Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fol_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 2.858 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.326 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.915 N/A LEU 5.A N CYS 101.A O no hydrogen 2.962 N/A ARG 6.A N TYR 27.A O no hydrogen 3.110 N/A ARG 6.A NE TYR 113.A OH no hydrogen 2.920 N/A ARG 6.A NH1 GLU 102.A OE2 no hydrogen 2.830 N/A ARG 6.A NH2 ASP 30.A OD1 no hydrogen 2.969 N/A TYR 7.A N ARG 99.A O no hydrogen 2.776 N/A PHE 8.A N VAL 25.A O no hydrogen 2.696 N/A VAL 9.A N ARG 97.A O no hydrogen 2.955 N/A THR 10.A N MET 23.A O no hydrogen 2.702 N/A ALA 11.A N ILE 95.A O no hydrogen 2.778 N/A VAL 12.A N ARG 21.A O no hydrogen 3.071 N/A SER 13.A N HIS 93.A O no hydrogen 2.938 N/A SER 13.A OG HIS 93.A O no hydrogen 3.002 N/A ARG 21.A N VAL 12.A O no hydrogen 3.073 N/A TYR 22.A OH GLU 24.A OE2 no hydrogen 2.492 N/A MET 23.A N THR 10.A O no hydrogen 2.996 N/A GLU 24.A N PHE 36.A O no hydrogen 2.961 N/A VAL 25.A N PHE 8.A O no hydrogen 2.869 N/A GLY 26.A N VAL 34.A O no hydrogen 2.962 N/A TYR 27.A N ARG 6.A O no hydrogen 2.810 N/A VAL 28.A N THR 31.A O no hydrogen 3.004 N/A ASP 29.A N SER 4.A O no hydrogen 2.995 N/A THR 31.A N VAL 28.A O no hydrogen 2.917 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 3.071 N/A PHE 33.A N GLY 26.A O no hydrogen 3.064 N/A ARG 35.A N GLU 46.A O no hydrogen 3.209 N/A ARG 35.A NE GLU 32.A OE1 no hydrogen 3.201 N/A ARG 35.A NH2 GLU 32.A OE2 no hydrogen 2.957 N/A PHE 36.A N GLU 24.A O no hydrogen 2.721 N/A SER 38.A N TYR 22.A O no hydrogen 2.639 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.801 N/A TYR 45.A N THR 64.A OG1 no hydrogen 2.892 N/A ARG 48.A N PHE 33.A O no hydrogen 2.816 N/A MET 52.A N THR 49.A O no hydrogen 3.272 N/A GLU 53.A N PRO 50.A O no hydrogen 3.295 N/A TYR 59.A N GLU 56.A O no hydrogen 2.619 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.562 N/A GLY 62.A N GLU 58.A O no hydrogen 3.130 N/A GLN 63.A N TYR 59.A O no hydrogen 3.049 N/A THR 64.A N TRP 60.A O no hydrogen 2.688 N/A GLN 65.A N GLU 61.A O no hydrogen 3.133 N/A GLN 65.A N GLY 62.A O no hydrogen 3.083 N/A GLN 65.A NE2 GLU 61.A O no hydrogen 3.630 N/A ILE 66.A N GLY 62.A O no hydrogen 3.229 N/A ALA 67.A N GLN 63.A O no hydrogen 3.025 N/A LYS 68.A N THR 64.A O no hydrogen 3.136 N/A LYS 68.A NZ PRO 43.A O no hydrogen 3.265 N/A GLY 69.A N GLN 65.A O no hydrogen 3.118 N/A ASN 70.A N ILE 66.A O no hydrogen 2.870 N/A ASN 70.A ND2 GLU 24.A OE1 no hydrogen 3.544 N/A GLU 71.A N ALA 67.A O no hydrogen 2.632 N/A GLN 72.A N LYS 68.A O no hydrogen 2.975 N/A SER 73.A N GLY 69.A O no hydrogen 3.033 N/A SER 73.A OG GLY 69.A O no hydrogen 3.570 N/A SER 74.A N ASN 70.A O no hydrogen 2.966 N/A SER 74.A N GLU 71.A O no hydrogen 2.872 N/A SER 74.A OG ASN 70.A O no hydrogen 3.293 N/A ARG 75.A N GLU 71.A O no hydrogen 3.192 N/A VAL 76.A N GLN 72.A O no hydrogen 3.410 N/A ASP 77.A N SER 73.A O no hydrogen 2.624 N/A LEU 78.A N SER 74.A O no hydrogen 2.835 N/A ARG 79.A N ARG 75.A O no hydrogen 3.224 N/A THR 80.A N VAL 76.A O no hydrogen 2.853 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.862 N/A ALA 81.A N ASP 77.A O no hydrogen 2.705 N/A LEU 82.A N LEU 78.A O no hydrogen 3.054 N/A ARG 83.A N ARG 79.A O no hydrogen 3.357 N/A ARG 83.A N THR 80.A O no hydrogen 2.923 N/A TYR 84.A N THR 80.A O no hydrogen 2.925 N/A TYR 85.A N ALA 81.A O no hydrogen 3.065 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.698 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 3.409 N/A ASN 86.A N ARG 83.A O no hydrogen 3.280 N/A GLN 87.A N LEU 82.A O no hydrogen 3.012 N/A GLN 87.A NE2 ASP 119.A OD2 no hydrogen 