Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xrr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N LEU 18.A O no hydrogen 3.140 N/A ASN 5.A N TYR 16.A O no hydrogen 3.087 N/A ASN 5.A ND2 TYR 16.A OH no hydrogen 2.686 N/A TYR 6.A OH ARG 65.A O no hydrogen 3.124 N/A ALA 7.A N ILE 14.A O no hydrogen 2.705 N/A VAL 9.A N ILE 12.A O no hydrogen 2.623 N/A ILE 12.A N VAL 9.A O no hydrogen 2.968 N/A TYR 13.A N GLU 67.A OE2 no hydrogen 2.708 N/A ILE 14.A N ALA 7.A O no hydrogen 2.560 N/A TYR 15.A N SER 66.A OG no hydrogen 2.943 N/A TYR 15.A OH GLU 4.A OE1 no hydrogen 2.830 N/A TYR 16.A N ASN 5.A O no hydrogen 2.958 N/A LYS 17.A N PHE 57.A O no hydrogen 2.805 N/A LYS 17.A NZ TYR 15.A OH no hydrogen 3.333 N/A LEU 18.A N ILE 3.A O no hydrogen 2.908 N/A CYS 19.A N VAL 55.A O no hydrogen 3.035 N/A ALA 21.A N THR 54.A OG1 no hydrogen 2.858 N/A GLU 24.A N ALA 21.A O no hydrogen 2.954 N/A LYS 25.A N GLY 52.A O no hydrogen 2.690 N/A LYS 27.A NZ GLU 24.A OE1 no hydrogen 3.325 N/A LYS 27.A NZ GLU 24.A OE2 no hydrogen 2.686 N/A LYS 27.A NZ GLU 94.A OE1 no hydrogen 2.568 N/A LYS 27.A NZ GLU 94.A OE2 no hydrogen 3.131 N/A LEU 28.A N THR 54.A O no hydrogen 2.703 N/A MET 29.A N PHE 97.A O no hydrogen 2.788 N/A THR 30.A N LEU 56.A O no hydrogen 2.977 N/A THR 30.A OG1 LEU 56.A O no hydrogen 2.675 N/A MET 31.A N MET 99.A O no hydrogen 2.763 N/A GLY 33.A N TYR 41.A OH no hydrogen 2.668 N/A SER 38.A OG ASP 40.A OD2 no hydrogen 2.694 N/A SER 38.A OG SER 192.A OG no hydrogen 2.548 N/A HIS 39.A N ASP 59.A OD2 no hydrogen 3.272 N/A HIS 39.A ND1 ASP 59.A OD2 no hydrogen 2.708 N/A TYR 41.A N SER 192.A OG no hydrogen 2.899 N/A TYR 41.A OH SER 101.A OG no hydrogen 3.345 N/A LEU 42.A N HIS 39.A O no hydrogen 2.801 N/A LEU 43.A N ASP 40.A O no hydrogen 2.969 N/A SER 44.A OG MET 271.A O no hydrogen 3.435 N/A LEU 45.A N LEU 42.A O no hydrogen 2.963 N/A ARG 46.A N LEU 43.A O no hydrogen 2.703 N/A ASP 47.A N SER 44.A O no hydrogen 3.369 N/A MET 48.A N LEU 45.A O no hydrogen 2.780 N/A THR 49.A N ARG 46.A O no hydrogen 2.948 N/A THR 49.A OG1 ARG 46.A O no hydrogen 2.835 N/A LYS 50.A N ASP 47.A O no hydrogen 3.220 N/A GLU 51.A N MET 48.A O no hydrogen 2.871 N/A GLY 52.A N THR 49.A O no hydrogen 2.812 N/A ILE 53.A N MET 48.A O no hydrogen 3.130 N/A THR 54.A N ALA 26.A O no hydrogen 2.908 N/A THR 54.A OG1 GLU 24.A OE1 no hydrogen 2.543 N/A VAL 55.A N CYS 19.A O no hydrogen 3.044 N/A LEU 56.A N LEU 28.A O no hydrogen 2.647 N/A PHE 57.A N LYS 17.A O no hydrogen 2.876 N/A ASP 59.A N TYR 15.A O no hydrogen 3.255 N/A PHE 61.A N GLU 82.A OE1 no hydrogen 3.172 N/A CYS 63.A N GLN 60.A O no hydrogen 2.900 N/A CYS 63.A SG HIS 32.A