Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1h4k_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N GLU 24.A OE1 no hydrogen 3.192 N/A PHE 4.A N MET 1.A O no hydrogen 3.136 N/A ALA 5.A N ASP 2.A O no hydrogen 3.107 N/A LEU 7.A N PHE 4.A O no hydrogen 2.835 N/A ILE 11.A N TYR 112.A O no hydrogen 2.891 N/A GLU 12.A N ASP 15.A OD2 no hydrogen 2.932 N/A LEU 16.A N GLU 12.A O no hydrogen 3.190 N/A GLN 17.A N PRO 13.A O no hydrogen 2.810 N/A ALA 18.A N ALA 14.A O no hydrogen 3.242 N/A ARG 19.A N LEU 16.A O no hydrogen 2.849 N/A ARG 19.A NE ASP 3.A O no hydrogen 2.670 N/A ARG 19.A NH2 ASP 15.A O no hydrogen 2.835 N/A ALA 22.A N ARG 19.A O no hydrogen 2.928 N/A GLU 24.A N GLU 24.A OE2 no hydrogen 2.588 N/A LEU 25.A N ALA 22.A O no hydrogen 3.267 N/A ILE 26.A N VAL 83.A O no hydrogen 2.991 N/A VAL 28.A N VAL 85.A O no hydrogen 2.888 N/A ASP 29.A N ARG 45.A O no hydrogen 2.811 N/A LEU 30.A N TYR 87.A O no hydrogen 2.856 N/A THR 31.A N ASP 29.A OD2 no hydrogen 2.838 N/A THR 31.A OG1 ASP 29.A OD2 no hydrogen 2.731 N/A THR 31.A OG1 SER 32.A O no hydrogen 3.326 N/A SER 32.A N THR 31.A OG1 no hydrogen 2.532 N/A ARG 35.A N SER 32.A OG no hydrogen 3.038 N/A ARG 35.A NE ARG 35.A O no hydrogen 2.774 N/A ARG 35.A NH2 GLY 39.A O no hydrogen 2.890 N/A TYR 36.A N SER 32.A O no hydrogen 2.743 N/A TYR 36.A OH ALA 44.A O no hydrogen 2.615 N/A ALA 37.A N ALA 33.A O no hydrogen 2.958 N/A GLU 38.A N ALA 34.A O no hydrogen 2.851 N/A GLY 39.A N ARG 35.A O no hydrogen 3.125 N/A HIS 40.A N SER 128.A O no hydrogen 2.790 N/A HIS 40.A ND1 TYR 36.A O no hydrogen 2.703 N/A HIS 40.A NE2 GLU 130.A O no hydrogen 2.860 N/A ILE 41.A N TYR 87.A OH no hydrogen 3.104 N/A ALA 44.A N ILE 41.A O no hydrogen 2.907 N/A ARG 45.A N LEU 27.A O no hydrogen 2.704 N/A ARG 45.A NH1 ALA 133.A O no hydrogen 2.803 N/A VAL 47.A N ASP 29.A O no hydrogen 2.934 N/A LYS 50.A N ASP 48.A OD2 no hydrogen 2.883 N/A ARG 51.A N ASP 48.A O no hydrogen 2.737 N/A ARG 51.A NH1 GLU 75.A OE2 no hydrogen 3.513 N/A ARG 51.A NH2 GLU 75.A OE2 no hydrogen 2.927 N/A THR 52.A N PRO 49.A O no hydrogen 3.009 N/A THR 52.A OG1 PRO 49.A O no hydrogen 2.701 N/A GLN 53.A N LYS 50.A O no hydrogen 3.201 N/A GLN 53.A NE2 THR 232.A O no hydrogen 3.446 N/A LEU 54.A N LEU 62.A O no hydrogen 2.957 N/A GLY 55.A N PRO 60.A O no hydrogen 3.118 N/A LEU 62.A N ALA 59.A O no hydrogen 3.338 N/A ARG 66.A NH1 LEU 141.A O no hydrogen 2.758 N/A LEU 69.A N PRO 65.A O no hydrogen 3.232 N/A GLU 70.A N ARG 66.A O no hydrogen 2.890 N/A SER 71.A N GLU 67.A O no hydrogen 3.096 