Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iw6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 PRO 87.A O no hydrogen 2.556 N/A TYR 6.A N VAL 17.A O no hydrogen 3.022 N/A TYR 6.A OH TYR 21.A O no hydrogen 2.522 N/A GLN 8.A N TRP 15.A O no hydrogen 3.203 N/A LEU 10.A N THR 13.A O no hydrogen 2.846 N/A THR 13.A N LEU 10.A O no hydrogen 3.307 N/A THR 13.A OG1 LEU 10.A O no hydrogen 3.253 N/A THR 13.A OG1 ASN 11.A O no hydrogen 3.289 N/A TRP 15.A N GLN 8.A O no hydrogen 3.064 N/A GLU 16.A N TYR 98.A OH no hydrogen 2.867 N/A VAL 17.A N TYR 6.A O no hydrogen 3.099 N/A GLU 19.A N THR 4.A O no hydrogen 2.904 N/A ARG 20.A NE ASP 38.A OD1 no hydrogen 2.812 N/A ARG 20.A NH2 ASP 38.A OD2 no hydrogen 2.811 N/A TYR 21.A N PRO 18.A O no hydrogen 3.076 N/A TYR 21.A OH ASP 83.A OD1 no hydrogen 2.602 N/A GLN 22.A N PHE 37.A O no hydrogen 2.853 N/A GLN 22.A NE2 GLU 19.A O no hydrogen 2.870 N/A GLN 22.A NE2 GLU 19.A OE2 no hydrogen 3.162 N/A SER 25.A N ALA 35.A O no hydrogen 2.870 N/A VAL 27.A N VAL 33.A O no hydrogen 2.888 N/A GLY 28.A N VAL 33.A O no hydrogen 3.341 N/A SER 32.A N LYS 49.A O no hydrogen 3.193 N/A VAL 33.A N GLY 28.A O no hydrogen 2.690 N/A CYS 34.A N VAL 47.A O no hydrogen 2.915 N/A ALA 35.A N SER 25.A O no hydrogen 2.761 N/A ALA 36.A N VAL 45.A O no hydrogen 2.795 N/A PHE 37.A N GLN 22.A O no hydrogen 2.756 N/A ASP 38.A N LEU 43.A O no hydrogen 2.802 N/A THR 39.A N ARG 20.A O no hydrogen 2.914 N/A THR 39.A OG1 ARG 20.A O no hydrogen 2.941 N/A LYS 40.A N ASP 38.A OD1 no hydrogen 3.015 N/A THR 41.A N ASP 38.A O no hydrogen 3.324 N/A THR 41.A OG1 ASP 38.A O no hydrogen 3.547 N/A THR 41.A OG1 ASP 38.A OD2 no hydrogen 2.659 N/A GLY 42.A N ASP 38.A O no hydrogen 2.938 N/A LEU 43.A N THR 41.A OG1 no hydrogen 3.292 N/A VAL 45.A N ALA 36.A O no hydrogen 2.768 N/A ALA 46.A N THR 101.A O no hydrogen 2.795 N/A VAL 47.A N CYS 34.A O no hydrogen 2.708 N/A LYS 48.A N LEU 99.A O no hydrogen 2.778 N/A LYS 48.A NZ GLU 66.A OE1 no hydrogen 2.703 N/A LYS 48.A NZ GLU 66.A OE2 no hydrogen 3.151 N/A LYS 49.A N SER 32.A O no hydrogen 2.897 N/A LYS 49.A NZ ILE 14.A O no hydrogen 2.642 N/A LEU 50.A N VAL 97.A O no hydrogen 2.925 N/A SER 51.A N TYR 30.A O no hydrogen 3.054 N/A GLN 55.A N ARG 52.A O no hydrogen 3.424 N/A HIS 59.A N SER 56.A OG no hydrogen 3.071 N/A HIS 59.A ND1 ARG 52.A O no hydrogen 2.573 N/A ALA 60.A N SER 56.A O no hydrogen 3.053 N/A