Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f9n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N VAL 17.A O no hydrogen 2.806 N/A VAL 6.A N LEU 15.A O no hydrogen 2.825 N/A LEU 9.A N VAL 13.A O no hydrogen 2.712 N/A GLY 10.A N VAL 13.A O no hydrogen 3.377 N/A GLU 12.A N ILE 29.A O no hydrogen 3.350 N/A VAL 13.A N GLY 10.A O no hydrogen 3.046 N/A GLN 14.A N VAL 27.A O no hydrogen 2.977 N/A LEU 15.A N GLN 7.A O no hydrogen 2.744 N/A ALA 16.A N VAL 25.A O no hydrogen 2.812 N/A VAL 17.A N ASP 4.A O no hydrogen 2.842 N/A ASN 18.A N GLU 23.A O no hydrogen 2.589 N/A ARG 19.A N ASP 2.A O no hydrogen 2.578 N/A ARG 19.A NH1 GLU 1.A O no hydrogen 2.609 N/A VAL 20.A N ASN 18.A OD1 no hydrogen 2.760 N/A THR 21.A N ASN 18.A OD1 no hydrogen 2.956 N/A THR 21.A OG1 GLU 23.A OE2 no hydrogen 3.551 N/A GLU 22.A N ASN 18.A O no hydrogen 2.836 N/A GLU 23.A N THR 21.A OG1 no hydrogen 3.082 N/A VAL 25.A N ALA 16.A O no hydrogen 2.792 N/A ALA 26.A N LEU 67.A O no hydrogen 2.874 N/A VAL 27.A N GLN 14.A O no hydrogen 2.916 N/A LYS 28.A N LEU 65.A O no hydrogen 2.897 N/A LYS 28.A NZ GLU 38.A OE1 no hydrogen 3.423 N/A LYS 28.A NZ GLU 38.A OE2 no hydrogen 2.555 N/A LYS 28.A NZ ASP 131.A OD2 no hydrogen 3.394 N/A ILE 29.A N GLU 12.A O no hydrogen 2.845 N/A VAL 30.A N GLN 63.A O no hydrogen 2.760 N/A LYS 37.A NZ THR 136.A OG1 no hydrogen 2.969 N/A GLU 38.A N ASN 34.A O no hydrogen 2.413 N/A ILE 39.A N ILE 35.A O no hydrogen 2.988 N/A CYS 40.A N LYS 36.A O no hydrogen 3.007 N/A ILE 41.A N LYS 37.A O no hydrogen 2.684 N/A ASN 42.A N GLU 38.A O no hydrogen 2.998 N/A ASN 42.A ND2 GLU 38.A O no hydrogen 2.842 N/A LYS 43.A N ILE 39.A O no hydrogen 2.995 N/A LYS 43.A N CYS 40.A O no hydrogen 3.189 N/A MET 44.A N ILE 41.A O no hydrogen 3.010 N/A LEU 45.A N ASN 42.A O no hydrogen 3.228 N/A ASN 46.A N TYR 103.A OH no hydrogen 2.913 N/A GLU 48.A N GLU 48.A OE2 no hydrogen 2.615 N/A ASN 49.A N HIS 47.A ND1 no hydrogen 3.017 N/A ASN 49.A ND2 LEU 127.A O no hydrogen 2.929 N/A VAL 50.A N HIS 47.A O no hydrogen 3.132 N/A VAL 51.A N ILE 129.A O no hydrogen 2.991 N/A LYS 52.A N GLU 68.A OE2 no hydrogen 2.627 N/A LYS 52.A NZ HIS 47.A O no hydrogen 3.442 N/A TYR 54.A N PHE 66.A O no hydrogen 2.683 N/A HIS 56.A ND1 GLN 63.A OE1 no hydrogen 3.386 N/A ARG 57.A N TYR 64.A O no hydrogen 2.836 N/A GLN 63.A N VAL 30.A O no hydrogen 3.071 N/A TYR 64.A N ARG 57.A O no hydrogen 2.897 N/A LEU 65.A N LYS 28.A O no hydrogen 2.935 N/A PHE 66.A N GLY 55.A O no hydrogen 2.700 N/A LEU 67.A N ALA 26.A O no hydrogen 2.898 N/A GLU 68.A N LYS 52.A O no hydrogen 2.762 N/A CYS 70.A SG GLU 68.A O no hydrogen 3.929 N/A GLY 72.A N LEU 121.A O no hydrogen 2.731 N/A GLY 73.A N CYS 70.A O no hydrogen 3.307 N/A LEU 75.A