Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rqu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 129.A O no hydrogen 2.843 N/A SER 5.A N GLN 32.A O no hydrogen 2.798 N/A VAL 6.A N PHE 132.A O no hydrogen 3.067 N/A SER 7.A N VAL 30.A O no hydrogen 2.806 N/A ILE 8.A N ASP 134.A O no hydrogen 2.716 N/A PHE 9.A N TYR 28.A O no hydrogen 3.036 N/A ILE 10.A N GLN 136.A O no hydrogen 3.219 N/A ASN 11.A N ASP 26.A O no hydrogen 2.802 N/A ASN 11.A ND2 ASP 26.A OD2 no hydrogen 3.213 N/A LYS 12.A N ASP 26.A O no hydrogen 3.289 N/A TYR 14.A N LYS 24.A O no hydrogen 2.973 N/A ASN 17.A N THR 22.A O no hydrogen 2.802 N/A THR 18.A OG1 ARG 245.A O no hydrogen 3.191 N/A GLU 20.A N ASN 17.A OD1 no hydrogen 3.135 N/A THR 22.A N ASN 17.A O no hydrogen 3.297 N/A TYR 23.A N PHE 100.A O no hydrogen 2.954 N/A TYR 23.A OH VAL 117.A O no hydrogen 2.777 N/A LYS 24.A N TYR 14.A O no hydrogen 2.814 N/A VAL 25.A N GLY 98.A O no hydrogen 2.978 N/A ASP 26.A N LYS 12.A O no hydrogen 3.005 N/A GLY 27.A N PHE 96.A O no hydrogen 2.911 N/A TYR 28.A N PHE 9.A O no hydrogen 2.882 N/A ILE 29.A N ALA 94.A O no hydrogen 2.856 N/A VAL 30.A N SER 7.A O no hydrogen 2.727 N/A ALA 31.A N TYR 92.A O no hydrogen 2.881 N/A GLN 32.A N SER 5.A O no hydrogen 2.890 N/A TRP 33.A N VAL 90.A O no hydrogen 3.076 N/A GLY 35.A N GLY 88.A O no hydrogen 3.468 N/A ARG 38.A N PRO 86.A O no hydrogen 2.893 N/A LYS 39.A NZ GLY 42.A O no hydrogen 3.360 N/A THR 40.A OG1 LYS 44.A O no hydrogen 2.707 N/A LEU 46.A N LEU 84.A O no hydrogen 2.674 N/A VAL 48.A N LEU 82.A O no hydrogen 2.807 N/A ASN 50.A N LYS 80.A O no hydrogen 2.898 N/A ASN 50.A ND2 ASN 79.A OD1 no hydrogen 3.479 N/A GLN 52.A N GLU 49.A O no hydrogen 3.060 N/A ILE 53.A N ASN 50.A O no hydrogen 3.030 N/A TRP 56.A N GLN 52.A O no hydrogen 3.149 N/A ILE 57.A N ILE 53.A O no hydrogen 3.068 N/A ASN 58.A N GLU 54.A O no hydrogen 3.155 N/A ASN 59.A N ARG 55.A O no hydrogen 3.299 N/A GLY 60.A N ILE 57.A O no hydrogen 3.004 N/A LEU 61.A N TRP 56.A O no hydrogen 3.010 N/A TRP 62.A NE1 TYR 125.A OH no hydrogen 3.028 N/A GLU 67.A N GLU 121.A O no hydrogen 2.923 N/A ILE 69.A N GLU 119.A O no hydrogen 2.683 N/A ASN 70.A ND2 SER 101.A O no hydrogen 2.879 N/A ASN 70.A ND2 VAL 117.A O no hydrogen 2.963 N/A VAL 71.A N PHE 68.A O no hydrogen 3.306 N/A VAL 72.A N SER 99.A O no hydrogen 2.736 N/A ASP 76.A N LEU 97.A O no hydrogen 2.849 N/A GLY 78.A N ARG 95.A O no hydrogen 3.010 N/A LYS 80.A N ASN 50.A OD1 no hydrogen 2.730 N/A ARG 81.A N ASN 93.A O no hydrogen 2.721 N/A LEU 82.A N VAL 48.A O no hydrogen 2.740 N/A MET 83.A N ILE 91.A