Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rew_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.125 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.658 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.785 N/A SER 4.A OG.B ASP 102.A OD1 no hydrogen 2.425 N/A MET 5.A N CYS 101.A O no hydrogen 2.993 N/A ARG 6.A N TYR 27.A O no hydrogen 2.886 N/A ARG 6.A NE TYR 113.A OH no hydrogen 2.845 N/A TYR 7.A N TYR 99.A O no hydrogen 2.858 N/A PHE 8.A N VAL 25.A O no hydrogen 2.913 N/A PHE 9.A N ARG 97.A O no hydrogen 2.712 N/A THR 10.A N ILE 23.A O no hydrogen 2.770 N/A SER 11.A N VAL 95.A O no hydrogen 2.912 N/A VAL 12.A N ARG 21.A O no hydrogen 3.029 N/A SER 13.A N HIS 93.A O no hydrogen 2.877 N/A SER 13.A OG GLY 91.A O no hydrogen 3.486 N/A SER 13.A OG HIS 93.A O no hydrogen 3.449 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.877 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.880 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.017 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.728 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 3.370 N/A ARG 17.A N ARG 14.A O no hydrogen 2.811 N/A ARG 21.A N VAL 12.A O no hydrogen 3.086 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.203 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.622 N/A PHE 22.A N SER 38.A OG no hydrogen 2.754 N/A ILE 23.A N THR 10.A O no hydrogen 2.778 N/A ALA 24.A N PHE 36.A O no hydrogen 2.948 N/A VAL 25.A N PHE 8.A O no hydrogen 3.030 N/A GLY 26.A N VAL 34.A O no hydrogen 3.173 N/A TYR 27.A N ARG 6.A O no hydrogen 2.788 N/A VAL 28.A N THR 31.A O no hydrogen 2.921 N/A ASP 29.A N SER 4.A O no hydrogen 2.832 N/A THR 31.A N VAL 28.A O no hydrogen 2.866 N/A THR 31.A OG1 TYR 205.A OH no hydrogen 2.749 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.318 N/A PHE 33.A N GLY 26.A O no hydrogen 2.848 N/A ARG 35.A N GLU 46.A O no hydrogen 2.950 N/A ARG 35.A NE GLU 46.A OE2 no hydrogen 2.755 N/A ARG 35.A NH2 GLU 46.A OE2 no hydrogen 2.970 N/A PHE 36.A N ALA 24.A O no hydrogen 2.844 N/A SER 38.A N PHE 22.A O no hydrogen 2.936 N/A SER 38.A OG PHE 22.A O no hydrogen 3.499 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.801 N/A ALA 40.A N ASP 37.A O no hydrogen 3.127 N/A SER 42.A OG ARG 44.A O no hydrogen 3.511 N/A SER 42.A OG GLU 46.A OE1 no hydrogen 2.661 N/A GLN 43.A NE2 SER 38.A O no hydrogen 2.864 N/A GLN 43.A NE2 ALA 40.A O no hydrogen 2.763 N/A ARG 44.A N SER 42.A OG no hydrogen 3.108 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.281 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.713 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.089 N/A GLU 46.A N ARG 35.A O no hydrogen 2.866 N/A ARG 48.A N PHE 33.A O no hydrogen 2.809 N/A GLU 53.A N PRO 50.A O no hydrogen 3.328 N/A GLN 54.A NE2 ASN 174.A O no hydrogen 3.334 N/A GLU 55.A N ILE 52.A O no hydrogen 2.987 N/A TYR 59.A N GLY 56.A O no hydrogen 2.980 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.710 N/A TRP 60.A N GLY 56.A O no hydrogen 3.425 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.135 N/A ASP 61.A N PRO 57.A O no hydrogen 2.886 N/A