Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7t1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N LEU 37.A O no hydrogen 3.117 N/A TYR 5.A N ASN 35.A O no hydrogen 3.039 N/A TYR 5.A OH GLU 114.A OE1 no hydrogen 2.673 N/A CYS 7.A N ASN 35.A OD1 no hydrogen 3.036 N/A CYS 7.A SG TYR 5.A O no hydrogen 3.829 N/A CYS 7.A SG TYR 9.A OH no hydrogen 3.827 N/A TYR 9.A OH SER 30.A OG no hydrogen 2.445 N/A ASN 12.A N TYR 9.A O no hydrogen 2.844 N/A THR 13.A N ASP 11.A OD1 no hydrogen 3.032 N/A THR 13.A OG1 ASP 11.A O no hydrogen 3.077 N/A THR 13.A OG1 ASP 11.A OD1 no hydrogen 3.118 N/A PHE 14.A N MET 68.A O no hydrogen 2.918 N/A LEU 16.A N HIS 70.A O no hydrogen 2.957 N/A ALA 17.A N VAL 28.A O no hydrogen 2.811 N/A ILE 18.A N ILE 72.A O no hydrogen 2.730 N/A ASP 19.A N LYS 26.A O no hydrogen 2.774 N/A ILE 20.A N THR 74.A O no hydrogen 2.948 N/A GLY 21.A N LEU 24.A O no hydrogen 2.798 N/A ALA 25.A N ILE 42.A O no hydrogen 2.843 N/A LYS 26.A N ASP 19.A O no hydrogen 2.824 N/A LYS 26.A NZ LEU 24.A O no hydrogen 2.800 N/A VAL 27.A N TYR 40.A O no hydrogen 2.933 N/A VAL 28.A N ALA 17.A O no hydrogen 2.768 N/A PHE 29.A N MET 38.A O no hydrogen 3.208 N/A SER 30.A OG TYR 9.A OH no hydrogen 2.445 N/A SER 30.A OG PRO 31.A O no hydrogen 3.401 N/A SER 30.A OG ARG 36.A O no hydrogen 2.971 N/A SER 34.A N PRO 31.A O no hydrogen 3.144 N/A SER 34.A OG TYR 9.A OH no hydrogen 3.387 N/A SER 34.A OG PRO 31.A O no hydrogen 2.723 N/A SER 34.A OG ARG 36.A O no hydrogen 3.472 N/A ASN 35.A N TYR 9.A OH no hydrogen 3.029 N/A ARG 36.A N SER 34.A OG no hydrogen 2.879 N/A ARG 36.A NH1 ASN 35.A O no hydrogen 2.949 N/A LEU 37.A N ILE 3.A O no hydrogen 2.941 N/A MET 38.A N PHE 29.A O no hydrogen 2.828 N/A TYR 40.A N VAL 27.A O no hydrogen 3.180 N/A THR 41.A OG1 TYR 313.A OH no hydrogen 2.555 N/A ILE 42.A N ALA 25.A O no hydrogen 2.977 N/A THR 44.A N THR 23.A O no hydrogen 2.796 N/A THR 44.A OG1 GLY 21.A O no hydrogen 2.859 N/A LYS 46.A N GLU 43.A O no hydrogen 3.271 N/A PHE 50.A N LYS 46.A O no hydrogen 2.905 N/A MET 51.A N ILE 47.A O no hydrogen 3.077 N/A GLU 52.A N ASP 48.A O no hydrogen 2.909 N/A LEU 53.A N LYS 49.A O no hydrogen 2.944 N/A LEU 54.A N PHE 50.A O no hydrogen 3.019 N/A HIS 55.A N MET 51.A O no hydrogen 2.966 N/A SER 56.A N GLU 52.A O no hydrogen 2.777 N/A ILE 57.A N LEU 53.A O no hydrogen 2.861 N/A ILE 58.A N LEU 54.A O no