LYS 61.A N ILE 57.A O no hydrogen 2.803 N/A LYS 61.A NZ ARG 314.A O no hydrogen 2.833 N/A ARG 62.A N ILE 58.A O no hydrogen 3.000 N/A THR 63.A N HIS 59.A O no hydrogen 2.785 N/A THR 63.A OG1 PRO 53.A O no hydrogen 3.241 N/A THR 63.A OG1 HIS 59.A O no hydrogen 2.831 N/A TYR 64.A N ALA 60.A O no hydrogen 2.942 N/A ARG 65.A N LYS 61.A O no hydrogen 2.991 N/A GLU 66.A N ARG 62.A O no hydrogen 2.934 N/A LEU 67.A N THR 63.A O no hydrogen 2.979 N/A ARG 68.A N TYR 64.A O no hydrogen 2.879 N/A LEU 69.A N ARG 65.A O no hydrogen 2.906 N/A LEU 70.A N GLU 66.A O no hydrogen 2.948 N/A LYS 71.A N LEU 67.A O no hydrogen 2.930 N/A LYS 71.A NZ GLU 328.A O no hydrogen 2.927 N/A LYS 71.A NZ GLU 328.A OE1 no hydrogen 2.696 N/A HIS 72.A N ARG 68.A O no hydrogen 3.133 N/A HIS 72.A N LEU 69.A O no hydrogen 2.971 N/A HIS 72.A ND1 ARG 68.A O no hydrogen 2.805 N/A MET 73.A N LEU 69.A O no hydrogen 3.081 N/A LYS 74.A N TYR 135.A OH no hydrogen 3.053 N/A ASN 77.A N HIS 75.A ND1 no hydrogen 2.820 N/A ASN 77.A ND2 LEU 159.A O no hydrogen 3.190 N/A VAL 78.A N HIS 75.A O no hydrogen 3.260 N/A ILE 79.A N ILE 161.A O no hydrogen 2.815 N/A LEU 82.A N VAL 100.A O no hydrogen 2.637 N/A ASP 83.A N VAL 100.A O no hydrogen 3.357 N/A PHE 85.A N TYR 98.A O no hydrogen 3.017 N/A THR 86.A OG1 ASP 96.A O no hydrogen 2.733 N/A ALA 88.A N THR 86.A OG1 no hydrogen 3.293 N/A GLU 93.A N SER 90.A O no hydrogen 3.255 N/A PHE 94.A N LEU 91.A O no hydrogen 3.197 N/A TYR 98.A N PHE 85.A O no hydrogen 2.966 N/A LEU 99.A N LYS 48.A O no hydrogen 2.769 N/A VAL 100.A N ASP 83.A O no hydrogen 2.995 N/A THR 101.A N ALA 46.A O no hydrogen 2.984 N/A THR 101.A OG1 GLY 80.A O no hydrogen 2.544 N/A LEU 103.A N ARG 44.A O no hydrogen 3.142 N/A LEU 108.A N PRO 148.A O no hydrogen 3.202 N/A LEU 108.A N LEU 151.A O no hydrogen 3.081 N/A ASN 110.A N ASP 107.A O no hydrogen 2.861 N/A ILE 111.A N ASP 107.A O no hydrogen 3.371 N/A VAL 112.A N LEU 108.A O no hydrogen 2.987 N/A LYS 113.A N ASN 109.A O no hydrogen 2.771 N/A GLN 115.A N VAL 112.A O no hydrogen 3.447 N/A LEU 117.A N LEU 200.A O no hydrogen 2.953 N/A HIS 121.A N THR 118.A OG1 no hydrogen 3.264 N/A HIS 121.A NE2 SER 157.A OG no hydrogen 2.685 N/A VAL 122.A N THR 118.A O no hydrogen 2.856 N/A GLN 123.A N ASP 119.A O no hydrogen 2.888 N/A PHE 124.A N ASP 120.A O no hydrogen 3.095 N/A LEU 125.A N HIS 121.A O no hydrogen 3.041 N/A ILE 126.A N VAL 122.A O