GLY 62.A N GLU 58.A O no hydrogen 2.895 N/A GLU 63.A N TYR 59.A O no hydrogen 2.904 N/A THR 64.A N TRP 60.A O no hydrogen 2.971 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.693 N/A ARG 65.A N ASP 61.A O no hydrogen 3.041 N/A LYS 66.A N GLY 62.A O no hydrogen 2.982 N/A VAL 67.A N GLU 63.A O no hydrogen 2.770 N/A LYS 68.A N THR 64.A O no hydrogen 2.913 N/A ALA 69.A N ARG 65.A O no hydrogen 3.223 N/A HIS 70.A N LYS 66.A O no hydrogen 2.901 N/A SER 71.A N VAL 67.A O no hydrogen 2.850 N/A SER 71.A OG LYS 68.A O no hydrogen 2.530 N/A GLN 72.A N LYS 68.A O no hydrogen 3.060 N/A THR 73.A N ALA 69.A O no hydrogen 2.976 N/A THR 73.A OG1 HIS 70.A O no hydrogen 3.049 N/A THR 73.A OG1 HIS 74.A ND1 no hydrogen 3.300 N/A HIS 74.A N HIS 70.A O no hydrogen 3.057 N/A HIS 74.A ND1 HIS 70.A O no hydrogen 2.717 N/A ARG 75.A N SER 71.A O no hydrogen 3.119 N/A ARG 75.A NE GLN 72.A OE1 no hydrogen 2.911 N/A ARG 75.A NH2 GLN 72.A OE1 no hydrogen 2.763 N/A VAL 76.A N GLN 72.A O no hydrogen 3.144 N/A ASP 77.A N THR 73.A O no hydrogen 2.956 N/A LEU 78.A N HIS 74.A O no hydrogen 3.107 N/A GLY 79.A N ARG 75.A O no hydrogen 3.363 N/A THR 80.A N VAL 76.A O no hydrogen 2.864 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.036 N/A LEU 81.A N ASP 77.A O no hydrogen 2.764 N/A ARG 82.A N LEU 78.A O no hydrogen 3.027 N/A GLY 83.A N GLY 79.A O no hydrogen 3.202 N/A TYR 84.A N THR 80.A O no hydrogen 2.779 N/A TYR 85.A N LEU 81.A O no hydrogen 2.932 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.579 N/A ASN 86.A N GLY 83.A O no hydrogen 3.061 N/A GLN 87.A N ARG 82.A O no hydrogen 2.813 N/A GLN 87.A NE2 TYR 118.A OH no hydrogen 2.596 N/A ALA 90.A N SER 88.A OG no hydrogen 2.969 N/A SER 92.A OG SER 13.A O no hydrogen 2.832 N/A HIS 93.A N SER 13.A OG no hydrogen 2.701 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.677 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.879 N/A VAL 95.A N SER 11.A O no hydrogen 2.970 N/A GLN 96.A N ALA 117.A O no hydrogen 2.988 N/A ARG 97.A N PHE 9.A O no hydrogen 2.971 N/A ARG 97.A NE HIS 74.A NE2 no hydrogen 2.945 N/A ARG 97.A NH1 HIS 114.A NE2 no hydrogen 2.788 N/A ARG 97.A NH2 HIS 74.A NE2 no hydrogen 3.430 N/A MET 98.A N GLN 115.A O no hydrogen 2.952 N/A TYR 99.A N TYR 7.A O no hydrogen 3.151 N/A GLY 100.A N TYR 113.A O no hydrogen 3.022 N/A CYS 101.A N MET 5.A O no hydrogen 3.071 N/A ASP 102.A N ARG 111.A O no hydrogen 2.880 N/A VAL 103.A N HIS 3.A O no hydrogen 2.938 N/A GLY 104.A N ARG 108.A O no hydrogen 3.052 N/A TRP 107.A N GLY 104.A O no hydrogen 2.785 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.106 N/A LEU 110.A N ASP 102.A O no hydrogen 2.760 N/A ARG 111.A N ASP 102.A O no hydrogen 3.352 N/A ARG 111.A NH1 ASP 102.A OD2 no hydrogen 2.818 N/A TYR 113.A N GLY 100.A O no hydrogen 3.077 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 2.625 N/A GLN 115.A N MET 98.A O no hydrogen 2.747 N/A TYR 116.A N ILE 124.A O no hydrogen 2.872 N/A TYR 116.A OH ASP 77.A OD2 no hydrogen 2.691 N/A ALA 117.A N GLN 96.A O no hydrogen 2.901 N/A TYR 118.A N LYS 121.A O no hydrogen 3.017 N/A ASP 119.A N THR 94.A O no hydrogen 