Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6iwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N MET 1.A O no hydrogen 2.709 N/A ARG 6.A N ASP 2.A O no hydrogen 3.075 N/A THR 7.A N GLU 3.A O no hydrogen 2.936 N/A THR 7.A OG1 GLU 3.A O no hydrogen 2.663 N/A LEU 8.A N ARG 4.A O no hydrogen 3.001 N/A LYS 9.A N PHE 5.A O no hydrogen 3.020 N/A LYS 10.A N ARG 6.A O no hydrogen 3.037 N/A LYS 11.A N THR 7.A O no hydrogen 3.079 N/A LEU 12.A N LEU 8.A O no hydrogen 3.085 N/A GLU 13.A N LYS 9.A O no hydrogen 3.023 N/A GLU 13.A N LYS 10.A O no hydrogen 2.932 N/A GLU 14.A N LYS 11.A O no hydrogen 3.169 N/A GLU 20.A N MET 16.A O no hydrogen 2.902 N/A TYR 21.A N VAL 17.A O no hydrogen 3.231 N/A TYR 21.A OH ILE 268.A O no hydrogen 3.070 N/A GLU 22.A N PHE 18.A O no hydrogen 3.337 N/A GLN 23.A N GLU 20.A O no hydrogen 3.264 N/A ILE 24.A N TYR 21.A O no hydrogen 3.078 N/A LYS 28.A N TYR 53.A OH no hydrogen 3.023 N/A LYS 28.A NZ GLU 55.A OE1 no hydrogen 2.223 N/A THR 35.A N GLU 54.A OE1 no hydrogen 2.746 N/A THR 35.A OG1 GLU 54.A OE1 no hydrogen 3.232 N/A THR 35.A OG1 GLU 54.A OE2 no hydrogen 2.435 N/A ALA 37.A N PHE 33.A O no hydrogen 2.866 N/A ALA 37.A N SER 34.A O no hydrogen 3.263 N/A LEU 38.A N THR 35.A O no hydrogen 3.234 N/A ASN 41.A N LEU 38.A O no hydrogen 2.882 N/A ASN 41.A ND2 THR 35.A O no hydrogen 2.931 N/A ASN 41.A ND2 THR 68.A OG1 no hydrogen 3.095 N/A ALA 42.A N PRO 39.A O no hydrogen 3.273 N/A ARG 44.A N ASN 41.A O no hydrogen 3.301 N/A ARG 44.A NH1 ASN 41.A OD1 no hydrogen 2.723 N/A ARG 44.A NH2 GLU 65.A O no hydrogen 2.676 N/A ARG 44.A NH2 GLU 65.A OE2 no hydrogen 3.181 N/A SER 45.A N ALA 42.A O no hydrogen 3.432 N/A SER 45.A OG TYR 70.A OH no hydrogen 3.040 N/A ARG 46.A N GLN 91.A OE1 no hydrogen 2.599 N/A ARG 46.A NE GLY 92.A O no hydrogen 3.021 N/A ARG 46.A NH1 GLY 92.A O no hydrogen 3.292 N/A ARG 46.A NH1 PRO 93.A O no hydrogen 2.834 N/A VAL 50.A N ILE 47.A O no hydrogen 2.996 N/A TYR 53.A OH ARG 261.A O no hydrogen 3.183 N/A GLU 54.A N ILE 32.A O no hydrogen 2.837 N/A GLU 55.A N GLU 55.A OE2 no hydrogen 2.804 N/A ASN 56.A ND2 HIS 75.A O no hydrogen 2.855 N/A ASN 56.A ND2 GLN 263.A O no hydrogen 2.826 N/A ARG 57.A NE GLU 54.A OE2 no hydrogen 3.166 N/A ARG 57.A NH1 THR 68.A O no hydrogen 3.444 N/A ARG 57.A NH1 GLY 69.A O no hydrogen 3.184 N/A ARG 57.A NH2 THR 68.A O no hydrogen 2.979 N/A VAL 58.A N ALA 73.A O no hydrogen 2.983 N/A LEU 60.A N GLY 69.A O no hydrogen 2.890 N/A ILE 61.A N GLU 107.A OE1 no hydrogen 3.312 