N LEU 119.A O no hydrogen 2.733 N/A PHE 76.A N PRO 116.A O no hydrogen 3.240 N/A ASP 77.A N GLU 74.A O no hydrogen 2.950 N/A ARG 78.A N LEU 75.A O no hydrogen 2.718 N/A ARG 78.A NH1 ASP 125.A OD1 no hydrogen 3.193 N/A ARG 78.A NH1 ASP 125.A OD2 no hydrogen 2.548 N/A ARG 78.A NH2 GLY 72.A O no hydrogen 3.332 N/A ARG 78.A NH2 ASP 125.A OD1 no hydrogen 2.630 N/A ILE 79.A N PHE 76.A O no hydrogen 3.369 N/A GLU 80.A N GLY 84.A O no hydrogen 3.031 N/A ASP 82.A N GLY 187.A O no hydrogen 2.764 N/A ILE 83.A N GLU 80.A O no hydrogen 2.819 N/A GLY 84.A N GLU 80.A O no hydrogen 2.896 N/A ALA 90.A N PRO 86.A O no hydrogen 3.046 N/A GLN 91.A N GLU 87.A O no hydrogen 2.757 N/A ARG 92.A N PRO 88.A O no hydrogen 3.095 N/A ARG 92.A NH1 ASP 125.A O no hydrogen 2.909 N/A ARG 92.A NH2 ARG 124.A O no hydrogen 3.224 N/A ARG 92.A NH2 ASP 125.A O no hydrogen 3.141 N/A PHE 93.A N ASP 89.A O no hydrogen 2.961 N/A PHE 94.A N ALA 90.A O no hydrogen 2.823 N/A HIS 95.A N GLN 91.A O no hydrogen 2.786 N/A HIS 95.A NE2 TYR 248.A O no hydrogen 2.722 N/A GLN 96.A N ARG 92.A O no hydrogen 3.059 N/A LEU 97.A N PHE 93.A O no hydrogen 2.805 N/A MET 98.A N PHE 94.A O no hydrogen 2.973 N/A ALA 99.A N HIS 95.A O no hydrogen 3.015 N/A GLY 100.A N GLN 96.A O no hydrogen 2.979 N/A VAL 101.A N LEU 97.A O no hydrogen 2.813 N/A VAL 102.A N MET 98.A O no hydrogen 2.779 N/A TYR 103.A N ALA 99.A O no hydrogen 3.139 N/A LEU 104.A N GLY 100.A O no hydrogen 3.026 N/A HIS 105.A N VAL 101.A O no hydrogen 2.796 N/A HIS 105.A NE2 ASP 173.A OD2 no hydrogen 2.762 N/A GLY 106.A N VAL 102.A O no hydrogen 2.799 N/A ILE 107.A N TYR 103.A O no hydrogen 3.175 N/A ILE 107.A N LEU 104.A O no hydrogen 3.134 N/A GLY 108.A N HIS 105.A O no hydrogen 2.945 N/A ILE 109.A N LEU 104.A O no hydrogen 2.856 N/A THR 110.A N THR 136.A O no hydrogen 3.014 N/A THR 110.A OG1 ASP 173.A OD1 no hydrogen 3.378 N/A THR 110.A OG1 ASP 173.A OD2 no hydrogen 2.601 N/A HIS 111.A N ASP 173.A OD2 no hydrogen 3.330 N/A HIS 111.A NE2 SER 130.A O no hydrogen 2.838 N/A ARG 112.A N ASP 173.A OD1 no hydrogen 3.143 N/A ARG 112.A NE LEU 134.A O no hydrogen 2.711 N/A ARG 112.A NH2 LEU 134.A O no hydrogen 3.130 N/A ASP 113.A N HIS 111.A ND1 no hydrogen 3.015 N/A LYS 115.A NZ THR 153.A OG1 no hydrogen 2.804 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.655 N/A ASN 118.A N LYS 115.A O no hydrogen 2.883 N/A ASN 118.A ND2 ASP 113.A O no hydrogen 2.909 N/A LEU 119.A N PRO 116.A O no hydrogen 3.278 N/A LEU 120.A N LYS 128.A O no hydrogen 2.822 N/A LEU 121.A N GLY 73.A O no hydrogen 2.714 N/A ASP 122.A N ASN 126.A O no hydrogen 3.020 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.478 N/A ASP 125.A N ASP 122.A O no hydrogen 2.918 N/A ASN 126.A N ASP 