Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8k57_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N ASP 4.A OD1 no hydrogen 3.113 N/A ALA 10.A N ALA 7.A O no hydrogen 3.311 N/A TYR 12.A N PHE 9.A O no hydrogen 2.928 N/A TYR 12.A OH ARG 220.A O no hydrogen 2.620 N/A ALA 13.A N LEU 261.A O no hydrogen 3.167 N/A HIS 14.A N HIS 260.A O no hydrogen 2.822 N/A HIS 14.A ND1 HIS 260.A ND1 no hydrogen 2.855 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.724 N/A ARG 17.A N HIS 14.A O no hydrogen 2.994 N/A ARG 17.A NH1 VAL 117.A O no hydrogen 2.877 N/A LEU 18.A N PRO 15.A O no hydrogen 3.129 N/A VAL 19.A N LEU 119.A O no hydrogen 3.017 N/A SER 20.A N ASP 4.A OD2 no hydrogen 2.761 N/A SER 20.A OG ASP 4.A OD2 no hydrogen 2.498 N/A THR 21.A OG1 GLU 130.A OE1 no hydrogen 2.845 N/A THR 21.A OG1 GLU 130.A OE2 no hydrogen 3.358 N/A TRP 23.A N SER 20.A OG no hydrogen 3.279 N/A LEU 24.A N SER 20.A O no hydrogen 3.010 N/A ALA 25.A N THR 21.A O no hydrogen 2.913 N/A ALA 26.A N GLU 22.A O no hydrogen 3.145 N/A HIS 27.A N LEU 24.A O no hydrogen 2.850 N/A HIS 27.A ND1 TRP 23.A O no hydrogen 2.735 N/A HIS 27.A NE2 ASP 2.A OD1 no hydrogen 2.714 N/A ASP 30.A N HIS 27.A O no hydrogen 3.002 N/A LEU 33.A N ASP 30.A O no hydrogen 3.431 N/A VAL 34.A N THR 90.A O no hydrogen 2.964 N/A VAL 36.A N VAL 92.A O no hydrogen 2.786 N/A GLU 37.A N VAL 54.A O no hydrogen 2.645 N/A SER 38.A N TYR 94.A O no hydrogen 3.036 N/A SER 38.A OG TRP 101.A O no hydrogen 2.635 N/A GLU 40.A N ASP 96.A OD1 no hydrogen 3.008 N/A ASP 41.A N ASP 96.A OD2 no hydrogen 2.970 N/A LEU 43.A N ASP 41.A OD1 no hydrogen 3.189 N/A LEU 44.A N ASP 41.A O no hydrogen 3.195 N/A TYR 45.A OH ALA 53.A O no hydrogen 2.624 N/A THR 47.A N LEU 44.A O no hydrogen 2.830 N/A THR 47.A OG1 LEU 44.A O no hydrogen 2.558 N/A GLY 48.A N TYR 45.A O no hydrogen 3.146 N/A HIS 49.A N THR 135.A O no hydrogen 3.007 N/A HIS 49.A ND1 TYR 45.A O no hydrogen 2.699 N/A HIS 49.A NE2 ASP 137.A O no hydrogen 3.101 N/A ILE 50.A N TYR 94.A OH no hydrogen 2.907 N/A ALA 53.A N ILE 50.A O no hydrogen 3.032 N/A VAL 54.A N VAL 35.A O no hydrogen 2.961 N/A LYS 55.A NZ GLU 46.A OE2 no hydrogen 2.804 N/A VAL 56.A N GLU 37.A O no hydrogen 3.016 N/A ASP 57.A N ASP 61.A OD2 no hydrogen 2.826 N/A TRP 58.A NE1 GLU 40.A O no hydrogen 2.976 N/A THR 60.A N ASP 57.A O no hydrogen 3.179 N/A THR 60.A N ASP 57.A OD1 no hydrogen 3.183 N/A THR 60.A OG1 ASP 61.A OD1 no hydrogen 2.976 N/A ASP 61.A N ASP 57.A O no hydrogen 2.739 N/A ASN 63.A ND2 TRP 58.A O no hydrogen 3.528 N/A ASN 63.A ND2 GLU 249.A OE2 no hydrogen 3.336 N/A ASP 64.A N ASP 69.A O no hydrogen 2.785 N/A VAL 66.A N ASP 64.A OD1 no hydrogen 3.297 N/A GLN 67.A N ASP 64.A OD1 no hydrogen 3.259 N/A ARG 68.A NH1 GLY 272.A O no hydrogen 3.214 N/A ARG 68.A NH1 THR 275.A