N/A SER 71.A OG GLU 67.A O no hydrogen 3.170 N/A LEU 72.A N GLN 68.A O no hydrogen 2.823 N/A PHE 73.A N LEU 69.A O no hydrogen 2.925 N/A GLY 74.A N GLU 70.A O no hydrogen 3.031 N/A GLU 75.A N SER 71.A O no hydrogen 2.940 N/A LEU 76.A N LEU 72.A O no hydrogen 3.014 N/A GLY 77.A N PHE 73.A O no hydrogen 3.040 N/A GLY 77.A N GLY 74.A O no hydrogen 3.223 N/A HIS 78.A N PHE 73.A O no hydrogen 2.898 N/A HIS 78.A ND1 TYR 84.A OH no hydrogen 2.790 N/A ARG 79.A NH1 GLY 77.A O no hydrogen 2.736 N/A ARG 79.A NH2 PRO 23.A O no hydrogen 2.982 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.435 N/A ALA 82.A N ARG 79.A O no hydrogen 3.004 N/A VAL 83.A N GLU 24.A O no hydrogen 2.909 N/A TYR 84.A N ARG 109.A O no hydrogen 3.112 N/A TYR 84.A OH HIS 78.A ND1 no hydrogen 2.790 N/A VAL 85.A N ILE 26.A O no hydrogen 3.340 N/A VAL 86.A N HIS 111.A O no hydrogen 2.850 N/A TYR 87.A N VAL 28.A O no hydrogen 3.042 N/A TYR 87.A OH ASP 29.A OD1 no hydrogen 2.577 N/A GLU 90.A N ASP 88.A OD2 no hydrogen 2.981 N/A GLY 92.A N ASP 88.A OD2 no hydrogen 2.890 N/A TRP 94.A N GLU 90.A OE2 no hydrogen 2.958 N/A ALA 95.A N ASP 88.A OD1 no hydrogen 2.980 N/A GLY 96.A N GLY 92.A O no hydrogen 2.801 N/A ARG 97.A N GLY 93.A O no hydrogen 3.014 N/A ARG 97.A NE THR 52.A O no hydrogen 3.067 N/A ARG 97.A NE THR 52.A OG1 no hydrogen 3.072 N/A ARG 97.A NH1 GLY 61.A O no hydrogen 3.034 N/A ARG 97.A NH1 HIS 233.A O no hydrogen 2.960 N/A ARG 97.A NH2 THR 52.A O no hydrogen 2.859 N/A ARG 97.A NH2 GLY 61.A O no hydrogen 2.711 N/A PHE 98.A N TRP 94.A O no hydrogen 2.896 N/A ILE 99.A N ALA 95.A O no hydrogen 2.995 N/A TRP 100.A N GLY 96.A O no hydrogen 3.020 N/A TRP 100.A NE1 THR 148.A OG1 no hydrogen 3.085 N/A LEU 101.A N ARG 97.A O no hydrogen 2.997 N/A LEU 102.A N PHE 98.A O no hydrogen 2.815 N/A ASP 103.A N ILE 99.A O no hydrogen 2.972 N/A VAL 104.A N TRP 100.A O no hydrogen 2.893 N/A ILE 105.A N LEU 101.A O no hydrogen 2.933 N/A GLY 106.A N ASP 103.A O no hydrogen 3.056 N/A GLN 107.A N LEU 102.A O no hydrogen 2.872 N/A GLN 107.A NE2 ALA 82.A O no hydrogen 2.944 N/A GLN 107.A NE2 ARG 109.A O no hydrogen 2.790 N/A TYR 110.A OH ASP 103.A OD1 no hydrogen 2.610 N/A HIS 111.A N TYR 84.A O no hydrogen 2.632 N/A TYR 112.A N LEU 9.A O no hydrogen 2.906 N/A LEU 113.A N VAL 86.A O no hydrogen 3.049 N/A ASN 114.A N ILE 11.A O no hydrogen 2.832 N/A ASN 114.A ND2 GLU 12.A OE1 no hydrogen 2.948 N/A GLY 116.A N LEU 113.A O no hydrogen 2.775 N/A LEU 117.A N ASP 88.A O no hydrogen 2.942 N/A ALA 119.A N GLY 115.A O no hydrogen 2.983 N/A