N/A ILE 61.A N GLU 107.A OE2 no hydrogen 2.843 N/A THR 63.A N ASN 66.A O no hydrogen 3.083 N/A ASN 66.A N THR 63.A O no hydrogen 3.217 N/A ASN 66.A N THR 63.A OG1 no hydrogen 2.987 N/A ASN 66.A ND2 TYR 70.A O no hydrogen 2.918 N/A ASN 66.A ND2 ASP 100.A OD1 no hydrogen 3.253 N/A GLY 69.A N ASN 66.A O no hydrogen 3.141 N/A TYR 70.A N ASN 66.A OD1 no hydrogen 3.037 N/A TYR 70.A OH SER 45.A OG no hydrogen 3.040 N/A ASN 72.A ND2 SER 45.A OG no hydrogen 3.337 N/A ASN 72.A ND2 VAL 50.A O no hydrogen 2.735 N/A SER 74.A N ALA 89.A O no hydrogen 2.931 N/A HIS 75.A N ASN 56.A O no hydrogen 2.914 N/A HIS 75.A ND1 HIS 86.A NE2 no hydrogen 2.986 N/A ILE 76.A N TYR 87.A O no hydrogen 2.762 N/A LYS 77.A N GLN 263.A OE1 no hydrogen 2.786 N/A VAL 78.A N TRP 85.A O no hydrogen 3.042 N/A VAL 80.A N ALA 83.A O no hydrogen 2.794 N/A ALA 83.A N VAL 80.A O no hydrogen 3.084 N/A TRP 85.A N VAL 78.A O no hydrogen 2.681 N/A HIS 86.A NE2 HIS 75.A ND1 no hydrogen 2.986 N/A TYR 87.A N ILE 76.A O no hydrogen 2.849 N/A TYR 87.A OH GLU 239.A OE1 no hydrogen 2.521 N/A ILE 88.A N ILE 221.A O no hydrogen 2.909 N/A ALA 89.A N SER 74.A O no hydrogen 3.008 N/A THR 90.A N VAL 223.A O no hydrogen 2.998 N/A THR 90.A OG1 ASN 72.A O no hydrogen 2.656 N/A GLN 91.A N ASN 72.A O no hydrogen 3.414 N/A GLN 91.A NE2 ARG 44.A O no hydrogen 2.922 N/A GLY 92.A N SER 226.A O no hydrogen 3.030 N/A LEU 94.A N THR 97.A OG1 no hydrogen 2.944 N/A HIS 96.A NE2 GLU 43.A O no hydrogen 2.772 N/A THR 97.A N LEU 94.A O no hydrogen 3.043 N/A THR 97.A OG1 LEU 94.A O no hydrogen 3.459 N/A CYS 98.A SG LEU 94.A O no hydrogen 3.489 N/A CYS 98.A SG PRO 95.A O no hydrogen 4.046 N/A HIS 99.A NE2 GLU 65.A OE1 no hydrogen 2.720 N/A PHE 101.A N THR 97.A O no hydrogen 2.931 N/A TRP 102.A N CYS 98.A O no hydrogen 3.080 N/A TRP 102.A NE1 TYR 130.A O no hydrogen 2.873 N/A GLN 103.A N HIS 99.A O no hydrogen 2.959 N/A GLN 103.A NE2 GLU 107.A OE2 no hydrogen 2.638 N/A MET 104.A N ASP 100.A O no hydrogen 2.908 N/A VAL 105.A N PHE 101.A O no hydrogen 2.945 N/A TRP 106.A N TRP 102.A O no hydrogen 2.940 N/A GLU 107.A N GLN 103.A O no hydrogen 2.939 N/A GLN 108.A N MET 104.A O no hydrogen 3.002 N/A GLY 109.A N TRP 106.A O no hydrogen 3.109 N/A VAL 110.A N VAL 105.A O no hydrogen 3.047 N/A ILE 113.A N TRP 178.A O no hydrogen 2.847 N/A ALA 114.A N VAL 222.A O no hydrogen 2.644 N/A MET 115.A N LEU 180.A O no hydrogen 2.850 N/A VAL 116.A N HIS 224.A O no hydrogen 2.921 N/A THR 117.A OG1 ALA 118.A O no hydrogen 3.012 N/A THR 