Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n1w_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH THR 56.A OG1 no hydrogen 2.620 N/A GLN 5.A N ASP 1.A O no hydrogen 3.404 N/A GLU 6.A N TYR 3.A O no hydrogen 2.571 N/A LYS 7.A N TYR 3.A O no hydrogen 2.943 N/A PHE 10.A N GLU 6.A O no hydrogen 3.217 N/A VAL 11.A N LYS 7.A O no hydrogen 2.981 N/A GLN 12.A N GLN 8.A O no hydrogen 3.083 N/A HIS 13.A N PHE 10.A O no hydrogen 2.827 N/A HIS 13.A NE2 THR 80.A OG1 no hydrogen 3.333 N/A GLN 16.A N HIS 13.A O no hydrogen 2.997 N/A ILE 17.A N HIS 13.A O no hydrogen 3.121 N/A VAL 18.A N PHE 14.A O no hydrogen 3.132 N/A ARG 19.A N SER 15.A O no hydrogen 3.279 N/A VAL 20.A N GLN 16.A O no hydrogen 2.837 N/A LEU 21.A N ILE 17.A O no hydrogen 2.984 N/A THR 22.A N VAL 18.A O no hydrogen 2.798 N/A THR 22.A OG1 VAL 18.A O no hydrogen 2.742 N/A ILE 31.A N HIS 28.A O no hydrogen 3.203 N/A GLY 32.A N PRO 29.A O no hydrogen 3.069 N/A ILE 35.A N ILE 31.A O no hydrogen 3.093 N/A ALA 36.A N GLY 32.A O no hydrogen 2.969 N/A ARG 37.A N ASP 33.A O no hydrogen 3.260 N/A ARG 37.A NE ASP 124.A OD1 no hydrogen 2.978 N/A ARG 37.A NH2 ASP 124.A OD1 no hydrogen 3.235 N/A ARG 37.A NH2 ASP 124.A OD2 no hydrogen 2.662 N/A LEU 38.A N ALA 34.A O no hydrogen 2.865 N/A LYS 39.A N ILE 35.A O no hydrogen 3.057 N/A GLU 40.A N ALA 36.A O no hydrogen 3.211 N/A VAL 41.A N ARG 37.A O no hydrogen 2.951 N/A LEU 42.A N LEU 38.A O no hydrogen 2.951 N/A GLU 43.A N LYS 39.A O no hydrogen 2.893 N/A TYR 44.A N GLU 40.A O no hydrogen 3.201 N/A TYR 44.A OH ILE 109.A O no hydrogen 2.497 N/A ASN 45.A N VAL 41.A O no hydrogen 3.039 N/A ASN 45.A ND2 VAL 41.A O no hydrogen 2.889 N/A ALA 46.A N LEU 42.A O no hydrogen 3.196 N/A GLY 48.A N TYR 51.A OH no hydrogen 2.959 N/A ARG 53.A NE SER 198.A OG no hydrogen 2.823 N/A ARG 53.A NH2 SER 198.A OG no hydrogen 3.007 N/A GLY 54.A N GLU 86.A OE1 no hydrogen 2.787 N/A LEU 55.A N TYR 51.A O no hydrogen 2.709 N/A THR 56.A N ASN 52.A O no hydrogen 2.834 N/A THR 56.A OG1 TYR 3.A OH no hydrogen 2.620 N/A THR 56.A OG1 ASN 52.A O no hydrogen 2.825 N/A VAL 57.A N GLY 54.A O no hydrogen 2.977 N/A VAL 59.A N LEU 55.A O no hydrogen 2.826 N/A ALA 60.A N THR 56.A O no hydrogen 3.006 N/A PHE 61.A N VAL 57.A O no hydrogen 3.020 N/A ARG 62.A N VAL 58.A O no hydrogen 3.143 N/A ARG 62.A NE GLU 6.A OE2 no hydrogen 2.751 N/A GLU 63.A N VAL 59.A O no hydrogen 3.354 N/A LEU 64.A N ALA 60.A O no