Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v76_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N ASP 143.A O no hydrogen 2.869 N/A GLN 1.A NE2 GLN 116.A OE1 no hydrogen 3.492 N/A ASP 2.A N ARG 23.A O no hydrogen 3.149 N/A VAL 4.A N SER 146.A O no hydrogen 3.041 N/A ILE 5.A N LEU 25.A O no hydrogen 2.881 N/A ILE 6.A N VAL 148.A O no hydrogen 2.620 N/A GLY 7.A N ILE 27.A O no hydrogen 2.929 N/A ALA 8.A N ASP 28.A OD1 no hydrogen 2.755 N/A ALA 14.A N GLY 12.A O no hydrogen 2.983 N/A ALA 17.A N CYS 13.A O no hydrogen 2.970 N/A GLY 18.A N ALA 14.A O no hydrogen 2.677 N/A LYS 19.A N ILE 15.A O no hydrogen 2.792 N/A LYS 19.A NZ GLU 16.A OE2 no hydrogen 3.042 N/A ARG 20.A N ALA 17.A O no hydrogen 3.249 N/A ARG 20.A NE GLY 377.A O no hydrogen 3.113 N/A ARG 20.A NH1 GLY 377.A O no hydrogen 3.099 N/A GLY 21.A N GLY 18.A O no hydrogen 3.137 N/A ARG 22.A NE VAL 380.A O no hydrogen 3.254 N/A ARG 23.A N ASP 2.A OD2 no hydrogen 3.325 N/A LEU 25.A N VAL 3.A O no hydrogen 2.944 N/A VAL 26.A N GLN 116.A O no hydrogen 2.575 N/A ILE 27.A N ILE 5.A O no hydrogen 2.988 N/A ASP 28.A N ARG 118.A O no hydrogen 2.917 N/A ALA 30.A N ASP 28.A OD2 no hydrogen 2.828 N/A GLY 34.A N ALA 8.A O no hydrogen 3.016 N/A LYS 36.A NZ SER 155.A O no hydrogen 2.846 N/A ARG 38.A N GLY 34.A O no hydrogen 2.903 N/A ARG 38.A NH1 GLU 35.A OE1 no hydrogen 3.011 N/A ILE 39.A N GLU 35.A O no hydrogen 3.289 N/A ILE 39.A N LYS 36.A O no hydrogen 3.140 N/A SER 40.A N ILE 37.A O no hydrogen 3.107 N/A SER 40.A OG ILE 37.A O no hydrogen 2.565 N/A GLY 43.A N SER 40.A O no hydrogen 2.724 N/A ARG 44.A N GLY 41.A O no hydrogen 2.793 N/A CYS 45.A N SER 40.A O no hydrogen 2.964 N/A CYS 45.A N GLY 41.A O no hydrogen 3.350 N/A CYS 45.A SG SER 40.A OG no hydrogen 3.468 N/A PHE 47.A N LEU 96.A O no hydrogen 2.976 N/A ASN 49.A ND2 LEU 93.A O no hydrogen 2.902 N/A ASN 49.A ND2 GLY 362.A O no hydrogen 2.808 N/A ILE 50.A N GLY 94.A O no hydrogen 2.850 N/A HIS 51.A N ASN 49.A OD1 no hydrogen 3.016 N/A ALA 52.A N ASN 49.A O no hydrogen 3.038 N/A SER 53.A OG HIS 51.A O no hydrogen 3.404 N/A ASN 56.A N SER 53.A O no hydrogen 2.794 N/A ASN 56.A ND2 HIS 51.A O no hydrogen 3.047 N/A ASN 56.A ND2 SER 53.A O no hydrogen 3.268 N/A PHE 57.A N PRO 54.A O no hydrogen 3.340 N/A LEU 58.A N THR 358.A O no hydrogen 2.656 N/A SER 59.A OG ASN 61.A O no hydrogen 3.293 N/A SER 59.A OG ASP 356.A O no hydrogen 2.763 N/A SER 59.A OG ASP 356.A OD2 no hydrogen 3.546 N/A GLY 60.A N ASP 356.A OD2 no hydrogen 2.942 N/A ASN 