hydrogen 3.135 N/A LYS 59.A N HIS 55.A O no hydrogen 2.850 N/A GLU 60.A N SER 56.A O no hydrogen 2.940 N/A HIS 61.A N ILE 57.A O no hydrogen 2.796 N/A ASN 62.A N ILE 58.A O no hydrogen 2.973 N/A ASN 62.A ND2 THR 69.A OG1 no hydrogen 3.398 N/A GLY 64.A N ILE 58.A O no hydrogen 2.984 N/A CYS 65.A N ASN 62.A O no hydrogen 2.898 N/A THR 69.A N TYR 66.A O no hydrogen 2.780 N/A THR 69.A OG1 CYS 65.A O no hydrogen 3.016 N/A HIS 70.A N PHE 14.A O no hydrogen 2.901 N/A HIS 70.A ND1 GLY 94.A O no hydrogen 3.056 N/A ILE 71.A N GLY 94.A O no hydrogen 2.981 N/A ILE 72.A N LEU 16.A O no hydrogen 2.876 N/A ALA 73.A N SER 96.A O no hydrogen 2.872 N/A THR 74.A N ILE 18.A O no hydrogen 2.807 N/A THR 74.A OG1 PHE 98.A O no hydrogen 2.672 N/A GLY 77.A N ILE 20.A O no hydrogen 2.883 N/A ALA 78.A N GLY 75.A O no hydrogen 3.071 N/A PHE 79.A N GLY 76.A O no hydrogen 3.056 N/A LYS 80.A N GLY 76.A O no hydrogen 3.081 N/A PHE 81.A N GLY 77.A O no hydrogen 2.628 N/A TYR 82.A N PHE 79.A O no hydrogen 3.239 N/A TYR 82.A OH ILE 95.A O no hydrogen 2.634 N/A LEU 85.A N PHE 81.A O no hydrogen 2.911 N/A TYR 86.A N TYR 82.A O no hydrogen 2.810 N/A GLU 87.A N ASP 83.A O no hydrogen 2.905 N/A ASN 88.A N LEU 84.A O no hydrogen 2.910 N/A ASN 88.A N LEU 85.A O no hydrogen 2.984 N/A ASN 88.A ND2 LEU 84.A O no hydrogen 2.825 N/A ILE 92.A N PHE 89.A O no hydrogen 3.523 N/A LYS 93.A N THR 69.A O no hydrogen 2.892 N/A LYS 93.A NZ THR 13.A OG1 no hydrogen 3.343 N/A SER 96.A N ILE 71.A O no hydrogen 2.918 N/A ARG 97.A NE ALA 78.A O no hydrogen 2.883 N/A PHE 98.A N ALA 73.A O no hydrogen 2.735 N/A MET 101.A N GLU 99.A OE1 no hydrogen 3.237 N/A GLU 102.A N GLU 99.A OE2 no hydrogen 2.891 N/A GLY 103.A N GLU 99.A O no hydrogen 2.817 N/A LEU 104.A N GLU 100.A O no hydrogen 3.012 N/A ILE 105.A N MET 101.A O no hydrogen 3.174 N/A HIS 106.A N GLU 102.A O no hydrogen 2.774 N/A GLY 107.A N GLY 103.A O no hydrogen 2.784 N/A LEU 108.A N LEU 104.A O no hydrogen 2.871 N/A ASP 109.A N ILE 105.A O no hydrogen 2.814 N/A PHE 110.A N HIS 106.A O no hydrogen 3.240 N/A PHE 111.A N GLY 107.A O no hydrogen 3.026 N/A ILE 112.A N LEU 108.A O no hydrogen 2.865 N/A HIS 113.A N ASP 109.A O no hydrogen 3.031 N/A HIS 113.A N PHE 110.A O no hydrogen 3.089 N/A HIS 113.A NE2 TYR 137.A OH no hydrogen 3.229 N/A GLU 114.A N PHE 110.A O no hydrogen 2.854 N/A ILE 115.A N PHE 111.A O no hydrogen 