O no hydrogen 2.786 N/A LEU 84.A N LEU 46.A O no hydrogen 2.785 N/A PHE 85.A N ARG 89.A O no hydrogen 2.877 N/A GLY 88.A N PHE 85.A O no hydrogen 3.169 N/A VAL 90.A N TRP 33.A O no hydrogen 2.755 N/A ILE 91.A N MET 83.A O no hydrogen 2.919 N/A TYR 92.A N ALA 31.A O no hydrogen 2.699 N/A ASN 93.A N ARG 81.A O no hydrogen 2.863 N/A ASN 93.A ND2 ILE 29.A O no hydrogen 3.304 N/A ALA 94.A N ILE 29.A O no hydrogen 3.122 N/A ARG 95.A N ASN 79.A O no hydrogen 3.130 N/A ARG 95.A NE ASP 26.A OD1 no hydrogen 3.419 N/A ARG 95.A NE ASP 26.A OD2 no hydrogen 3.225 N/A ARG 95.A NH2 ASP 26.A OD1 no hydrogen 3.360 N/A ARG 95.A NH2 ASP 26.A OD2 no hydrogen 2.737 N/A PHE 96.A N GLY 27.A O no hydrogen 2.689 N/A LEU 97.A N ASP 76.A O no hydrogen 2.762 N/A GLY 98.A N VAL 25.A O no hydrogen 3.005 N/A PHE 100.A N TYR 23.A O no hydrogen 2.841 N/A SER 101.A N ASN 70.A O no hydrogen 2.759 N/A ASN 102.A N GLN 21.A O no hydrogen 3.352 N/A ASN 102.A ND2 GLN 115.A O no hydrogen 2.802 N/A MET 104.A N GLN 21.A OE1 no hydrogen 3.078 N/A PHE 106.A N TYR 248.A OH no hydrogen 2.992 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.885 N/A ARG 107.A NE ASP 105.A OD1 no hydrogen 3.178 N/A ARG 107.A NE ASP 105.A OD2 no hydrogen 3.224 N/A ARG 107.A NH2 ASP 105.A OD2 no hydrogen 2.859 N/A PHE 111.A N LEU 108.A O no hydrogen 2.893 N/A GLN 114.A N ALA 187.A O no hydrogen 2.801 N/A PHE 116.A N ILE 185.A O no hydrogen 2.807 N/A VAL 117.A N TYR 23.A OH no hydrogen 2.628 N/A LEU 118.A N VAL 183.A O no hydrogen 3.011 N/A GLU 119.A N ASN 70.A OD1 no hydrogen 3.016 N/A LEU 120.A N ILE 181.A O no hydrogen 2.910 N/A GLU 121.A N GLU 67.A O no hydrogen 2.961 N/A PHE 123.A N ALA 65.A O no hydrogen 2.887 N/A GLN 129.A N VAL 2.A O no hydrogen 2.726 N/A LEU 130.A N SER 179.A OG no hydrogen 2.871 N/A ARG 131.A N VAL 4.A O no hydrogen 2.654 N/A ASP 134.A N VAL 6.A O no hydrogen 3.008 N/A GLN 136.A N ILE 8.A O no hydrogen 3.020 N/A THR 139.A N VAL 137.A O no hydrogen 2.616 N/A ASN 141.A ND2 GLY 154.A O no hydrogen 3.415 N/A ASN 144.A ND2 GLU 140.A OE2 no hydrogen 3.343 N/A ILE 147.A N ASN 144.A O no hydrogen 2.561 N/A ASP 148.A N ASN 144.A O no hydrogen 3.260 N/A ASP 148.A N GLU 145.A O no hydrogen 3.173 N/A TRP 151.A N VAL 188.A O no hydrogen 2.937 N/A TRP 151.A NE1 GLU 145.A O no hydrogen 2.828 N/A ARG 153.A N ASP 186.A O no hydrogen 3.052 N/A SER 157.A N ARG 184.A O no hydrogen 2.913 N/A SER 161.A N ARG 180.A O no hydrogen 3.023 N/A ILE 163.A N PHE 178.A O no hydrogen 2.896 N/A ARG 164.A NH2 GLU 177.A OE2 no hydrogen 3.298 N/A TYR 165.A N ASN 176.A O no hydrogen 2.968 N/A