hydrogen 2.966 N/A LEU 64.A N PHE 61.A O no hydrogen 3.070 N/A VAL 65.A N PHE 61.A O no hydrogen 2.901 N/A LYS 69.A N GLU 66.A O no hydrogen 2.695 N/A GLN 70.A NE2 ARG 62.A O no hydrogen 3.205 N/A GLN 70.A NE2 VAL 65.A O no hydrogen 3.044 N/A ASP 73.A N ASP 71.A OD2 no hydrogen 2.833 N/A SER 74.A N ASP 71.A OD1 no hydrogen 3.187 N/A SER 74.A OG LYS 69.A O no hydrogen 3.131 N/A SER 74.A OG ASP 71.A OD1 no hydrogen 2.999 N/A LEU 75.A N ASP 71.A O no hydrogen 3.178 N/A GLN 76.A N ALA 72.A O no hydrogen 3.191 N/A ARG 77.A N ASP 73.A O no hydrogen 2.988 N/A ALA 78.A N SER 74.A O no hydrogen 3.178 N/A TRP 79.A N LEU 75.A O no hydrogen 3.125 N/A THR 80.A N GLN 76.A O no hydrogen 3.161 N/A THR 80.A OG1 HIS 13.A NE2 no hydrogen 3.333 N/A THR 80.A OG1 GLN 76.A O no hydrogen 3.299 N/A VAL 81.A N ARG 77.A O no hydrogen 2.787 N/A GLY 82.A N ALA 78.A O no hydrogen 2.861 N/A TRP 83.A N TRP 79.A O no hydrogen 2.860 N/A TRP 83.A NE1 PHE 10.A O no hydrogen 3.085 N/A CYS 84.A N THR 80.A O no hydrogen 2.906 N/A CYS 84.A SG THR 80.A O no hydrogen 3.263 N/A CYS 84.A SG ILE 132.A O no hydrogen 3.793 N/A VAL 85.A N VAL 81.A O no hydrogen 3.233 N/A GLU 86.A N GLY 82.A O no hydrogen 3.286 N/A LEU 87.A N TRP 83.A O no hydrogen 2.790 N/A LEU 88.A N CYS 84.A O no hydrogen 2.845 N/A GLN 89.A N VAL 85.A O no hydrogen 2.976 N/A ALA 90.A N GLU 86.A O no hydrogen 2.791 N/A PHE 91.A N LEU 87.A O no hydrogen 2.847 N/A PHE 92.A N LEU 88.A O no hydrogen 3.075 N/A LEU 93.A N GLN 89.A O no hydrogen 2.912 N/A VAL 94.A N ALA 90.A O no hydrogen 2.958 N/A ALA 95.A N PHE 91.A O no hydrogen 3.268 N/A ASP 96.A N PHE 92.A O no hydrogen 2.786 N/A ASP 97.A N LEU 93.A O no hydrogen 2.901 N/A ILE 98.A N ALA 95.A O no hydrogen 3.186 N/A MET 99.A N ALA 95.A O no hydrogen 3.116 N/A ASP 100.A N ASP 96.A O no hydrogen 3.069 N/A SER 101.A N ILE 98.A O no hydrogen 3.161 N/A SER 102.A N ASP 97.A O no hydrogen 2.917 N/A SER 102.A OG ASP 97.A OD1 no hydrogen 3.501 N/A SER 102.A OG ASP 100.A OD1 no hydrogen 2.607 N/A ARG 105.A N GLN 108.A O no hydrogen 2.896 N/A ARG 105.A NE ASP 97.A OD2 no hydrogen 3.017 N/A ARG 105.A NH2 ASP 97.A OD1 no hydrogen 2.963 N/A GLN 108.A NE2 TYR 44.A O no hydrogen 3.467 N/A CYS 110.A N LEU 103.A O no hydrogen 3.299 N/A TRP 111.A NE1 ASP 124.A OD2 no hydrogen 2.687 N/A TYR 112.A OH SER 102.A O no hydrogen 2.387 N/A GLN 113.A N CYS 110.A O no hydrogen 2.671 N/A GLN 113.A NE2 SER 102.A O no hydrogen 3.444 