OG1 no hydrogen 3.084 N/A ARG 68.A NH2 GLY 272.A O no hydrogen 2.719 N/A ARG 68.A NH2 THR 275.A OG1 no hydrogen 3.184 N/A ASP 69.A N GLN 67.A O no hydrogen 3.196 N/A TYR 70.A OH GLU 249.A OE1 no hydrogen 3.157 N/A TYR 70.A OH GLU 249.A OE2 no hydrogen 3.320 N/A ILE 71.A N LEU 62.A O no hydrogen 2.944 N/A ALA 75.A N ASP 72.A OD1 no hydrogen 3.081 N/A PHE 76.A N ASP 72.A O no hydrogen 3.044 N/A ALA 77.A N GLY 73.A O no hydrogen 2.944 N/A ALA 78.A N ALA 74.A O no hydrogen 3.035 N/A LEU 79.A N ALA 75.A O no hydrogen 2.992 N/A LEU 80.A N PHE 76.A O no hydrogen 3.067 N/A GLY 81.A N ALA 77.A O no hydrogen 3.013 N/A GLU 82.A N ALA 78.A O no hydrogen 3.127 N/A ARG 83.A N LEU 80.A O no hydrogen 3.175 N/A ARG 83.A NE LYS 55.A O no hydrogen 2.955 N/A ARG 83.A NH1 LYS 55.A O no hydrogen 3.311 N/A ARG 83.A NH2 LEU 79.A O no hydrogen 2.896 N/A ARG 83.A NH2 GLU 82.A OE2 no hydrogen 3.165 N/A GLY 84.A N GLY 81.A O no hydrogen 2.958 N/A ILE 85.A N LEU 80.A O no hydrogen 2.932 N/A SER 86.A N THR 89.A OG1 no hydrogen 2.694 N/A ARG 87.A NH1 PHE 112.A O no hydrogen 2.984 N/A ARG 87.A NH1 TYR 146.A OH no hydrogen 2.736 N/A ARG 87.A NH2 PHE 112.A O no hydrogen 3.306 N/A THR 89.A N SER 86.A O no hydrogen 3.028 N/A THR 89.A OG1 SER 86.A O no hydrogen 2.855 N/A THR 90.A N GLY 32.A O no hydrogen 2.826 N/A THR 90.A OG1 ASP 116.A OD2 no hydrogen 2.731 N/A VAL 91.A N ASP 116.A O no hydrogen 2.809 N/A VAL 92.A N VAL 34.A O no hydrogen 3.070 N/A ILE 93.A N ARG 118.A O no hydrogen 2.835 N/A TYR 94.A N VAL 36.A O no hydrogen 2.979 N/A GLY 95.A N ASN 99.A OD1 no hydrogen 2.896 N/A ASP 96.A N ASP 39.A OD1 no hydrogen 2.765 N/A LYS 97.A NZ GLU 40.A OE2 no hydrogen 2.717 N/A ASN 99.A N ASP 96.A O no hydrogen 3.064 N/A ASN 99.A ND2 LEU 120.A O no hydrogen 2.678 N/A TRP 100.A N LYS 97.A O no hydrogen 3.243 N/A TRP 100.A NE1 ARG 250.A O no hydrogen 2.981 N/A ALA 103.A N ASN 99.A O no hydrogen 2.893 N/A ALA 105.A N TRP 101.A O no hydrogen 2.983 N/A LEU 106.A N ALA 102.A O no hydrogen 2.930 N/A TRP 107.A N ALA 103.A O no hydrogen 2.868 N/A TRP 107.A NE1 ILE 156.A O no hydrogen 3.063 N/A VAL 108.A N TYR 104.A O no hydrogen 2.987 N/A PHE 109.A N ALA 105.A O no hydrogen 2.930 N/A THR 110.A N LEU 106.A O no hydrogen 3.032 N/A THR 110.A OG1 LEU 106.A O no hydrogen 2.662 N/A LEU 111.A N TRP 107.A O no hydrogen 3.075 N/A PHE 112.A N VAL 108.A O no hydrogen 3.359 N/A PHE 112.A N PHE 109.A O no hydrogen 2.916 N/A GLY 113.A N THR 110.A O no hydrogen 2.836 N/A HIS 114.A N PHE 109.A O no hydrogen 3.219 N/A HIS 114.A ND1 TYR 146.A OH no hydrogen 2.389 N/A HIS 114.A NE2 THR 89.A O no hydrogen 2.738 N/A VAL 117.A N ASP 115.A O no hydrogen 3.022 N/A ARG 118.A N VAL 91.A O no hydrogen 2.830 N/A ARG 118.A NE ASP 116.A OD1 no hydrogen 2.632 N/A ARG 118.A NH1 ASP 2.A O no hydrogen 