117.A OG1 GLU 121.A OE2 no hydrogen 2.891 N/A ALA 118.A N GLU 121.A OE2 no hydrogen 3.147 N/A GLU 121.A N ARG 124.A O no hydrogen 3.000 N/A ARG 124.A N GLU 121.A O no hydrogen 3.110 N/A THR 125.A OG1 GLU 120.A OE1 no hydrogen 2.340 N/A LYS 126.A N GLU 119.A O no hydrogen 2.724 N/A SER 127.A N GLU 119.A O no hydrogen 3.123 N/A SER 127.A OG HIS 128.A O no hydrogen 2.873 N/A HIS 128.A N PRO 93.A O no hydrogen 2.888 N/A ARG 129.A NE TRP 131.A O no hydrogen 2.949 N/A ARG 129.A NH1 GLU 119.A OE1 no hydrogen 3.008 N/A ARG 129.A NH2 PRO 132.A O no hydrogen 3.106 N/A TYR 130.A OH HIS 224.A NE2 no hydrogen 2.709 N/A GLY 135.A N SER 139.A OG no hydrogen 2.676 N/A SER 136.A N LYS 133.A O no hydrogen 3.259 N/A SER 140.A N LYS 137.A O no hydrogen 3.007 N/A SER 140.A OG VAL 148.A O no hydrogen 2.984 N/A SER 140.A OG THR 149.A OG1 no hydrogen 3.357 N/A ALA 141.A N VAL 148.A O no hydrogen 2.956 N/A TYR 143.A N PHE 146.A O no hydrogen 2.805 N/A PHE 146.A N TYR 143.A O no hydrogen 3.139 N/A LYS 147.A N LYS 167.A O no hydrogen 2.909 N/A VAL 148.A N ALA 141.A O no hydrogen 2.801 N/A THR 149.A N LYS 165.A O no hydrogen 2.767 N/A THR 149.A OG1 SER 140.A OG no hydrogen 3.357 N/A THR 150.A N SER 139.A O no hydrogen 2.954 N/A THR 150.A OG1 PRO 132.A O no hydrogen 3.169 N/A LYS 151.A N GLY 163.A O no hydrogen 2.857 N/A THR 154.A N THR 161.A O no hydrogen 2.804 N/A SER 156.A N TYR 159.A O no hydrogen 2.766 N/A CYS 158.A SG ASP 193.A OD2 no hydrogen 3.811 N/A ALA 160.A N GLN 181.A O no hydrogen 2.897 N/A THR 161.A N THR 154.A O no hydrogen 2.974 N/A THR 161.A OG1 GLU 203.A OE1 no hydrogen 2.833 N/A THR 162.A N HIS 179.A O no hydrogen 2.821 N/A GLY 163.A N PHE 152.A O no hydrogen 3.016 N/A LEU 164.A N VAL 177.A O no hydrogen 2.823 N/A LYS 165.A N THR 149.A O no hydrogen 2.765 N/A VAL 166.A N ARG 175.A O no hydrogen 2.757 N/A LYS 167.A N LYS 147.A O no hydrogen 2.765 N/A HIS 168.A N GLN 173.A O no hydrogen 2.851 N/A LEU 169.A N LYS 145.A O no hydrogen 2.802 N/A LEU 170.A N HIS 168.A ND1 no hydrogen 3.267 N/A SER 171.A N HIS 168.A ND1 no hydrogen 3.330 N/A GLY 172.A N HIS 168.A O no hydrogen 2.735 N/A GLN 173.A N SER 171.A OG no hydrogen 3.136 N/A ARG 175.A N VAL 166.A O no hydrogen 2.838 N/A ARG 175.A NH1 TRP 106.A O no hydrogen 2.759 N/A VAL 177.A N LEU 164.A O no hydrogen 2.901 N/A TRP 178.A N ASN 111.A O no hydrogen 2.789 N/A HIS 179.A N THR 162.A O no hydrogen 2.808 N/A HIS 179.A NE2 TYR 130.A OH no hydrogen 2.840 N/A LEU 180.A N ILE 113.A O no hydrogen 2.790 