Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ARG 250.A O no hydrogen 2.740 N/A SER 7.A N SER 5.A OG no hydrogen 2.963 N/A SER 7.A OG ASP 10.A OD2 no hydrogen 2.463 N/A ASP 10.A N SER 7.A OG no hydrogen 3.180 N/A PHE 11.A N SER 7.A O no hydrogen 3.282 N/A ARG 12.A N MET 8.A O no hydrogen 2.929 N/A ARG 12.A NH1 ALA 266.A O no hydrogen 3.166 N/A ARG 12.A NH2 ALA 266.A O no hydrogen 2.818 N/A LYS 13.A N ALA 9.A O no hydrogen 3.079 N/A PHE 15.A N PHE 11.A O no hydrogen 3.000 N/A ALA 16.A N ARG 12.A O no hydrogen 3.250 N/A LYS 17.A N PHE 14.A O no hydrogen 3.121 N/A ALA 18.A N PHE 14.A O no hydrogen 3.081 N/A LYS 19.A N ASP 207.A OD1 no hydrogen 3.260 N/A LYS 19.A N ASP 207.A OD2 no hydrogen 2.855 N/A HIS 20.A N ASP 207.A OD1 no hydrogen 2.910 N/A HIS 20.A NE2 GLU 202.A OE1 no hydrogen 2.677 N/A ILE 21.A N ARG 98.A O no hydrogen 2.831 N/A VAL 22.A N LEU 208.A O no hydrogen 2.849 N/A ILE 23.A N VAL 100.A O no hydrogen 2.865 N/A ILE 24.A N LEU 210.A O no hydrogen 2.645 N/A SER 25.A N ILE 102.A O no hydrogen 3.044 N/A SER 25.A OG THR 103.A OG1 no hydrogen 2.845 N/A SER 25.A OG HIS 110.A NE2 no hydrogen 2.890 N/A GLY 26.A N VAL 212.A O no hydrogen 2.821 N/A GLY 28.A N GLY 213.A O no hydrogen 2.837 N/A VAL 29.A N GLY 26.A O no hydrogen 3.199 N/A SER 30.A N ALA 27.A O no hydrogen 3.026 N/A SER 30.A OG HIS 82.A NE2 no hydrogen 2.920 N/A SER 30.A OG ASP 107.A OD2 no hydrogen 2.789 N/A ALA 31.A N ALA 27.A O no hydrogen 2.781 N/A SER 33.A N SER 30.A O no hydrogen 2.696 N/A SER 33.A OG GLU 77.A O no hydrogen 3.284 N/A GLY 34.A N ALA 31.A O no hydrogen 3.339 N/A THR 37.A OG1 PHE 38.A O no hydrogen 3.548 N/A TRP 41.A N TRP 44.A O no hydrogen 2.805 N/A TRP 41.A NE1 GLY 152.A O no hydrogen 2.985 N/A ARG 42.A N PRO 154.A O no hydrogen 2.886 N/A ARG 42.A NE ALA 153.A O no hydrogen 2.643 N/A ARG 42.A NH1 GLU 64.A OE1 no hydrogen 2.932 N/A ARG 42.A NH2 GLU 64.A OE2 no hydrogen 2.793 N/A ARG 42.A NH2 ALA 153.A O no hydrogen 2.931 N/A TRP 44.A N TRP 41.A O no hydrogen 3.033 N/A GLN 45.A NE2 GLY 39.A O no hydrogen 3.396 N/A ASP 48.A N GLN 45.A O no hydrogen 2.974 N/A LEU 49.A N ALA 46.A O no hydrogen 3.012 N/A ALA 50.A N ALA 46.A O no hydrogen 2.656 N/A THR 51.A N LEU 49.A O no hydrogen 2.844 N/A THR 51.A OG1 GLN 47.A O no hydrogen 3.303 N/A PHE 55.A N THR 51.A O no hydrogen 3.125 N/A ALA 56.A N PRO 52.A O no hydrogen 2.790 N/A HIS 57.A N LEU 53.A O no hydrogen 3.105 N/A HIS 57.A N ALA 54.A O no hydrogen 3.281 N/A ASN 58.A N ALA 54.A O no hydrogen 2.804 N/A ARG 61.A N ASN 58.A OD1 no hydrogen 3.138 N/A ARG 61.A NE ASP 160.A OD1 no hydrogen 3.446 N/A ARG 61.A NE ASP 160.A OD2 no hydrogen 2.698 N/A ARG 61.A NH2 ASP 160.A OD2 no hydrogen 2.746 N/A VAL 62.A N ASN 58.A O no hydrogen 3.235 N/A TRP 63.A N PRO 59.A O no hydrogen 2.886 N/A TRP 63.A NE1 LEU 180.A O no hydrogen 2.848 N/A GLU 64.A N