2.776 N/A ARG 118.A NH2 VAL 1.A O no hydrogen 3.422 N/A ARG 118.A NH2 ASP 2.A O no hydrogen 3.463 N/A ARG 118.A NH2 ASP 116.A OD1 no hydrogen 3.167 N/A ARG 118.A NH2 ASP 116.A OD2 no hydrogen 2.597 N/A LEU 119.A N ARG 17.A O no hydrogen 2.858 N/A LEU 120.A N ILE 93.A O no hydrogen 3.061 N/A ASP 121.A N VAL 19.A O no hydrogen 3.061 N/A GLY 123.A N LEU 120.A O no hydrogen 2.875 N/A ARG 124.A N GLY 95.A O no hydrogen 3.229 N/A ARG 124.A NH1 GLY 48.A O no hydrogen 2.764 N/A ARG 124.A NH2 GLY 48.A O no hydrogen 3.142 N/A LYS 126.A N GLY 122.A O no hydrogen 2.925 N/A LYS 126.A NZ GLU 130.A OE2 no hydrogen 2.646 N/A TRP 127.A N GLY 123.A O no hydrogen 3.401 N/A TRP 127.A NE1 ALA 133.A O no hydrogen 3.019 N/A GLU 128.A N ARG 124.A O no hydrogen 2.919 N/A ALA 129.A N SER 125.A O no hydrogen 2.899 N/A GLU 130.A N LYS 126.A O no hydrogen 3.278 N/A GLY 131.A N GLU 128.A O no hydrogen 2.816 N/A ARG 132.A N TRP 127.A O no hydrogen 3.016 N/A ARG 132.A NE GLU 130.A OE1 no hydrogen 2.629 N/A ARG 132.A NH2 GLU 130.A OE1 no hydrogen 3.160 N/A TYR 134.A OH GLU 128.A OE2 no hydrogen 2.567 N/A THR 135.A N HIS 49.A O no hydrogen 2.865 N/A ASP 137.A N THR 135.A OG1 no hydrogen 2.885 N/A THR 144.A N GLY 81.A O no hydrogen 2.865 N/A THR 144.A OG1 ILE 85.A O no hydrogen 2.891 N/A TYR 146.A OH HIS 114.A ND1 no hydrogen 2.389 N/A ARG 151.A NE ASP 153.A OD1 no hydrogen 2.974 N/A ARG 151.A NH1 ASP 69.A OD2 no hydrogen 2.829 N/A ARG 151.A NH1 ASP 153.A OD2 no hydrogen 3.077 N/A ARG 151.A NH2 ASP 69.A OD2 no hydrogen 3.159 N/A ARG 151.A NH2 ILE 71.A O no hydrogen 2.913 N/A ASP 152.A N LEU 111.A O no hydrogen 2.806 N/A SER 154.A N ASP 152.A OD1 no hydrogen 2.919 N/A SER 154.A OG ASP 152.A OD1 no hydrogen 3.057 N/A ARG 157.A NE ASP 271.A OD1 no hydrogen 2.880 N/A ARG 157.A NH1 ASP 69.A OD1 no hydrogen 2.843 N/A ARG 157.A NH1 ASP 153.A OD1 no hydrogen 3.349 N/A ARG 157.A NH1 ASP 153.A OD2 no hydrogen 3.256 N/A ARG 157.A NH2 ASP 69.A OD1 no hydrogen 2.820 N/A ARG 157.A NH2 ASP 271.A OD1 no hydrogen 3.531 N/A ARG 157.A NH2 ASP 271.A OD2 no hydrogen 3.025 N/A ALA 158.A N ASN 269.A O no hydrogen 2.870 N/A TYR 159.A N ASP 162.A OD2 no hydrogen 3.231 N/A TYR 159.A OH ASP 153.A OD2 no hydrogen 2.524 N/A ARG 160.A NE ASP 161.A OD1 no hydrogen 2.932 N/A ARG 160.A NH1 ASP 161.A OD1 no hydrogen 3.123 N/A VAL 163.A N TYR 159.A O no hydrogen 3.057 N/A VAL 163.A N ARG 160.A O no hydrogen 2.908 N/A LEU 164.A N ARG 160.A O no hydrogen 2.924 N/A ALA 165.A N ASP 161.A O no hydrogen 3.158 N/A HIS 166.A N VAL 163.A O no hydrogen 3.087 N/A LYS 169.A N HIS 166.A O no hydrogen 2.938 N/A LYS 169.A NZ ASP 240.A OD2 no hydrogen 3.077 N/A ILE 172.A N VAL 242.A O no hydrogen 2.747 N/A ASP 173.A N GLN 205.A O no hydrogen 2.967 N/A VAL 174.A N TYR 244.A O no hydrogen 3.003 N/A ARG 