Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w6i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ILE 170.A O no hydrogen 3.173 N/A ASN 5.A ND2 GLU 174.A OE2 no hydrogen 3.545 N/A ILE 6.A N LEU 168.A O no hydrogen 2.945 N/A LEU 8.A N GLY 166.A O no hydrogen 2.805 N/A VAL 9.A N TYR 17.A O no hydrogen 2.982 N/A PHE 11.A N MET 15.A O no hydrogen 2.886 N/A ASN 13.A N ASP 10.A OD2 no hydrogen 2.903 N/A ILE 14.A N PHE 11.A O no hydrogen 3.220 N/A MET 15.A N PHE 11.A O no hydrogen 3.315 N/A TYR 17.A N VAL 9.A O no hydrogen 2.779 N/A GLY 18.A N PHE 31.A O no hydrogen 2.997 N/A ALA 20.A N PHE 29.A O no hydrogen 3.225 N/A GLU 21.A N THR 92.A O no hydrogen 3.049 N/A VAL 22.A N GLN 27.A O no hydrogen 3.181 N/A GLY 23.A N LEU 90.A O no hydrogen 2.739 N/A ASP 24.A N SER 63.A OG no hydrogen 3.044 N/A GLN 27.A NE2 ASN 25.A OD1 no hydrogen 3.002 N/A GLN 27.A NE2 ASP 59.A O no hydrogen 3.342 N/A PHE 29.A N ALA 20.A O no hydrogen 3.129 N/A THR 30.A N ASP 121.A OD2 no hydrogen 2.754 N/A THR 30.A OG1 ASP 19.A OD1 no hydrogen 3.274 N/A PHE 31.A N GLY 18.A O no hydrogen 2.725 N/A ILE 32.A N GLY 122.A O no hydrogen 3.116 N/A ASP 34.A N LEU 124.A O no hydrogen 3.087 N/A THR 35.A N SER 215.A OG no hydrogen 3.131 N/A THR 35.A OG1 VAL 213.A O no hydrogen 3.067 N/A THR 35.A OG1 SER 215.A OG no hydrogen 3.418 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.991 N/A SER 37.A N ASP 34.A O no hydrogen 3.180 N/A SER 37.A OG ASP 34.A O no hydrogen 3.540 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.386 N/A ASN 39.A ND2 ILE 133.A O no hydrogen 3.130 N/A TRP 41.A N ILE 123.A O no hydrogen 3.088 N/A VAL 42.A N ILE 103.A O no hydrogen 2.921 N/A SER 44.A N VAL 105.A O no hydrogen 2.819 N/A SER 44.A OG GLU 104.A OE2 no hydrogen 2.828 N/A VAL 45.A N TYR 58.A O no hydrogen 2.954 N/A LYS 46.A N SER 44.A OG no hydrogen 2.797 N/A CYS 47.A N SER 44.A O no hydrogen 2.832 N/A CYS 47.A SG THR 49.A O no hydrogen 3.898 N/A CYS 47.A SG ILE 106.A O no hydrogen 3.355 N/A THR 48.A N ILE 106.A O no hydrogen 3.159 N/A THR 49.A OG1 ASP 107.A OD1 no hydrogen 3.324 N/A CYS 52.A N THR 49.A O no hydrogen 2.966 N/A LEU 53.A N ALA 50.A O no hydrogen 3.033 N/A LYS 55.A N CYS 52.A O no hydrogen 3.246 N/A LYS 55.A NZ TYR 115.A O no hydrogen 2.800 N/A LYS 55.A NZ PHE 120.A O no hydrogen 2.962 N/A HIS 56.A N ASP 121.A OD1 no hydrogen 2.738 N/A TYR 58.A N PRO 43.A O no hydrogen 2.784 N/A TYR 58.A OH ASP 89.A OD2 no hydrogen 2.732 N/A ASP 59.A N GLN 27.A OE1 no hydrogen 2.939 N/A SER 61.A OG ASP 59.A OD1 no hydrogen 2.807 N/A SER 61.A OG ASP 59.A OD2 no hydrogen 3.486 N/A LYS 