N/A LYS 114.A N TRP 111.A O no hydrogen 2.848 N/A VAL 117.A N LYS 114.A O no hydrogen 2.962 N/A ASP 120.A N VAL 117.A O no hydrogen 3.045 N/A ALA 121.A N GLY 118.A O no hydrogen 2.837 N/A ILE 122.A N LEU 119.A O no hydrogen 2.914 N/A ASN 123.A N ASP 120.A O no hydrogen 2.950 N/A ASP 124.A N ASP 120.A O no hydrogen 3.236 N/A ALA 125.A N ALA 121.A O no hydrogen 2.833 N/A ASN 126.A N ILE 122.A O no hydrogen 3.211 N/A LEU 127.A N ASN 123.A O no hydrogen 2.882 N/A LEU 128.A N ASP 124.A O no hydrogen 2.993 N/A GLU 129.A N ALA 125.A O no hydrogen 3.187 N/A ALA 130.A N ASN 126.A O no hydrogen 3.117 N/A CYS 131.A N LEU 127.A O no hydrogen 2.933 N/A CYS 131.A SG LEU 127.A O no hydrogen 3.493 N/A ILE 132.A N GLU 129.A O no hydrogen 3.187 N/A ARG 134.A N ALA 130.A O no hydrogen 3.076 N/A ARG 134.A NH1 LEU 21.A O no hydrogen 3.321 N/A LEU 135.A N CYS 131.A O no hydrogen 2.883 N/A LEU 136.A N ILE 132.A O no hydrogen 3.095 N/A LYS 137.A N TYR 133.A O no hydrogen 3.331 N/A LEU 138.A N ARG 134.A O no hydrogen 3.045 N/A TYR 139.A N LEU 135.A O no hydrogen 3.035 N/A CYS 140.A N LEU 136.A O no hydrogen 2.924 N/A GLN 143.A N CYS 140.A O no hydrogen 3.043 N/A TYR 146.A N GLN 143.A O no hydrogen 3.223 N/A LEU 149.A N TYR 145.A O no hydrogen 3.074 N/A ILE 150.A N TYR 146.A O no hydrogen 3.238 N/A GLU 151.A N LEU 147.A O no hydrogen 3.031 N/A LEU 152.A N ASN 148.A O no hydrogen 2.898 N/A PHE 153.A N LEU 149.A O no hydrogen 2.851 N/A LEU 154.A N ILE 150.A O no hydrogen 2.975 N/A GLN 155.A N GLU 151.A O no hydrogen 2.729 N/A SER 156.A N LEU 152.A O no hydrogen 2.805 N/A SER 156.A OG LEU 152.A O no hydrogen 2.717 N/A SER 157.A N PHE 153.A O no hydrogen 2.981 N/A SER 157.A OG PHE 153.A O no hydrogen 3.291 N/A TYR 158.A N LEU 154.A O no hydrogen 3.064 N/A GLN 159.A N GLN 155.A O no hydrogen 2.897 N/A THR 160.A N SER 156.A O no hydrogen 3.052 N/A THR 160.A OG1 SER 156.A O no hydrogen 2.745 N/A GLU 161.A N SER 157.A O no hydrogen 2.723 N/A ILE 162.A N TYR 158.A O no hydrogen 2.795 N/A GLY 163.A N GLN 159.A O no hydrogen 2.835 N/A GLN 164.A N THR 160.A O no hydrogen 2.837 N/A THR 165.A N GLU 161.A O no hydrogen 3.033 N/A THR 165.A OG1 GLU 161.A O no hydrogen 3.029 N/A LEU 166.A N ILE 162.A O no hydrogen 3.066 N/A ASP 167.A N GLY 163.A O no hydrogen 3.025 N/A LEU 168.A N GLN 164.A O no hydrogen 3.027 N/A LEU 169.A N THR 165.A O no hydrogen 2.859 N/A THR 170.A N LEU 166.A O no hydrogen 2.917 N/A