61.A N SER 59.A OG no hydrogen 3.112 N/A PHE 64.A N ASN 61.A O no hydrogen 3.025 N/A LYS 66.A N HIS 63.A O no hydrogen 3.330 N/A LEU 69.A N CYS 65.A O no hydrogen 3.054 N/A ALA 70.A N LYS 66.A O no hydrogen 3.208 N/A ARG 71.A N SER 67.A O no hydrogen 3.171 N/A ARG 71.A NH1 ARG 339.A O no hydrogen 2.878 N/A TYR 72.A N ALA 68.A O no hydrogen 2.930 N/A ARG 73.A N ASP 76.A OD2 no hydrogen 2.838 N/A ARG 73.A NH2 GLN 75.A OE1 no hydrogen 2.926 N/A ASP 76.A N ARG 73.A O no hydrogen 2.884 N/A PHE 77.A N ARG 73.A O no hydrogen 3.391 N/A VAL 78.A N PRO 74.A O no hydrogen 2.837 N/A ALA 79.A N GLN 75.A O no hydrogen 2.800 N/A LEU 80.A N ASP 76.A O no hydrogen 3.142 N/A VAL 81.A N PHE 77.A O no hydrogen 2.855 N/A GLU 82.A N VAL 78.A O no hydrogen 2.890 N/A ARG 83.A N ALA 79.A O no hydrogen 3.156 N/A HIS 84.A N VAL 81.A O no hydrogen 2.828 N/A HIS 84.A NE2 GLU 110.A OE1 no hydrogen 2.833 N/A GLY 85.A N GLU 82.A O no hydrogen 2.867 N/A ILE 86.A N VAL 81.A O no hydrogen 3.115 N/A TRP 88.A NE1 GLU 82.A OE2 no hydrogen 3.122 N/A HIS 89.A N PHE 97.A O no hydrogen 3.052 N/A HIS 89.A ND1 ASP 99.A OD2 no hydrogen 2.363 N/A LYS 91.A N GLN 95.A O no hydrogen 2.916 N/A LYS 91.A NZ HIS 89.A NE2 no hydrogen 2.668 N/A GLY 94.A N GLU 90.A OE2 no hydrogen 3.097 N/A GLN 95.A N THR 92.A O no hydrogen 2.990 N/A LEU 96.A N THR 48.A O no hydrogen 3.107 N/A PHE 97.A N HIS 89.A O no hydrogen 2.928 N/A CYS 98.A N CYS 45.A O no hydrogen 3.403 N/A ASP 99.A N GLY 87.A O no hydrogen 2.724 N/A SER 101.A N ASP 104.A OD2 no hydrogen 3.253 N/A ALA 102.A N GLY 43.A O no hydrogen 2.731 N/A LYS 103.A N SER 101.A OG no hydrogen 3.149 N/A ASP 104.A N SER 101.A O no hydrogen 2.882 N/A ILE 105.A N ALA 102.A O no hydrogen 2.902 N/A ILE 106.A N ALA 102.A O no hydrogen 3.392 N/A ARG 107.A N LYS 103.A O no hydrogen 2.891 N/A GLU 112.A N ALA 109.A O no hydrogen 3.041 N/A ALA 113.A N GLU 110.A O no hydrogen 2.933 N/A GLY 114.A N LYS 111.A O no hydrogen 3.292 N/A GLN 116.A N VAL 24.A O no hydrogen 2.874 N/A ARG 118.A N VAL 26.A O no hydrogen 2.689 N/A GLU 120.A N ALA 30.A O no hydrogen 2.759 N/A THR 121.A N ASP 28.A O no hydrogen 2.976 N/A THR 121.A OG1 LEU 119.A O no hydrogen 3.050 N/A SER 122.A N SER 138.A OG no hydrogen 3.210 N/A GLY 124.A N THR 136.A O no hydrogen 2.709 N/A GLU 127.A N ARG 134.A O no hydrogen 2.910 N/A THR 129.A N GLY 132.A O no hydrogen 3.024 N/A GLY 132.A N THR 129.A O no hydrogen 3.194 N/A PHE 133.A N ALA 144.A O no hydrogen 2.814 N/A ARG 134.A N GLU 127.A O no hydrogen 2.976 