Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ILE 12.A O no hydrogen 2.908 N/A THR 7.A N GLY 10.A O no hydrogen 2.920 N/A THR 7.A OG1 GLY 10.A O no hydrogen 2.559 N/A VAL 8.A N ILE 92.A O no hydrogen 2.841 N/A ARG 9.A N THR 7.A OG1 no hydrogen 3.181 N/A ARG 9.A NE GLN 86.A OE1 no hydrogen 3.265 N/A ARG 9.A NH2 ASP 89.A OD1 no hydrogen 3.556 N/A GLY 10.A N THR 7.A O no hydrogen 2.974 N/A ILE 12.A N ILE 5.A O no hydrogen 2.913 N/A VAL 14.A N ASP 3.A O no hydrogen 2.916 N/A GLU 16.A N PRO 13.A O no hydrogen 2.921 N/A ALA 17.A N VAL 14.A O no hydrogen 2.979 N/A PHE 19.A N GLN 64.A OE1 no hydrogen 2.944 N/A THR 20.A N THR 317.A O no hydrogen 3.008 N/A THR 20.A OG1 ALA 17.A O no hydrogen 3.494 N/A THR 20.A OG1 GLY 18.A O no hydrogen 2.881 N/A LEU 21.A N THR 65.A O no hydrogen 2.936 N/A HIS 23.A N SER 266.A OG no hydrogen 2.811 N/A GLU 24.A N VAL 67.A O no hydrogen 3.029 N/A HIS 25.A N TRP 269.A O no hydrogen 2.950 N/A HIS 25.A ND1 SER 70.A OG no hydrogen 2.825 N/A ILE 26.A N ASP 68.A OD2 no hydrogen 2.895 N/A ALA 28.A N GLY 272.A O no hydrogen 2.970 N/A SER 29.A N ILE 74.A O no hydrogen 2.810 N/A SER 29.A OG SER 274.A OG no hydrogen 2.792 N/A PHE 33.A N SER 30.A O no hydrogen 3.049 N/A ALA 36.A N GLY 32.A O no hydrogen 3.030 N/A TRP 37.A N PHE 33.A O no hydrogen 2.817 N/A PHE 40.A N TRP 37.A O no hydrogen 3.130 N/A PHE 41.A N PRO 38.A O no hydrogen 2.958 N/A GLY 42.A N GLU 39.A O no hydrogen 3.003 N/A ARG 44.A NH1 ASP 77.A OD2 no hydrogen 2.836 N/A ARG 44.A NH2 ASP 77.A OD1 no hydrogen 3.342 N/A ARG 44.A NH2 ASP 77.A OD2 no hydrogen 3.272 N/A ALA 46.A N SER 43.A OG no hydrogen 2.985 N/A LEU 47.A N SER 43.A O no hydrogen 3.137 N/A VAL 48.A N ARG 44.A O no hydrogen 2.918 N/A GLU 49.A N LYS 45.A O no hydrogen 2.981 N/A LYS 50.A N ALA 46.A O no hydrogen 2.948 N/A LYS 50.A NZ ASP 285.A OD2 no hydrogen 2.758 N/A ALA 51.A N LEU 47.A O no hydrogen 2.959 N/A VAL 52.A N VAL 48.A O no hydrogen 2.750 N/A ARG 53.A N GLU 49.A O no hydrogen 3.045 N/A GLY 54.A N LYS 50.A O no hydrogen 3.000 N/A LEU 55.A N ALA 51.A O no hydrogen 2.907 N/A ARG 56.A N VAL 52.A O no hydrogen 2.818 N/A ARG 56.A NE ALA 87.A O no hydrogen 3.312 N/A ARG 56.A NH2 ALA 87.A O no hydrogen 3.017 N/A HIS 57.A N ARG 53.A O no hydrogen 2.948 N/A HIS 57.A NE2 ASP 290.A OD1 no hydrogen 2.648 N/A ALA 58.A N GLY 54.A O no hydrogen 3.002 N/A ARG 59.A N LEU 55.A O no hydrogen 2.826 N/A ALA 60.A N ARG 56.A O no hydrogen 2.938 N/A ALA 61.A N HIS 57.A O no hydrogen 3.109 N/A GLY 62.A N ARG 