Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1iy9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 GLU 2.A OE1 no hydrogen 2.948 N/A TYR 5.A N MET 17.A O no hydrogen 2.840 N/A TYR 5.A OH GLU 34.A OE2 no hydrogen 2.600 N/A THR 6.A OG1 THR 16.A OG1 no hydrogen 2.967 N/A GLU 7.A N ILE 15.A O no hydrogen 2.910 N/A THR 10.A N PHE 13.A O no hydrogen 3.014 N/A THR 10.A OG1 GLN 9.A O no hydrogen 3.153 N/A PHE 13.A N THR 10.A O no hydrogen 3.464 N/A ILE 15.A N GLU 7.A O no hydrogen 3.139 N/A THR 16.A OG1 THR 6.A OG1 no hydrogen 2.967 N/A MET 17.A N TYR 5.A O no hydrogen 2.883 N/A LYS 18.A NZ SER 1.A O no hydrogen 2.688 N/A LYS 18.A NZ GLU 2.A OE1 no hydrogen 3.456 N/A VAL 19.A N LEU 3.A O no hydrogen 2.886 N/A ASN 20.A N GLU 37.A O no hydrogen 2.826 N/A ASN 20.A ND2 GLU 37.A OE2 no hydrogen 2.921 N/A ASN 20.A ND2 GLU 39.A OE1 no hydrogen 3.013 N/A LEU 23.A N MET 35.A O no hydrogen 2.847 N/A HIS 24.A N MET 35.A O no hydrogen 3.096 N/A HIS 24.A NE2 GLU 26.A OE1 no hydrogen 2.843 N/A GLU 26.A N LEU 33.A O no hydrogen 2.940 N/A THR 28.A N GLN 31.A O no hydrogen 2.737 N/A THR 28.A OG1 ASP 108.A OD2 no hydrogen 3.387 N/A GLN 31.A NE2 ASP 108.A OD2 no hydrogen 2.858 N/A HIS 32.A N ASP 48.A OD1 no hydrogen 3.104 N/A LEU 33.A N GLU 26.A O no hydrogen 2.884 N/A GLU 34.A N PHE 46.A O no hydrogen 3.026 N/A MET 35.A N HIS 24.A O no hydrogen 2.688 N/A VAL 36.A N MET 44.A O no hydrogen 2.897 N/A GLU 37.A N LYS 21.A O no hydrogen 2.891 N/A THR 38.A N GLY 42.A O no hydrogen 2.933 N/A THR 38.A OG1 GLY 42.A O no hydrogen 2.868 N/A GLU 39.A N LYS 18.A O no hydrogen 3.107 N/A PHE 41.A N THR 38.A OG1 no hydrogen 2.981 N/A GLY 42.A N THR 38.A O no hydrogen 3.174 N/A ASN 43.A N GLU 55.A OE1 no hydrogen 3.004 N/A ASN 43.A ND2 PHE 118.A O no hydrogen 2.744 N/A MET 44.A N VAL 36.A O no hydrogen 2.783 N/A LEU 45.A N THR 53.A O no hydrogen 2.947 N/A PHE 46.A N GLU 34.A O no hydrogen 2.964 N/A LEU 47.A N MET 50.A O no hydrogen 2.859 N/A ASP 48.A N HIS 32.A O no hydrogen 2.924 N/A MET 50.A N LEU 47.A O no hydrogen 3.116 N/A VAL 51.A N GLU 7.A OE1 no hydrogen 3.258 N/A MET 52.A N LEU 45.A O no hydrogen 2.782 N/A SER 54.A OG ASP 57.A OD1 no hydrogen 2.589 N/A GLU 55.A N ASN 43.A O no hydrogen 2.954 N/A LYS 56.A N PHE 41.A O no hydrogen 2.912 N/A LYS 56.A NZ GLU 40.A OE2 no hydrogen 3.075 N/A ASP 57.A N SER 54.A OG no hydrogen 3.325 N/A GLU 58.A N SER 54.A O no hydrogen 3.146 N/A VAL 60.A N ASP 57.A O no hydrogen 3.361 N/A HIS 62.A N GLU 58.A O no hydrogen 3.306 N/A GLU 63.A N PHE 59.A O no hydrogen 2.906 N/A MET 64.A N VAL 60.A O no hydrogen 2.941 N/A VAL 65.A N TYR 61.A O no hydrogen 3.004 N/A ALA 66.A N HIS 62.A O no hydrogen 3.267 N/A HIS 67.A N GLU 63.A O no hydrogen 2.861 N/A HIS 67.A ND1 HIS 96.A NE2 no hydrogen 3.083 N/A