N/A ARG 134.A NH2 ASP 143.A OD2 no hydrogen 3.217 N/A VAL 135.A N VAL 142.A O no hydrogen 2.889 N/A THR 136.A N GLU 125.A O no hydrogen 2.779 N/A THR 137.A N GLY 140.A O no hydrogen 2.839 N/A THR 137.A OG1 GLY 140.A O no hydrogen 3.001 N/A SER 138.A N SER 122.A O no hydrogen 2.907 N/A ALA 139.A N THR 137.A OG1 no hydrogen 2.926 N/A GLY 140.A N THR 137.A O no hydrogen 2.894 N/A VAL 142.A N VAL 135.A O no hydrogen 2.952 N/A ALA 144.A N PHE 133.A O no hydrogen 2.840 N/A SER 146.A N ASP 2.A O no hydrogen 3.277 N/A SER 146.A OG VAL 380.A O no hydrogen 3.545 N/A LEU 147.A N GLY 347.A O no hydrogen 2.655 N/A VAL 148.A N VAL 4.A O no hydrogen 2.772 N/A VAL 149.A N TYR 349.A O no hydrogen 2.788 N/A ALA 150.A N ILE 6.A O no hydrogen 2.747 N/A LYS 154.A N THR 327.A OG1 no hydrogen 2.995 N/A LYS 154.A NZ THR 178.A OG1 no hydrogen 3.017 N/A SER 155.A OG ALA 324.A O no hydrogen 2.381 N/A ILE 156.A N TYR 321.A O no hydrogen 2.615 N/A LEU 163.A N THR 161.A OG1 no hydrogen 3.167 N/A ARG 166.A N GLY 162.A O no hydrogen 3.282 N/A ILE 167.A N LEU 163.A O no hydrogen 3.078 N/A ALA 168.A N ALA 164.A O no hydrogen 2.922 N/A GLU 169.A N TYR 165.A O no hydrogen 2.987 N/A GLN 170.A N ARG 166.A O no hydrogen 2.985 N/A GLN 170.A NE2 VAL 126.A O no hydrogen 2.871 N/A PHE 171.A N ILE 167.A O no hydrogen 3.108 N/A PHE 171.A N ALA 168.A O no hydrogen 2.957 N/A GLY 172.A N GLU 169.A O no hydrogen 2.792 N/A LEU 173.A N ALA 168.A O no hydrogen 2.885 N/A VAL 176.A N GLY 330.A O no hydrogen 2.676 N/A ARG 179.A N LEU 328.A O no hydrogen 3.044 N/A ARG 179.A NH1 GLU 239.A OE2 no hydrogen 2.676 N/A ARG 179.A NH2 GLU 239.A OE2 no hydrogen 2.613 N/A ALA 181.A N VAL 326.A O no hydrogen 2.864 N/A LEU 182.A N SER 235.A OG no hydrogen 3.280 N/A VAL 183.A N SER 234.A OG no hydrogen 3.020 N/A LEU 185.A N LEU 225.A O no hydrogen 2.938 N/A THR 186.A N GLY 317.A O no hydrogen 2.574 N/A LEU 187.A N ARG 223.A O no hydrogen 3.313 N/A ASP 188.A N GLN 191.A OE1 no hydrogen 2.737 N/A GLN 191.A N ASP 188.A OD1 no hydrogen 2.624 N/A GLN 191.A NE2 LYS 314.A O no hydrogen 2.618 N/A LEU 192.A N ASP 188.A O no hydrogen 2.774 N/A ALA 193.A N GLN 189.A O no hydrogen 2.860 N/A LYS 194.A N ALA 190.A O no hydrogen 2.949 N/A LEU 195.A N GLN 191.A O no hydrogen 2.968 N/A GLY 196.A N ALA 193.A O no hydrogen 3.035 N/A LEU 198.A N LEU 195.A O no hydrogen 3.073 N/A GLY 200.A N ILE 220.A O no hydrogen 2.679 N/A VAL 201.A N LEU 198.A O no hydrogen 3.030 N/A ALA 203.A N VAL 218.A O no hydrogen 3.053 N/A ALA 205.A N