NE2 no hydrogen 3.590 N/A CYS 63.A SG PHE 61.A O no hydrogen 3.336 N/A ARG 65.A N ASP 59.A OD1 no hydrogen 2.990 N/A ARG 65.A NH1 ASP 40.A OD1 no hydrogen 2.980 N/A ARG 65.A NH1 ASP 40.A OD2 no hydrogen 3.536 N/A ARG 65.A NH2 ASP 40.A OD2 no hydrogen 3.256 N/A ARG 65.A NH2 ASP 59.A OD1 no hydrogen 2.915 N/A SER 66.A N CYS 63.A O no hydrogen 2.872 N/A SER 66.A OG ASP 59.A O no hydrogen 2.752 N/A GLU 67.A N TYR 13.A O no hydrogen 3.189 N/A SER 72.A N ASP 70.A OD2 no hydrogen 2.795 N/A SER 72.A OG ASP 70.A OD2 no hydrogen 2.509 N/A LYS 73.A N ASP 70.A O no hydrogen 2.737 N/A PHE 74.A N GLN 71.A O no hydrogen 3.013 N/A TYR 78.A N THR 75.A OG1 no hydrogen 3.034 N/A GLY 79.A N THR 75.A O no hydrogen 3.032 N/A VAL 80.A N ILE 76.A O no hydrogen 2.897 N/A GLU 81.A N ASP 77.A O no hydrogen 3.356 N/A GLU 82.A N TYR 78.A O no hydrogen 2.988 N/A GLU 82.A N GLY 79.A O no hydrogen 3.239 N/A ALA 83.A N GLY 79.A O no hydrogen 3.044 N/A GLU 84.A N VAL 80.A O no hydrogen 3.017 N/A ALA 85.A N GLU 81.A O no hydrogen 3.260 N/A LEU 86.A N GLU 82.A O no hydrogen 3.026 N/A ARG 87.A N ALA 83.A O no hydrogen 2.789 N/A ARG 87.A NE GLU 84.A OE2 no hydrogen 2.979 N/A ARG 87.A NH1 GLU 84.A OE1 no hydrogen 2.894 N/A ARG 87.A NH1 GLY 92.A O no hydrogen 3.117 N/A ARG 87.A NH2 GLY 92.A O no hydrogen 2.817 N/A SER 88.A N GLU 84.A O no hydrogen 2.650 N/A LYS 89.A N ALA 85.A O no hydrogen 2.704 N/A LYS 89.A NZ LYS 8.A O no hydrogen 2.760 N/A LEU 90.A N LEU 86.A O no hydrogen 2.667 N/A PHE 91.A N ARG 87.A O no hydrogen 2.822 N/A GLY 92.A N SER 88.A O no hydrogen 2.932 N/A VAL 96.A N HIS 118.A O no hydrogen 2.927 N/A PHE 97.A N LYS 27.A O no hydrogen 3.152 N/A LEU 98.A N GLY 121.A O no hydrogen 3.093 N/A MET 99.A N MET 29.A O no hydrogen 2.679 N/A GLY 100.A N ILE 123.A O no hydrogen 2.961 N/A SER 101.A N MET 31.A O no hydrogen 2.808 N/A SER 101.A OG TYR 41.A OH no hydrogen 3.345 N/A SER 102.A N SER 125.A O no hydrogen 3.030 N/A SER 102.A OG HIS 268.A NE2 no hydrogen 2.631 N/A GLY 104.A N SER 101.A O no hydrogen 2.762 N/A GLY 105.A N SER 102.A O no hydrogen 2.858 N/A ALA 106.A N SER 102.A O no hydrogen 3.266 N/A LEU 107.A N TYR 103.A O no hydrogen 2.777 N/A ALA 108.A N GLY 104.A O no hydrogen 2.709 N/A LEU 109.A N GLY 105.A O no hydrogen 2.930 N/A ALA 110.A N ALA 106.A O no hydrogen 3.057 N/A TYR 111.A N LEU 107.A O no hydrogen 2.863 N/A TYR 111.A OH GLU 84.A OE2 no hydrogen 2.570 N/A ALA 112.A N ALA 108.A O no hydrogen 2.902 N/A VAL 113.A N LEU 109.A O no hydrogen 3.103 N/A LYS 114.A N TYR 111.A O no hydrogen 2.912 N/A LYS 114.A NZ GLU 81.A OE1 no hydrogen 2.883 N/A TYR 115.A N TYR 111.A O no hydrogen 2.660 N/A TYR 115.A OH