59.A O no hydrogen 2.928 N/A VAL 63.A N ALA 58.A O no hydrogen 2.900 N/A GLN 64.A N PHE 19.A O no hydrogen 2.793 N/A THR 65.A N PHE 19.A O no hydrogen 3.132 N/A THR 65.A OG1 ALA 17.A O no hydrogen 2.645 N/A ILE 66.A N HIS 91.A O no hydrogen 2.875 N/A VAL 67.A N LEU 21.A O no hydrogen 2.805 N/A ASP 68.A N VAL 93.A O no hydrogen 2.808 N/A VAL 69.A N GLU 24.A O no hydrogen 3.064 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.981 N/A SER 70.A OG HIS 25.A ND1 no hydrogen 2.825 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.515 N/A THR 71.A OG1 ASP 73.A OD1 no hydrogen 2.703 N/A ILE 74.A N THR 71.A O no hydrogen 3.037 N/A GLY 75.A N PHE 72.A O no hydrogen 2.965 N/A ARG 76.A N THR 71.A O no hydrogen 3.240 N/A ARG 76.A NH1 ALA 95.A O no hydrogen 2.754 N/A ARG 76.A NH1 GLU 121.A OE1 no hydrogen 2.887 N/A ARG 76.A NH1 GLU 121.A OE2 no hydrogen 3.429 N/A ARG 76.A NH2 GLU 121.A OE2 no hydrogen 2.822 N/A ARG 79.A NH2 ASP 128.A OD1 no hydrogen 2.749 N/A LEU 80.A N ASP 77.A OD1 no hydrogen 2.971 N/A LEU 81.A N ASP 77.A O no hydrogen 3.066 N/A ALA 82.A N VAL 78.A O no hydrogen 2.843 N/A GLU 83.A N ARG 79.A O no hydrogen 3.050 N/A VAL 84.A N LEU 80.A O no hydrogen 2.976 N/A SER 85.A N LEU 81.A O no hydrogen 2.853 N/A SER 85.A OG VAL 90.A O no hydrogen 2.684 N/A GLN 86.A N ALA 82.A O no hydrogen 3.033 N/A ALA 87.A N GLU 83.A O no hydrogen 3.019 N/A ALA 88.A N VAL 84.A O no hydrogen 2.874 N/A VAL 90.A N SER 85.A O no hydrogen 3.367 N/A HIS 91.A N GLN 64.A O no hydrogen 2.970 N/A VAL 93.A N ILE 66.A O no hydrogen 2.907 N/A THR 96.A N ILE 135.A O no hydrogen 2.965 N/A THR 96.A OG1 GLU 121.A OE1 no hydrogen 2.641 N/A GLY 97.A N THR 96.A OG1 no hydrogen 2.771 N/A TRP 99.A N ASP 73.A OD1 no hydrogen 2.892 N/A ASP 101.A N ASP 73.A OD2 no hydrogen 2.832 N/A MET 106.A N PRO 103.A O no hydrogen 2.935 N/A ARG 107.A N PRO 103.A O no hydrogen 2.964 N/A ARG 107.A NH1 PRO 102.A O no hydrogen 2.826 N/A MET 108.A N LEU 104.A O no hydrogen 2.929 N/A ARG 109.A N MET 106.A O no hydrogen 2.960 N/A ARG 109.A NE GLU 113.A OE1 no hydrogen 3.039 N/A ARG 109.A NH1 SER 105.A O no hydrogen 2.865 N/A SER 110.A N GLU 113.A OE1 no hydrogen 3.045 N/A SER 110.A OG GLU 112.A OE1 no hydrogen 3.391 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.863 N/A GLU 113.A N SER 110.A OG no hydrogen 3.045 N/A LEU 114.A N SER 110.A O no hydrogen 2.901 N/A THR 115.A N VAL 111.A O no hydrogen 2.911 N/A THR 115.A OG1 VAL 111.A O no hydrogen 2.732 N/A GLN 116.A N GLU 112.A O no