122.A OD2 no hydrogen 2.831 N/A LEU 127.A N GLN 96.A OE1 no hydrogen 2.755 N/A LYS 128.A N LEU 120.A O no hydrogen 2.705 N/A LYS 128.A NZ GLU 48.A O no hydrogen 2.931 N/A LYS 128.A NZ GLU 68.A OE1 no hydrogen 2.999 N/A ILE 129.A N ASN 49.A O no hydrogen 2.850 N/A SER 130.A N ASN 118.A O no hydrogen 2.768 N/A GLY 133.A N ASP 131.A OD2 no hydrogen 2.994 N/A ALA 135.A N PHE 132.A O no hydrogen 3.241 N/A THR 136.A N THR 110.A O no hydrogen 3.070 N/A PHE 138.A N GLY 108.A O no hydrogen 2.873 N/A ARG 139.A NH1 HIS 105.A O no hydrogen 3.059 N/A ARG 139.A NH2 HIS 105.A O no hydrogen 3.382 N/A TYR 140.A N ARG 143.A O no hydrogen 3.013 N/A ARG 143.A N TYR 140.A O no hydrogen 2.962 N/A ARG 143.A NH1 ASN 142.A O no hydrogen 3.482 N/A ARG 145.A N PHE 138.A O no hydrogen 2.775 N/A ARG 145.A NH2 THR 136.A OG1 no hydrogen 3.120 N/A LEU 147.A N PHE 167.A O no hydrogen 2.820 N/A THR 153.A OG1 ASP 113.A OD2 no hydrogen 2.651 N/A TYR 156.A N THR 153.A O no hydrogen 2.846 N/A VAL 157.A N LEU 154.A O no hydrogen 3.242 N/A GLU 160.A N GLU 160.A OE2 no hydrogen 2.743 N/A LEU 161.A N ALA 158.A O no hydrogen 3.174 N/A LEU 162.A N PRO 159.A O no hydrogen 3.004 N/A LYS 163.A N GLU 160.A O no hydrogen 3.097 N/A ARG 164.A N GLU 160.A O no hydrogen 2.771 N/A PHE 167.A N LEU 147.A O no hydrogen 2.879 N/A HIS 168.A ND1 GLU 144.A OE1 no hydrogen 2.775 N/A VAL 172.A N ALA 169.A O no hydrogen 3.183 N/A VAL 174.A N GLU 170.A O no hydrogen 3.039 N/A TRP 175.A N PRO 171.A O no hydrogen 3.004 N/A SER 176.A N VAL 172.A O no hydrogen 3.099 N/A SER 176.A OG VAL 172.A O no hydrogen 3.463 N/A SER 176.A OG ASP 173.A O no hydrogen 2.986 N/A CYS 177.A N ASP 173.A O no hydrogen 3.087 N/A CYS 177.A SG ASP 173.A O no hydrogen 3.248 N/A GLY 178.A N VAL 174.A O no hydrogen 3.030 N/A ILE 179.A N TRP 175.A O no hydrogen 2.953 N/A VAL 180.A N SER 176.A O no hydrogen 2.875 N/A LEU 181.A N CYS 177.A O no hydrogen 2.906 N/A THR 182.A N GLY 178.A O no hydrogen 2.977 N/A THR 182.A OG1 GLY 178.A O no hydrogen 2.956 N/A ALA 183.A N ILE 179.A O no hydrogen 2.995 N/A MET 184.A N VAL 180.A O no hydrogen 2.856 N/A LEU 185.A N LEU 181.A O no hydrogen 2.922 N/A ALA 186.A N THR 182.A O no hydrogen 2.821 N/A GLY 187.A N ALA 183.A O no hydrogen 2.802 N/A GLN 193.A NE2 SER 195.A OG no hydrogen 3.080 N/A SER 195.A N GLN 193.A O no hydrogen 3.031 N/A SER 195.A OG SER 197.A OG no hydrogen 3.213 N/A SER 197.A OG SER 195.A OG no hydrogen 3.213 N/A CYS 198.A N SER 195.A O no hydrogen 2.836 N/A CYS 198.A SG GLN 193.A O no hydrogen 3.451 N/A CYS 198.A SG GLU 200.A OE1 no hydrogen 3.826 N/A GLN 199.A NE2 ASP 203.A OD2 no hydrogen 2.782 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.782 N/A TYR 201.A OH GLU 231.A OE2 no hydrogen 