GLU 216.A O no hydrogen 3.070 N/A GLU 206.A N ARG 246.A O no hydrogen 2.775 N/A ALA 207.A N PHE 214.A O no hydrogen 2.800 N/A ARG 208.A N VAL 244.A O no hydrogen 2.945 N/A ARG 208.A NE GLU 206.A OE1 no hydrogen 3.090 N/A ARG 208.A NH1 GLY 210.A O no hydrogen 3.032 N/A PHE 209.A N ALA 212.A O no hydrogen 2.803 N/A ALA 212.A N PHE 209.A O no hydrogen 2.969 N/A PHE 214.A N ALA 207.A O no hydrogen 3.039 N/A ARG 215.A NE GLU 206.A OE2 no hydrogen 3.239 N/A ARG 215.A NH2 GLU 206.A OE2 no hydrogen 3.204 N/A GLU 216.A N ALA 205.A O no hydrogen 2.940 N/A VAL 218.A N ALA 203.A O no hydrogen 2.845 N/A LEU 219.A N SER 226.A O no hydrogen 2.673 N/A ILE 220.A N VAL 201.A O no hydrogen 3.253 N/A THR 221.A N GLY 224.A O no hydrogen 2.700 N/A THR 221.A OG1 GLY 224.A O no hydrogen 3.090 N/A GLY 224.A N THR 221.A OG1 no hydrogen 2.986 N/A LEU 225.A N LEU 185.A O no hydrogen 3.076 N/A SER 226.A N LEU 219.A O no hydrogen 2.978 N/A ALA 229.A N ALA 217.A O no hydrogen 3.239 N/A ILE 230.A N GLY 227.A O no hydrogen 3.113 N/A LEU 231.A N GLY 227.A O no hydrogen 3.288 N/A GLN 232.A N PRO 228.A O no hydrogen 2.915 N/A ILE 233.A N ALA 229.A O no hydrogen 3.221 N/A SER 234.A N ILE 230.A O no hydrogen 2.814 N/A SER 234.A OG VAL 183.A O no hydrogen 3.295 N/A SER 234.A OG LEU 231.A O no hydrogen 2.809 N/A SER 235.A N GLN 232.A O no hydrogen 3.331 N/A TYR 236.A N ILE 233.A O no hydrogen 2.792 N/A TRP 237.A N ILE 233.A O no hydrogen 2.881 N/A ARG 238.A NH2 SER 235.A O no hydrogen 3.213 N/A ARG 238.A NH2 TRP 237.A O no hydrogen 2.853 N/A GLU 241.A N ARG 238.A O no hydrogen 2.979 N/A ILE 243.A N VAL 313.A O no hydrogen 2.898 N/A VAL 244.A N ARG 208.A O no hydrogen 2.889 N/A LEU 245.A N TRP 311.A O no hydrogen 2.813 N/A ARG 246.A N GLU 206.A O no hydrogen 2.941 N/A ARG 246.A NH1 ILE 250.A O no hydrogen 2.650 N/A LEU 247.A N ILE 308.A O no hydrogen 3.235 N/A SER 254.A N ASP 251.A OD1 no hydrogen 3.249 N/A ILE 255.A N ASP 251.A O no hydrogen 3.078 N/A LEU 256.A N ILE 252.A O no hydrogen 2.817 N/A LYS 257.A N ALA 253.A O no hydrogen 3.079 N/A LYS 257.A NZ ASP 298.A OD1 no hydrogen 2.966 N/A LYS 257.A NZ ASP 302.A OD1 no hydrogen 2.972 N/A GLY 258.A N SER 254.A O no hydrogen 2.951 N/A ARG 259.A NH1 LEU 296.A O no hydrogen 2.846 N/A ARG 259.A NH2 ASP 298.A OD2 no hydrogen 3.109 N/A ARG 260.A N LYS 257.A O no hydrogen 3.206 N/A ARG 260.A NE GLY 258.A O no hydrogen 2.934 N/A ALA 261.A N GLY 258.A O no hydrogen 2.985 N/A VAL 267.A N ARG 292.A O no hydrogen 2.943 N/A GLN 268.A N GLN 268.A