3.436 N/A SER 92.A OG SER 13.A O no hydrogen 2.780 N/A HIS 93.A N SER 13.A OG no hydrogen 2.694 N/A HIS 93.A ND1 ASP 119.A OD1 no hydrogen 3.087 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.791 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.120 N/A ILE 95.A N ALA 11.A O no hydrogen 2.937 N/A GLN 96.A N ALA 117.A O no hydrogen 2.778 N/A ARG 97.A N VAL 9.A O no hydrogen 2.984 N/A ARG 97.A NH2 ASP 77.A OD2 no hydrogen 3.283 N/A MET 98.A N GLN 115.A O no hydrogen 2.829 N/A ARG 99.A N TYR 7.A O no hydrogen 3.290 N/A GLY 100.A N TYR 113.A O no hydrogen 3.326 N/A CYS 101.A N LEU 5.A O no hydrogen 2.947 N/A CYS 101.A SG LEU 160.A O no hydrogen 4.002 N/A GLU 102.A N ARG 111.A O no hydrogen 3.007 N/A VAL 103.A N HIS 3.A O no hydrogen 2.846 N/A GLY 104.A N ARG 108.A O no hydrogen 3.044 N/A GLY 107.A N GLY 104.A O no hydrogen 3.088 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.356 N/A LEU 110.A N GLU 102.A O no hydrogen 2.718 N/A ARG 111.A N GLU 102.A O no hydrogen 3.161 N/A ARG 111.A NH2 GLU 102.A OE2 no hydrogen 2.644 N/A TYR 113.A N GLY 100.A O no hydrogen 3.332 N/A GLN 115.A N MET 98.A O no hydrogen 2.949 N/A VAL 116.A N ILE 124.A O no hydrogen 2.637 N/A ALA 117.A N GLN 96.A O no hydrogen 2.829 N/A TYR 118.A N ARG 121.A O no hydrogen 2.905 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.134 N/A ASP 119.A N THR 94.A O no hydrogen 2.779 N/A ARG 121.A N TYR 118.A O no hydrogen 2.917 N/A TYR 123.A N VAL 116.A O no hydrogen 2.915 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.827 N/A ILE 124.A N VAL 116.A O no hydrogen 3.289 N/A ALA 125.A N THR 134.A O no hydrogen 3.047 N/A LEU 126.A N GLN 114.A O no hydrogen 2.742 N/A ASN 127.A N THR 132.A O no hydrogen 2.839 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.881 N/A LEU 130.A N ASN 127.A O no hydrogen 2.770 N/A LYS 131.A N ASP 129.A OD2 no hydrogen 3.105 N/A LYS 131.A NZ ASP 129.A OD1 no hydrogen 3.272 N/A THR 132.A N ASP 129.A OD2 no hydrogen 3.077 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 2.753 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.868 N/A THR 134.A N ALA 125.A O no hydrogen 2.887 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.569 N/A ALA 136.A N TYR 123.A O no hydrogen 2.622 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 3.030 N/A ILE 142.A N ALA 139.A O no hydrogen 2.768 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.827 N/A LYS 144.A N ALA 140.A O no hydrogen 2.879 N/A HIS 145.A N LEU 141.A O no hydrogen 3.062 N/A LYS 146.A N ILE 142.A O no hydrogen 3.077 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.826 N/A TRP 147.A N THR 143.A O no hydrogen 2.638 N/A GLU 148.A N LYS 144.A O no hydrogen 2.787 N/A GLN 149.A N HIS 145.A O no hydrogen 2.893 N/A ALA 150.A N LYS 146.A O no hydrogen 2.775 N/A GLY 151.A N GLU 148.A O no hydrogen 3.446 N/A ALA 152.A N TRP 147.A O no hydrogen 3.117 N/A ARG 155.A NH1 ALA 150.A O no hydrogen 3.069 N/A ARG 155.A NH2 ALA 150.A O no hydrogen 2.746 N/A ASP 156.A N ALA 152.A O no hydrogen 3.120 N/A ARG 157.A N ALA 153.A O no hydrogen 2.957 N/A ALA 158.A N GLU 154.A O no hydrogen 2.958 N/A ALA 158.A N ARG 155.A O no hydrogen 3.207 N/A TYR 159.A N ARG 155.A O no hydrogen 3.106 N/A LEU 160.A N ASP 156.A O no hydrogen 2.855 N/A GLU 161.A N ARG 157.A O no hydrogen 3.120 N/A GLY 162.A N TYR 159.A O no hydrogen 2.977 N/A CYS 164.A N TYR 159.A O no hydrogen 2.967 N/A GLU 166.A N GLY 162.A O no hydrogen 3.154 N/A TRP 167.A N ALA 163.A O no hydrogen 2.869 N/A LEU 168.A N CYS 164.A O no hydrogen 2.666 N/A ARG 169.A N VAL 165.A O no hydrogen 2.848 N/A ARG 170.A N GLU 166.A O no hydrogen 3.176 N/A ARG 170.A NH2 GLU 56.A OE2 no