2.646 N/A SER 202.A N CYS 198.A O no hydrogen 3.060 N/A SER 202.A OG CYS 198.A O no hydrogen 3.479 N/A ASP 203.A N GLN 199.A O no hydrogen 2.886 N/A TRP 204.A N GLU 200.A O no hydrogen 3.095 N/A TRP 204.A NE1 LEU 229.A O no hydrogen 2.916 N/A LYS 205.A N TYR 201.A O no hydrogen 3.075 N/A LYS 205.A NZ ASP 196.A OD1 no hydrogen 2.381 N/A LYS 205.A NZ GLU 231.A OE1 no hydrogen 3.430 N/A LYS 205.A NZ GLU 231.A OE2 no hydrogen 2.883 N/A GLU 206.A N SER 202.A O no hydrogen 3.041 N/A LYS 207.A N TRP 204.A O no hydrogen 2.870 N/A LYS 208.A N ASP 203.A O no hydrogen 3.054 N/A LYS 208.A NZ ASP 203.A OD2 no hydrogen 3.364 N/A LYS 208.A NZ GLU 206.A OE1 no hydrogen 3.307 N/A THR 209.A N LYS 207.A O no hydrogen 2.823 N/A LEU 211.A N LYS 208.A O no hydrogen 3.327 N/A LYS 215.A N LEU 211.A O no hydrogen 3.041 N/A LYS 216.A N PRO 213.A O no hydrogen 3.019 N/A LYS 216.A NZ ASP 82.A O no hydrogen 3.147 N/A LYS 216.A NZ ASP 82.A OD1 no hydrogen 3.058 N/A LYS 216.A NZ ALA 186.A O no hydrogen 2.756 N/A LYS 216.A NZ GLU 188.A OE2 no hydrogen 2.914 N/A ILE 217.A N TRP 214.A O no hydrogen 2.986 N/A ALA 220.A N ASP 218.A OD1 no hydrogen 3.063 N/A LEU 222.A N ASP 218.A O no hydrogen 3.039 N/A ALA 223.A N SER 219.A O no hydrogen 2.919 N/A LEU 224.A N ALA 220.A O no hydrogen 3.363 N/A LEU 225.A N PRO 221.A O no hydrogen 2.914 N/A HIS 226.A N LEU 222.A O no hydrogen 2.806 N/A LYS 227.A N LEU 224.A O no hydrogen 2.911 N/A LYS 227.A NZ ASP 245.A OD2 no hydrogen 2.697 N/A ILE 228.A N LEU 224.A O no hydrogen 2.986 N/A LEU 229.A N LEU 225.A O no hydrogen 2.898 N/A ALA 235.A N ASN 232.A O no hydrogen 2.933 N/A ARG 236.A N ASN 232.A O no hydrogen 3.117 N/A ARG 236.A NE VAL 230.A O no hydrogen 2.977 N/A ARG 236.A NH1 GLU 160.A OE1 no hydrogen 3.507 N/A ARG 236.A NH1 GLU 160.A OE2 no hydrogen 2.748 N/A ARG 236.A NH1 VAL 230.A O no hydrogen 3.040 N/A ARG 236.A NH1 GLU 231.A O no hydrogen 3.065 N/A ARG 236.A NH2 GLU 160.A OE1 no hydrogen 2.778 N/A ARG 236.A NH2 GLU 160.A OE2 no hydrogen 3.507 N/A ARG 236.A NH2 PRO 171.A O no hydrogen 2.832 N/A ILE 237.A N LYS 227.A O no hydrogen 3.181 N/A ILE 242.A N THR 238.A O no hydrogen 2.911 N/A LYS 243.A N ILE 239.A O no hydrogen 2.965 N/A LYS 243.A NZ TYR 248.A OH no hydrogen 3.141 N/A LYS 244.A N ASP 241.A O no hydrogen 2.972 N/A LYS 244.A NZ ASP 241.A OD2 no hydrogen 2.500 N/A ASP 245.A N ILE 242.A O no hydrogen 2.922 N/A TRP 247.A NE1 GLU 87.A OE1 no hydrogen 2.709 N/A TYR 248.A N ASP 245.A OD1 no hydrogen 2.874 N/A ASN 249.A N ASP 245.A O no hydrogen 3.140 N/A ASN 249.A N ARG 246.A O no hydrogen 3.269 N/A ASN 249.A ND2 LYS 243.A O no hydrogen 2.935 N/A ASN 249.A ND2 ASP 245.A O no hydrogen 2.916 N/A LYS 250.A N TRP 247.A O no hydrogen 2.931 N/A