Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2cav_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N ASN 2.A OD1 no hydrogen 2.915 N/A LEU 5.A N ASN 2.A O no hydrogen 3.440 N/A PHE 6.A N ILE 269.A O no hydrogen 2.688 N/A ARG 7.A NH1 THR 263.A O no hydrogen 3.337 N/A ARG 7.A NH2 THR 263.A O no hydrogen 3.121 N/A SER 8.A N ASP 268.A OD1 no hydrogen 2.996 N/A SER 8.A OG ASP 268.A OD1 no hydrogen 3.347 N/A LYS 10.A N ARG 7.A O no hydrogen 2.631 N/A LYS 10.A NZ ASN 9.A OD1 no hydrogen 3.478 N/A PHE 11.A N SER 8.A O no hydrogen 3.302 N/A LEU 12.A N LEU 24.A O no hydrogen 2.730 N/A LEU 14.A N LEU 22.A O no hydrogen 2.631 N/A PHE 15.A N LEU 22.A O no hydrogen 3.172 N/A ASN 17.A N GLY 20.A O no hydrogen 3.012 N/A ASN 17.A ND2 ILE 174.A O no hydrogen 2.859 N/A GLN 18.A N GLN 18.A OE1 no hydrogen 2.657 N/A HIS 19.A N ASN 17.A OD1 no hydrogen 2.396 N/A GLY 20.A N ASN 17.A O no hydrogen 3.237 N/A GLY 20.A N ASN 17.A OD1 no hydrogen 3.222 N/A SER 21.A N CYS 47.A O no hydrogen 2.690 N/A LEU 22.A N PHE 15.A O no hydrogen 2.717 N/A ARG 23.A N GLU 45.A O no hydrogen 2.988 N/A ARG 23.A NE GLU 45.A OE2 no hydrogen 3.308 N/A ARG 23.A NH1 SER 8.A O no hydrogen 3.188 N/A ARG 23.A NH2 GLU 45.A OE1 no hydrogen 3.074 N/A LEU 24.A N LEU 12.A O no hydrogen 2.657 N/A LEU 25.A N VAL 43.A O no hydrogen 2.801 N/A GLN 26.A N LYS 10.A O no hydrogen 3.415 N/A GLN 26.A NE2 ARG 27.A O no hydrogen 3.376 N/A GLN 26.A NE2 ASP 31.A OD1 no hydrogen 3.203 N/A ARG 27.A NH2 THR 126.A OG1 no hydrogen 2.983 N/A ASN 29.A ND2 GLU 36.A OE2 no hydrogen 3.324 N/A GLU 30.A N ARG 27.A O no hydrogen 2.818 N/A THR 32.A OG1 GLU 33.A OE1 no hydrogen 3.557 N/A LYS 34.A N THR 32.A OG1 no hydrogen 3.027 N/A ASN 37.A ND2 THR 238.A OG1 no hydrogen 3.223 N/A LEU 38.A N LEU 35.A O no hydrogen 2.807 N/A ARG 39.A N GLU 36.A O no hydrogen 3.252 N/A TYR 41.A N LEU 38.A O no hydrogen 3.010 N/A ARG 42.A N ALA 118.A O no hydrogen 2.859 N/A ARG 42.A NE LEU 25.A O no hydrogen 3.435 N/A ARG 42.A NH1 GLY 125.A O no hydrogen 2.743 N/A ARG 42.A NH2 LEU 25.A O no hydrogen 2.919 N/A LEU 44.A N LYS 116.A O no hydrogen 2.719 N/A GLU 45.A N ARG 23.A O no hydrogen 2.924 N/A TYR 46.A N ILE 114.A O no hydrogen 2.862 N/A CYS 47.A N SER 21.A O no hydrogen 3.029 N/A CYS 47.A SG LEU 112.A O no hydrogen 3.504 N/A SER 48.A N LEU 112.A O no hydrogen 2.868 N/A SER 48.A OG LYS 49.A O no hydrogen 3.556 N/A