OE1 no hydrogen 2.799 N/A THR 269.A N ALA 266.A O no hydrogen 2.982 N/A ALA 270.A N ALA 266.A O no hydrogen 2.997 N/A LEU 271.A N VAL 267.A O no hydrogen 2.956 N/A ALA 272.A N GLN 268.A O no hydrogen 3.026 N/A ASP 273.A N ALA 270.A O no hydrogen 2.988 N/A ILE 274.A N LEU 271.A O no hydrogen 2.836 N/A LEU 275.A N LEU 271.A O no hydrogen 2.828 N/A ARG 277.A NE ARG 277.A O no hydrogen 3.288 N/A ARG 278.A NE ALA 197.A O no hydrogen 3.008 N/A ARG 278.A NH1 ALA 197.A O no hydrogen 2.984 N/A ARG 278.A NH1 ALA 199.A O no hydrogen 2.528 N/A ARG 278.A NH2 ALA 199.A O no hydrogen 2.958 N/A ALA 280.A N PRO 276.A O no hydrogen 3.106 N/A GLN 281.A N ARG 277.A O no hydrogen 2.987 N/A PHE 282.A N ARG 278.A O no hydrogen 2.947 N/A PHE 283.A N LEU 279.A O no hydrogen 2.871 N/A ALA 284.A N ALA 280.A O no hydrogen 3.106 N/A ASP 285.A N GLN 281.A O no hydrogen 3.091 N/A GLU 286.A N PHE 282.A O no hydrogen 3.065 N/A ALA 287.A N PHE 283.A O no hydrogen 3.354 N/A LYS 288.A N ASP 285.A O no hydrogen 2.678 N/A LEU 289.A N ALA 284.A O no hydrogen 2.834 N/A THR 290.A OG1 GLN 281.A OE1 no hydrogen 3.486 N/A THR 290.A OG1 ASP 285.A OD1 no hydrogen 2.642 N/A GLY 291.A N GLN 268.A OE1 no hydrogen 2.798 N/A ARG 292.A N LEU 289.A O no hydrogen 2.806 N/A LEU 296.A N LEU 293.A O no hydrogen 3.380 N/A SER 297.A OG THR 300.A OG1 no hydrogen 3.147 N/A THR 300.A N SER 297.A OG no hydrogen 3.034 N/A THR 300.A OG1 SER 297.A OG no hydrogen 3.147 N/A ILE 301.A N SER 297.A O no hydrogen 3.071 N/A ASP 302.A N ASP 298.A O no hydrogen 2.891 N/A ALA 303.A N LYS 299.A O no hydrogen 3.090 N/A LEU 304.A N THR 300.A O no hydrogen 2.928 N/A ALA 305.A N ILE 301.A O no hydrogen 2.791 N/A SER 306.A N ASP 302.A O no hydrogen 2.821 N/A SER 307.A N ALA 303.A O no hydrogen 2.911 N/A SER 307.A OG LEU 304.A O no hydrogen 2.609 N/A ILE 308.A N LEU 304.A O no hydrogen 3.306 N/A ILE 308.A N ALA 305.A O no hydrogen 2.839 N/A GLN 309.A N ALA 305.A O no hydrogen 2.755 N/A VAL 310.A N SER 306.A O no hydrogen 2.784 N/A TRP 311.A N LEU 245.A O no hydrogen 2.963 N/A VAL 313.A N ILE 243.A O no hydrogen 2.766 N/A ALA 316.A N THR 186.A O no hydrogen 2.636 N/A GLU 319.A N PRO 184.A O no hydrogen 3.094 N/A GLY 320.A N SER 318.A OG no hydrogen 2.848 N/A THR 323.A N GLY 320.A O no hydrogen 3.145 N/A THR 323.A OG1 GLU 319.A OE1 no hydrogen 3.369 N/A ALA 324.A N GLY 320.A O no hydrogen 3.114 N/A GLU 325.A N LEU 182.A O no hydrogen 3.092 N/A VAL 326.A N ALA 181.A O no hydrogen 3.229 N/A THR 327.A N GLU 353.A OE2 no