THR 170.A OG1 LEU 166.A O no hydrogen 2.955 N/A ALA 171.A N ASP 167.A O no hydrogen 3.140 N/A ASN 175.A N PRO 172.A O no hydrogen 3.237 N/A VAL 179.A N ASP 177.A OD1 no hydrogen 3.236 N/A ARG 180.A N ASP 177.A O no hydrogen 3.191 N/A ARG 185.A N THR 182.A OG1 no hydrogen 3.233 N/A ARG 185.A NH1 THR 170.A OG1 no hydrogen 2.710 N/A TYR 186.A OH ASP 237.A OD2 no hydrogen 2.571 N/A LYS 187.A N GLU 183.A O no hydrogen 3.231 N/A LYS 187.A NZ GLU 230.A OE1 no hydrogen 3.206 N/A SER 188.A N LYS 184.A O no hydrogen 2.938 N/A SER 188.A OG LYS 184.A O no hydrogen 3.356 N/A ILE 189.A N ARG 185.A O no hydrogen 2.973 N/A VAL 190.A N TYR 186.A O no hydrogen 3.115 N/A LYS 191.A N LYS 187.A O no hydrogen 3.001 N/A TYR 192.A N SER 188.A O no hydrogen 3.302 N/A LYS 193.A N ILE 189.A O no hydrogen 2.955 N/A LYS 193.A NZ ASP 167.A OD2 no hydrogen 2.792 N/A THR 194.A N VAL 190.A O no hydrogen 3.014 N/A ALA 195.A N VAL 190.A O no hydrogen 2.907 N/A PHE 196.A N LYS 191.A O no hydrogen 3.143 N/A TYR 197.A OH GLN 89.A OE1 no hydrogen 2.666 N/A SER 198.A N THR 194.A O no hydrogen 2.885 N/A SER 198.A OG THR 194.A O no hydrogen 3.055 N/A PHE 199.A N ALA 195.A O no hydrogen 3.007 N/A TYR 200.A N ALA 195.A O no hydrogen 3.422 N/A TYR 200.A OH HIS 218.A ND1 no hydrogen 3.007 N/A LEU 201.A N PHE 196.A O no hydrogen 2.913 N/A ALA 204.A N TYR 200.A O no hydrogen 2.784 N/A ALA 205.A N LEU 201.A O no hydrogen 2.829 N/A ALA 206.A N PRO 202.A O no hydrogen 3.234 N/A MET 207.A N ILE 203.A O no hydrogen 2.799 N/A TYR 208.A N ALA 204.A O no hydrogen 3.034 N/A MET 209.A N ALA 205.A O no hydrogen 3.246 N/A ALA 210.A N MET 207.A O no hydrogen 2.608 N/A GLY 211.A N TYR 208.A O no hydrogen 3.366 N/A ILE 212.A N MET 207.A O no hydrogen 3.077 N/A HIS 218.A N GLY 214.A O no hydrogen 2.979 N/A HIS 218.A NE2 ILE 212.A O no hydrogen 2.668 N/A ALA 219.A N GLU 215.A O no hydrogen 3.063 N/A ASN 220.A N LYS 216.A O no hydrogen 2.834 N/A ALA 221.A N GLU 217.A O no hydrogen 2.906 N/A LYS 222.A N HIS 218.A O no hydrogen 2.929 N/A LYS 223.A N ALA 219.A O no hydrogen 3.235 N/A ILE 224.A N ASN 220.A O no hydrogen 3.321 N/A LEU 225.A N ALA 221.A O no hydrogen 2.881 N/A LEU 226.A N LYS 222.A O no hydrogen 2.782 N/A MET 228.A N ILE 224.A O no hydrogen 2.989 N/A GLY 229.A N LEU 225.A O no hydrogen 2.755 N/A GLU 230.A N LEU 226.A O no hydrogen 2.996 N/A PHE 231.A N GLU 227.A O no hydrogen 3.112 N/A PHE 232.A N MET 228.A O no hydrogen 