3.397 N/A PHE 120.A N PHE 307.A O no hydrogen 2.899 N/A THR 121.A N ARG 129.A O no hydrogen 2.895 N/A THR 121.A OG1 ARG 129.A O no hydrogen 3.546 N/A TYR 122.A OH ASP 124.A OD1 no hydrogen 2.615 N/A ASN 123.A ND2 ASP 126.A OD2 no hydrogen 3.397 N/A ASP 124.A N ASN 289.A OD1 no hydrogen 2.860 N/A ASP 126.A N ASN 123.A OD1 no hydrogen 2.634 N/A GLY 127.A N ASN 123.A O no hydrogen 2.864 N/A ARG 129.A N THR 121.A O no hydrogen 2.948 N/A ILE 131.A N VAL 119.A O no hydrogen 2.903 N/A THR 133.A OG1 ILE 112.A O no hydrogen 2.862 N/A TYR 137.A OH ASP 109.A OD1 no hydrogen 2.728 N/A TYR 137.A OH HIS 113.A NE2 no hydrogen 3.229 N/A TYR 139.A N VAL 153.A O no hydrogen 3.090 N/A TYR 139.A OH ASP 109.A OD1 no hydrogen 2.661 N/A LEU 140.A N ASN 273.A O no hydrogen 2.882 N/A LEU 141.A N LEU 151.A O no hydrogen 2.747 N/A VAL 142.A N TYR 275.A O no hydrogen 2.716 N/A ASN 143.A N SER 149.A O no hydrogen 2.750 N/A ILE 144.A N GLY 277.A O no hydrogen 2.821 N/A GLY 145.A N GLY 147.A O no hydrogen 2.671 N/A VAL 148.A N SER 165.A O no hydrogen 2.939 N/A SER 149.A N ASN 143.A O no hydrogen 3.013 N/A ILE 150.A N GLY 163.A O no hydrogen 2.836 N/A LEU 151.A N LEU 141.A O no hydrogen 2.896 N/A LYS 152.A N SER 160.A O no hydrogen 2.967 N/A LYS 152.A NZ ASN 269.A OD1 no hydrogen 3.256 N/A VAL 153.A N TYR 139.A O no hydrogen 3.010 N/A THR 154.A N ASN 158.A O no hydrogen 2.915 N/A THR 154.A OG1 ASN 158.A O no hydrogen 3.537 N/A ASN 158.A N GLU 155.A O no hydrogen 3.050 N/A ASN 158.A ND2 PRO 156.A O no hydrogen 3.468 N/A SER 160.A N LYS 152.A O no hydrogen 3.096 N/A ARG 161.A NE SER 149.A OG no hydrogen 2.875 N/A ARG 161.A NH2 SER 149.A OG no hydrogen 2.945 N/A VAL 162.A N ILE 150.A O no hydrogen 2.751 N/A SER 165.A N VAL 148.A O no hydrogen 2.854 N/A LEU 167.A N SER 165.A OG no hydrogen 2.997 N/A GLY 168.A N THR 171.A OG1 no hydrogen 3.279 N/A GLY 170.A N SER 146.A O no hydrogen 2.786 N/A THR 171.A N GLY 168.A O no hydrogen 2.940 N/A LEU 172.A N GLY 168.A O no hydrogen 3.245 N/A TRP 173.A N GLY 169.A O no hydrogen 2.891 N/A GLY 174.A N GLY 170.A O no hydrogen 3.140 N/A LEU 175.A N THR 171.A O no hydrogen 2.902 N/A LEU 176.A N LEU 172.A O no hydrogen 3.107 N/A SER 177.A N TRP 173.A O no hydrogen 2.856 N/A LEU 178.A N GLY 174.A O no hydrogen 3.056 N/A ILE 179.A N LEU 175.A O no hydrogen 2.843 N/A THR 180.A N LEU 176.A O no hydrogen 2.839 N/A THR 