GLU 81.A OE1 no hydrogen 3.231 N/A TYR 115.A OH GLU 81.A OE2 no hydrogen 2.714 N/A HIS 118.A N TYR 115.A O no hydrogen 3.213 N/A LEU 119.A N GLN 116.A O no hydrogen 2.904 N/A LYS 120.A N VAL 96.A O no hydrogen 3.070 N/A LYS 120.A NZ LYS 95.A O no hydrogen 3.135 N/A LEU 122.A N PRO 232.A O no hydrogen 2.965 N/A ILE 123.A N LEU 98.A O no hydrogen 3.006 N/A VAL 124.A N LEU 234.A O no hydrogen 2.756 N/A SER 125.A N GLY 100.A O no hydrogen 3.109 N/A SER 125.A OG THR 236.A OG1 no hydrogen 2.624 N/A SER 125.A OG TYR 278.A OH no hydrogen 2.563 N/A GLY 126.A N THR 236.A O no hydrogen 2.857 N/A SER 129.A OG THR 223.A OG1 no hydrogen 3.076 N/A VAL 131.A N TRP 220.A O no hydrogen 2.978 N/A LEU 133.A N SER 130.A OG no hydrogen 3.376 N/A THR 134.A N SER 130.A O no hydrogen 3.258 N/A THR 134.A OG1 SER 130.A O no hydrogen 2.697 N/A VAL 135.A N VAL 131.A O no hydrogen 2.835 N/A LYS 136.A N PRO 132.A O no hydrogen 2.907 N/A GLU 137.A N LEU 133.A O no hydrogen 3.026 N/A MET 138.A N THR 134.A O no hydrogen 3.181 N/A ASN 139.A N VAL 135.A O no hydrogen 2.960 N/A ARG 140.A N LYS 136.A O no hydrogen 3.208 N/A ARG 140.A NE GLU 137.A OE1 no hydrogen 3.476 N/A ARG 140.A NH1 GLU 137.A OE2 no hydrogen 2.902 N/A ARG 140.A NH2 GLU 144.A OE2 no hydrogen 3.359 N/A LEU 141.A N GLU 137.A O no hydrogen 3.060 N/A ILE 142.A N MET 138.A O no hydrogen 2.801 N/A ASP 143.A N ASN 139.A O no hydrogen 2.929 N/A GLU 144.A N LEU 141.A O no hydrogen 3.001 N/A LEU 145.A N ILE 142.A O no hydrogen 2.866 N/A ARG 150.A N PRO 146.A O no hydrogen 2.850 N/A ASP 151.A N ALA 147.A O no hydrogen 2.784 N/A ALA 152.A N LYS 148.A O no hydrogen 2.947 N/A ILE 153.A N TYR 149.A O no hydrogen 3.153 N/A LYS 154.A N ARG 150.A O no hydrogen 3.221 N/A LYS 154.A NZ ASP 143.A OD1 no hydrogen 3.000 N/A LYS 155.A N ASP 151.A O no hydrogen 2.972 N/A TYR 156.A N ALA 152.A O no hydrogen 3.007 N/A GLY 157.A N ILE 153.A O no hydrogen 2.956 N/A SER 158.A N LYS 154.A O no hydrogen 3.154 N/A SER 158.A OG LYS 154.A O no hydrogen 2.779 N/A SER 159.A OG SER 161.A OG no hydrogen 2.719 N/A GLY 160.A N GLY 157.A O no hydrogen 3.135 N/A SER 161.A N TYR 156.A O no hydrogen 2.872 N/A SER 161.A OG SER 159.A OG no hydrogen 2.719 N/A ASN 164.A N SER 161.A O no hydrogen 3.115 N/A GLN 168.A N ASN 164.A O no hydrogen 2.874 N/A GLU 169.A N PRO 165.A O no hydrogen 2.899 N/A ALA 170.A N GLU 166.A O no hydrogen 3.083 N/A VAL 171.A N TYR 167.A O no hydrogen 2.953 N/A ASN 172.A N GLN 168.A O no hydrogen 2.936 N/A TYR 173.A N GLU 169.A O no hydrogen 2.880 N/A PHE 174.A N ALA 170.A O no hydrogen 3.142 N/A TYR 175.A N VAL 171.A O no hydrogen 2.903 N/A HIS 176.A N ASN 172.A O no hydrogen 