2.892 N/A GLN 233.A N GLY 229.A O no hydrogen 3.086 N/A GLN 233.A NE2 ASP 236.A OD2 no hydrogen 3.116 N/A GLN 233.A NE2 ASP 237.A OD1 no hydrogen 3.046 N/A ILE 234.A N GLU 230.A O no hydrogen 3.168 N/A GLN 235.A N PHE 231.A O no hydrogen 2.817 N/A GLN 235.A NE2 ILE 341.A O no hydrogen 2.921 N/A ASP 237.A N GLN 233.A O no hydrogen 2.947 N/A TYR 238.A N ILE 234.A O no hydrogen 3.020 N/A LEU 239.A N GLN 235.A O no hydrogen 3.135 N/A ASP 240.A N ASP 236.A O no hydrogen 2.982 N/A ASP 240.A N ASP 237.A O no hydrogen 3.120 N/A LEU 241.A N TYR 238.A O no hydrogen 3.019 N/A PHE 242.A N TYR 238.A O no hydrogen 3.021 N/A SER 246.A N ASP 244.A OD1 no hydrogen 3.207 N/A SER 246.A OG ASP 244.A OD1 no hydrogen 3.345 N/A VAL 247.A N ASP 244.A O no hydrogen 2.785 N/A THR 248.A N ASP 244.A O no hydrogen 2.838 N/A THR 248.A OG1 ASP 244.A O no hydrogen 3.055 N/A THR 248.A OG1 LYS 250.A O no hydrogen 2.946 N/A GLY 249.A N PRO 245.A O no hydrogen 2.684 N/A LYS 250.A N THR 248.A OG1 no hydrogen 3.315 N/A THR 253.A OG1 ASP 257.A OD2 no hydrogen 2.827 N/A ASP 254.A N ASP 240.A OD1 no hydrogen 3.110 N/A GLN 256.A N GLN 256.A OE1 no hydrogen 2.496 N/A ASP 257.A N THR 253.A O no hydrogen 2.801 N/A ASN 258.A N ILE 255.A O no hydrogen 3.389 N/A ASN 258.A ND2 ASN 175.A O no hydrogen 3.493 N/A LYS 259.A N ASP 254.A O no hydrogen 3.062 N/A TRP 262.A N ASP 237.A OD2 no hydrogen 2.671 N/A VAL 265.A N SER 261.A O no hydrogen 3.349 N/A GLN 266.A N TRP 262.A O no hydrogen 3.122 N/A CYS 267.A N LEU 263.A O no hydrogen 2.787 N/A LEU 268.A N VAL 264.A O no hydrogen 3.028 N/A GLN 269.A N VAL 265.A O no hydrogen 3.344 N/A ARG 270.A N CYS 267.A O no hydrogen 3.351 N/A ARG 270.A NH1 GLN 266.A O no hydrogen 3.166 N/A ARG 270.A NH1 GLN 266.A OE1 no hydrogen 2.614 N/A THR 272.A N GLN 275.A OE1 no hydrogen 2.830 N/A THR 272.A OG1 GLU 274.A OE1 no hydrogen 3.279 N/A GLU 274.A N GLU 274.A OE1 no hydrogen 2.961 N/A GLN 275.A NE2 GLU 300.A OE2 no hydrogen 2.865 N/A TYR 276.A N THR 272.A O no hydrogen 2.888 N/A GLN 277.A N PRO 273.A O no hydrogen 3.277 N/A ILE 278.A N GLU 274.A O no hydrogen 2.986 N/A LEU 279.A N GLN 275.A O no hydrogen 3.105 N/A LYS 280.A N TYR 276.A O no hydrogen 2.735 N/A GLU 281.A N ILE 278.A O no hydrogen 3.177 N/A ASN 282.A N LEU 279.A O no hydrogen 2.894 N/A ASN 282.A ND2 ILE 278.A O no hydrogen 3.044 N/A TYR 283.A N LEU 279.A O no hydrogen 2.943 N/A TYR 283.A OH LYS 259.A O no hydrogen 2.466 