2.755 N/A LYS 121.A N TYR 118.A O no hydrogen 3.071 N/A TYR 123.A N TYR 116.A O no hydrogen 2.857 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.751 N/A ILE 124.A N TYR 116.A O no hydrogen 3.336 N/A ALA 125.A N THR 134.A O no hydrogen 3.030 N/A LEU 126.A N HIS 114.A O no hydrogen 2.862 N/A LYS 127.A N SER 132.A O no hydrogen 2.848 N/A LEU 130.A N LYS 127.A O no hydrogen 2.806 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.789 N/A SER 132.A N ASP 129.A OD1 no hydrogen 2.987 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.291 N/A THR 134.A N ALA 125.A O no hydrogen 2.784 N/A ALA 136.A N TYR 123.A O no hydrogen 2.940 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.706 N/A GLN 141.A N ASP 137.A O no hydrogen 3.181 N/A GLN 141.A N MET 138.A O no hydrogen 3.065 N/A THR 142.A N ALA 139.A O no hydrogen 3.091 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.751 N/A LYS 144.A N ALA 140.A O no hydrogen 2.781 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.381 N/A LYS 144.A NZ GLU 148.A OE2 no hydrogen 2.679 N/A HIS 145.A N GLN 141.A O no hydrogen 2.921 N/A LYS 146.A N THR 142.A O no hydrogen 2.945 N/A TRP 147.A N THR 143.A O no hydrogen 2.825 N/A GLU 148.A N LYS 144.A O no hydrogen 2.975 N/A ALA 149.A N HIS 145.A O no hydrogen 3.025 N/A ALA 150.A N LYS 146.A O no hydrogen 3.048 N/A HIS 151.A N GLU 148.A O no hydrogen 3.066 N/A HIS 151.A ND1 GLU 154.A OE1 no hydrogen 2.571 N/A VAL 152.A N TRP 147.A O no hydrogen 2.999 N/A GLU 154.A N GLU 154.A OE2 no hydrogen 2.732 N/A GLN 155.A NE2 HIS 151.A O no hydrogen 3.168 N/A LEU 156.A N VAL 152.A O no hydrogen 2.897 N/A ARG 157.A N ALA 153.A O no hydrogen 2.721 N/A ARG 157.A NE GLU 161.A OE2 no hydrogen 2.823 N/A ALA 158.A N GLU 154.A O no hydrogen 3.290 N/A TYR 159.A N GLN 155.A O no hydrogen 3.402 N/A LEU 160.A N LEU 156.A O no hydrogen 2.865 N/A GLU 161.A N ARG 157.A O no hydrogen 3.018 N/A GLY 162.A N ALA 158.A O no hydrogen 3.109 N/A CYS 164.A N TYR 159.A O no hydrogen 2.827 N/A GLU 166.A N GLY 162.A O no hydrogen 2.883 N/A TRP 167.A N THR 163.A O no hydrogen 2.995 N/A LEU 168.A N CYS 164.A O no hydrogen 2.947 N/A ARG 169.A N VAL 165.A O no hydrogen 2.963 N/A ARG 169.A NH1 TRP 107.A O no hydrogen 2.872 N/A ARG 170.A N GLU 166.A O no hydrogen 3.083 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 3.011 N/A ARG 170.A NH1 GLU 55.A OE1 no hydrogen 3.388 N/A ARG 170.A NH1 GLU 55.A OE2 no hydrogen 3.521 N/A TYR 171.A N TRP 167.A O no hydrogen 2.859 N/A LEU 172.A N LEU 168.A O no hydrogen 2.984 N/A GLU 173.A N ARG 169.A O no hydrogen 3.132 N/A ASN 174.A N ARG 170.A O no hydrogen 2.949 N/A GLY 175.A N TYR 171.A O no hydrogen 2.730 N/A LYS 176.A N GLU 173.A O no hydrogen 3.236 N/A THR 178.A N GLY 175.A O no hydrogen 2.936 N/A LEU 179.A N GLY 175.A O no hydrogen 2.749 N/A GLN 180.A N LYS 176.A O no hydrogen 3.021 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 2.902 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 2.873 N/A ARG 181.A NH1 THR 178.A O no hydrogen 2.899 N/A ARG 181.A NH2 ASP 183.A OD2 no hydrogen 3.188 N/A ARG 181.A NH2 GLY 235.A O no hydrogen 3.108 N/A