hydrogen 2.291 N/A TYR 171.A N TRP 167.A O no hydrogen 2.686 N/A TYR 171.A N LEU 168.A O no hydrogen 2.898 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.562 N/A LEU 172.A N LEU 168.A O no hydrogen 3.051 N/A GLU 173.A N ARG 169.A O no hydrogen 3.214 N/A LEU 174.A N ARG 170.A O no hydrogen 3.235 N/A GLY 175.A N TYR 171.A O no hydrogen 3.011 N/A ASN 176.A N GLU 173.A O no hydrogen 3.417 N/A THR 178.A N GLY 175.A O no hydrogen 3.249 N/A LEU 179.A N GLY 175.A O no hydrogen 3.180 N/A ARG 181.A N THR 178.A O no hydrogen 3.356 N/A ASP 183.A N TYR 209.A O no hydrogen 2.752 N/A LYS 186.A N LEU 206.A O no hydrogen 2.722 N/A HIS 188.A N TRP 204.A O no hydrogen 3.244 N/A THR 190.A N ARG 202.A O no hydrogen 2.834 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 3.416 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 2.747 N/A HIS 192.A N THR 200.A O no hydrogen 3.093 N/A ASP 197.A N ARG 194.A O no hydrogen 3.308 N/A LYS 198.A N ARG 194.A O no hydrogen 3.525 N/A VAL 199.A N VAL 249.A O no hydrogen 2.769 N/A THR 200.A N HIS 192.A O no hydrogen 3.001 N/A LEU 201.A N VAL 247.A O no hydrogen 2.929 N/A ARG 202.A N THR 190.A O no hydrogen 3.187 N/A CYS 203.A N ALA 245.A O no hydrogen 2.736 N/A TRP 204.A N HIS 188.A O no hydrogen 2.712 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 2.987 N/A ALA 205.A N LYS 243.A O no hydrogen 2.980 N/A LEU 206.A N LYS 186.A O no hydrogen 2.863 N/A GLY 207.A N PHE 241.A O no hydrogen 3.130 N/A TYR 209.A N ASP 183.A O no hydrogen 2.850 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 3.071 N/A THR 214.A N TYR 262.A O no hydrogen 2.926 N/A THR 216.A N HIS 260.A O no hydrogen 3.112 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.761 N/A GLN 218.A N THR 258.A O no hydrogen 2.869 N/A ASN 220.A N ASN 256.A O no hydrogen 3.350 N/A GLU 223.A N GLU 222.A OE1 no hydrogen 2.703 N/A VAL 231.A N TRP 244.A O no hydrogen 3.378 N/A ARG 234.A N GLN 242.A O no hydrogen 2.981 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.999 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 2.810 N/A ALA 236.A N THR 240.A O no hydrogen 3.089 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.913 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.513 N/A PHE 241.A N PHE 208.A O no hydrogen 2.832 N/A GLN 242.A N ARG 234.A O no hydrogen 2.797 N/A LYS 243.A N ALA 205.A O no hydrogen 3.072 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.701 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.329 N/A ALA 245.A N CYS 203.A O no hydrogen 3.075 N/A SER 246.A N GLU 229.A O no hydrogen 2.752 N/A SER 246.A OG GLU 229.A O no hydrogen 3.341 N/A VAL 247.A N LEU 201.A O no hydrogen 2.918 N/A VAL 249.A N VAL 199.A O no hydrogen 2.763 N/A LEU 251.A N ASP 197.A O no hydrogen 2.950 N/A LYS 253.A N PRO 250.A O no hydrogen 2.981 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.570 N/A ASN 256.A N LYS 253.A O no hydrogen 3.347 N/A ASN 256.A ND2 LYS 253.A O no hydrogen 2.931 N/A TYR 257.A N GLU 254.A O no hydrogen 3.143 N/A THR 258.A N GLN 218.A O no hydrogen 2.983 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.775 N/A CYS 259.A N LEU 272.A O no hydrogen 2.822 N/A CYS 259.A SG THR 216.A O no hydrogen 3.999 N/A HIS 260.A N THR 216.A O no hydrogen 2.895 N/A HIS 260.A NE2 THR 258.A OG1 no hydrogen 2.775 N/A VAL 261.A N LEU 270.A O no hydrogen 3.070 N/A TYR 262.A N THR 214.A O no hydrogen 2.813 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.800 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.160 N/A LEU 266.A N HIS 263.A O no hydrogen 3.292 N/A LEU 272.A N CYS 259.A O no hydrogen 2.619 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 2.990 N/A