SER 48.A OG THR 52.A OG1 no hydrogen 2.985 N/A LYS 49.A N HIS 19.A O no hydrogen 2.784 N/A THR 52.A OG1 SER 48.A OG no hydrogen 2.985 N/A THR 52.A OG1 LYS 49.A O no hydrogen 2.647 N/A LEU 53.A N VAL 175.A O no hydrogen 2.707 N/A LEU 54.A N LEU 103.A O no hydrogen 2.792 N/A LEU 55.A N VAL 173.A O no hydrogen 2.861 N/A HIS 57.A N PHE 101.A O no hydrogen 3.185 N/A HIS 57.A ND1 LEU 55.A O no hydrogen 2.950 N/A HIS 58.A N PHE 130.A O no hydrogen 3.133 N/A SER 59.A OG GLU 128.A O no hydrogen 3.240 N/A ASP 60.A N GLU 128.A O no hydrogen 2.943 N/A SER 61.A N SER 59.A OG no hydrogen 3.126 N/A SER 61.A OG ASP 60.A OD1 no hydrogen 2.881 N/A ASP 62.A N ILE 119.A O no hydrogen 3.250 N/A LEU 63.A N ILE 95.A O no hydrogen 2.975 N/A LEU 64.A N PHE 117.A O no hydrogen 2.831 N/A VAL 65.A N ILE 93.A O no hydrogen 2.763 N/A LEU 66.A N LEU 115.A O no hydrogen 2.754 N/A VAL 67.A N ASP 91.A O no hydrogen 2.855 N/A LEU 68.A N ARG 113.A O no hydrogen 2.830 N/A GLU 69.A N ARG 113.A O no hydrogen 3.153 N/A ALA 72.A N LEU 87.A O no hydrogen 2.820 N/A ILE 73.A N ILE 104.A O no hydrogen 2.804 N/A LEU 74.A N TYR 85.A O no hydrogen 2.752 N/A VAL 75.A N TYR 102.A O no hydrogen 3.033 N/A LEU 76.A N ASP 83.A O no hydrogen 2.695 N/A VAL 77.A N PRO 100.A O no hydrogen 2.953 N/A ASN 78.A N GLY 81.A O no hydrogen 2.979 N/A ASN 78.A ND2 ASP 80.A OD1 no hydrogen 3.239 N/A GLY 81.A N ASN 78.A O no hydrogen 3.446 N/A ASP 83.A N LEU 76.A O no hydrogen 2.828 N/A TYR 85.A N LEU 74.A O no hydrogen 2.751 N/A LEU 87.A N ALA 72.A O no hydrogen 2.697 N/A ASP 88.A N ASP 91.A OD2 no hydrogen 2.797 N/A GLN 89.A NE2 LEU 68.A O no hydrogen 3.024 N/A GLY 90.A N VAL 67.A O no hydrogen 2.618 N/A ASP 91.A N ASP 88.A O no hydrogen 2.895 N/A ALA 92.A N PHE 184.A O no hydrogen 2.772 N/A ILE 93.A N VAL 65.A O no hydrogen 2.949 N/A LYS 94.A N GLN 210.A OE1 no hydrogen 2.969 N/A ILE 95.A N LEU 63.A O no hydrogen 2.696 N/A ALA 97.A N ASP 62.A OD1 no hydrogen 2.744 N/A GLY 98.A N SER 59.A O no hydrogen 2.759 N/A THR 99.A N GLN 96.A O no hydrogen 3.183 N/A THR 99.A OG1 GLN 96.A O no hydrogen 3.245 N/A PHE 101.A N HIS 57.A O no hydrogen 2.877 N/A TYR 102.A N VAL 75.A O no hydrogen 3.318 N/A LEU 103.A N LEU 54.A O no hydrogen 3.373 N/A ILE 104.A N ILE 73.A O no hydrogen 2.840 N/A ASN 105.A N THR 52.A O no hydrogen 2.983 N/A ASN 105.A ND2 SER 48.A O no hydrogen 2.827 N/A ASN 105.A ND2 GLN 110.A O