no hydrogen 2.951 N/A TYR 127.A N GLN 123.A O no hydrogen 2.923 N/A TYR 127.A OH GLU 301.A OE1 no hydrogen 2.645 N/A GLN 128.A N PHE 124.A O no hydrogen 3.207 N/A GLN 128.A NE2 PHE 124.A O no hydrogen 3.077 N/A GLN 128.A NE2 SER 157.A O no hydrogen 2.944 N/A ILE 129.A N LEU 125.A O no hydrogen 3.120 N/A LEU 130.A N ILE 126.A O no hydrogen 2.885 N/A ARG 131.A N TYR 127.A O no hydrogen 2.889 N/A ARG 131.A NE ASP 300.A O no hydrogen 2.852 N/A ARG 131.A NH1 GLU 76.A OE2 no hydrogen 3.328 N/A ARG 131.A NH1 ASN 77.A OD1 no hydrogen 2.940 N/A ARG 131.A NH2 GLU 76.A OE2 no hydrogen 3.429 N/A ARG 131.A NH2 ASP 300.A O no hydrogen 2.959 N/A ARG 131.A NH2 ASP 300.A OD2 no hydrogen 2.992 N/A GLY 132.A N GLN 128.A O no hydrogen 2.915 N/A LEU 133.A N ILE 129.A O no hydrogen 2.904 N/A LYS 134.A N LEU 130.A O no hydrogen 2.775 N/A LYS 134.A NZ GLU 301.A O no hydrogen 2.734 N/A TYR 135.A N ARG 131.A O no hydrogen 3.418 N/A TYR 135.A OH HIS 72.A O no hydrogen 3.399 N/A ILE 136.A N GLY 132.A O no hydrogen 2.964 N/A HIS 137.A N LEU 133.A O no hydrogen 2.811 N/A HIS 137.A NE2 ASP 189.A OD1 no hydrogen 2.847 N/A SER 138.A N LYS 134.A O no hydrogen 2.845 N/A SER 138.A OG LYS 134.A O no hydrogen 3.424 N/A SER 138.A OG TYR 135.A O no hydrogen 2.602 N/A ALA 139.A N ILE 136.A O no hydrogen 3.102 N/A ASP 140.A N HIS 137.A O no hydrogen 3.047 N/A ILE 141.A N ILE 136.A O no hydrogen 3.263 N/A HIS 143.A N ASP 189.A OD1 no hydrogen 2.770 N/A HIS 143.A NE2 LEU 162.A O no hydrogen 2.717 N/A ARG 144.A N ASP 189.A OD2 no hydrogen 2.792 N/A ASP 145.A N HIS 143.A ND1 no hydrogen 3.203 N/A LYS 147.A NZ ASP 145.A OD1 no hydrogen 3.000 N/A ASN 150.A N LYS 147.A O no hydrogen 2.900 N/A LEU 151.A N PRO 148.A O no hydrogen 3.320 N/A ALA 152.A N LYS 160.A O no hydrogen 2.823 N/A VAL 153.A N ALA 106.A O no hydrogen 2.806 N/A ASN 154.A N GLU 158.A O no hydrogen 2.861 N/A ASN 154.A ND2 GLU 158.A OE2 no hydrogen 3.172 N/A SER 157.A N ASN 154.A O no hydrogen 3.100 N/A SER 157.A OG HIS 121.A NE2 no hydrogen 2.685 N/A GLU 158.A N ASN 154.A OD1 no hydrogen 3.065 N/A LEU 159.A N GLN 128.A OE1 no hydrogen 2.891 N/A LYS 160.A N ALA 152.A O no hydrogen 2.775 N/A ILE 161.A N ASN 77.A O no hydrogen 2.885 N/A LEU 162.A N ASN 150.A O no hydrogen 2.758 N/A PHE 164.A N ASP 163.A OD1 no hydrogen 2.787 N/A THR 169.A OG1 ASP 145.A OD2 no hydrogen 3.556 N/A ARG 170.A NH1 GLY 209.A O no hydrogen 3.304 N/A