hydrogen 3.083 N/A PHE 117.A N GLU 113.A O no hydrogen 3.032 N/A PHE 118.A N LEU 114.A O no hydrogen 2.916 N/A LEU 119.A N THR 115.A O no hydrogen 2.900 N/A ARG 120.A N GLN 116.A O no hydrogen 2.889 N/A ARG 120.A NH1 GLU 127.A O no hydrogen 2.852 N/A GLU 121.A N PHE 117.A O no hydrogen 3.162 N/A ILE 122.A N PHE 118.A O no hydrogen 3.037 N/A GLN 123.A N LEU 119.A O no hydrogen 2.751 N/A HIS 124.A N ARG 120.A O no hydrogen 2.834 N/A GLY 125.A N ARG 120.A O no hydrogen 2.802 N/A ILE 126.A N ILE 131.A O no hydrogen 2.766 N/A THR 129.A N ILE 126.A O no hydrogen 2.958 N/A THR 129.A OG1 ILE 126.A O no hydrogen 2.709 N/A ILE 131.A N THR 129.A OG1 no hydrogen 2.983 N/A ALA 133.A N GLU 121.A O no hydrogen 2.947 N/A GLY 134.A N ALA 94.A O no hydrogen 2.902 N/A ILE 136.A N PRO 164.A O no hydrogen 2.814 N/A THR 139.A N HIS 168.A O no hydrogen 3.263 N/A THR 140.A N GLN 147.A OE1 no hydrogen 3.298 N/A GLY 141.A N SER 170.A OG no hydrogen 2.875 N/A ALA 143.A N GLN 178.A OE1 no hydrogen 2.747 N/A THR 144.A N GLN 147.A OE1 no hydrogen 3.044 N/A GLN 147.A N THR 144.A OG1 no hydrogen 3.130 N/A GLU 148.A N THR 144.A O no hydrogen 3.019 N/A LEU 149.A N PRO 145.A O no hydrogen 3.238 N/A VAL 150.A N PHE 146.A O no hydrogen 3.008 N/A LEU 151.A N GLN 147.A O no hydrogen 2.907 N/A ARG 152.A N GLU 148.A O no hydrogen 3.006 N/A ARG 152.A NH1 SER 185.A OG no hydrogen 2.920 N/A ARG 152.A NH1 GLU 186.A OE2 no hydrogen 2.818 N/A ARG 152.A NH2 GLU 148.A OE1 no hydrogen 3.553 N/A ALA 153.A N LEU 149.A O no hydrogen 2.786 N/A ALA 154.A N VAL 150.A O no hydrogen 2.808 N/A ALA 155.A N LEU 151.A O no hydrogen 2.993 N/A ARG 156.A N ARG 152.A O no hydrogen 2.981 N/A ARG 156.A NE GLU 186.A OE1 no hydrogen 2.807 N/A ARG 156.A NH2 GLU 186.A OE1 no hydrogen 3.502 N/A ARG 156.A NH2 GLU 186.A OE2 no hydrogen 2.989 N/A ALA 157.A N ALA 153.A O no hydrogen 2.958 N/A SER 158.A N ALA 154.A O no hydrogen 2.886 N/A SER 158.A OG VAL 163.A O no hydrogen 2.723 N/A LEU 159.A N ALA 155.A O no hydrogen 2.855 N/A ALA 160.A N ARG 156.A O no hydrogen 2.979 N/A THR 161.A N SER 158.A O no hydrogen 3.079 N/A THR 161.A OG1 ALA 157.A O no hydrogen 2.742 N/A GLY 162.A N SER 158.A O no hydrogen 2.619 N/A VAL 163.A N THR 161.A OG1 no hydrogen 3.306 N/A VAL 165.A N ARG 192.A O no hydrogen 2.771 N/A THR 166.A N ILE 136.A O no hydrogen 2.783 N/A THR 167.A N CYS 194.A O no hydrogen 2.855 N/A THR 167.A OG1 GLN 179.A OE1 no hydrogen 2.749 N/A THR 167.A OG1 CYS 194.A O no hydrogen 3.560 N/A HIS 168.A N VAL 137.A O