180.A OG1 LEU 176.A O no hydrogen 2.882 N/A GLY 181.A N SER 177.A O no hydrogen 2.887 N/A ALA 182.A N THR 180.A OG1 no hydrogen 3.068 N/A GLN 183.A N GLN 187.A OE1 no hydrogen 3.480 N/A TYR 185.A OH TYR 280.A O no hydrogen 2.699 N/A GLN 187.A N THR 184.A O no hydrogen 3.246 N/A MET 188.A N THR 184.A O no hydrogen 3.168 N/A LEU 189.A N TYR 185.A O no hydrogen 3.070 N/A ASP 190.A N ASP 186.A O no hydrogen 2.998 N/A TRP 191.A N GLN 187.A O no hydrogen 2.907 N/A ALA 192.A N MET 188.A O no hydrogen 2.758 N/A GLN 193.A N LEU 189.A O no hydrogen 3.011 N/A GLU 194.A N ASP 190.A O no hydrogen 3.283 N/A GLU 194.A N TRP 191.A O no hydrogen 3.333 N/A GLY 195.A N ALA 192.A O no hydrogen 2.837 N/A ASP 196.A N ASP 245.A OD1 no hydrogen 2.670 N/A ASN 197.A ND2 ASP 201.A OD2 no hydrogen 2.945 N/A SER 198.A N ASP 196.A OD1 no hydrogen 3.337 N/A SER 198.A OG ASP 196.A OD1 no hydrogen 3.306 N/A SER 198.A OG ASP 196.A OD2 no hydrogen 3.083 N/A SER 199.A N ASP 196.A O no hydrogen 3.372 N/A SER 199.A OG ASP 245.A OD2 no hydrogen 3.004 N/A VAL 200.A N ASN 197.A O no hydrogen 2.881 N/A ASP 201.A N ASN 197.A O no hydrogen 2.809 N/A MET 202.A N SER 224.A O no hydrogen 2.958 N/A LEU 203.A N ASP 206.A OD2 no hydrogen 2.717 N/A VAL 204.A N ALA 221.A O no hydrogen 2.943 N/A GLY 205.A N SER 219.A O no hydrogen 3.000 N/A ASP 206.A N LEU 203.A O no hydrogen 2.959 N/A ILE 207.A N VAL 204.A O no hydrogen 2.742 N/A TYR 208.A N VAL 204.A O no hydrogen 2.781 N/A GLY 209.A N GLY 205.A O no hydrogen 2.936 N/A ASP 211.A N THR 210.A OG1 no hydrogen 2.637 N/A TYR 212.A N LEU 217.A O no hydrogen 2.881 N/A ILE 215.A N TYR 212.A O no hydrogen 3.160 N/A GLY 216.A N ASN 213.A O no hydrogen 2.991 N/A LEU 217.A N TYR 212.A O no hydrogen 3.217 N/A SER 219.A N ASP 211.A OD1 no hydrogen 2.769 N/A SER 219.A OG.B ASP 211.A OD1 no hydrogen 2.805 N/A ALA 221.A N LYS 218.A O no hydrogen 3.037 N/A ALA 223.A N MET 202.A O no hydrogen 2.822 N/A SER 224.A N MET 202.A O no hydrogen 3.046 N/A PHE 226.A N ASP 201.A OD1 no hydrogen 2.616 N/A GLY 227.A N SER 224.A O no hydrogen 2.913 N/A LYS 228.A N VAL 200.A O no hydrogen 2.851 N/A LYS 228.A NZ SER 198.A O no hydrogen 2.867 N/A LYS 228.A NZ ASP 201.A O no hydrogen 3.147 N/A LYS 228.A NZ ASP 206.A OD1 no hydrogen 3.384 N/A LYS 228.A NZ ASP 206.A OD2 no hydrogen 2.827 N/A VAL 229.A N PHE 226.A O no hydrogen 3.262 N/A ASN 232.A N