175.A N ASP 173.A OD1 no hydrogen 3.082 N/A ARG 175.A NE ASP 173.A OD1 no hydrogen 2.971 N/A ARG 175.A NE ASP 173.A OD2 no hydrogen 3.203 N/A ARG 175.A NH1 GLY 199.A O no hydrogen 3.406 N/A ARG 175.A NH2 ASP 173.A OD2 no hydrogen 2.654 N/A ARG 175.A NH2 GLY 199.A O no hydrogen 2.698 N/A SER 176.A N GLU 179.A OE1 no hydrogen 3.096 N/A SER 176.A OG GLU 179.A OE1 no hydrogen 2.685 N/A PHE 180.A N SER 176.A O no hydrogen 3.077 N/A SER 181.A N PRO 177.A O no hydrogen 2.858 N/A SER 181.A OG GLU 178.A O no hydrogen 3.205 N/A GLY 182.A N GLU 179.A O no hydrogen 2.947 N/A ALA 183.A N GLU 178.A O no hydrogen 2.814 N/A ARG 184.A N GLU 178.A O no hydrogen 3.282 N/A ARG 184.A NE THR 186.A O no hydrogen 3.175 N/A THR 185.A OG1 ALA 195.A O no hydrogen 3.246 N/A THR 185.A OG1 ARG 197.A O no hydrogen 3.491 N/A THR 186.A OG1 TYR 190.A O no hydrogen 2.783 N/A TYR 190.A N ALA 187.A O no hydrogen 2.948 N/A TYR 190.A OH GLU 40.A OE1 no hydrogen 2.673 N/A GLU 193.A N TYR 190.A O no hydrogen 3.463 N/A ALA 195.A N THR 185.A OG1 no hydrogen 3.251 N/A LEU 196.A N SER 279.A OG no hydrogen 3.252 N/A ARG 197.A N GLY 278.A O no hydrogen 2.888 N/A HIS 200.A N VAL 286.A O no hydrogen 2.918 N/A HIS 200.A ND1 PHE 180.A O no hydrogen 2.690 N/A HIS 200.A NE2 PRO 291.A O no hydrogen 2.588 N/A ILE 201.A N TYR 244.A OH no hydrogen 2.897 N/A SER 203.A N PRO 291.A O no hydrogen 2.938 N/A SER 203.A OG PRO 202.A O no hydrogen 2.547 N/A ALA 204.A N ILE 201.A O no hydrogen 2.999 N/A GLN 205.A N LEU 171.A O no hydrogen 2.745 N/A ASN 206.A ND2 ASP 173.A O no hydrogen 2.790 N/A ASN 206.A ND2 ARG 175.A O no hydrogen 2.781 N/A VAL 207.A N ASP 173.A O no hydrogen 2.931 N/A TRP 209.A N VAL 174.A O no hydrogen 3.123 N/A LYS 211.A N PRO 208.A O no hydrogen 3.467 N/A ALA 212.A N TRP 209.A O no hydrogen 3.312 N/A ALA 213.A N GLY 210.A O no hydrogen 3.042 N/A ALA 214.A N THR 218.A O no hydrogen 2.725 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 3.275 N/A GLY 217.A N ALA 214.A O no hydrogen 3.192 N/A THR 218.A N ASP 216.A OD1 no hydrogen 3.015 N/A THR 218.A OG1 ASP 216.A OD1 no hydrogen 2.389 N/A THR 218.A OG1 ASP 216.A OD2 no hydrogen 3.357 N/A PHE 219.A N ASP 121.A OD1 no hydrogen 3.052 N/A ARG 220.A N ALA 212.A O no hydrogen 2.780 N/A ARG 220.A NE LYS 211.A O no hydrogen 3.238 N/A ARG 220.A NH1 GLU 224.A OE2 no hydrogen 3.124 N/A THR 221.A N GLU 224.A OE1 no hydrogen 2.932 N/A THR 221.A OG1 GLU 224.A OE1 no hydrogen 2.726 N/A LEU 222.A N GLU 11.A OE2 no hydrogen 3.177 N/A LEU 225.A N THR 221.A O no hydrogen 3.056 N/A ASP 226.A N LEU 222.A O no hydrogen 2.569 N/A ALA 227.A N ALA 223.A O no hydrogen 2.868 N/A LEU 228.A N GLU 224.A O no hydrogen 3.086 N/A TYR 229.A N LEU 225.A O no hydrogen 3.037 N/A ARG 230.A N ASP 226.A O no hydrogen 2.911 N/A ARG 230.A NE ASP 