.777 N/A ARG 201.A NH1 TYR 191.A OH no hydrogen 3.400 N/A ARG 201.A NH1 PRO 198.A O no hydrogen 2.925 N/A LEU 207.A N ASN 204.A OD1 no hydrogen 2.984 N/A ILE 208.A N ASN 204.A O no hydrogen 3.004 N/A PHE 209.A N GLU 205.A O no hydrogen 2.921 N/A GLN 210.A N TYR 206.A O no hydrogen 3.374 N/A LYS 211.A N LEU 207.A O no hydrogen 3.058 N/A LYS 211.A NZ ARG 201.A O no hydrogen 2.817 N/A ILE 212.A N ILE 208.A O no hydrogen 2.964 N/A ILE 213.A N PHE 209.A O no hydrogen 3.092 N/A LYS 214.A N GLN 210.A O no hydrogen 3.040 N/A LEU 215.A N ILE 212.A O no hydrogen 3.135 N/A GLU 216.A N LYS 211.A O no hydrogen 2.790 N/A PHE 223.A N PRO 220.A O no hydrogen 3.342 N/A ARG 228.A N PHE 224.A O no hydrogen 2.830 N/A ASP 229.A N PRO 225.A O no hydrogen 3.109 N/A LEU 230.A N LYS 226.A O no hydrogen 3.090 N/A VAL 231.A N ALA 227.A O no hydrogen 2.882 N/A GLU 232.A N ARG 228.A O no hydrogen 2.995 N/A LYS 233.A N ASP 229.A O no hydrogen 3.163 N/A LYS 233.A N LEU 230.A O no hydrogen 3.080 N/A LYS 233.A NZ ASP 229.A OD1 no hydrogen 2.762 N/A LEU 234.A N VAL 231.A O no hydrogen 3.018 N/A LEU 235.A N VAL 231.A O no hydrogen 2.823 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.983 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.781 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.510 N/A LYS 241.A N ASP 238.A O no hydrogen 3.011 N/A ARG 242.A NE VAL 236.A O no hydrogen 2.783 N/A ARG 242.A NH1 GLU 170.A OE1 no hydrogen 3.490 N/A ARG 242.A NH1 GLU 170.A OE2 no hydrogen 2.756 N/A ARG 242.A NH1 SER 180.A O no hydrogen 2.964 N/A ARG 242.A NH2 GLU 170.A OE1 no hydrogen 2.743 N/A ARG 242.A NH2 VAL 236.A O no hydrogen 3.157 N/A ARG 242.A NH2 LEU 237.A O no hydrogen 3.230 N/A LEU 243.A N LYS 233.A O no hydrogen 2.981 N/A CYS 245.A N ARG 242.A O no hydrogen 2.990 N/A CYS 245.A SG ALA 239.A O no hydrogen 3.665 N/A CYS 245.A SG ARG 242.A O no hydrogen 3.140 N/A CYS 245.A SG GLU 247.A OE1 no hydrogen 3.372 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.770 N/A MET 248.A N CYS 245.A O no hydrogen 2.989 N/A GLU 249.A N GLU 246.A O no hydrogen 3.165 N/A GLY 250.A N CYS 245.A O no hydrogen 2.916 N/A TYR 251.A OH HIS 122.A ND1 no hydrogen 2.708 N/A LYS 255.A N TYR 251.A O no hydrogen 2.804 N/A LYS 255.A NZ GLU 119.A OE1 no hydrogen 2.693 N/A ALA 256.A N GLY 252.A O no hydrogen 2.842 N/A HIS 257.A N LEU 254.A O no hydrogen 3.114 N/A HIS 257.A NE2 ASP 229.A OD1 no hydrogen 2.747 N/A PHE 259.A N HIS 257.A ND1 no hydrogen 2.870 N/A PHE 260.A N HIS 257.A O no hydrogen 2.872 N/A GLU 261.A N PRO 258.A O no hydrogen 3.137 N/A SER 262.A OG GLU 261.A O no hydrogen 2.537 N/A VAL 263.A N PHE 260.A O no hydrogen 3.097 N/A THR 264.A OG1 ASN 267.A OD1 no hydrogen 2.728 N/A THR 264.A OG1 GLN 271.A OE1 no hydrogen 2.735 N/A GLN 270.A N ASN 267.A O no hydrogen 2.896 N/A GLN 271.A N ASN 267.A O no hydrogen 3.132 N/A GLN 271.A N LEU 268.A O no hydrogen 3.273 N/A