TYR 165.A OH GLU 121.A OE1 no hydrogen 3.088 N/A TYR 165.A OH GLU 121.A OE2 no hydrogen 2.529 N/A PHE 178.A N ILE 163.A O no hydrogen 2.942 N/A ARG 180.A N SER 161.A O no hydrogen 2.905 N/A ARG 180.A NE GLU 121.A OE1 no hydrogen 2.793 N/A ARG 180.A NH1 GLU 119.A OE2 no hydrogen 3.338 N/A ARG 180.A NH2 GLU 121.A OE1 no hydrogen 2.636 N/A ILE 181.A N LEU 120.A O no hydrogen 2.873 N/A VAL 183.A N LEU 118.A O no hydrogen 2.805 N/A ARG 184.A N SER 157.A O no hydrogen 2.893 N/A ILE 185.A N PHE 116.A O no hydrogen 2.792 N/A ALA 187.A N GLN 114.A O no hydrogen 2.947 N/A VAL 188.A N TRP 151.A O no hydrogen 3.004 N/A ARG 189.A N ASP 112.A O no hydrogen 3.265 N/A ARG 189.A NE ASP 112.A OD1 no hydrogen 2.755 N/A ARG 189.A NH2 ASP 112.A OD1 no hydrogen 3.028 N/A ARG 189.A NH2 ASP 112.A OD2 no hydrogen 3.516 N/A ASN 190.A N GLU 149.A O no hydrogen 2.981 N/A LEU 195.A N PRO 191.A O no hydrogen 3.165 N/A TRP 196.A N SER 192.A O no hydrogen 3.226 N/A SER 197.A N TYR 193.A O no hydrogen 2.995 N/A PHE 198.A N TYR 194.A O no hydrogen 2.992 N/A ILE 199.A N TYR 194.A O no hydrogen 2.863 N/A LEU 200.A N LEU 195.A O no hydrogen 2.847 N/A LEU 202.A N PHE 198.A O no hydrogen 3.027 N/A GLY 203.A N ILE 199.A O no hydrogen 2.986 N/A LEU 204.A N LEU 200.A O no hydrogen 3.008 N/A ILE 205.A N PRO 201.A O no hydrogen 2.861 N/A ILE 206.A N LEU 202.A O no hydrogen 2.915 N/A ALA 207.A N GLY 203.A O no hydrogen 2.715 N/A ALA 208.A N LEU 204.A O no hydrogen 2.756 N/A SER 209.A N ILE 205.A O no hydrogen 2.969 N/A SER 209.A OG ILE 206.A O no hydrogen 2.744 N/A TRP 210.A N ALA 207.A O no hydrogen 2.600 N/A SER 211.A N ALA 208.A O no hydrogen 3.029 N/A SER 211.A OG ALA 208.A O no hydrogen 2.722 N/A PHE 213.A N TRP 210.A O no hydrogen 3.212 N/A TRP 214.A N SER 211.A O no hydrogen 3.418 N/A LEU 215.A N VAL 212.A O no hydrogen 3.367 N/A GLU 220.A N SER 217.A OG no hydrogen 3.351 N/A ARG 221.A NH1 GLU 216.A O no hydrogen 3.302 N/A ARG 221.A NH1 SER 217.A O no hydrogen 2.755 N/A ARG 221.A NH2 ASP 283.A OD1 no hydrogen 3.168 N/A LEU 222.A N PHE 218.A O no hydrogen 2.857 N/A GLN 223.A N SER 219.A O no hydrogen 3.167 N/A THR 224.A N GLU 220.A O no hydrogen 3.091 N/A SER 225.A N LEU 222.A O no hydrogen 3.013 N/A SER 225.A OG LEU 222.A O no hydrogen 2.758 N/A THR 227.A N THR 224.A O no hydrogen 2.925 N/A LEU 228.A N THR 224.A O no hydrogen 3.132 N/A MET 229.A N SER 225.A O no hydrogen 2.781 N/A LEU 230.A N PHE 226.A O no hydrogen 3.323 N/A THR 231.A N THR 227.A O no hydrogen 2.880 N/A THR 231.A OG1 THR 227.A O no hydrogen 3.006 N/A VAL 232.A N LEU 228.A O no hydrogen 