HIS 67.A NE2 GLU 92.A OE2 no hydrogen 2.816 N/A LEU 70.A N ALA 66.A O no hydrogen 3.170 N/A PHE 71.A N HIS 67.A O no hydrogen 3.062 N/A THR 72.A N VAL 68.A O no hydrogen 3.172 N/A THR 72.A OG1 VAL 68.A O no hydrogen 2.645 N/A HIS 73.A N PRO 69.A O no hydrogen 3.098 N/A GLU 77.A N ASP 150.A OD2 no hydrogen 2.749 N/A HIS 78.A N ASP 150.A OD2 no hydrogen 2.952 N/A VAL 79.A N LYS 101.A O no hydrogen 3.154 N/A LEU 80.A N VAL 151.A O no hydrogen 2.961 N/A VAL 81.A N THR 103.A O no hydrogen 2.849 N/A VAL 82.A N MET 153.A O no hydrogen 2.952 N/A GLY 83.A N VAL 105.A O no hydrogen 2.797 N/A GLY 87.A N GLY 84.A O no hydrogen 2.756 N/A GLY 88.A N ASP 86.A OD1 no hydrogen 3.217 N/A ARG 91.A N GLY 87.A O no hydrogen 2.930 N/A ARG 91.A NE SER 121.A O no hydrogen 3.394 N/A ARG 91.A NH1 GLU 58.A OE1 no hydrogen 3.315 N/A ARG 91.A NH1 GLU 92.A OE1 no hydrogen 2.781 N/A ARG 91.A NH2 GLU 58.A OE1 no hydrogen 2.847 N/A ARG 91.A NH2 GLU 58.A OE2 no hydrogen 3.010 N/A ARG 91.A NH2 SER 121.A O no hydrogen 3.066 N/A GLU 92.A N GLY 88.A O no hydrogen 3.341 N/A ILE 93.A N VAL 89.A O no hydrogen 2.855 N/A LEU 94.A N ILE 90.A O no hydrogen 3.064 N/A LYS 95.A N GLU 92.A O no hydrogen 3.056 N/A LYS 95.A NZ GLU 92.A OE1 no hydrogen 2.977 N/A LYS 95.A NZ GLU 92.A OE2 no hydrogen 2.768 N/A LYS 95.A NZ GLU 251.A O no hydrogen 2.710 N/A HIS 96.A N ILE 93.A O no hydrogen 3.077 N/A HIS 96.A NE2 HIS 67.A ND1 no hydrogen 3.083 N/A SER 98.A OG PRO 76.A O no hydrogen 2.849 N/A VAL 99.A N HIS 96.A O no hydrogen 3.112 N/A LYS 100.A N GLU 77.A O no hydrogen 2.767 N/A LYS 100.A NZ GLU 77.A OE1 no hydrogen 3.532 N/A LYS 100.A NZ SER 98.A O no hydrogen 3.520 N/A LYS 101.A N GLU 77.A O no hydrogen 3.184 N/A ALA 102.A N ARG 130.A O no hydrogen 2.902 N/A THR 103.A N VAL 79.A O no hydrogen 2.870 N/A LEU 104.A N ASP 132.A O no hydrogen 2.950 N/A VAL 105.A N VAL 81.A O no hydrogen 2.893 N/A ASP 106.A N GLN 134.A O no hydrogen 3.147 N/A ASP 108.A N ASP 106.A OD1 no hydrogen 2.977 N/A LYS 110.A N ASP 108.A OD1 no hydrogen 3.169 N/A LYS 110.A NZ GLU 26.A OE2 no hydrogen 3.016 N/A LYS 110.A NZ GLU 29.A OE2 no hydrogen 2.809 N/A VAL 111.A N ASP 108.A O no hydrogen 3.225 N/A GLU 113.A N GLY 109.A O no hydrogen 2.949 N/A TYR 114.A N LYS 110.A O no hydrogen 3.036 N/A SER 115.A N VAL 111.A O no hydrogen 2.960 N/A SER 115.A OG VAL 111.A O no hydrogen 2.780 N/A LYS 116.A N ILE 112.A O no hydrogen 2.982 N/A LYS 117.A N GLU 113.A O no hydrogen 3.188 N/A PHE 118.A N TYR 114.A O no hydrogen 2.786 N/A LEU 119.A N SER 115.A O no hydrogen 2.774 N/A ILE 122.A N LEU 119.A O no hydrogen 2.916 N/A ALA 123.A N LEU 119.A O no hydrogen 2.814 N/A GLY 124.A N PRO 120.A O no hydrogen 2.794 N/A LEU 126.A N ALA 123.A O no hydrogen 3.222 N/A ASP 128.A N LYS 125.A O no hydrogen 