hydrogen 2.885 N/A LEU 328.A N ARG 179.A O no hydrogen 2.921 N/A GLY 330.A N VAL 176.A O no hydrogen 2.903 N/A VAL 331.A N CYS 354.A O no hydrogen 2.973 N/A ASP 332.A N PRO 174.A O no hydrogen 3.057 N/A ARG 334.A N ASP 332.A OD1 no hydrogen 2.691 N/A ARG 334.A NH1 GLY 60.A O no hydrogen 3.129 N/A ARG 334.A NH2 GLY 60.A O no hydrogen 3.223 N/A ALA 335.A N ASP 332.A O no hydrogen 3.319 N/A LEU 336.A N THR 333.A O no hydrogen 2.862 N/A ASP 337.A N GLN 341.A O no hydrogen 2.804 N/A ARG 339.A N ASP 337.A OD1 no hydrogen 3.276 N/A THR 340.A N ASP 337.A O no hydrogen 2.892 N/A THR 340.A OG1 ARG 339.A O no hydrogen 3.142 N/A ALA 342.A N LEU 348.A O no hydrogen 2.743 N/A LYS 343.A N ALA 335.A O no hydrogen 2.836 N/A LYS 343.A NZ ARG 334.A O no hydrogen 3.126 N/A VAL 345.A N ALA 342.A O no hydrogen 3.280 N/A GLY 347.A N GLN 341.A OE1 no hydrogen 2.630 N/A LEU 348.A N VAL 345.A O no hydrogen 3.159 N/A TYR 349.A N LEU 147.A O no hydrogen 2.809 N/A TYR 349.A OH ASP 379.A OD2 no hydrogen 2.756 N/A VAL 351.A N VAL 149.A O no hydrogen 3.004 N/A GLY 352.A N SER 372.A OG no hydrogen 3.155 N/A CYS 354.A SG VAL 149.A O no hydrogen 3.754 N/A CYS 354.A SG VAL 351.A O no hydrogen 3.372 N/A VAL 355.A N GLY 352.A O no hydrogen 3.294 N/A ASP 356.A N VAL 331.A O no hydrogen 3.111 N/A THR 358.A N LEU 58.A O no hydrogen 2.748 N/A THR 358.A OG1 THR 327.A O no hydrogen 3.319 N/A GLY 359.A N ASN 365.A OD1 no hydrogen 2.591 N/A TRP 360.A N ASN 56.A O no hydrogen 2.958 N/A TRP 360.A NE1 TYR 236.A OH no hydrogen 3.058 N/A ASN 365.A ND2 GLY 359.A O no hydrogen 3.176 N/A GLN 367.A N GLY 363.A O no hydrogen 3.097 N/A GLN 367.A NE2 THR 48.A OG1 no hydrogen 2.512 N/A TRP 368.A N TYR 364.A O no hydrogen 3.021 N/A TRP 368.A NE1 GLY 352.A O no hydrogen 2.968 N/A ALA 369.A N ASN 365.A O no hydrogen 2.837 N/A TRP 370.A N PHE 366.A O no hydrogen 2.719 N/A TRP 370.A NE1 PHE 47.A O no hydrogen 2.748 N/A ALA 371.A N GLN 367.A O no hydrogen 2.807 N/A SER 372.A N TRP 368.A O no hydrogen 3.036 N/A SER 372.A OG TRP 368.A O no hydrogen 2.834 N/A SER 372.A OG ALA 369.A O no hydrogen 3.401 N/A GLY 373.A N ALA 369.A O no hydrogen 2.892 N/A PHE 374.A N TRP 370.A O no hydrogen 2.851 N/A VAL 375.A N ALA 371.A O no hydrogen 2.753 N/A ALA 376.A N SER 372.A O no hydrogen 3.099 N/A GLY 377.A N GLY 373.A O no hydrogen 2.956 N/A GLN 378.A N PHE 374.A O no hydrogen 3.206 N/A GLN 378.A N VAL 375.A O no hydrogen 3.371 N/A ASP 379.A N ALA 376.A O no hydrogen 3.153 N/A VAL 380.A N ALA 376.A O no hydrogen 2.833 N/A