no hydrogen 3.332 N/A ASN 108.A ND2 ASN 51.A OD1 no hydrogen 2.874 N/A ASN 109.A N ASP 107.A OD1 no hydrogen 2.251 N/A GLN 110.A N ASP 107.A OD1 no hydrogen 2.885 N/A LEU 112.A N SER 48.A O no hydrogen 2.815 N/A ARG 113.A N GLU 69.A O no hydrogen 3.028 N/A ARG 113.A NH1 GLU 69.A OE1 no hydrogen 2.612 N/A ARG 113.A NH2 ASN 244.A OD1 no hydrogen 2.305 N/A ILE 114.A N TYR 46.A O no hydrogen 2.723 N/A LEU 115.A N LEU 66.A O no hydrogen 2.881 N/A LYS 116.A N LEU 44.A O no hydrogen 2.704 N/A PHE 117.A N LEU 64.A O no hydrogen 2.639 N/A ALA 118.A N ARG 42.A O no hydrogen 2.579 N/A ILE 119.A N ASP 62.A O no hydrogen 2.926 N/A THR 120.A N ASP 40.A O no hydrogen 2.941 N/A THR 120.A OG1 ASP 40.A O no hydrogen 2.737 N/A ARG 122.A NE ASP 60.A OD2 no hydrogen 2.960 N/A ARG 122.A NH2 ASP 60.A OD2 no hydrogen 2.672 N/A GLY 125.A N THR 120.A OG1 no hydrogen 2.693 N/A THR 126.A N ARG 123.A O no hydrogen 2.894 N/A GLU 128.A N ASP 60.A OD1 no hydrogen 2.976 N/A PHE 130.A N HIS 58.A O no hydrogen 2.725 N/A LEU 132.A N PRO 56.A O no hydrogen 3.395 N/A SER 134.A OG LEU 166.A O no hydrogen 2.668 N/A THR 135.A N LEU 138.A O no hydrogen 2.947 N/A LYS 136.A N GLU 171.A O no hydrogen 3.396 N/A SER 140.A OG LEU 132.A O no hydrogen 2.448 N/A LEU 142.A N SER 140.A OG no hydrogen 3.049 N/A SER 143.A N SER 140.A O no hydrogen 2.900 N/A SER 143.A OG SER 140.A O no hydrogen 2.470 N/A ALA 144.A N TYR 141.A O no hydrogen 3.022 N/A PHE 145.A N LEU 142.A O no hydrogen 3.378 N/A LYS 147.A NZ GLU 151.A OE1 no hydrogen 2.781 N/A LYS 147.A NZ GLU 151.A OE2 no hydrogen 3.544 N/A PHE 149.A N SER 146.A OG no hydrogen 3.084 N/A LEU 150.A N SER 146.A O no hydrogen 2.643 N/A GLU 151.A N LYS 147.A O no hydrogen 2.485 N/A ALA 152.A N ASN 148.A O no hydrogen 2.892 N/A SER 153.A N PHE 149.A O no hydrogen 3.040 N/A SER 153.A OG PHE 149.A O no hydrogen 2.547 N/A TYR 154.A N LEU 150.A O no hydrogen 3.031 N/A ASP 155.A N GLU 151.A O no hydrogen 2.705 N/A SER 156.A N GLU 151.A O no hydrogen 3.372 N/A SER 156.A OG TYR 154.A O no hydrogen 3.289 N/A TYR 158.A N GLU 151.A OE2 no hydrogen 2.501 N/A ILE 161.A N PRO 157.A O no hydrogen 3.482 N/A GLU 162.A N TYR 158.A O no hydrogen 2.904 N/A THR 164.A N GLU 160.A O no hydrogen 2.920 N/A THR 164.A OG1 GLU 160.A O no hydrogen 2.553 N/A LEU 165.A N ILE 161.A O no hydrogen 2.892 N/A VAL 175.A N LEU 53.A O no hydrogen 2.803 N/A LYS 176.A NZ HIS 