THR 182.A OG1.A TYR 205.A O no hydrogen 3.367 N/A ASP 183.A N TYR 205.A O no hydrogen 2.753 N/A LYS 186.A N LEU 202.A O no hydrogen 2.737 N/A HIS 188.A N TRP 200.A O no hydrogen 3.208 N/A THR 190.A N ARG 198.A O no hydrogen 2.971 N/A HIS 191.A NE2 GLU 250.A OE2 no hydrogen 2.686 N/A HIS 192.A N THR 196.A O no hydrogen 2.890 N/A ALA 195.A N VAL 245.A O no hydrogen 2.793 N/A THR 196.A N HIS 192.A O no hydrogen 2.683 N/A LEU 197.A N VAL 243.A O no hydrogen 2.944 N/A ARG 198.A N THR 190.A O no hydrogen 2.931 N/A ARG 198.A NH1 HIS 192.A ND1 no hydrogen 3.439 N/A CYS 199.A N ALA 241.A O no hydrogen 2.701 N/A TRP 200.A N HIS 188.A O no hydrogen 2.854 N/A ALA 201.A N LYS 239.A O no hydrogen 2.999 N/A LEU 202.A N LYS 186.A O no hydrogen 2.763 N/A PHE 204.A N PHE 237.A O no hydrogen 3.225 N/A TYR 205.A N ASP 183.A O no hydrogen 2.968 N/A TYR 205.A OH THR 31.A OG1 no hydrogen 2.749 N/A ALA 207.A N ASP 30.A OD2 no hydrogen 2.818 N/A THR 210.A N GLN 258.A O no hydrogen 2.905 N/A THR 212.A N HIS 256.A O no hydrogen 3.017 N/A TRP 213.A NE1 ALA 241.A O no hydrogen 2.946 N/A GLN 214.A N THR 254.A O no hydrogen 2.846 N/A GLN 214.A NE2 ASP 219.A OD1 no hydrogen 2.557 N/A ARG 215.A N GLU 218.A O no hydrogen 2.896 N/A ASP 216.A N ARG 252.A O no hydrogen 2.768 N/A GLU 218.A N ARG 215.A O no hydrogen 2.997 N/A GLN 220.A N TRP 213.A O no hydrogen 2.928 N/A GLN 220.A NE2 GLU 218.A O no hydrogen 3.062 N/A ASP 223.A N GLN 220.A O no hydrogen 3.044 N/A THR 224.A OG1 GLN 220.A O no hydrogen 2.655 N/A GLU 225.A N ALA 242.A O no hydrogen 2.807 N/A VAL 227.A N TRP 240.A O no hydrogen 3.235 N/A ARG 230.A N GLN 238.A O no hydrogen 2.938 N/A ARG 230.A NE GLN 238.A OE1 no hydrogen 2.970 N/A ARG 230.A NH2 GLN 238.A OE1 no hydrogen 3.119 N/A ALA 232.A N THR 236.A O no hydrogen 2.857 N/A THR 236.A N ASP 234.A OD1 no hydrogen 3.090 N/A THR 236.A OG1 ASP 234.A OD1 no hydrogen 2.662 N/A PHE 237.A N PHE 204.A O no hydrogen 2.851 N/A GLN 238.A N ARG 230.A O no hydrogen 2.791 N/A LYS 239.A N ALA 201.A O no hydrogen 3.062 N/A LYS 239.A NZ VAL 227.A O no hydrogen 2.833 N/A LYS 239.A NZ THR 229.A OG1 no hydrogen 2.994 N/A ALA 241.A N CYS 199.A O no hydrogen 2.978 N/A ALA 242.A N GLU 225.A O no hydrogen 2.802 N/A VAL 243.A N LEU 197.A O no hydrogen 2.933 N/A VAL 245.A N ALA 195.A O no hydrogen 2.670 N/A GLN 249.A N PRO 246.A O no hydrogen 2.880 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.763 N/A ARG 252.A N GLN 249.A O no hydrogen 3.137 N/A TYR 253.A N GLU 250.A O no hydrogen 3.117 N/A THR 254.A N GLN 214.A O no hydrogen 2.958 N/A THR 254.A OG1 HIS 256.A NE2 no hydrogen 2.797 N/A CYS 255.A N LEU 268.A O no hydrogen 2.938 N/A CYS 255.A SG THR 212.A O no hydrogen 4.022 N/A HIS 256.A N THR 212.A O no hydrogen 2.799 N/A HIS 256.A NE2 THR 254.A OG1 no hydrogen 2.797 N/A VAL 257.A N LEU 266.A O no hydrogen 2.949 N/A GLN 258.A N THR 210.A O no hydrogen 2.971 N/A HIS 259.A NE2 PRO 206.A O no hydrogen 2.833 N/A GLY 261.A N HIS 259.A ND1 no hydrogen 2.960 N/A LEU 262.A N HIS 259.A O no hydrogen 3.020 N/A LEU 266.A N VAL 257.A O no hydrogen 2.963 N/A LEU 268.A N CYS 255.A O no hydrogen 2.782 N/A