2.937 N/A GLN 177.A N PHE 174.A O no hydrogen 3.011 N/A GLN 177.A NE2 HIS 176.A O no hydrogen 3.371 N/A HIS 178.A N PHE 174.A O no hydrogen 2.746 N/A HIS 178.A ND1 TYR 240.A O no hydrogen 2.936 N/A LEU 179.A N TYR 175.A O no hydrogen 2.788 N/A LEU 180.A N TYR 175.A O no hydrogen 2.812 N/A ARG 181.A N GLU 273.A OE2 no hydrogen 3.083 N/A ARG 181.A NE ASP 265.A O no hydrogen 2.886 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.468 N/A VAL 189.A N PRO 186.A O no hydrogen 2.961 N/A LEU 190.A N PRO 186.A O no hydrogen 3.351 N/A LYS 191.A N PRO 187.A O no hydrogen 3.014 N/A SER 192.A OG SER 38.A O no hydrogen 3.397 N/A SER 192.A OG SER 38.A OG no hydrogen 2.548 N/A SER 192.A OG GLU 188.A O no hydrogen 3.448 N/A LEU 193.A N VAL 189.A O no hydrogen 3.103 N/A GLU 194.A N LEU 190.A O no hydrogen 2.924 N/A TYR 195.A N LYS 191.A O no hydrogen 2.743 N/A ALA 196.A N SER 192.A O no hydrogen 3.032 N/A GLU 197.A N LEU 193.A O no hydrogen 3.149 N/A ARG 198.A N GLU 194.A O no hydrogen 3.024 N/A ARG 199.A N TYR 195.A O no hydrogen 2.909 N/A ARG 199.A NH1 SER 66.A O no hydrogen 2.752 N/A ARG 199.A NH1 GLU 68.A OE2 no hydrogen 3.515 N/A ARG 199.A NH2 GLY 64.A O no hydrogen 2.795 N/A ARG 199.A NH2 SER 66.A O no hydrogen 2.763 N/A TYR 202.A OH GLU 210.A OE2 no hydrogen 2.866 N/A ARG 203.A NH1 ASN 200.A OD1 no hydrogen 3.264 N/A ILE 204.A N ASN 200.A O no hydrogen 3.232 N/A MET 205.A N VAL 201.A O no hydrogen 2.919 N/A ASN 206.A N TYR 202.A O no hydrogen 3.168 N/A GLY 207.A N TYR 202.A O no hydrogen 2.718 N/A ASN 209.A ND2 TYR 167.A OH no hydrogen 2.988 N/A GLU 210.A N TYR 175.A OH no hydrogen 2.976 N/A THR 212.A N ASN 209.A O no hydrogen 3.396 N/A THR 212.A OG1 TYR 167.A OH no hydrogen 3.288 N/A THR 212.A OG1 ASN 209.A OD1 no hydrogen 2.463 N/A THR 214.A N THR 212.A O no hydrogen 3.204 N/A GLY 215.A N ASN 206.A O no hydrogen 2.796 N/A THR 216.A N ILE 204.A O no hydrogen 2.853 N/A ILE 217.A N MET 205.A O no hydrogen 3.321 N/A LYS 218.A N GLY 215.A O no hydrogen 3.273 N/A TRP 220.A N ILE 217.A O no hydrogen 3.315 N/A ILE 222.A N SER 129.A O no hydrogen 2.845 N/A THR 223.A N ASP 221.A OD2 no hydrogen 3.013 N/A THR 223.A OG1 SER 129.A OG no hydrogen 3.076 N/A THR 223.A OG1 ASP 221.A OD2 no hydrogen 2.689 N/A LYS 225.A N ILE 222.A O no hydrogen 2.834 N/A ILE 226.A N ILE 222.A O no hydrogen 3.184 N/A ALA 228.A N LYS 225.A O no hydrogen 2.970 N/A ILE 229.A N ILE 226.A O no hydrogen 3.155 N/A THR 233.A OG1 ILE 231.A O no hydrogen 2.973 N/A LEU 234.A N LEU 122.A O no hydrogen 2.623 N/A ILE 235.A N GLU 259.A O no hydrogen 2.684 N/A THR 236.A N VAL 124.A O no hydrogen 2.760 N/A THR 236.A OG1 SER 125.A OG no hydrogen 