19.A NE2 no hydrogen 3.505 N/A MET 177.A N ASN 51.A O no hydrogen 2.637 N/A PHE 184.A N ALA 92.A O no hydrogen 3.009 N/A ASN 185.A ND2 GLN 89.A O no hydrogen 3.227 N/A ASN 185.A ND2 ASP 91.A OD1 no hydrogen 2.859 N/A LEU 186.A N GLY 90.A O no hydrogen 3.028 N/A ARG 187.A N ASN 185.A OD1 no hydrogen 2.995 N/A SER 188.A N ASN 185.A O no hydrogen 3.348 N/A SER 188.A OG ASN 185.A O no hydrogen 2.575 N/A ILE 192.A N LEU 200.A O no hydrogen 2.744 N/A TYR 193.A N LEU 200.A O no hydrogen 3.518 N/A ASN 195.A N GLY 198.A O no hydrogen 2.986 N/A ASN 195.A ND2 PHE 342.A O no hydrogen 3.041 N/A TYR 197.A N ASN 195.A OD1 no hydrogen 2.616 N/A TYR 197.A OH ASP 344.A OD2 no hydrogen 2.866 N/A GLY 198.A N ASN 195.A OD1 no hydrogen 2.982 N/A LYS 199.A N GLN 222.A O no hydrogen 2.990 N/A LYS 199.A NZ SER 194.A OG no hydrogen 3.397 N/A LEU 200.A N TYR 193.A O no hydrogen 2.893 N/A TYR 201.A N CYS 220.A O no hydrogen 2.978 N/A ILE 203.A N LEU 218.A O no hydrogen 2.704 N/A THR 204.A OG1 GLU 206.A OE1 no hydrogen 2.943 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.690 N/A LYS 207.A N THR 204.A O no hydrogen 2.868 N/A ASN 208.A N THR 204.A O no hydrogen 3.298 N/A GLN 210.A NE2 LYS 182.A O no hydrogen 2.912 N/A LEU 211.A N ASN 208.A OD1 no hydrogen 3.194 N/A ARG 212.A N ASN 208.A O no hydrogen 2.855 N/A ARG 212.A NH1 GLU 296.A OE2 no hydrogen 3.201 N/A LEU 214.A N LEU 211.A O no hydrogen 2.991 N/A ASP 215.A N LEU 211.A O no hydrogen 2.877 N/A ILE 216.A N LEU 211.A O no hydrogen 3.425 N/A LEU 217.A N GLY 292.A O no hydrogen 2.762 N/A LEU 218.A N ILE 203.A O no hydrogen 2.738 N/A ASN 219.A N GLY 290.A O no hydrogen 2.894 N/A ASN 219.A ND2 GLU 202.A OE1 no hydrogen 3.384 N/A CYS 220.A N TYR 201.A O no hydrogen 2.958 N/A LEU 221.A N MET 288.A O no hydrogen 2.779 N/A GLN 222.A N LYS 199.A O no hydrogen 3.067 N/A MET 223.A N LEU 286.A O no hydrogen 2.843 N/A ASN 224.A N TYR 197.A O no hydrogen 3.144 N/A ASN 224.A ND2 ASN 196.A O no hydrogen 3.083 N/A GLU 225.A N ASP 285.A OD1 no hydrogen 3.479 N/A GLY 226.A N ALA 282.A O no hydrogen 2.645 N/A ALA 227.A N ASN 224.A O no hydrogen 2.777 N/A LEU 228.A N VAL 343.A O no hydrogen 2.713 N/A PHE 229.A N LEU 280.A O no hydrogen 2.774 N/A VAL 230.A N TYR 341.A O no hydrogen 3.010 N/A HIS 232.A N VAL 278.A O no hydrogen 2.922 N/A HIS 232.A ND1 VAL 230.A O no hydrogen 2.933 N/A TYR 233.A N ASN 301.A O no hydrogen 