VAL 229.A O no hydrogen 3.216 N/A ASN 237.A N GLU 234.A O no hydrogen 3.195 N/A GLN 239.A N LYS 235.A O no hydrogen 2.566 N/A GLN 239.A NE2 ILE 179.A O no hydrogen 2.835 N/A GLN 239.A NE2 ASN 243.A OD1 no hydrogen 2.873 N/A ILE 246.A N LYS 242.A O no hydrogen 2.928 N/A CYS 247.A N ASN 243.A O no hydrogen 2.876 N/A CYS 247.A SG ASN 243.A O no hydrogen 3.267 N/A LYS 248.A N PRO 244.A O no hydrogen 2.951 N/A LYS 248.A NZ GLN 193.A O no hydrogen 3.547 N/A LYS 248.A NZ GLY 195.A O no hydrogen 3.184 N/A SER 249.A N ASP 245.A O no hydrogen 2.945 N/A SER 249.A OG ASP 201.A OD1 no hydrogen 2.783 N/A LEU 250.A N ILE 246.A O no hydrogen 3.012 N/A LEU 251.A N CYS 247.A O no hydrogen 3.046 N/A PHE 252.A N LYS 248.A O no hydrogen 2.894 N/A ALA 253.A N SER 249.A O no hydrogen 2.713 N/A ILE 254.A N LEU 250.A O no hydrogen 2.970 N/A SER 255.A N LEU 251.A O no hydrogen 3.051 N/A SER 255.A OG LEU 251.A O no hydrogen 2.684 N/A SER 255.A OG TYR 280.A OH no hydrogen 2.826 N/A ASN 256.A N PHE 252.A O no hydrogen 2.734 N/A ASN 257.A N ALA 253.A O no hydrogen 3.112 N/A ILE 258.A N ILE 254.A O no hydrogen 2.930 N/A GLY 259.A N SER 255.A O no hydrogen 2.755 N/A GLN 260.A N ASN 256.A O no hydrogen 2.846 N/A ILE 261.A N ASN 257.A O no hydrogen 2.941 N/A ALA 262.A N ILE 258.A O no hydrogen 2.824 N/A TYR 263.A N GLY 259.A O no hydrogen 2.880 N/A LEU 264.A N GLN 260.A O no hydrogen 2.889 N/A GLN 265.A N ILE 261.A O no hydrogen 2.844 N/A GLN 265.A NE2 VAL 162.A O no hydrogen 3.207 N/A ALA 266.A N ALA 262.A O no hydrogen 2.835 N/A LYS 267.A N TYR 263.A O no hydrogen 2.781 N/A LYS 267.A NZ TYR 263.A OH no hydrogen 3.552 N/A ILE 268.A N LEU 264.A O no hydrogen 3.054 N/A ASN 269.A N GLN 265.A O no hydrogen 3.306 N/A ASN 269.A N ALA 266.A O no hydrogen 3.234 N/A ASN 269.A ND2 GLN 265.A O no hydrogen 2.919 N/A ASN 270.A N LYS 267.A O no hydrogen 3.167 N/A ILE 271.A N ALA 266.A O no hydrogen 2.924 N/A GLN 272.A NE2 ASN 273.A OD1 no hydrogen 3.356 N/A ASN 273.A ND2 ILE 136.A O no hydrogen 3.690 N/A ILE 274.A N GLN 304.A O no hydrogen 2.996 N/A TYR 275.A N LEU 140.A O no hydrogen 2.769 N/A PHE 276.A N PHE 306.A O no hydrogen 2.774 N/A GLY 277.A N VAL 142.A O no hydrogen 2.809 N/A GLY 278.A N GLU 311.A O no hydrogen 2.974 N/A SER 279.A N ILE 144.A O no hydrogen 2.893 N/A TYR 280.A OH SER 255.A OG no hydrogen 2.826 N/A THR 281.A OG1 GLU 311.A OE1 no