TRP 120.A N GLY 116.A O no hydrogen 3.077 N/A TRP 120.A NE1 PRO 126.A O no hydrogen 2.751 N/A LEU 121.A N LEU 117.A O no hydrogen 2.697 N/A ALA 122.A N THR 118.A O no hydrogen 2.889 N/A GLU 123.A N ALA 119.A O no hydrogen 3.208 N/A ASP 124.A N LEU 121.A O no hydrogen 2.760 N/A ARG 125.A N TRP 120.A O no hydrogen 3.206 N/A ARG 125.A NE GLU 123.A OE1 no hydrogen 2.671 N/A ARG 125.A NH1 GLN 17.A OE1 no hydrogen 2.747 N/A ARG 125.A NH2 GLU 123.A OE1 no hydrogen 3.004 N/A SER 128.A N HIS 40.A O no hydrogen 2.700 N/A ARG 129.A NE ALA 37.A O no hydrogen 2.834 N/A GLU 130.A N SER 128.A OG no hydrogen 3.050 N/A ALA 135.A N GLU 75.A O no hydrogen 2.971 N/A GLY 136.A N GLY 74.A O no hydrogen 3.297 N/A VAL 139.A N GLU 70.A O no hydrogen 3.086 N/A LEU 141.A N GLU 70.A OE2 no hydrogen 3.199 N/A HIS 144.A N VAL 104.A O no hydrogen 2.663 N/A THR 148.A N ASP 145.A O no hydrogen 2.820 N/A ALA 149.A N GLY 253.A O no hydrogen 2.967 N/A ARG 151.A NH1 GLU 260.A OE2 no hydrogen 3.088 N/A TYR 153.A N SER 150.A OG no hydrogen 3.090 N/A TYR 153.A OH GLU 225.A OE1 no hydrogen 3.239 N/A TYR 153.A OH GLU 225.A OE2 no hydrogen 2.480 N/A LEU 154.A N SER 150.A O no hydrogen 3.103 N/A LEU 155.A N ARG 151.A O no hydrogen 2.943 N/A GLY 156.A N ASP 152.A O no hydrogen 3.039 N/A ARG 157.A N LEU 154.A O no hydrogen 3.005 N/A ARG 157.A NE GLU 225.A OE1 no hydrogen 2.906 N/A ARG 157.A NH1 ASP 162.A OD1 no hydrogen 3.334 N/A ARG 157.A NH2 ASP 162.A O no hydrogen 3.484 N/A ARG 157.A NH2 ASP 162.A OD1 no hydrogen 3.533 N/A ARG 157.A NH2 ASP 162.A OD2 no hydrogen 3.524 N/A ARG 157.A NH2 GLU 225.A OE1 no hydrogen 2.842 N/A LEU 158.A N LEU 154.A O no hydrogen 3.038 N/A ALA 160.A N ARG 157.A O no hydrogen 2.918 N/A ALA 164.A N GLU 225.A O no hydrogen 2.988 N/A TRP 166.A N VAL 227.A O no hydrogen 2.842 N/A TRP 166.A NE1 PHE 193.A O no hydrogen 2.864 N/A ASP 167.A N VAL 191.A O no hydrogen 2.911 N/A ALA 168.A N HIS 229.A O no hydrogen 2.893 N/A ARG 169.A N ASP 167.A OD2 no hydrogen 3.071 N/A ARG 169.A NE ASP 167.A OD1 no hydrogen 3.145 N/A ARG 169.A NE ASP 167.A OD2 no hydrogen 2.886 N/A ARG 169.A NH1 GLY 185.A O no hydrogen 3.384 N/A ARG 169.A NH2 ASP 167.A OD1 no hydrogen 2.611 N/A ARG 169.A NH2 GLY 185.A O no hydrogen 2.712 N/A SER 170.A N GLU 173.A OE2 no hydrogen 3.347 N/A SER 170.A OG GLU 173.A OE2 no hydrogen 2.745 N/A GLN 172.A N GLN 172.A OE1 no hydrogen 2.761 N/A GLU 173.A N SER 170.A O no hydrogen 2.993 N/A TYR 174.A N SER 170.A O no hydrogen 3.014 N/A TYR 174.A OH ALA 190.A O no hydrogen 2.501 N/A ARG 175.A N PRO 