ARG 170.A NH2 GLY 209.A O no hydrogen 3.190 N/A TRP 171.A N ALA 168.A O no hydrogen 3.458 N/A TRP 171.A NE1 GLY 209.A O no hydrogen 2.958 N/A TYR 172.A N THR 169.A O no hydrogen 3.271 N/A TYR 172.A OH GLU 199.A OE1 no hydrogen 2.658 N/A TYR 172.A OH GLU 199.A OE2 no hydrogen 3.091 N/A ARG 173.A N ARG 170.A O no hydrogen 3.083 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.636 N/A ILE 177.A N ALA 174.A O no hydrogen 2.918 N/A MET 178.A N ALA 174.A O no hydrogen 3.128 N/A LEU 179.A N PRO 175.A O no hydrogen 3.019 N/A ASN 180.A N ILE 177.A O no hydrogen 3.286 N/A TRP 181.A N GLU 176.A O no hydrogen 3.078 N/A THR 187.A OG1 SER 277.A O no hydrogen 2.691 N/A VAL 188.A N ASN 185.A O no hydrogen 3.084 N/A ASP 189.A N GLN 186.A O no hydrogen 3.011 N/A TRP 191.A N THR 187.A O no hydrogen 3.104 N/A SER 192.A N VAL 188.A O no hydrogen 3.490 N/A SER 192.A OG LEU 146.A O no hydrogen 3.560 N/A SER 192.A OG TYR 172.A O no hydrogen 2.753 N/A SER 192.A OG VAL 188.A O no hydrogen 3.432 N/A VAL 193.A N ASP 189.A O no hydrogen 3.071 N/A GLY 194.A N ILE 190.A O no hydrogen 2.981 N/A CYS 195.A N TRP 191.A O no hydrogen 3.083 N/A CYS 195.A SG TRP 191.A O no hydrogen 3.393 N/A ILE 196.A N SER 192.A O no hydrogen 3.057 N/A MET 197.A N VAL 193.A O no hydrogen 2.891 N/A ALA 198.A N GLY 194.A O no hydrogen 2.940 N/A GLU 199.A N CYS 195.A O no hydrogen 3.321 N/A LEU 200.A N ILE 196.A O no hydrogen 2.885 N/A LEU 201.A N MET 197.A O no hydrogen 3.109 N/A THR 202.A N ALA 198.A O no hydrogen 3.057 N/A THR 202.A OG1 ALA 198.A O no hydrogen 2.960 N/A GLY 203.A N GLU 199.A O no hydrogen 2.717 N/A ARG 204.A N THR 202.A OG1 no hydrogen 3.145 N/A GLY 209.A N PHE 207.A O no hydrogen 2.831 N/A THR 210.A N ASP 214.A OD1 no hydrogen 2.837 N/A THR 210.A OG1 ASP 214.A OD1 no hydrogen 3.396 N/A ASP 214.A N ASP 211.A OD2 no hydrogen 2.993 N/A GLN 215.A N ASP 211.A O no hydrogen 3.061 N/A GLN 215.A NE2 ARG 170.A O no hydrogen 2.141 N/A LEU 216.A N HIS 212.A O no hydrogen 3.129 N/A LYS 217.A N ILE 213.A O no hydrogen 2.873 N/A LEU 218.A N ASP 214.A O no hydrogen 2.917 N/A ILE 219.A N GLN 215.A O no hydrogen 2.984 N/A LEU 220.A N LEU 216.A O no hydrogen 2.896 N/A ARG 221.A N LYS 217.A O no hydrogen 2.996 N/A LEU 222.A N LEU 218.A O no hydrogen 3.338 N/A LEU 222.A N ILE 219.A O no hydrogen 3.039 N/A VAL 223.A N ILE 219.A O no hydrogen 2.971 N/A GLY 224.A N LEU 220.A O no hydrogen 2.833 