2.986 N/A VAL 233.A N MET 229.A O no hydrogen 3.062 N/A ALA 234.A N LEU 230.A O no hydrogen 2.961 N/A TYR 235.A N THR 231.A O no hydrogen 2.855 N/A TYR 235.A OH PHE 198.A O no hydrogen 2.705 N/A ALA 236.A N VAL 232.A O no hydrogen 2.686 N/A PHE 237.A N VAL 233.A O no hydrogen 2.923 N/A TYR 238.A N ALA 234.A O no hydrogen 2.933 N/A TYR 238.A OH SER 197.A O no hydrogen 3.379 N/A THR 239.A N TYR 235.A O no hydrogen 2.736 N/A SER 240.A N ALA 236.A O no hydrogen 2.795 N/A SER 240.A OG ALA 236.A O no hydrogen 3.188 N/A SER 240.A OG PHE 237.A O no hydrogen 3.245 N/A ASN 241.A N PHE 237.A O no hydrogen 2.914 N/A LEU 243.A N THR 239.A O no hydrogen 3.019 N/A ARG 245.A NH1 ASN 241.A O no hydrogen 3.433 N/A TYR 248.A OH MET 104.A O no hydrogen 3.388 N/A THR 250.A N ASP 253.A OD2 no hydrogen 3.023 N/A THR 250.A OG1 ASP 253.A OD2 no hydrogen 3.568 N/A ASP 253.A N THR 250.A OG1 no hydrogen 3.271 N/A GLN 254.A N THR 250.A O no hydrogen 3.227 N/A GLN 254.A N VAL 251.A O no hydrogen 2.821 N/A MET 255.A N VAL 251.A O no hydrogen 3.157 N/A ILE 256.A N ILE 252.A O no hydrogen 2.998 N/A ILE 257.A N ASP 253.A O no hydrogen 3.044 N/A ALA 258.A N GLN 254.A O no hydrogen 2.682 N/A GLY 259.A N MET 255.A O no hydrogen 2.811 N/A TYR 260.A N ILE 256.A O no hydrogen 2.952 N/A GLY 261.A N ILE 257.A O no hydrogen 2.945 N/A SER 262.A N ALA 258.A O no hydrogen 2.735 N/A ILE 263.A N GLY 259.A O no hydrogen 3.113 N/A PHE 264.A N TYR 260.A O no hydrogen 3.145 N/A ALA 265.A N GLY 261.A O no hydrogen 2.674 N/A ALA 266.A N SER 262.A O no hydrogen 2.902 N/A ILE 267.A N ILE 263.A O no hydrogen 3.278 N/A LEU 268.A N PHE 264.A O no hydrogen 3.154 N/A LEU 269.A N ALA 265.A O no hydrogen 2.935 N/A ILE 270.A N ALA 266.A O no hydrogen 2.693 N/A ILE 271.A N ILE 267.A O no hydrogen 3.289 N/A PHE 272.A N LEU 268.A O no hydrogen 2.836 N/A ALA 273.A N LEU 269.A O no hydrogen 2.753 N/A HIS 274.A ND1 ASP 283.A OD1 no hydrogen 3.225 N/A HIS 274.A ND1 ASP 283.A OD2 no hydrogen 3.119 N/A HIS 275.A N PHE 272.A O no hydrogen 3.000 N/A ARG 276.A N PHE 272.A O no hydrogen 2.858 N/A ALA 278.A N GLU 282.A OE2 no hydrogen 3.099 N/A ASP 284.A N ALA 273.A O no hydrogen 3.437 N/A GLN 288.A N ASP 284.A O no hydrogen 3.032 N/A ARG 289.A N LEU 286.A O no hydrogen 3.064 N/A CYS 290.A SG ILE 287.A O no hydrogen 3.318 N/A PHE 294.A N CYS 290.A O no hydrogen 3.375 N/A LEU 296.A N LEU 292.A O no hydrogen 3.445 N/A LEU 299.A N PRO 295.A O no hydrogen 3.183 N/A ILE 301.A N GLY 297.A O no hydrogen 3.504 N/A CYS 303.A N ALA 300.A O no hydrogen 3.130 N/A CYS 303.A SG LEU 299.A O no hydrogen 3.297 N/A