3.053 N/A SER 235.A N GLU 299.A O no hydrogen 2.780 N/A SER 235.A OG GLU 299.A O no hydrogen 3.373 N/A ARG 236.A N ASN 298.A OD1 no hydrogen 2.991 N/A ALA 237.A N ASN 298.A OD1 no hydrogen 2.972 N/A THR 238.A N VAL 293.A O no hydrogen 3.111 N/A VAL 239.A N ILE 272.A O no hydrogen 2.777 N/A ILE 240.A N ILE 291.A O no hydrogen 2.723 N/A LEU 241.A N ILE 270.A O no hydrogen 2.611 N/A VAL 242.A N VAL 289.A O no hydrogen 2.719 N/A ALA 243.A N ASP 268.A O no hydrogen 2.885 N/A ASN 244.A N ASN 287.A O no hydrogen 3.001 N/A ASN 244.A ND2 LEU 68.A O no hydrogen 3.411 N/A ASN 244.A ND2 ASN 287.A OD1 no hydrogen 2.699 N/A GLU 245.A N ASN 287.A O no hydrogen 3.052 N/A GLY 246.A N GLU 266.A OE2 no hydrogen 2.759 N/A ALA 248.A N LEU 264.A O no hydrogen 3.054 N/A GLU 249.A N LYS 281.A O no hydrogen 2.573 N/A VAL 250.A N ALA 262.A O no hydrogen 2.896 N/A GLU 251.A N ALA 279.A O no hydrogen 2.734 N/A LEU 252.A N TYR 260.A O no hydrogen 2.773 N/A VAL 253.A N PRO 277.A O no hydrogen 2.857 N/A GLY 254.A N ARG 258.A O no hydrogen 3.022 N/A ARG 258.A N GLY 254.A O no hydrogen 2.812 N/A ARG 258.A NH2 ASN 1.A O no hydrogen 2.718 N/A TYR 260.A N LEU 252.A O no hydrogen 2.912 N/A ALA 262.A N VAL 250.A O no hydrogen 3.017 N/A LEU 264.A N ALA 248.A O no hydrogen 2.674 N/A SER 265.A N ASP 268.A OD2 no hydrogen 2.805 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 3.183 N/A GLY 267.A N ALA 243.A O no hydrogen 2.701 N/A ASP 268.A N SER 265.A O no hydrogen 2.726 N/A ILE 269.A N PHE 6.A O no hydrogen 2.893 N/A ILE 270.A N LEU 241.A O no hydrogen 2.829 N/A VAL 271.A N TYR 4.A O no hydrogen 2.840 N/A ILE 272.A N VAL 239.A O no hydrogen 2.631 N/A SER 274.A N THR 238.A OG1 no hydrogen 3.323 N/A SER 275.A N ASN 234.A O no hydrogen 2.569 N/A PHE 276.A N PRO 273.A O no hydrogen 3.276 N/A VAL 278.A N HIS 232.A O no hydrogen 2.563 N/A ALA 279.A N GLU 251.A O no hydrogen 2.918 N/A LEU 280.A N PHE 229.A O no hydrogen 3.156 N/A LYS 281.A N GLU 249.A O no hydrogen 2.512 N/A LYS 281.A NZ GLY 345.A O no hydrogen 2.960 N/A ALA 282.A N ALA 227.A O no hydrogen 3.048 N/A ALA 283.A N ARG 247.A O no hydrogen 3.049 N/A SER 284.A OG ASP 285.A O no hydrogen 2.984 N/A LEU 286.A N MET 223.A O no hydrogen 2.836 N/A ASN 287.A N GLU 245.A O no hydrogen 2.782 N/A ASN 287.A ND2 LEU 221.A O no hydrogen 3.215 N/A MET 288.A N LEU 221.A O no hydrogen 2.671 N/A VAL 289.A N VAL 242.A O no