no hydrogen 2.808 N/A THR 169.A OG1 SER 170.A O no hydrogen 3.365 N/A THR 169.A OG1 GLY 196.A O no hydrogen 2.787 N/A GLU 177.A N ARG 174.A O no hydrogen 3.267 N/A GLN 179.A N GLY 175.A O no hydrogen 3.176 N/A GLN 179.A NE2 THR 139.A OG1 no hydrogen 2.905 N/A GLN 179.A NE2 HIS 168.A O no hydrogen 2.894 N/A ALA 180.A N GLY 176.A O no hydrogen 2.872 N/A ALA 181.A N GLU 177.A O no hydrogen 2.949 N/A ILE 182.A N GLN 178.A O no hydrogen 3.019 N/A PHE 183.A N GLN 179.A O no hydrogen 2.907 N/A GLU 184.A N ALA 180.A O no hydrogen 2.841 N/A SER 185.A N ALA 181.A O no hydrogen 3.036 N/A SER 185.A OG ILE 182.A O no hydrogen 2.687 N/A GLU 186.A N ILE 182.A O no hydrogen 3.303 N/A GLU 186.A N PHE 183.A O no hydrogen 3.065 N/A GLY 187.A N GLU 184.A O no hydrogen 2.869 N/A LEU 188.A N PHE 183.A O no hydrogen 3.089 N/A SER 189.A OG SER 191.A OG no hydrogen 3.009 N/A SER 191.A OG SER 189.A OG no hydrogen 3.009 N/A ARG 192.A N SER 189.A O no hydrogen 2.880 N/A ARG 192.A NH1 GLY 162.A O no hydrogen 2.819 N/A ARG 192.A NH1 PHE 324.A O no hydrogen 2.920 N/A ARG 192.A NH2 SER 191.A O no hydrogen 3.502 N/A ARG 192.A NH2 ARG 323.A O no hydrogen 3.050 N/A ARG 192.A NH2 PHE 324.A O no hydrogen 2.977 N/A VAL 193.A N PRO 190.A O no hydrogen 2.931 N/A CYS 194.A N VAL 165.A O no hydrogen 2.888 N/A CYS 194.A SG LEU 216.A O no hydrogen 3.849 N/A ILE 195.A N LEU 216.A O no hydrogen 2.818 N/A GLY 196.A N THR 167.A OG1 no hydrogen 3.153 N/A HIS 197.A N ASP 220.A OD2 no hydrogen 2.827 N/A HIS 197.A ND1 ASP 220.A OD1 no hydrogen 2.606 N/A SER 198.A N GLY 218.A O no hydrogen 2.890 N/A SER 198.A OG ILE 195.A O no hydrogen 2.765 N/A ASP 200.A N HIS 197.A O no hydrogen 3.324 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 2.553 N/A TYR 206.A N ASP 203.A OD1 no hydrogen 3.145 N/A LEU 207.A N ASP 203.A O no hydrogen 3.041 N/A THR 208.A N LEU 204.A O no hydrogen 2.790 N/A THR 208.A OG1 LEU 204.A O no hydrogen 2.732 N/A THR 208.A OG1 SER 205.A O no hydrogen 3.444 N/A GLY 209.A N SER 205.A O no hydrogen 2.910 N/A LEU 210.A N TYR 206.A O no hydrogen 3.098 N/A ALA 211.A N LEU 207.A O no hydrogen 2.894 N/A ALA 212.A N THR 208.A O no hydrogen 2.717 N/A ARG 213.A N LEU 210.A O no hydrogen 3.089 N/A ARG 213.A NH2 GLU 184.A OE1 no hydrogen 3.531 N/A ARG 213.A NH2 GLU 184.A OE2 no hydrogen 2.756 N/A GLY 214.A N ALA 211.A O no hydrogen 2.931 N/A TYR 215.A N LEU 210.A O no hydrogen 3.180 N/A TYR 215.A OH GLU 184.A OE2 no hydrogen 2.597 N/A LEU 216.A N VAL 193.A O no hydrogen 2.910 