62.A N ASP 59.A O no hydrogen 3.173 N/A SER 63.A N SER 60.A O no hydrogen 2.712 N/A SER 63.A OG ASP 24.A OD1 no hydrogen 2.812 N/A SER 63.A OG ASP 89.A OD1 no hydrogen 3.261 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 2.698 N/A THR 65.A OG1 ASP 89.A OD1 no hydrogen 2.690 N/A TYR 66.A N SER 63.A O no hydrogen 3.331 N/A GLU 67.A N LYS 88.A O no hydrogen 2.812 N/A GLY 70.A N PHE 86.A O no hydrogen 3.010 N/A THR 71.A N ASP 69.A OD1 no hydrogen 2.894 N/A THR 71.A OG1 ASP 69.A OD1 no hydrogen 2.645 N/A VAL 73.A N GLY 84.A O no hydrogen 2.898 N/A MET 75.A N VAL 82.A O no hydrogen 2.931 N/A TYR 77.A N GLY 80.A O no hydrogen 2.770 N/A GLY 80.A N TYR 77.A O no hydrogen 3.322 N/A THR 81.A N GLY 110.A O no hydrogen 3.051 N/A THR 81.A OG1 ASN 76.A OD1 no hydrogen 3.282 N/A VAL 82.A N MET 75.A O no hydrogen 3.059 N/A SER 83.A N ASP 107.A O no hydrogen 2.958 N/A GLY 84.A N VAL 73.A O no hydrogen 3.119 N/A PHE 85.A N GLU 104.A O no hydrogen 3.010 N/A PHE 86.A N THR 71.A O no hydrogen 3.046 N/A SER 87.A N PHE 102.A O no hydrogen 2.970 N/A SER 87.A OG GLU 104.A OE1 no hydrogen 2.750 N/A LYS 88.A N GLU 67.A O no hydrogen 3.083 N/A ASP 89.A N TYR 100.A O no hydrogen 3.178 N/A LEU 90.A N ASP 89.A OD1 no hydrogen 2.564 N/A VAL 91.A N LEU 98.A O no hydrogen 3.027 N/A THR 92.A N GLU 21.A O no hydrogen 2.924 N/A THR 92.A OG1 SER 97.A OG no hydrogen 2.995 N/A VAL 93.A N LEU 96.A O no hydrogen 2.843 N/A ASN 95.A N ASP 4.A OD1 no hydrogen 3.459 N/A LEU 96.A N VAL 93.A O no hydrogen 3.068 N/A SER 97.A OG THR 92.A OG1 no hydrogen 2.995 N/A LEU 98.A N VAL 91.A O no hydrogen 3.090 N/A TYR 100.A N ASP 89.A O no hydrogen 2.840 N/A TYR 100.A OH ASP 137.A O no hydrogen 2.880 N/A LYS 101.A NZ GLY 134.A O no hydrogen 3.466 N/A PHE 102.A N SER 87.A O no hydrogen 2.945 N/A ILE 103.A N LEU 40.A O no hydrogen 2.766 N/A GLU 104.A N PHE 85.A O no hydrogen 2.786 N/A VAL 105.A N VAL 42.A O no hydrogen 2.861 N/A ILE 106.A N SER 83.A O no hydrogen 2.853 N/A ASP 107.A N SER 83.A O no hydrogen 3.280 N/A THR 108.A N THR 49.A OG1 no hydrogen 3.255 N/A ASN 109.A N ASP 107.A OD1 no hydrogen 3.051 N/A PHE 111.A N THR 108.A O no hydrogen 3.064 N/A TYR 115.A N PHE 111.A O no hydrogen 2.847 N/A TYR 115.A OH ASP 121.A O no hydrogen 2.641 N/A THR 116.A N GLU 112.A OE1 no hydrogen 2.964 N/A THR 116.A OG1 GLU 112.A OE1 no hydrogen 3.062 N/A THR 116.A OG1 GLU 112.A OE2 no hydrogen 2.815 N/A ALA 117.A N PRO 113.A O no hydrogen 2.915 N/A SER 118.A N TYR 115.A O no hydrogen 3.331 N/A SER 118.A OG THR 114.A O no hydrogen 2.670 N/A ASP 121.A N THR 30.A O no hydrogen 2.658 N/A GLY 122.A N THR 