N/A GLN 181.A N ALA 160.A O no hydrogen 2.912 N/A GLN 181.A NE2 THR 117.A O no hydrogen 2.861 N/A TYR 182.A N MET 115.A O no hydrogen 2.889 N/A THR 183.A N CYS 158.A O no hydrogen 2.875 N/A TRP 185.A NE1 GLY 189.A O no hydrogen 2.919 N/A GLY 196.A N ASP 193.A OD1 no hydrogen 3.064 N/A PHE 197.A N ASP 193.A O no hydrogen 3.451 N/A LEU 198.A N VAL 194.A O no hydrogen 3.022 N/A SER 199.A N GLN 195.A O no hydrogen 2.910 N/A SER 199.A OG GLN 195.A O no hydrogen 3.183 N/A TYR 200.A N GLY 196.A O no hydrogen 3.034 N/A TYR 200.A OH LEU 180.A O no hydrogen 2.800 N/A LEU 201.A N PHE 197.A O no hydrogen 3.011 N/A GLU 202.A N LEU 198.A O no hydrogen 2.950 N/A GLU 203.A N SER 199.A O no hydrogen 2.995 N/A ILE 204.A N TYR 200.A O no hydrogen 2.993 N/A GLN 205.A N LEU 201.A O no hydrogen 2.976 N/A SER 206.A N GLU 202.A O no hydrogen 2.887 N/A VAL 207.A N GLU 203.A O no hydrogen 2.835 N/A ARG 208.A N ILE 204.A O no hydrogen 2.890 N/A ARG 208.A NH1 GLU 239.A OE1 no hydrogen 2.960 N/A ARG 208.A NH1 GLU 239.A OE2 no hydrogen 3.559 N/A ARG 208.A NH2 GLU 239.A OE2 no hydrogen 2.963 N/A ARG 209.A N GLN 205.A O no hydrogen 3.159 N/A ARG 209.A NH2 GLN 205.A OE1 no hydrogen 3.175 N/A HIS 210.A N SER 206.A O no hydrogen 3.019 N/A THR 211.A N VAL 207.A O no hydrogen 2.887 N/A THR 211.A OG1 VAL 207.A O no hydrogen 3.079 N/A THR 211.A OG1 ARG 208.A O no hydrogen 3.140 N/A ASN 212.A N ARG 208.A O no hydrogen 2.989 N/A SER 213.A N ARG 209.A O no hydrogen 2.961 N/A SER 213.A OG HIS 210.A O no hydrogen 2.712 N/A MET 214.A N HIS 210.A O no hydrogen 3.017 N/A LEU 215.A N THR 211.A O no hydrogen 3.359 N/A GLU 216.A N SER 213.A O no hydrogen 3.195 N/A VAL 222.A N VAL 112.A O no hydrogen 3.036 N/A VAL 223.A N ILE 88.A O no hydrogen 2.846 N/A HIS 224.A N ALA 114.A O no hydrogen 2.987 N/A HIS 224.A ND1 CYS 225.A O no hydrogen 3.143 N/A HIS 224.A NE2 TYR 130.A OH no hydrogen 2.709 N/A CYS 225.A SG THR 232.A OG1 no hydrogen 3.231 N/A ARG 231.A NH1 VAL 116.A O no hydrogen 3.288 N/A ARG 231.A NH1 GLU 121.A OE2 no hydrogen 2.724 N/A ARG 231.A NH2 GLU 121.A OE1 no hydrogen 2.675 N/A GLY 233.A N VAL 229.A O no hydrogen 3.086 N/A VAL 234.A N GLY 230.A O no hydrogen 2.940 N/A LEU 235.A N ARG 231.A O no hydrogen 2.931 N/A ILE 236.A N THR 232.A O no hydrogen 3.055 N/A LEU 237.A N GLY 233.A O no hydrogen 2.877 N/A SER 238.A N VAL 234.A O no hydrogen 2.967 N/A SER 238.A OG VAL 234.A O no hydrogen 2.739 N/A GLU 239.A N LEU 235.A O no hydrogen 2.980 N/A LEU 240.A N ILE 236.A O no hydrogen 