2.624 N/A VAL 237.A N HIS 261.A O no hydrogen 3.134 N/A GLY 238.A N ASP 241.A OD1 no hydrogen 3.422 N/A GLU 239.A N PHE 263.A O no hydrogen 2.810 N/A TYR 240.A N CYS 266.A O no hydrogen 2.960 N/A ASP 241.A N GLY 238.A O no hydrogen 3.339 N/A GLN 242.A N HIS 178.A O no hydrogen 3.021 N/A VAL 243.A N ASP 241.A OD2 no hydrogen 3.055 N/A THR 244.A OG1 GLU 137.A OE2 no hydrogen 2.442 N/A VAL 247.A N THR 244.A O no hydrogen 2.770 N/A ALA 248.A N THR 244.A O no hydrogen 3.329 N/A ARG 249.A N PRO 245.A O no hydrogen 2.721 N/A ARG 249.A NH2 GLU 253.A OE2 no hydrogen 2.706 N/A VAL 250.A N ASN 246.A O no hydrogen 3.215 N/A HIS 252.A N ALA 248.A O no hydrogen 2.924 N/A GLU 253.A N ARG 249.A O no hydrogen 2.747 N/A LYS 254.A N ILE 251.A O no hydrogen 2.710 N/A ILE 255.A N ILE 251.A O no hydrogen 3.238 N/A SER 258.A N ILE 255.A O no hydrogen 3.118 N/A SER 258.A OG ILE 255.A O no hydrogen 2.403 N/A GLU 259.A N THR 233.A O no hydrogen 3.012 N/A HIS 261.A N ILE 235.A O no hydrogen 2.857 N/A HIS 261.A NE2 GLU 259.A OE2 no hydrogen 3.037 N/A PHE 263.A N VAL 237.A O no hydrogen 3.234 N/A ARG 264.A NH1 VAL 262.A O no hydrogen 3.359 N/A ASP 265.A N GLU 239.A OE2 no hydrogen 2.959 N/A CYS 266.A N PHE 263.A O no hydrogen 3.362 N/A CYS 266.A SG ARG 264.A O no hydrogen 3.546 N/A SER 267.A N GLU 273.A OE1 no hydrogen 2.634 N/A SER 267.A OG GLU 273.A OE2 no hydrogen 2.550 N/A HIS 268.A ND1 ASP 241.A OD2 no hydrogen 2.680 N/A HIS 268.A NE2 SER 102.A OG no hydrogen 2.631 N/A LEU 269.A N LEU 179.A O no hydrogen 2.796 N/A THR 270.A N HIS 268.A O no hydrogen 2.786 N/A TRP 272.A N LEU 269.A O no hydrogen 3.128 N/A TRP 272.A NE1 TYR 41.A O no hydrogen 2.596 N/A GLU 273.A N LEU 269.A O no hydrogen 3.272 N/A ASP 274.A N THR 270.A O no hydrogen 2.978 N/A ARG 275.A NE SER 44.A O no hydrogen 3.460 N/A ARG 275.A NH1 SER 44.A O no hydrogen 3.383 N/A ARG 275.A NH1 ASP 47.A OD2 no hydrogen 2.913 N/A TYR 278.A N ASP 274.A O no hydrogen 2.788 N/A TYR 278.A OH SER 125.A OG no hydrogen 2.563 N/A ASN 279.A N ARG 275.A O no hydrogen 2.836 N/A LYS 280.A N GLU 276.A O no hydrogen 2.734 N/A LEU 281.A N GLY 277.A O no hydrogen 2.997 N/A LEU 282.A N TYR 278.A O no hydrogen 3.108 N/A SER 283.A N ASN 279.A O no hydrogen 3.199 N/A SER 283.A OG ASN 279.A O no hydrogen 2.756 N/A SER 283.A OG LYS 280.A O no hydrogen 2.563 N/A SER 283.A OG ASP 284.A OD2 no hydrogen 3.364 N/A ASP 284.A N LYS 280.A O no hydrogen 2.876 N/A PHE 285.A N LEU 281.A O no hydrogen 3.063 N/A ILE 286.A N LEU 282.A O no hydrogen 3.165 N/A LEU 287.A N SER 283.A O no hydrogen 2.944 N/A LYS 288.A N PHE 285.A O no hydrogen 2.982 N/A HIS 289.A N ILE 286.A O no hydrogen 2.951 N/A