SER 60.A O no hydrogen 2.898 N/A PHE 65.A N ARG 61.A O no hydrogen 3.063 N/A TYR 66.A N VAL 62.A O no hydrogen 2.988 N/A HIS 67.A N TRP 63.A O no hydrogen 2.634 N/A TYR 68.A N GLU 64.A O no hydrogen 2.882 N/A ARG 69.A N PHE 65.A O no hydrogen 3.230 N/A ARG 70.A N TYR 66.A O no hydrogen 3.025 N/A ARG 70.A NH1 LEU 125.A O no hydrogen 3.160 N/A ARG 70.A NH1 ASN 139.A O no hydrogen 2.731 N/A ARG 70.A NH2 ASN 139.A O no hydrogen 3.132 N/A ARG 70.A NH2 ASN 139.A OD1 no hydrogen 2.984 N/A ARG 70.A NH2 LYS 141.A O no hydrogen 2.942 N/A GLU 71.A N HIS 67.A O no hydrogen 3.041 N/A VAL 72.A N TYR 68.A O no hydrogen 2.981 N/A MET 73.A N ARG 69.A O no hydrogen 2.949 N/A GLY 74.A N ARG 70.A O no hydrogen 3.195 N/A SER 75.A OG VAL 72.A O no hydrogen 3.514 N/A LYS 76.A N MET 73.A O no hydrogen 2.689 N/A LYS 76.A NZ GLY 34.A O no hydrogen 2.687 N/A ASN 79.A N HIS 82.A ND1 no hydrogen 3.173 N/A ASN 79.A ND2 VAL 29.A O no hydrogen 2.911 N/A HIS 82.A N ASN 79.A OD1 no hydrogen 3.048 N/A HIS 82.A NE2 SER 30.A OG no hydrogen 2.920 N/A ARG 83.A N ASN 79.A O no hydrogen 2.885 N/A ARG 83.A NH1 ALA 113.A O no hydrogen 3.307 N/A ALA 84.A N ALA 80.A O no hydrogen 2.852 N/A ILE 85.A N GLY 81.A O no hydrogen 3.092 N/A ALA 86.A N HIS 82.A O no hydrogen 2.951 N/A GLU 87.A N ARG 83.A O no hydrogen 2.845 N/A CYS 88.A N ALA 84.A O no hydrogen 2.919 N/A GLU 89.A N ILE 85.A O no hydrogen 3.147 N/A THR 90.A N ALA 86.A O no hydrogen 3.029 N/A THR 90.A OG1 ALA 86.A O no hydrogen 3.318 N/A ARG 91.A N GLU 87.A O no hydrogen 2.901 N/A ARG 91.A NH2 LEU 265.A O no hydrogen 2.842 N/A LEU 92.A N CYS 88.A O no hydrogen 2.972 N/A GLY 93.A N GLU 89.A O no hydrogen 2.856 N/A LYS 94.A N ARG 91.A O no hydrogen 3.237 N/A GLN 95.A N LEU 92.A O no hydrogen 2.828 N/A GLY 96.A N GLY 93.A O no hydrogen 3.189 N/A ARG 97.A N LEU 92.A O no hydrogen 2.834 N/A ARG 97.A NE ALA 18.A O no hydrogen 2.755 N/A ARG 97.A NH1 GLN 95.A OE1 no hydrogen 2.723 N/A ARG 97.A NH2 ALA 18.A O no hydrogen 2.879 N/A ARG 98.A N LYS 19.A O no hydrogen 2.868 N/A ARG 98.A NE GLU 202.A OE1 no hydrogen 3.060 N/A ARG 98.A NE GLU 202.A OE2 no hydrogen 3.303 N/A ARG 98.A NH2 GLU 202.A OE2 no hydrogen 2.586 N/A VAL 100.A N ILE 21.A O no hydrogen 2.915 N/A VAL 101.A N ASN 117.A O no hydrogen 2.744 N/A ILE 102.A N ILE 23.A O no hydrogen 2.925 N/A THR 103.A N LEU 119.A O no hydrogen 2.976 N/A THR 103.A OG1 SER 25.A OG no hydrogen 2.845 N/A GLN 104.A N SER 25.A O no hydrogen 2.964 N/A ASN 105.A N THR 103.A OG1 no hydrogen 3.031 N/A ASN 105.A ND2 GLY 26.A O no hydrogen 2.982 N/A LEU 109.A N ASP 107.A OD1 no hydrogen 2.730 N/A HIS 110.A NE2 SER 25.A OG no hydrogen 2.890 N/A LYS 112.A N GLU 108.A O no hydrogen 3.079 N/A LYS 112.A NZ GLY 74.A O no hydrogen 3.136 N/A ALA 113.A N LEU 109.A O no hydrogen 3.000 N/A GLY 114.A N HIS 110.A O no hydrogen 3.285 N/A GLY 114.A N ARG 