2.964 N/A MET 241.A N LEU 237.A O no hydrogen 2.854 N/A ILE 242.A N SER 238.A O no hydrogen 2.870 N/A TYR 243.A N GLU 239.A O no hydrogen 3.037 N/A CYS 244.A N LEU 240.A O no hydrogen 2.880 N/A CYS 244.A SG LEU 240.A O no hydrogen 3.414 N/A LEU 245.A N MET 241.A O no hydrogen 2.860 N/A GLU 246.A N ILE 242.A O no hydrogen 2.948 N/A HIS 247.A N TYR 243.A O no hydrogen 3.085 N/A HIS 247.A ND1 TYR 243.A O no hydrogen 3.070 N/A ASN 248.A N LEU 245.A O no hydrogen 3.390 N/A GLU 249.A N CYS 244.A O no hydrogen 2.825 N/A MET 256.A N GLU 252.A O no hydrogen 3.029 N/A LEU 257.A N VAL 253.A O no hydrogen 2.907 N/A ARG 258.A N PRO 254.A O no hydrogen 2.946 N/A LEU 259.A N MET 255.A O no hydrogen 3.142 N/A LEU 260.A N MET 256.A O no hydrogen 2.982 N/A ARG 261.A N LEU 257.A O no hydrogen 2.896 N/A ARG 261.A NE MET 267.A O no hydrogen 2.672 N/A ARG 261.A NH1 PRO 25.A O no hydrogen 3.189 N/A ARG 261.A NH2 MET 267.A O no hydrogen 3.134 N/A ARG 261.A NH2 ILE 268.A O no hydrogen 2.818 N/A GLU 262.A N ARG 258.A O no hydrogen 2.941 N/A GLN 263.A N LEU 260.A O no hydrogen 2.919 N/A GLN 263.A NE2 LYS 77.A O no hydrogen 2.922 N/A GLN 263.A NE2 LEU 259.A O no hydrogen 3.463 N/A ARG 264.A N LEU 260.A O no hydrogen 2.901 N/A ARG 264.A NE GLY 228.A O no hydrogen 3.027 N/A ARG 264.A NH1 ASN 72.A OD1 no hydrogen 3.303 N/A ARG 264.A NH1 SER 74.A OG no hydrogen 2.809 N/A ARG 264.A NH2 ASN 72.A OD1 no hydrogen 2.905 N/A ARG 264.A NH2 ALA 227.A O no hydrogen 3.029 N/A PHE 266.A N LYS 26.A O no hydrogen 2.768 N/A ILE 268.A N VAL 229.A O no hydrogen 2.843 N/A GLN 269.A N GLN 273.A OE1 no hydrogen 2.915 N/A GLN 273.A N THR 270.A OG1 no hydrogen 3.113 N/A TYR 274.A N THR 270.A O no hydrogen 3.119 N/A LYS 275.A N ILE 271.A O no hydrogen 2.841 N/A PHE 276.A N ALA 272.A O no hydrogen 2.932 N/A VAL 277.A N GLN 273.A O no hydrogen 3.085 N/A TYR 278.A N TYR 274.A O no hydrogen 3.357 N/A GLN 279.A N LYS 275.A O no hydrogen 3.094 N/A VAL 280.A N PHE 276.A O no hydrogen 2.903 N/A LEU 281.A N VAL 277.A O no hydrogen 2.952 N/A ILE 282.A N TYR 278.A O no hydrogen 2.857 N/A GLN 283.A N GLN 279.A O no hydrogen 2.992 N/A PHE 284.A N VAL 280.A O no hydrogen 2.901 N/A LEU 285.A N LEU 281.A O no hydrogen 3.015 N/A GLN 286.A N ILE 282.A O no hydrogen 2.817 N/A ASN 287.A N GLN 283.A O no hydrogen 2.820 N/A ASN 287.A ND2 GLN 195.A OE1 no hydrogen 2.359 N/A SER 288.A N PHE 284.A O no hydrogen 3.210 N/A SER 288.A OG PHE 284.A O no hydrogen 3.310 N/A ARG 289.A N LEU 285.A O no hydrogen 3.362 N/A