N/A VAL 217.A N ARG 262.A O no hydrogen 2.752 N/A GLY 218.A N ILE 195.A O no hydrogen 2.976 N/A LEU 219.A N LEU 264.A O no hydrogen 2.770 N/A ASP 220.A N ASP 199.A OD1 no hydrogen 3.271 N/A ARG 221.A N ASP 199.A OD2 no hydrogen 2.985 N/A ARG 221.A NE ASP 268.A OD2 no hydrogen 2.962 N/A ARG 221.A NH1 ASP 200.A OD1 no hydrogen 3.494 N/A ARG 221.A NH2 ASP 268.A OD2 no hydrogen 3.423 N/A MET 222.A N SER 266.A O no hydrogen 3.268 N/A TYR 224.A N ARG 221.A O no hydrogen 3.096 N/A TYR 224.A OH ASP 268.A O no hydrogen 2.743 N/A SER 225.A N PRO 223.A O no hydrogen 2.848 N/A SER 225.A OG ARG 242.A O no hydrogen 2.708 N/A ALA 226.A N SER 240.A O no hydrogen 2.816 N/A ASN 232.A N LEU 229.A O no hydrogen 2.787 N/A SER 234.A OG ASN 232.A OD1 no hydrogen 3.363 N/A ALA 235.A N ASN 232.A OD1 no hydrogen 3.140 N/A LEU 236.A N ASN 232.A O no hydrogen 2.840 N/A ALA 237.A N ALA 233.A O no hydrogen 3.046 N/A LEU 238.A N ALA 235.A O no hydrogen 3.016 N/A PHE 239.A N ALA 235.A O no hydrogen 3.147 N/A SER 240.A N TYR 224.A O no hydrogen 2.850 N/A SER 240.A OG ARG 242.A O no hydrogen 3.245 N/A ARG 242.A NE ASP 202.A OD2 no hydrogen 3.194 N/A ARG 242.A NH1 ASP 199.A O no hydrogen 3.276 N/A ARG 242.A NH2 ASP 199.A O no hydrogen 2.848 N/A ARG 242.A NH2 ASP 202.A OD1 no hydrogen 3.336 N/A SER 243.A OG GLN 245.A OE1 no hydrogen 3.209 N/A GLN 245.A N GLN 245.A OE1 no hydrogen 2.869 N/A THR 246.A N SER 243.A O no hydrogen 3.178 N/A ARG 247.A NH1 ASP 199.A OD2 no hydrogen 3.171 N/A ARG 247.A NH2 TYR 224.A O no hydrogen 3.145 N/A ALA 248.A N TRP 244.A O no hydrogen 2.882 N/A LEU 249.A N GLN 245.A O no hydrogen 2.783 N/A LEU 250.A N THR 246.A O no hydrogen 3.362 N/A LEU 250.A N ARG 247.A O no hydrogen 3.106 N/A ILE 251.A N ALA 248.A O no hydrogen 3.024 N/A LYS 252.A N ALA 248.A O no hydrogen 3.436 N/A LYS 252.A NZ ASP 256.A OD2 no hydrogen 2.895 N/A ALA 253.A N LEU 249.A O no hydrogen 2.758 N/A LEU 254.A N LEU 250.A O no hydrogen 2.975 N/A ILE 255.A N ILE 251.A O no hydrogen 2.905 N/A ASP 256.A N LYS 252.A O no hydrogen 2.775 N/A ARG 257.A N ALA 253.A O no hydrogen 3.150 N/A ARG 257.A NH1 ALA 253.A O no hydrogen 2.955 N/A GLY 258.A N ILE 255.A O no hydrogen 3.022 N/A TYR 259.A N LEU 254.A O no hydrogen 3.061 N/A LYS 260.A NZ ASP 261.A OD1 no hydrogen 3.034 N/A ARG 262.A N TYR 259.A O no hydrogen 2.946 N/A ARG 262.A NH1 GLY 214.A O no hydrogen 3.042 N/A LEU 264.A N VAL 217.A O no hydrogen 3.001 N/A SER 266.A N LEU 219.A O no hydrogen 3.074 N/A SER 266.A OG HIS 23.A O no