hydrogen 2.946 N/A THR 281.A OG1 GLU 311.A OE2 no hydrogen 3.309 N/A ARG 282.A N GLU 311.A OE2 no hydrogen 2.804 N/A ARG 282.A NH2 ASP 186.A OD1 no hydrogen 3.041 N/A HIS 284.A N THR 281.A O no hydrogen 2.990 N/A THR 286.A OG1 GLN 193.A OE1 no hydrogen 3.545 N/A MET 288.A N HIS 284.A O no hydrogen 2.929 N/A ASN 289.A N LEU 285.A O no hydrogen 2.910 N/A THR 290.A N THR 286.A O no hydrogen 2.887 N/A THR 290.A OG1 THR 286.A O no hydrogen 2.972 N/A LEU 291.A N THR 287.A O no hydrogen 3.102 N/A SER 292.A N MET 288.A O no hydrogen 2.808 N/A SER 292.A OG TYR 122.A O no hydrogen 2.719 N/A SER 292.A OG MET 288.A O no hydrogen 2.980 N/A TYR 293.A N ASN 289.A O no hydrogen 2.781 N/A ALA 294.A N THR 290.A O no hydrogen 2.895 N/A ILE 295.A N LEU 291.A O no hydrogen 3.079 N/A ASN 296.A N SER 292.A O no hydrogen 2.913 N/A PHE 297.A N TYR 293.A O no hydrogen 2.577 N/A TRP 298.A N ALA 294.A O no hydrogen 3.005 N/A SER 299.A N ILE 295.A O no hydrogen 2.931 N/A SER 299.A OG ILE 295.A O no hydrogen 2.561 N/A SER 299.A OG LYS 303.A O no hydrogen 3.288 N/A GLN 300.A N PHE 297.A O no hydrogen 3.323 N/A GLY 301.A N ASN 296.A O no hydrogen 3.053 N/A SER 302.A N SER 299.A O no hydrogen 3.080 N/A SER 302.A OG SER 299.A O no hydrogen 2.775 N/A LYS 303.A N SER 299.A OG no hydrogen 2.978 N/A LYS 303.A NZ ILE 271.A O no hydrogen 2.739 N/A GLN 304.A N GLN 272.A O no hydrogen 3.088 N/A GLN 304.A NE2 ALA 305.A O no hydrogen 2.962 N/A PHE 306.A N ILE 274.A O no hydrogen 2.786 N/A PHE 307.A N PHE 120.A O no hydrogen 2.732 N/A LYS 309.A N GLU 118.A O no hydrogen 2.891 N/A LYS 309.A NZ GLU 128.A OE1 no hydrogen 3.307 N/A HIS 310.A N GLU 118.A OE1 no hydrogen 2.501 N/A HIS 310.A ND1 GLU 118.A OE2 no hydrogen 2.422 N/A HIS 310.A NE2 GLN 1.A O no hydrogen 2.721 N/A TYR 313.A N HIS 310.A O no hydrogen 3.104 N/A TYR 313.A OH THR 41.A OG1 no hydrogen 2.555 N/A MET 317.A N TYR 313.A O no hydrogen 2.945 N/A GLY 318.A N LEU 314.A O no hydrogen 2.910 N/A ALA 319.A N GLY 315.A O no hydrogen 2.916 N/A PHE 320.A N ALA 316.A O no hydrogen 2.846 N/A LEU 321.A N MET 317.A O no hydrogen 2.992 N/A SER 322.A N GLY 318.A O no hydrogen 3.042 N/A SER 322.A N ALA 319.A O no hydrogen 3.012 N/A SER 322.A OG ALA 319.A O no hydrogen 2.477 N/A ALA 323.A N PHE 320.A O no hydrogen 3.129 N/A SER 324.A N LEU 321.A O no hydrogen 3.353 N/A SER 324.A OG LEU 321.A O no hydrogen 3.480 N/A