226.A OD1 no hydrogen 3.046 N/A ASP 231.A N ASP 226.A O no hydrogen 3.304 N/A GLY 232.A N ALA 227.A O no hydrogen 2.811 N/A ALA 233.A N LEU 228.A O no hydrogen 3.081 N/A LEU 235.A N TYR 229.A O no hydrogen 3.135 N/A LYS 236.A N ASP 239.A OD2 no hydrogen 2.664 N/A ASP 239.A N LYS 236.A O no hydrogen 3.109 N/A VAL 241.A N ASN 266.A O no hydrogen 3.108 N/A VAL 242.A N PRO 170.A O no hydrogen 3.179 N/A ALA 243.A N ARG 268.A O no hydrogen 3.087 N/A TYR 244.A N ILE 172.A O no hydrogen 2.900 N/A TYR 244.A OH ASP 173.A OD2 no hydrogen 2.584 N/A CYS 245.A N SER 273.A OG no hydrogen 2.907 N/A ARG 246.A NE GLU 193.A OE1 no hydrogen 2.747 N/A ARG 246.A NH1 GLU 193.A OE1 no hydrogen 3.221 N/A ARG 246.A NH2 GLU 179.A OE2 no hydrogen 2.841 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.515 N/A ARG 250.A N ILE 247.A O no hydrogen 3.111 N/A ARG 250.A NE GLU 193.A OE1 no hydrogen 3.019 N/A ARG 250.A NH1 GLU 193.A OE1 no hydrogen 3.367 N/A ARG 250.A NH1 GLU 193.A OE2 no hydrogen 2.809 N/A ARG 250.A NH2 GLU 40.A OE1 no hydrogen 2.635 N/A SER 251.A N GLY 248.A O no hydrogen 3.132 N/A SER 251.A OG GLY 248.A O no hydrogen 3.164 N/A SER 251.A OG ASN 269.A OD1 no hydrogen 2.614 N/A SER 252.A OG GLY 248.A O no hydrogen 2.981 N/A TRP 255.A N SER 251.A O no hydrogen 3.121 N/A PHE 256.A N SER 252.A O no hydrogen 2.939 N/A VAL 257.A N HIS 253.A O no hydrogen 2.959 N/A LEU 258.A N THR 254.A O no hydrogen 2.851 N/A GLN 259.A N TRP 255.A O no hydrogen 2.928 N/A HIS 260.A N PHE 256.A O no hydrogen 2.935 N/A HIS 260.A ND1 HIS 14.A ND1 no hydrogen 2.855 N/A LEU 261.A N VAL 257.A O no hydrogen 3.101 N/A LEU 262.A N VAL 257.A O no hydrogen 2.961 N/A PHE 264.A N LEU 258.A O no hydrogen 2.879 N/A ARG 268.A N VAL 241.A O no hydrogen 2.901 N/A ASN 269.A N ILE 156.A O no hydrogen 2.802 N/A ASN 269.A ND2 GLY 248.A O no hydrogen 3.034 N/A TYR 270.A N ALA 243.A O no hydrogen 2.927 N/A TYR 270.A OH GLU 276.A OE1 no hydrogen 2.741 N/A SER 273.A OG TYR 270.A O no hydrogen 2.743 N/A TRP 274.A N CYS 245.A O no hydrogen 3.029 N/A TRP 274.A NE1 ARG 197.A O no hydrogen 3.125 N/A THR 275.A N ARG 246.A O no hydrogen 3.095 N/A THR 275.A OG1 ARG 246.A O no hydrogen 2.659 N/A THR 275.A OG1 GLY 272.A O no hydrogen 3.064 N/A GLU 276.A N GLY 272.A O no hydrogen 3.247 N/A GLU 276.A N SER 273.A O no hydrogen 3.201 N/A TRP 277.A N SER 273.A O no hydrogen 2.841 N/A TRP 277.A NE1 PRO 284.A O no hydrogen 2.908 N/A GLY 278.A N TRP 274.A O no hydrogen 2.739 N/A SER 279.A N GLU 276.A O no hydrogen 3.197 N/A ALA 280.A N TRP 277.A O no hydrogen 3.291 N/A VAL 286.A N HIS 200.A O no hydrogen 3.121 N/A GLN 287.A NE2 ALA 198.A O no hydrogen 2.954 N/A GLY 288.A N SER 181.A O no hydrogen 2.857 N/A GLU 293.A N GLU 293.A OE1 no hydrogen 3.090 N/A ILE 298.A N LEU 164.A O no hydrogen 3.143 N/A