N/A THR 225.A N MET 249.A O no hydrogen 3.061 N/A THR 225.A OG1 MET 249.A O no hydrogen 3.297 N/A LEU 231.A N GLY 227.A O no hydrogen 3.105 N/A LYS 232.A N ALA 228.A O no hydrogen 3.260 N/A LYS 233.A N LEU 230.A O no hydrogen 2.964 N/A LYS 233.A NZ ASP 276.A OD1 no hydrogen 3.143 N/A LYS 233.A NZ ASP 276.A OD2 no hydrogen 2.526 N/A LYS 233.A NZ ASP 278.A OD1 no hydrogen 3.103 N/A ILE 234.A N LEU 231.A O no hydrogen 3.241 N/A SER 238.A OG SER 236.A OG no hydrogen 3.125 N/A ALA 239.A N SER 236.A OG no hydrogen 3.175 N/A ARG 240.A N SER 236.A O no hydrogen 2.918 N/A ARG 240.A NH1 LEU 231.A O no hydrogen 2.449 N/A ASN 241.A N GLU 237.A O no hydrogen 2.899 N/A ASN 241.A ND2 GLU 237.A OE1 no hydrogen 3.433 N/A TYR 242.A N SER 238.A O no hydrogen 2.849 N/A ILE 243.A N ALA 239.A O no hydrogen 2.892 N/A GLN 244.A N ARG 240.A O no hydrogen 3.063 N/A SER 245.A N ASN 241.A O no hydrogen 3.185 N/A SER 245.A N TYR 242.A O no hydrogen 3.027 N/A SER 245.A OG TYR 242.A O no hydrogen 2.607 N/A LEU 246.A N ILE 243.A O no hydrogen 3.076 N/A MET 249.A N THR 225.A OG1 no hydrogen 2.821 N/A LYS 251.A NZ MET 252.A O no hydrogen 2.870 N/A LYS 251.A NZ GLU 270.A OE1 no hydrogen 3.507 N/A LYS 251.A NZ GLU 270.A OE2 no hydrogen 2.648 N/A MET 252.A N LEU 222.A O no hydrogen 2.875 N/A PHE 254.A N GLU 270.A OE1 no hydrogen 3.359 N/A ASN 256.A N ASN 253.A O no hydrogen 3.008 N/A VAL 257.A N PHE 254.A O no hydrogen 3.137 N/A PHE 258.A N PHE 254.A O no hydrogen 2.738 N/A ALA 261.A N PHE 258.A O no hydrogen 3.317 N/A ASN 262.A ND2 ASP 119.A OD2 no hydrogen 2.856 N/A LEU 264.A N ASN 262.A OD1 no hydrogen 2.839 N/A VAL 266.A N ASN 262.A O no hydrogen 3.036 N/A ASP 267.A N PRO 263.A O no hydrogen 2.916 N/A LEU 268.A N LEU 264.A O no hydrogen 2.936 N/A LEU 269.A N ALA 265.A O no hydrogen 2.967 N/A GLU 270.A N VAL 266.A O no hydrogen 3.136 N/A LYS 271.A N ASP 267.A O no hydrogen 3.397 N/A LYS 271.A N LEU 268.A O no hydrogen 3.057 N/A LYS 271.A NZ ASP 267.A OD1 no hydrogen 3.384 N/A LYS 271.A NZ ASP 267.A OD2 no hydrogen 2.657 N/A MET 272.A N LEU 268.A O no hydrogen 2.975 N/A MET 272.A N LEU 269.A O no hydrogen 3.118 N/A LEU 273.A N LEU 269.A O no hydrogen 2.823 N/A ASP 278.A N ASP 276.A OD1 no hydrogen 2.958 N/A LYS 279.A N ASP 276.A O no hydrogen 2.958 N/A ARG 280.A NE VAL 274.A O no hydrogen 2.688 N/A ARG 280.A NH1 GLU 176.A OE1 no hydrogen 2.827 N/A ARG 280.A NH1 THR 187.A