171.A O no hydrogen 2.878 N/A ARG 175.A NE GLU 177.A OE1 no hydrogen 2.713 N/A ARG 175.A NH2 GLU 177.A OE2 no hydrogen 3.222 N/A GLY 176.A N GLU 173.A O no hydrogen 2.938 N/A GLU 177.A N GLN 172.A O no hydrogen 2.730 N/A LYS 178.A N GLN 172.A O no hydrogen 3.050 N/A ALA 182.A N ASN 263.A OD1 no hydrogen 2.883 N/A LYS 183.A N GLY 262.A O no hydrogen 2.849 N/A LYS 183.A NZ TRP 261.A O no hydrogen 3.485 N/A LYS 183.A NZ HIS 264.A O no hydrogen 2.514 N/A LYS 183.A NZ THR 267.A O no hydrogen 2.704 N/A LYS 183.A NZ THR 267.A OG1 no hydrogen 2.872 N/A HIS 186.A N GLU 270.A O no hydrogen 2.767 N/A HIS 186.A ND1 TYR 174.A O no hydrogen 2.623 N/A HIS 186.A NE2 GLU 270.A OE2 no hydrogen 3.069 N/A GLY 189.A N GLU 270.A OE2 no hydrogen 3.211 N/A ALA 190.A N ILE 187.A O no hydrogen 2.918 N/A VAL 191.A N ILE 165.A O no hydrogen 2.872 N/A PHE 193.A N ASP 167.A O no hydrogen 3.057 N/A TRP 195.A N ALA 168.A O no hydrogen 3.112 N/A ALA 197.A N GLU 194.A O no hydrogen 2.864 N/A ALA 198.A N TRP 195.A O no hydrogen 3.084 N/A MET 199.A N THR 196.A O no hydrogen 3.257 N/A ASP 200.A N ARG 206.A O no hydrogen 2.895 N/A SER 202.A N ASP 200.A OD1 no hydrogen 2.852 N/A SER 202.A OG ASP 200.A OD1 no hydrogen 2.569 N/A SER 202.A OG ASP 200.A OD2 no hydrogen 3.240 N/A ARG 203.A N ASP 200.A O no hydrogen 2.800 N/A ARG 203.A NH1 ILE 207.A O no hydrogen 3.104 N/A LEU 205.A N ASP 200.A O no hydrogen 3.090 N/A ARG 206.A N ARG 203.A O no hydrogen 3.085 N/A ARG 206.A NE GLU 12.A OE2 no hydrogen 2.599 N/A ARG 206.A NH1 ARG 203.A O no hydrogen 3.276 N/A ARG 206.A NH2 GLU 12.A OE2 no hydrogen 3.147 N/A ARG 206.A NH2 GLU 123.A OE2 no hydrogen 3.402 N/A ILE 207.A N ASN 114.A OD1 no hydrogen 2.997 N/A ARG 208.A N ALA 198.A O no hydrogen 2.913 N/A ARG 208.A NE ASP 210.A OD1 no hydrogen 3.414 N/A ARG 208.A NE ASP 210.A OD2 no hydrogen 2.749 N/A ARG 208.A NH1 ALA 197.A O no hydrogen 2.734 N/A ARG 208.A NH2 ASP 210.A OD1 no hydrogen 2.971 N/A ILE 211.A N ARG 208.A O no hydrogen 3.086 N/A ARG 214.A N ASP 210.A O no hydrogen 3.406 N/A ARG 214.A NE GLU 217.A OE1 no hydrogen 2.997 N/A ARG 214.A NH1 ASP 210.A OD1 no hydrogen 2.913 N/A ARG 214.A NH2 GLU 217.A OE2 no hydrogen 2.881 N/A LEU 215.A N ILE 211.A O no hydrogen 3.033 N/A GLU 216.A N ALA 212.A O no hydrogen 2.951 N/A GLU 217.A N GLY 213.A O no hydrogen 3.033 N/A LEU 218.A N LEU 215.A O no hydrogen 2.968 N/A GLY 219.A N GLU 216.A O no hydrogen 3.015 N/A ILE 220.A N LEU 215.A O no hydrogen 3.024 N/A THR 221.A N GLY 219.A O no hydrogen 2.977 N/A THR 221.A OG1 ASP 223.A OD2 