111.A O no hydrogen 3.133 N/A THR 115.A N HIS 110.A O no hydrogen 3.075 N/A LYS 116.A N GLU 89.A OE1 no hydrogen 3.118 N/A LYS 116.A N GLU 89.A OE2 no hydrogen 3.209 N/A ASN 117.A N GLU 89.A OE2 no hydrogen 2.675 N/A ASN 117.A ND2 VAL 99.A O no hydrogen 3.090 N/A LEU 119.A N VAL 101.A O no hydrogen 2.739 N/A ILE 121.A N THR 103.A O no hydrogen 3.272 N/A HIS 122.A ND1 GLN 104.A O no hydrogen 3.011 N/A GLY 123.A N GLU 120.A O no hydrogen 3.253 N/A SER 124.A N HIS 183.A O no hydrogen 2.991 N/A SER 124.A OG GLU 108.A OE1 no hydrogen 2.756 N/A LEU 125.A N ILE 106.A O no hydrogen 2.986 N/A PHE 126.A N SER 124.A OG no hydrogen 2.850 N/A LYS 127.A N SER 124.A O no hydrogen 3.340 N/A THR 128.A N ALA 137.A O no hydrogen 2.837 N/A ARG 129.A N ARG 181.A O no hydrogen 2.849 N/A ARG 129.A NH1 HIS 183.A ND1 no hydrogen 2.999 N/A CYS 130.A N VAL 135.A O no hydrogen 3.093 N/A THR 131.A N LEU 179.A O no hydrogen 2.968 N/A THR 131.A OG1 LEU 179.A O no hydrogen 2.656 N/A GLY 134.A N CYS 130.A O no hydrogen 2.934 N/A ALA 137.A N THR 128.A O no hydrogen 3.018 N/A ASN 139.A N PHE 126.A O no hydrogen 2.827 N/A TYR 140.A OH GLU 108.A OE2 no hydrogen 2.826 N/A LYS 141.A N ASN 139.A OD1 no hydrogen 3.000 N/A SER 142.A OG GLU 71.A OE1 no hydrogen 2.431 N/A SER 142.A OG GLU 71.A OE2 no hydrogen 3.107 N/A CYS 145.A SG LYS 167.A O no hydrogen 3.499 N/A LEU 148.A N CYS 145.A O no hydrogen 3.060 N/A SER 149.A N PRO 146.A O no hydrogen 3.102 N/A LYS 151.A N LEU 148.A O no hydrogen 2.910 N/A GLY 152.A N GLU 64.A OE2 no hydrogen 3.011 N/A THR 158.A N GLU 155.A O no hydrogen 3.009 N/A THR 158.A OG1 GLU 155.A O no hydrogen 2.659 N/A ALA 161.A N GLU 64.A OE1 no hydrogen 2.791 N/A ILE 163.A N SER 60.A OG no hydrogen 2.814 N/A LYS 167.A N PRO 164.A O no hydrogen 2.927 N/A LEU 168.A N VAL 165.A O no hydrogen 3.142 N/A ARG 170.A NE GLY 177.A O no hydrogen 2.809 N/A ARG 170.A NH1 VAL 165.A O no hydrogen 2.853 N/A ARG 170.A NH2 GLY 177.A O no hydrogen 2.589 N/A CYS 171.A N GLY 178.A O no hydrogen 2.886 N/A CYS 176.A N GLU 173.A O no hydrogen 2.961 N/A GLY 177.A N CYS 171.A O no hydrogen 3.381 N/A LEU 180.A N PRO 169.A O no hydrogen 3.048 N/A ARG 181.A N ARG 129.A O no hydrogen 2.854 N/A ARG 181.A NE PRO 182.A O no hydrogen 2.978 N/A ARG 181.A NH1 VAL 184.A O no hydrogen 2.806 N/A ARG 181.A NH1 GLU 189.A OE1 no hydrogen 3.450 N/A ARG 181.A NH1 GLU 189.A OE2 no hydrogen 2.922 N/A ARG 181.A NH2 GLU 189.A OE1 no hydrogen 2.704 N/A HIS 183.A N LYS 127.A O no hydrogen 2.935 N/A VAL 185.A N HIS 122.A O no hydrogen 2.818 N/A TRP 186.A N GLU 189.A OE2 no hydrogen 2.959 N/A PHE 187.A N ALA 50.A O no hydrogen 2.843 N/A GLU 189.A N TRP 186.A O no hydrogen 2.979 N/A ILE 195.A N ASP 192.A OD2 no hydrogen 3.308 N/A LEU 196.A N ASP 192.A O no hydrogen 2.919 N/A GLU 197.A N PRO 193.A O no hydrogen 2.974 N/A GLU 198.A N ALA 194.A O