30.A O no hydrogen 3.166 N/A LEU 124.A N ILE 32.A O no hydrogen 3.001 N/A GLY 125.A N ASN 39.A O no hydrogen 2.813 N/A LEU 126.A N ASP 34.A O no hydrogen 2.840 N/A GLY 127.A N SER 37.A O no hydrogen 2.864 N/A TRP 128.A N LEU 191.A O no hydrogen 3.198 N/A LYS 129.A NZ ASP 137.A OD1 no hydrogen 3.240 N/A LEU 131.A N TRP 128.A O no hydrogen 2.744 N/A SER 132.A N LYS 129.A O no hydrogen 3.081 N/A SER 132.A OG LYS 129.A O no hydrogen 2.780 N/A ILE 133.A N ASN 39.A OD1 no hydrogen 2.835 N/A VAL 136.A N SER 132.A OG no hydrogen 2.997 N/A GLU 142.A N PRO 138.A O no hydrogen 3.064 N/A LEU 143.A N ILE 139.A O no hydrogen 2.899 N/A LYS 144.A N VAL 140.A O no hydrogen 3.048 N/A LYS 144.A NZ GLU 150.A O no hydrogen 2.620 N/A ASN 145.A N VAL 141.A O no hydrogen 2.844 N/A GLN 146.A N LEU 143.A O no hydrogen 3.210 N/A ASN 147.A N LYS 144.A O no hydrogen 2.916 N/A LYS 148.A N LEU 143.A O no hydrogen 2.908 N/A LYS 148.A NZ GLN 146.A OE1 no hydrogen 2.581 N/A ASN 151.A N GLY 171.A O no hydrogen 3.329 N/A ASN 151.A ND2 GLY 171.A O no hydrogen 2.889 N/A ALA 152.A N ASP 316.A OD2 no hydrogen 2.974 N/A PHE 154.A N PHE 313.A O no hydrogen 3.085 N/A THR 155.A N THR 169.A O no hydrogen 2.583 N/A PHE 156.A N THR 311.A O no hydrogen 3.052 N/A TYR 157.A N PHE 167.A O no hydrogen 3.022 N/A TYR 157.A OH LYS 326.A O no hydrogen 3.074 N/A VAL 160.A N HIS 164.A O no hydrogen 2.981 N/A HIS 161.A N ASN 13.A OD1 no hydrogen 3.400 N/A LYS 163.A N VAL 160.A O no hydrogen 2.775 N/A HIS 164.A N VAL 160.A O no hydrogen 3.006 N/A HIS 164.A ND1 THR 165.A O no hydrogen 2.907 N/A THR 165.A OG1 GLU 7.A OE2 no hydrogen 3.234 N/A GLY 166.A N LEU 8.A O no hydrogen 3.072 N/A PHE 167.A N TYR 157.A O no hydrogen 2.901 N/A LEU 168.A N ILE 6.A O no hydrogen 2.979 N/A THR 169.A N THR 155.A O no hydrogen 2.894 N/A ILE 170.A N ASP 4.A O no hydrogen 2.701 N/A GLY 171.A N LEU 153.A O no hydrogen 2.883 N/A ARG 176.A NH1 GLU 174.A OE1 no hydrogen 2.815 N/A PHE 177.A N GLU 174.A O no hydrogen 3.283 N/A GLU 179.A N LEU 324.A O no hydrogen 2.714 N/A THR 183.A N ILE 322.A O no hydrogen 3.023 N/A GLU 185.A N VAL 320.A O no hydrogen 2.901 N/A LEU 187.A N HIS 318.A O no hydrogen 3.096 N/A ASN 188.A N GLN 194.A O no hydrogen 2.978 N/A TYR 192.A N GLN 194.A OE1 no hydrogen 3.240 N/A TRP 193.A NE1 LEU 126.A O no hydrogen 2.996 N/A GLN 194.A NE2 ASN 210.A OD1 no hydrogen 3.420 N/A ILE 195.A N CYS 211.A O no hydrogen 2.772 N/A THR 196.A OG1 ASN 188.A OD1 no hydrogen 3.240 N/A LEU 197.A N ALA 209.A O no hydrogen 3.130 N/A ASP 198.A N THR 260.A O no hydrogen 2.860 N/A ALA 199.A N LEU 206.A O no hydrogen 