3.067 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 2.877 N/A ARG 130.A NH1 HIS 96.A O no hydrogen 3.192 N/A ARG 130.A NH1 VAL 99.A O no hydrogen 3.000 N/A ARG 130.A NH2 LEU 94.A O no hydrogen 2.751 N/A VAL 131.A N ASP 128.A O no hydrogen 3.032 N/A ASP 132.A N ALA 102.A O no hydrogen 3.004 N/A GLN 134.A N LEU 104.A O no hydrogen 2.813 N/A MET 140.A N ASP 137.A OD1 no hydrogen 2.907 N/A ILE 142.A N GLY 138.A O no hydrogen 2.875 N/A ALA 143.A N PHE 139.A O no hydrogen 2.885 N/A LYS 144.A N MET 140.A O no hydrogen 2.978 N/A SER 145.A N ILE 142.A O no hydrogen 3.157 N/A SER 145.A OG HIS 141.A O no hydrogen 3.046 N/A SER 145.A OG GLN 148.A OE1 no hydrogen 3.039 N/A GLU 146.A N GLN 148.A OE1 no hydrogen 3.416 N/A ASN 147.A N LYS 177.A O no hydrogen 2.730 N/A GLN 148.A N ALA 178.A O no hydrogen 2.900 N/A TYR 149.A N ALA 178.A O no hydrogen 3.182 N/A ASP 150.A N HIS 78.A O no hydrogen 2.775 N/A ILE 152.A N ILE 184.A O no hydrogen 2.994 N/A MET 153.A N LEU 80.A O no hydrogen 2.796 N/A VAL 154.A N VAL 186.A O no hydrogen 2.879 N/A SER 156.A OG GLU 158.A O no hydrogen 3.283 N/A THR 157.A OG1 TYR 172.A OH no hydrogen 2.578 N/A GLU 158.A N SER 156.A OG no hydrogen 3.074 N/A LEU 166.A N VAL 164.A O no hydrogen 2.726 N/A TYR 172.A OH THR 157.A OG1 no hydrogen 2.578 N/A GLY 174.A N GLY 170.A O no hydrogen 2.799 N/A ILE 175.A N PHE 171.A O no hydrogen 2.863 N/A ALA 176.A N TYR 172.A O no hydrogen 2.845 N/A LYS 177.A N ALA 173.A O no hydrogen 2.980 N/A LYS 177.A NZ ALA 143.A O no hydrogen 3.098 N/A LYS 177.A NZ SER 145.A O no hydrogen 2.904 N/A ALA 178.A N GLY 174.A O no hydrogen 3.145 N/A LEU 179.A N ILE 175.A O no hydrogen 2.923 N/A LYS 180.A N TYR 149.A O no hydrogen 2.808 N/A GLY 183.A N LYS 180.A O no hydrogen 2.829 N/A ILE 184.A N ASP 150.A O no hydrogen 2.887 N/A PHE 185.A N GLY 233.A O no hydrogen 2.822 N/A VAL 186.A N ILE 152.A O no hydrogen 3.042 N/A ALA 187.A N THR 231.A O no hydrogen 2.969 N/A GLN 188.A NE2 ASP 155.A O no hydrogen 2.951 N/A THR 189.A N THR 229.A O no hydrogen 2.775 N/A ASN 191.A ND2 ASP 190.A OD1 no hydrogen 3.131 N/A TRP 193.A N ASN 191.A OD1 no hydrogen 2.992 N/A PHE 194.A N ASN 191.A OD1 no hydrogen 2.902 N/A THR 195.A OG1 ASP 190.A OD1 no hydrogen 2.909 N/A THR 195.A OG1 ASN 191.A O no hydrogen 3.458 N/A THR 200.A N PRO 196.A O no hydrogen 3.362 N/A THR 200.A OG1 PRO 196.A O no hydrogen 3.497 N/A THR 200.A OG1 LEU 273.A O no hydrogen 2.849 N/A ASN 201.A N GLU 197.A O no hydrogen 2.974 N/A VAL 202.A N LEU 198.A O no hydrogen 2.961 N/A GLN 203.A N ILE 199.A O no hydrogen 3.051 N/A ARG 204.A N THR 200.A O no hydrogen 3.034 N/A ASP 205.A N ASN 201.A O no hydrogen 2.880 N/A VAL 206.A N VAL 202.A O no hydrogen 2.805 N/A LYS 207.A N GLN 203.A O no hydrogen 3.172 N/A GLU 208.A N ARG 