N/A LYS 290.A N GLU 287.A O no hydrogen 2.938 N/A VAL 291.A N GLU 287.A O no hydrogen 2.964 N/A ALA 292.A N ALA 288.A O no hydrogen 2.833 N/A ARG 293.A N GLU 289.A O no hydrogen 3.264 N/A ARG 293.A NH1 ARG 293.A O no hydrogen 3.051 N/A VAL 294.A N VAL 291.A O no hydrogen 2.688 N/A LYS 295.A N VAL 291.A O no hydrogen 3.101 N/A ALA 296.A N ALA 292.A O no hydrogen 3.018 N/A LEU 297.A N ARG 293.A O no hydrogen 3.407 N/A TYR 298.A N VAL 294.A O no hydrogen 3.014 N/A GLU 299.A N LYS 295.A O no hydrogen 2.935 N/A GLU 300.A N ALA 296.A O no hydrogen 2.811 N/A LEU 301.A N LEU 297.A O no hydrogen 3.205 N/A LEU 301.A N TYR 298.A O no hydrogen 2.689 N/A ASP 302.A N GLU 299.A O no hydrogen 2.634 N/A LEU 303.A N TYR 298.A O no hydrogen 3.373 N/A ALA 305.A N ASP 302.A O no hydrogen 2.960 N/A VAL 306.A N ASP 302.A O no hydrogen 2.956 N/A PHE 307.A N LEU 303.A O no hydrogen 2.703 N/A LEU 308.A N PRO 304.A O no hydrogen 3.164 N/A GLN 309.A N ALA 305.A O no hydrogen 2.990 N/A GLN 309.A NE2 ASP 313.A OD1 no hydrogen 3.524 N/A TYR 310.A N VAL 306.A O no hydrogen 2.917 N/A GLU 311.A N PHE 307.A O no hydrogen 2.690 N/A GLU 312.A N LEU 308.A O no hydrogen 3.239 N/A ASP 313.A N GLN 309.A O no hydrogen 3.136 N/A SER 314.A N TYR 310.A O no hydrogen 2.741 N/A SER 314.A OG TYR 342.A OH no hydrogen 3.384 N/A TYR 315.A N GLU 311.A O no hydrogen 3.000 N/A SER 316.A N GLU 312.A O no hydrogen 3.317 N/A SER 316.A OG GLU 312.A O no hydrogen 3.377 N/A HIS 317.A N ASP 313.A O no hydrogen 2.989 N/A ILE 318.A N SER 314.A O no hydrogen 2.890 N/A MET 319.A N TYR 315.A O no hydrogen 3.186 N/A ALA 320.A N SER 316.A O no hydrogen 2.806 N/A LEU 321.A N HIS 317.A O no hydrogen 2.697 N/A ILE 322.A N ILE 318.A O no hydrogen 2.714 N/A GLU 323.A N MET 319.A O no hydrogen 3.000 N/A GLN 324.A N LEU 321.A O no hydrogen 2.930 N/A TYR 325.A N LEU 321.A O no hydrogen 2.947 N/A ALA 326.A N ILE 322.A O no hydrogen 3.137 N/A LEU 329.A N ALA 326.A O no hydrogen 2.622 N/A VAL 333.A N PRO 330.A O no hydrogen 2.663 N/A LEU 335.A N PRO 331.A O no hydrogen 2.790 N/A GLY 336.A N ALA 332.A O no hydrogen 2.856 N/A ALA 338.A N PHE 334.A O no hydrogen 2.821 N/A ARG 339.A N LEU 335.A O no hydrogen 2.948 N/A LYS 340.A N GLY 336.A O no hydrogen 3.263 N/A LYS 340.A N LEU 337.A O no hydrogen 3.271 N/A ILE 341.A N ALA 338.A O no hydrogen 2.788 N/A TYR 342.A N ALA 338.A O no hydrogen 2.926 N/A TYR 342.A OH SER 314.A OG no hydrogen 3.384 N/A