2.685 N/A HIS 200.A N GLU 258.A O no hydrogen 2.841 N/A VAL 201.A N ILE 204.A O no hydrogen 2.920 N/A LEU 206.A N ALA 199.A O no hydrogen 2.667 N/A LYS 208.A N ASP 198.A OD1 no hydrogen 2.826 N/A ALA 209.A N LEU 197.A O no hydrogen 2.868 N/A ASN 210.A N PRO 297.A O no hydrogen 3.311 N/A ASN 210.A ND2 THR 298.A OG1 no hydrogen 3.031 N/A CYS 211.A N ILE 195.A O no hydrogen 2.833 N/A CYS 211.A SG ALA 209.A O no hydrogen 3.786 N/A ILE 212.A N PHE 299.A O no hydrogen 2.955 N/A VAL 213.A N TRP 193.A O no hydrogen 3.035 N/A ASP 214.A N LEU 301.A O no hydrogen 3.003 N/A SER 215.A N THR 35.A OG1 no hydrogen 2.984 N/A SER 215.A OG LEU 33.A O no hydrogen 2.592 N/A SER 215.A OG THR 35.A OG1 no hydrogen 3.418 N/A GLY 216.A N ASP 214.A OD1 no hydrogen 2.671 N/A THR 217.A N ASP 214.A O no hydrogen 3.058 N/A THR 217.A OG1 ASP 214.A OD2 no hydrogen 2.525 N/A ILE 220.A N ASN 288.A O no hydrogen 3.394 N/A THR 221.A N ILE 300.A O no hydrogen 2.919 N/A VAL 222.A N ILE 290.A O no hydrogen 2.840 N/A THR 224.A N ASP 293.A OD1 no hydrogen 2.915 N/A THR 224.A OG1 ASP 293.A OD2 no hydrogen 2.464 N/A LEU 227.A N PRO 223.A O no hydrogen 3.031 N/A ASN 228.A N THR 224.A O no hydrogen 3.021 N/A LYS 229.A N ASP 225.A O no hydrogen 3.043 N/A LYS 229.A NZ ASP 225.A OD2 no hydrogen 3.072 N/A MET 230.A N PHE 226.A O no hydrogen 3.023 N/A LEU 231.A N LEU 227.A O no hydrogen 2.951 N/A LEU 231.A N ASN 228.A O no hydrogen 3.280 N/A GLN 232.A N LYS 229.A O no hydrogen 3.414 N/A GLN 232.A NE2 ASN 228.A O no hydrogen 2.668 N/A ILE 237.A N VAL 246.A O no hydrogen 2.967 N/A VAL 239.A N PHE 244.A O no hydrogen 3.026 N/A LEU 242.A N VAL 239.A O no hydrogen 2.938 N/A VAL 246.A N ILE 237.A O no hydrogen 2.975 N/A THR 247.A N CYS 285.A O no hydrogen 2.916 N/A CYS 249.A N GLY 283.A O no hydrogen 3.003 N/A CYS 249.A SG HIS 276.A ND1 no hydrogen 3.294 N/A CYS 249.A SG GLY 283.A O no hydrogen 3.505 N/A ASN 251.A N LEU 248.A O no hydrogen 2.779 N/A LYS 253.A NZ ASN 233.A O no hydrogen 3.200 N/A LYS 253.A NZ ASP 235.A OD2 no hydrogen 3.154 N/A LEU 254.A N ASN 251.A O no hydrogen 3.382 N/A PHE 257.A N LEU 268.A O no hydrogen 2.997 N/A GLU 258.A N HIS 200.A O no hydrogen 2.812 N/A PHE 259.A N TYR 266.A O no hydrogen 2.776 N/A THR 260.A N ASP 198.A O no hydrogen 3.002 N/A SER 261.A N GLY 264.A O no hydrogen 2.918 N/A SER 261.A OG GLU 185.A OE1 no hydrogen 3.291 N/A SER 261.A OG GLU 185.A OE2 no hydrogen 2.563 N/A SER 261.A OG GLY 264.A O no hydrogen 3.452 N/A ASN 263.A N SER 261.A OG no hydrogen 2.989 N/A GLY 264.A N SER 261.A OG no hydrogen 2.987 N/A TYR 266.A N PHE 259.A O no hydrogen 2.718 