204.A O no hydrogen 3.282 N/A ILE 209.A N VAL 206.A O no hydrogen 2.999 N/A PHE 210.A N VAL 206.A O no hydrogen 2.956 N/A ILE 212.A N SER 234.A O no hydrogen 3.236 N/A THR 213.A OG1 PHE 210.A O no hydrogen 3.491 N/A LYS 214.A N ILE 232.A O no hydrogen 3.125 N/A TYR 216.A N PHE 230.A O no hydrogen 2.765 N/A TYR 216.A OH MET 64.A O no hydrogen 2.793 N/A THR 217.A N ALA 263.A O no hydrogen 2.812 N/A ALA 218.A N TRP 228.A O no hydrogen 3.136 N/A ASN 219.A N TYR 254.A OH no hydrogen 3.171 N/A THR 222.A OG1 ASP 57.A OD2 no hydrogen 2.751 N/A TYR 223.A N ILE 220.A O no hydrogen 2.963 N/A TYR 223.A OH MET 52.A O no hydrogen 2.689 N/A SER 225.A OG PRO 224.A O no hydrogen 2.560 N/A GLY 226.A N TYR 223.A O no hydrogen 3.023 N/A LEU 227.A N SER 225.A OG no hydrogen 3.402 N/A TRP 228.A N ALA 218.A O no hydrogen 2.807 N/A TRP 228.A NE1 GLN 188.A OE1 no hydrogen 2.928 N/A PHE 230.A N TYR 216.A O no hydrogen 2.795 N/A THR 231.A N ALA 187.A O no hydrogen 2.840 N/A THR 231.A OG1 GLN 203.A OE1 no hydrogen 3.082 N/A ILE 232.A N LYS 214.A O no hydrogen 3.019 N/A GLY 233.A N PHE 185.A O no hydrogen 2.889 N/A SER 234.A N ILE 212.A O no hydrogen 2.851 N/A SER 234.A OG TYR 237.A O no hydrogen 2.657 N/A LYS 235.A N GLY 183.A O no hydrogen 3.031 N/A LYS 235.A NZ ALA 176.A O no hydrogen 2.643 N/A LYS 235.A NZ LYS 180.A O no hydrogen 2.874 N/A LYS 236.A NZ TYR 237.A OH no hydrogen 3.428 N/A TYR 237.A OH ASP 182.A OD1 no hydrogen 2.729 N/A LEU 240.A N ASP 238.A OD1 no hydrogen 2.823 N/A ALA 241.A N ASP 238.A O no hydrogen 2.976 N/A ARG 246.A N GLU 243.A O no hydrogen 2.948 N/A ARG 246.A NE HIS 73.A O no hydrogen 3.056 N/A ARG 246.A NH1 ARG 246.A O no hydrogen 3.416 N/A ARG 246.A NH2 HIS 73.A O no hydrogen 2.602 N/A PHE 247.A N ASP 244.A O no hydrogen 3.329 N/A THR 252.A OG1 TYR 255.A O no hydrogen 2.704 N/A LYS 253.A N GLU 63.A OE2 no hydrogen 2.832 N/A TYR 254.A N GLU 63.A OE1 no hydrogen 2.887 N/A TYR 255.A N GLU 63.A OE1 no hydrogen 2.882 N/A TYR 255.A OH HIS 260.A ND1 no hydrogen 2.594 N/A LYS 257.A NZ ASP 244.A OD1 no hydrogen 3.304 N/A HIS 260.A N THR 256.A O no hydrogen 2.809 N/A HIS 260.A ND1 TYR 255.A OH no hydrogen 2.594 N/A HIS 260.A NE2 PRO 239.A O no hydrogen 2.786 N/A LYS 261.A NZ LEU 240.A O no hydrogen 3.087 N/A ALA 262.A N ASP 258.A O no hydrogen 2.854 N/A ALA 263.A N ILE 259.A O no hydrogen 2.775 N/A PHE 264.A N LYS 261.A O no hydrogen 3.133 N/A VAL 265.A N ALA 262.A O no hydrogen 3.032 N/A LYS 268.A NZ ASP 272.A OD1 no hydrogen 3.381 N/A VAL 270.A N PRO 267.A O no hydrogen 2.783 N/A SER 271.A N PRO 267.A O no hydrogen 3.175 N/A SER 271.A OG PRO 267.A O no hydrogen 3.347 N/A ASP 272.A N LYS 268.A O no hydrogen 3.180 N/A LEU 273.A N VAL 270.A O no hydrogen 3.033 N/A ILE 274.A N SER 271.A O no hydrogen 2.894 N/A