hydrogen 2.874 N/A GLY 290.A N ASN 219.A O no hydrogen 2.667 N/A ILE 291.A N ILE 240.A O no hydrogen 2.993 N/A GLY 292.A N LEU 217.A O no hydrogen 2.774 N/A VAL 293.A N THR 238.A O no hydrogen 2.948 N/A ALA 295.A N ASP 215.A O no hydrogen 3.110 N/A GLU 296.A N ASP 215.A OD1 no hydrogen 2.832 N/A ASN 297.A N GLU 206.A OE2 no hydrogen 2.752 N/A ASN 297.A ND2 ASN 297.A O no hydrogen 3.011 N/A ASN 298.A N ALA 295.A O no hydrogen 2.959 N/A ASN 298.A ND2 ASN 234.A OD1 no hydrogen 3.048 N/A GLU 299.A N SER 235.A OG no hydrogen 2.780 N/A ARG 300.A NH1 GLU 202.A OE2 no hydrogen 3.352 N/A ARG 300.A NH2 GLU 202.A OE1 no hydrogen 2.793 N/A ASN 301.A N TYR 233.A O no hydrogen 2.904 N/A PHE 302.A N GLU 308.A O no hydrogen 3.155 N/A LEU 303.A N PRO 231.A O no hydrogen 2.845 N/A HIS 306.A N GLU 339.A O no hydrogen 3.044 N/A LYS 307.A N SER 340.A OG no hydrogen 3.075 N/A ASN 309.A ND2 GLY 305.A O no hydrogen 3.242 N/A VAL 310.A N PHE 302.A O no hydrogen 2.814 N/A ARG 312.A N ASN 309.A OD1 no hydrogen 3.284 N/A GLN 313.A N VAL 310.A O no hydrogen 2.794 N/A GLN 313.A NE2 ASN 309.A O no hydrogen 3.385 N/A ARG 316.A NH1 GLU 328.A OE1 no hydrogen 2.677 N/A SER 319.A N PRO 315.A O no hydrogen 2.777 N/A SER 319.A OG ILE 314.A O no hydrogen 3.269 N/A SER 319.A OG PRO 315.A O no hydrogen 3.075 N/A ASP 320.A N ARG 316.A O no hydrogen 2.832 N/A LEU 321.A N GLN 317.A O no hydrogen 3.085 N/A THR 322.A N VAL 318.A O no hydrogen 2.575 N/A THR 322.A OG1 VAL 318.A O no hydrogen 2.879 N/A PHE 323.A N SER 319.A O no hydrogen 2.681 N/A SER 326.A N GLU 329.A OE1 no hydrogen 3.442 N/A GLY 327.A N ASP 320.A OD2 no hydrogen 2.931 N/A GLU 329.A N SER 326.A OG no hydrogen 3.036 N/A VAL 330.A N SER 326.A O no hydrogen 2.998 N/A GLU 331.A N GLY 327.A O no hydrogen 2.975 N/A GLU 332.A N GLU 328.A O no hydrogen 3.079 N/A LEU 333.A N GLU 329.A O no hydrogen 3.103 N/A LEU 334.A N VAL 330.A O no hydrogen 3.056 N/A GLU 335.A N GLU 332.A O no hydrogen 2.452 N/A ASN 336.A N GLU 332.A O no hydrogen 3.268 N/A ASN 336.A N LEU 333.A O no hydrogen 3.012 N/A LYS 338.A NZ ASN 336.A O no hydrogen 3.041 N/A GLU 339.A N GLN 337.A OE1 no hydrogen 2.557 N/A SER 340.A N GLU 339.A OE2 no hydrogen 2.960 N/A TYR 341.A OH GLU 308.A OE2 no hydrogen 2.763 N/A PHE 342.A N SER 340.A O no hydrogen 2.811 N/A VAL 343.A N LEU 228.A O no hydrogen 2.837 N/A GLN 346.A N ASP 344.A OD1 no hydrogen 2.794 N/A