O no hydrogen 3.200 N/A ARG 280.A NH2 GLU 176.A OE2 no hydrogen 2.943 N/A ARG 280.A NH2 VAL 274.A O no hydrogen 3.483 N/A ARG 280.A NH2 LEU 275.A O no hydrogen 3.087 N/A ILE 281.A N LYS 271.A O no hydrogen 2.976 N/A THR 282.A N GLN 285.A OE1 no hydrogen 3.035 N/A GLN 285.A N THR 282.A OG1 no hydrogen 3.135 N/A ALA 286.A N THR 282.A O no hydrogen 3.001 N/A LEU 287.A N ALA 283.A O no hydrogen 3.089 N/A ALA 288.A N GLN 285.A O no hydrogen 3.078 N/A HIS 289.A N ALA 286.A O no hydrogen 3.016 N/A HIS 289.A NE2 ASP 267.A OD2 no hydrogen 2.582 N/A TYR 291.A N HIS 289.A ND1 no hydrogen 3.152 N/A TYR 291.A OH ASP 119.A OD1 no hydrogen 2.575 N/A PHE 292.A N HIS 289.A O no hydrogen 3.048 N/A ALA 293.A N ALA 290.A O no hydrogen 3.046 N/A TYR 295.A N PHE 292.A O no hydrogen 2.845 N/A TYR 295.A OH ASP 120.A O no hydrogen 3.427 N/A HIS 296.A N PHE 292.A O no hydrogen 2.876 N/A ASP 297.A N GLU 301.A OE1 no hydrogen 3.287 N/A ASP 299.A N ASP 297.A OD1 no hydrogen 2.958 N/A ASP 300.A N ASP 297.A O no hydrogen 2.800 N/A ALA 304.A N SER 138.A OG no hydrogen 2.730 N/A TYR 307.A N ALA 139.A O no hydrogen 3.249 N/A TYR 307.A OH GLU 312.A OE1 no hydrogen 2.516 N/A GLN 309.A N TYR 307.A O no hydrogen 2.820 N/A GLN 309.A NE2 ASP 140.A O no hydrogen 2.948 N/A SER 310.A N ASP 308.A OD1 no hydrogen 3.036 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.617 N/A SER 313.A N SER 310.A O no hydrogen 3.211 N/A SER 313.A OG GLN 309.A O no hydrogen 3.553 N/A SER 313.A OG SER 310.A O no hydrogen 3.031 N/A ARG 314.A NE LEU 311.A O no hydrogen 2.652 N/A ARG 314.A NH2 LEU 311.A O no hydrogen 3.194 N/A LEU 317.A N GLU 320.A OE1 no hydrogen 2.943 N/A TRP 321.A N LEU 317.A O no hydrogen 3.105 N/A LYS 322.A N ILE 318.A O no hydrogen 2.741 N/A LYS 322.A NZ PHE 94.A O no hydrogen 3.124 N/A SER 323.A N ASP 319.A O no hydrogen 3.075 N/A LEU 324.A N GLU 320.A O no hydrogen 2.928 N/A THR 325.A N TRP 321.A O no hydrogen 2.954 N/A THR 325.A OG1 TRP 321.A O no hydrogen 2.770 N/A TYR 326.A N LYS 322.A O no hydrogen 2.880 N/A ASP 327.A N SER 323.A O no hydrogen 2.965 N/A GLU 328.A N LEU 324.A O no hydrogen 3.145 N/A VAL 329.A N THR 325.A O no hydrogen 3.023 N/A ILE 330.A N TYR 326.A O no hydrogen 3.085 N/A SER 331.A N ASP 327.A O no hydrogen 2.955 N/A SER 331.A OG ASP 327.A O no hydrogen 2.790 N/A SER 331.A OG GLU 328.A O no hydrogen 3.176 N/A PHE 332.A N VAL 329.A O no hydrogen 3.307 N/A