no hydrogen 2.502 N/A LYS 224.A N THR 221.A O no hydrogen 2.917 N/A LYS 224.A NZ GLY 219.A O no hydrogen 3.311 N/A GLU 225.A N ASP 162.A O no hydrogen 2.793 N/A ILE 226.A N ARG 250.A O no hydrogen 2.791 N/A VAL 227.A N ALA 164.A O no hydrogen 3.083 N/A THR 228.A N LYS 252.A O no hydrogen 3.010 N/A THR 228.A OG1 TRP 166.A O no hydrogen 2.975 N/A THR 228.A OG1 THR 239.A OG1 no hydrogen 2.574 N/A HIS 229.A N TRP 166.A O no hydrogen 3.095 N/A HIS 229.A ND1 CYS 230.A O no hydrogen 2.959 N/A CYS 230.A SG SER 236.A OG no hydrogen 3.589 N/A HIS 234.A NE2 GLU 90.A OE2 no hydrogen 2.592 N/A ARG 235.A NH1 GLU 173.A OE2 no hydrogen 3.117 N/A ARG 235.A NH2 GLU 173.A OE1 no hydrogen 3.248 N/A GLY 237.A N HIS 234.A O no hydrogen 2.846 N/A LEU 238.A N ARG 235.A O no hydrogen 3.144 N/A THR 239.A OG1 THR 228.A OG1 no hydrogen 2.574 N/A THR 239.A OG1 SER 236.A O no hydrogen 3.030 N/A TYR 240.A N SER 236.A O no hydrogen 3.021 N/A TYR 240.A OH ASP 103.A OD2 no hydrogen 2.524 N/A LEU 241.A N GLY 237.A O no hydrogen 3.046 N/A ILE 242.A N LEU 238.A O no hydrogen 2.800 N/A ALA 243.A N THR 239.A O no hydrogen 3.030 N/A LYS 244.A N TYR 240.A O no hydrogen 3.158 N/A ALA 245.A N LEU 241.A O no hydrogen 2.812 N/A LEU 246.A N ILE 242.A O no hydrogen 2.963 N/A GLY 247.A N LYS 244.A O no hydrogen 2.944 N/A TYR 248.A N ALA 243.A O no hydrogen 3.043 N/A TYR 248.A OH ILE 220.A O no hydrogen 2.623 N/A ARG 250.A NH1 ASP 162.A OD2 no hydrogen 3.141 N/A ARG 250.A NH2 ASP 162.A OD2 no hydrogen 3.437 N/A ARG 250.A NH2 ASP 223.A O no hydrogen 3.167 N/A LYS 252.A N ILE 226.A O no hydrogen 2.775 N/A LYS 252.A NZ GLU 146.A O no hydrogen 2.636 N/A GLY 253.A N PRO 147.A O no hydrogen 2.866 N/A TYR 254.A N THR 228.A O no hydrogen 2.924 N/A TYR 254.A OH GLU 260.A OE1 no hydrogen 2.575 N/A SER 257.A OG TYR 254.A O no hydrogen 2.819 N/A SER 257.A OG ALA 255.A O no hydrogen 3.484 N/A TRP 258.A N CYS 230.A O no hydrogen 2.945 N/A TRP 258.A NE1 LYS 183.A O no hydrogen 3.060 N/A GLY 259.A N GLN 231.A O no hydrogen 2.800 N/A GLU 260.A N SER 257.A O no hydrogen 2.917 N/A TRP 261.A N SER 257.A O no hydrogen 2.926 N/A TRP 261.A NE1 PRO 268.A O no hydrogen 2.894 N/A GLY 262.A N TRP 258.A O no hydrogen 2.782 N/A ASN 263.A N GLU 260.A O no hydrogen 2.858 N/A ASN 263.A ND2 GLY 259.A O no hydrogen 2.853 N/A HIS 264.A N GLU 260.A O no hydrogen 2.786 N/A ASP 266.A N HIS 264.A ND1 no hydrogen 3.015 N/A THR 267.A OG1 TRP 261.A O no hydrogen 2.428 N/A THR 267.A OG1 HIS 264.A O no hydrogen 2.953 N/A GLU 270.A N HIS 186.A O no hydrogen 2.744 N/A