hydrogen 3.306 N/A SER 266.A OG GLU 24.A OE2 no hydrogen 2.878 N/A HIS 267.A N GLU 24.A OE2 no hydrogen 2.780 N/A HIS 267.A ND1 GLU 24.A OE2 no hydrogen 2.807 N/A ASP 268.A N HIS 23.A O no hydrogen 2.958 N/A TRP 269.A N GLU 24.A OE1 no hydrogen 2.939 N/A PHE 271.A N ILE 26.A O no hydrogen 2.826 N/A SER 274.A N ALA 28.A O no hydrogen 2.956 N/A SER 274.A OG SER 29.A OG no hydrogen 2.792 N/A TYR 276.A OH SER 234.A O no hydrogen 2.687 N/A ILE 280.A N VAL 277.A O no hydrogen 3.285 N/A ASP 282.A N ASN 279.A O no hydrogen 3.065 N/A MET 284.A N ILE 280.A O no hydrogen 3.050 N/A ASP 285.A N MET 281.A O no hydrogen 2.846 N/A ARG 286.A N ASP 282.A O no hydrogen 3.197 N/A ILE 287.A N VAL 283.A O no hydrogen 3.136 N/A ASN 288.A N MET 284.A O no hydrogen 2.892 N/A ASN 288.A ND2 GLY 291.A O no hydrogen 2.893 N/A GLY 291.A N ASN 288.A O no hydrogen 3.025 N/A ALA 293.A N ASP 290.A O no hydrogen 2.861 N/A PHE 294.A N GLY 291.A O no hydrogen 3.262 N/A VAL 295.A N HIS 267.A NE2 no hydrogen 2.869 N/A LEU 297.A N ALA 293.A O no hydrogen 2.960 N/A ARG 298.A N PHE 294.A O no hydrogen 2.864 N/A VAL 299.A N PHE 294.A O no hydrogen 3.396 N/A ILE 300.A N VAL 295.A O no hydrogen 2.936 N/A PHE 302.A N ARG 298.A O no hydrogen 3.124 N/A LEU 303.A N VAL 299.A O no hydrogen 3.021 N/A ARG 304.A N ILE 300.A O no hydrogen 2.920 N/A GLU 305.A N PRO 301.A O no hydrogen 2.806 N/A LYS 306.A N PHE 302.A O no hydrogen 2.916 N/A GLY 307.A N ARG 304.A O no hydrogen 2.937 N/A VAL 308.A N LEU 303.A O no hydrogen 2.953 N/A LEU 313.A N PRO 309.A O no hydrogen 3.066 N/A ALA 314.A N PRO 310.A O no hydrogen 2.847 N/A GLY 315.A N GLU 311.A O no hydrogen 2.917 N/A VAL 316.A N THR 312.A O no hydrogen 2.980 N/A THR 317.A N LEU 313.A O no hydrogen 2.996 N/A THR 317.A OG1 LEU 313.A O no hydrogen 2.825 N/A VAL 318.A N ALA 314.A O no hydrogen 2.836 N/A ALA 319.A N ALA 314.A O no hydrogen 3.425 N/A ASN 320.A N GLY 315.A O no hydrogen 2.830 N/A ASN 320.A ND2 LYS 260.A O no hydrogen 2.762 N/A ASN 320.A ND2 ILE 263.A O no hydrogen 2.804 N/A ALA 322.A N VAL 318.A O no hydrogen 3.195 N/A ARG 323.A N ALA 319.A O no hydrogen 2.938 N/A ARG 323.A NH1 ASN 320.A OD1 no hydrogen 3.104 N/A PHE 324.A N ASN 320.A O no hydrogen 2.967 N/A LEU 325.A N PRO 321.A O no hydrogen 2.870 N/A SER 326.A N ALA 322.A O no hydrogen 2.967 N/A SER 326.A OG ASP 3.A OD2 no hydrogen 3.544 N/A SER 326.A OG ALA 322.A O no hydrogen 2.621 N/A THR 328.A N GLY 162.A O no hydrogen 3.028 N/A THR 328.A OG1 SER 326.A O no hydrogen 2.531 N/A