N/A TYR 266.A OH GLU 185.A OE2 no hydrogen 2.625 N/A THR 267.A N TYR 309.A OH no hydrogen 2.880 N/A THR 267.A OG1 GLU 269.A OE1 no hydrogen 3.209 N/A LEU 268.A N PHE 257.A O no hydrogen 2.832 N/A TYR 272.A N GLU 269.A O no hydrogen 2.805 N/A TYR 273.A N PRO 270.A O no hydrogen 2.885 N/A TYR 273.A OH PRO 255.A O no hydrogen 2.741 N/A GLN 275.A N MET 286.A O no hydrogen 2.908 N/A ILE 277.A N LEU 284.A O no hydrogen 2.792 N/A VAL 280.A N ILE 277.A O no hydrogen 2.779 N/A GLY 281.A N ILE 277.A O no hydrogen 3.336 N/A GLY 283.A N GLU 278.A OE1 no hydrogen 2.901 N/A LEU 284.A N GLY 281.A O no hydrogen 3.068 N/A CYS 285.A N THR 247.A O no hydrogen 2.757 N/A CYS 285.A SG HIS 276.A ND1 no hydrogen 3.377 N/A MET 286.A N GLN 275.A O no hydrogen 2.812 N/A LEU 287.A N TYR 245.A O no hydrogen 2.953 N/A ASN 288.A ND2 SER 218.A O no hydrogen 3.604 N/A ILE 290.A N ILE 220.A O no hydrogen 2.947 N/A LEU 292.A N VAL 222.A O no hydrogen 2.832 N/A THR 298.A OG1 VAL 296.A O no hydrogen 2.495 N/A PHE 299.A N ASN 210.A O no hydrogen 2.645 N/A ILE 300.A N THR 221.A O no hydrogen 2.897 N/A LEU 301.A N ILE 212.A O no hydrogen 2.790 N/A ASP 303.A N THR 217.A O no hydrogen 2.946 N/A PHE 305.A N GLY 302.A O no hydrogen 2.759 N/A MET 306.A N GLY 302.A O no hydrogen 3.175 N/A ARG 307.A N ASP 303.A O no hydrogen 2.747 N/A ARG 307.A NH2 MET 15.A O no hydrogen 3.489 N/A LYS 308.A N PHE 305.A O no hydrogen 3.079 N/A LYS 308.A NZ THR 267.A O no hydrogen 2.658 N/A LYS 308.A NZ GLU 269.A OE2 no hydrogen 2.924 N/A LYS 308.A NZ TYR 309.A OH no hydrogen 2.838 N/A TYR 309.A N PHE 305.A O no hydrogen 2.915 N/A TYR 309.A OH THR 267.A O no hydrogen 3.131 N/A PHE 310.A N ALA 323.A O no hydrogen 2.655 N/A THR 311.A N PHE 156.A O no hydrogen 3.317 N/A VAL 312.A N GLY 321.A O no hydrogen 2.665 N/A PHE 313.A N PHE 154.A O no hydrogen 2.870 N/A ASP 314.A N SER 319.A O no hydrogen 3.039 N/A TYR 315.A N ALA 152.A O no hydrogen 2.851 N/A TYR 315.A OH GLY 127.A O no hydrogen 2.448 N/A ASN 317.A N ASP 314.A OD1 no hydrogen 2.565 N/A ASN 317.A ND2 ASP 314.A OD2 no hydrogen 2.708 N/A HIS 318.A N TYR 315.A O no hydrogen 3.280 N/A HIS 318.A ND1 ASP 190.A OD1 no hydrogen 3.122 N/A HIS 318.A ND1 ASP 190.A OD2 no hydrogen 3.084 N/A SER 319.A N ASP 314.A O no hydrogen 3.146 N/A VAL 320.A N GLU 185.A O no hydrogen 2.800 N/A GLY 321.A N VAL 312.A O no hydrogen 2.685 N/A ILE 322.A N THR 183.A O no hydrogen 2.794 N/A ALA 323.A N PHE 310.A O no hydrogen 3.058 N/A ALA 325.A N LYS 308.A O no hydrogen 3.061 N/A LYS 326.A N PHE 177.A O no hydrogen 2.853 N/A LYS 326.A NZ TYR 178.A O no hydrogen 3.077 N/A