no hydrogen 3.316 N/A VAL 199.A N ILE 195.A O no hydrogen 2.855 N/A ASP 200.A N LEU 196.A O no hydrogen 2.874 N/A ARG 201.A N GLU 197.A O no hydrogen 2.999 N/A ARG 201.A NH1 GLU 198.A OE1.A no hydrogen 3.212 N/A GLU 202.A N GLU 198.A O no hydrogen 3.165 N/A LEU 203.A N VAL 199.A O no hydrogen 3.007 N/A ALA 204.A N ASP 200.A O no hydrogen 2.948 N/A HIS 205.A N GLU 202.A O no hydrogen 3.385 N/A CYS 206.A SG LEU 203.A O no hydrogen 3.710 N/A ASP 207.A N HIS 20.A O no hydrogen 2.981 N/A LEU 208.A N HIS 20.A O no hydrogen 3.254 N/A CYS 209.A N PRO 234.A O no hydrogen 3.342 N/A CYS 209.A SG VAL 22.A O no hydrogen 3.846 N/A LEU 210.A N VAL 22.A O no hydrogen 2.667 N/A VAL 211.A N ALA 236.A O no hydrogen 2.940 N/A VAL 212.A N ILE 24.A O no hydrogen 2.469 N/A GLY 213.A N PHE 238.A O no hydrogen 2.860 N/A SER 216.A N THR 214.A OG1 no hydrogen 3.248 N/A ALA 222.A N VAL 218.A O no hydrogen 2.930 N/A MET 223.A N PRO 220.A O no hydrogen 2.988 N/A PHE 224.A N ALA 221.A O no hydrogen 2.976 N/A GLN 227.A N MET 223.A O no hydrogen 3.173 N/A VAL 228.A N PHE 224.A O no hydrogen 3.295 N/A ALA 229.A N ALA 225.A O no hydrogen 2.763 N/A ALA 230.A N PRO 226.A O no hydrogen 2.711 N/A ARG 231.A N VAL 228.A O no hydrogen 2.974 N/A ARG 231.A NH2 LEU 203.A O no hydrogen 2.927 N/A GLY 232.A N ALA 229.A O no hydrogen 2.802 N/A ALA 236.A N CYS 209.A O no hydrogen 3.008 N/A GLU 237.A N PHE 251.A O no hydrogen 3.001 N/A PHE 238.A N VAL 211.A O no hydrogen 3.074 N/A ASN 239.A N PHE 253.A O no hydrogen 3.289 N/A ASN 239.A ND2 THR 214.A O no hydrogen 3.449 N/A ASN 239.A ND2 PHE 238.A O no hydrogen 3.133 N/A THR 243.A N THR 246.A OG1 no hydrogen 2.445 N/A THR 243.A OG1 GLU 237.A OE2 no hydrogen 2.180 N/A THR 243.A OG1 THR 246.A OG1 no hydrogen 2.621 N/A THR 246.A N THR 243.A O no hydrogen 3.160 N/A THR 246.A OG1 GLU 237.A OE1 no hydrogen 2.247 N/A THR 246.A OG1 GLU 237.A OE2 no hydrogen 3.072 N/A THR 246.A OG1 THR 243.A O no hydrogen 3.190 N/A THR 246.A OG1 THR 243.A OG1 no hydrogen 2.621 N/A ARG 248.A N ALA 245.A O no hydrogen 3.161 N/A PHE 249.A N THR 246.A O no hydrogen 2.726 N/A ARG 250.A N VAL 235.A O no hydrogen 3.094 N/A PHE 251.A N VAL 235.A O no hydrogen 3.246 N/A HIS 252.A N SER 5.A O no hydrogen 2.857 N/A HIS 252.A NE2 GLU 241.A O no hydrogen 2.604 N/A PHE 253.A N GLU 237.A O no hydrogen 2.799 N/A GLY 255.A N ASN 239.A O no hydrogen 2.927 N/A CYS 257.A N GLU 32.A OE2 no hydrogen 2.526 N/A CYS 257.A SG PHE 238.A O no hydrogen 3.622 N/A GLY 258.A N GLU 32.A OE1 no hydrogen 2.879 N/A THR 259.A N PRO 256.A O no hydrogen 2.954 N/A THR 260.A N PRO 256.A O no hydrogen 3.151 N/A THR 260.A OG1 PRO 256.A O no hydrogen 3.228 N/A LEU 261.A N CYS 257.A O no hydrogen 3.034 N/A ALA 264.A N THR 260.A O no hydrogen 3.017 N/A LEU 265.A N LEU 261.A O no hydrogen 2.728 N/A ALA 266.A N GLU 263.A O no hydrogen 3.209 N/A