Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9pai_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 GLU 81.A OE1 no hydrogen 3.068 N/A SER 6.A N HIS 3.A O no hydrogen 3.024 N/A TYR 7.A N HIS 3.A O no hydrogen 3.318 N/A TYR 7.A N PRO 4.A O no hydrogen 3.051 N/A VAL 8.A N PRO 4.A O no hydrogen 3.162 N/A ALA 9.A N PRO 5.A O no hydrogen 2.862 N/A HIS 10.A N SER 6.A O no hydrogen 3.374 N/A LEU 11.A N TYR 7.A O no hydrogen 3.274 N/A ALA 12.A N VAL 8.A O no hydrogen 3.014 N/A SER 13.A N ALA 9.A O no hydrogen 3.079 N/A SER 13.A OG ALA 9.A O no hydrogen 2.933 N/A ASP 14.A N HIS 10.A O no hydrogen 2.705 N/A PHE 15.A N LEU 11.A O no hydrogen 3.083 N/A GLY 16.A N ALA 12.A O no hydrogen 3.082 N/A VAL 17.A N SER 13.A O no hydrogen 2.614 N/A ARG 18.A N ASP 14.A O no hydrogen 2.991 N/A ARG 18.A N PHE 15.A O no hydrogen 2.961 N/A ARG 18.A NH2 ALA 61.A O no hydrogen 2.583 N/A VAL 19.A N PHE 15.A O no hydrogen 2.996 N/A VAL 19.A N GLY 16.A O no hydrogen 3.172 N/A PHE 20.A N GLY 16.A O no hydrogen 3.002 N/A GLN 22.A N VAL 19.A O no hydrogen 2.944 N/A VAL 23.A N VAL 19.A O no hydrogen 3.086 N/A ALA 24.A N PHE 20.A O no hydrogen 2.669 N/A GLN 25.A N GLN 21.A O no hydrogen 3.099 N/A ALA 26.A N VAL 23.A O no hydrogen 3.371 N/A SER 27.A N VAL 23.A O no hydrogen 2.934 N/A SER 27.A OG VAL 23.A O no hydrogen 3.304 N/A SER 35.A OG SER 337.A OG no hydrogen 3.100 N/A GLY 38.A N SER 35.A OG no hydrogen 3.317 N/A ALA 40.A N PRO 36.A O no hydrogen 3.465 N/A SER 41.A N TYR 37.A O no hydrogen 3.156 N/A SER 41.A OG TYR 37.A O no hydrogen 3.397 N/A LEU 43.A N VAL 39.A O no hydrogen 3.215 N/A ALA 44.A N ALA 40.A O no hydrogen 3.107 N/A MET 45.A N SER 41.A O no hydrogen 3.458 N/A LEU 46.A N VAL 42.A O no hydrogen 2.866 N/A GLN 47.A N LEU 43.A O no hydrogen 2.924 N/A GLN 47.A N ALA 44.A O no hydrogen 3.159 N/A GLN 47.A NE2 PHE 64.A O no hydrogen 3.272 N/A LEU 48.A N MET 45.A O no hydrogen 3.170 N/A THR 49.A OG1 LEU 46.A O no hydrogen 2.927 N/A THR 50.A N LEU 46.A O no hydrogen 3.106 N/A THR 50.A OG1 LEU 46.A O no hydrogen 3.107 N/A GLY 51.A N ASP 305.A O no hydrogen 2.961 N/A GLN 55.A N GLY 51.A O no hydrogen 3.136 N/A GLN 56.A N GLY 52.A O no hydrogen 3.265 N/A GLN 57.A N GLU 53.A O no hydrogen 3.002 N/A GLN 57.A N THR 54.A O no hydrogen 3.258 N/A GLN 57.A NE2 ASP 297.A OD1 no hydrogen 3.383 N/A ILE 58.A N THR 54.A O no hydrogen 3.435 N/A GLN 59.A N GLN 55.A O no hydrogen 3.168 N/A ALA 60.A N GLN 56.A O no hydrogen 2.914 N/A ALA 61.A N GLN 57.A O no hydrogen 2.845 N/A MET 62.A N ILE 58.A O no hydrogen 2.853 N/A GLY 63.A N GLN 59.A O no hydrogen 2.904 N/A ILE 66.A N GLN 47.A OE1 no hydrogen 2.798 N/A ALA 74.A N GLY 70.A O no hydrogen 3.288 N/A LEU 75.A N MET 71.A O no hydrogen 3.293 N/A ARG 76.A N ALA 72.A O no hydrogen 3.142 N/A ARG 76.A NE ALA 72.A O no hydrogen 3.445 N/A HIS 77.A N PRO 73.A O no hydrogen 3.125 N/A LEU 78.A N ALA 74.A O no hydrogen 3.151 N/A TYR 79.A N LEU 75.A O no hydrogen 3.216 N/A LYS 80.A N ARG 76.A O no hydrogen 3.257 N/A GLU 81.A N HIS 77.A O no hydrogen 2.901 N/A LEU 82.A N LEU 78.A O no hydrogen 3.092 N/A MET 83.A N TYR 79.A O no hydrogen 3.205 N/A ASN 87.A N GLY 84.A O no hydrogen 3.135 N/A ASN 87.A ND2 GLU 81.A O no hydrogen 2.850 N/A ASN 87.A ND2 GLY 84.A O no hydrogen 3.138 N/A LYS 88.A N PRO 85.A O no hydrogen 3.081 N/A ASP 89.A N ASN 87.A O no hydrogen 2.492 N/A SER 92.A N TYR 170.A O no hydrogen 2.977 N/A THR 93.A OG1 ASN 167.A OD1 no hydrogen 3.334 N/A THR 94.A N ALA 168.A O no hydrogen 3.199 N/A ALA 96.A N VAL 166.A O no hydrogen 2.948 N/A ILE 97.A N THR 120.A O no hydrogen 3.195 N/A PHE 98.A N VAL 164.A O no hydrogen 2.851 N/A VAL 99.A N LYS 122.A O no hydrogen 3.095 N/A GLN 100.A N ARG 162.A O no hydrogen 3.025 N/A GLN 100.A NE2 ASP 125.A OD1 no hydrogen 3.089 N/A ARG 101.A N VAL 124.A O no hydrogen 3.410 N/A LEU 103.A N GLN 100.A O no hydrogen 3.003 N/A LYS 104.A NZ ASP 102.A O no hydrogen 3.072 N/A VAL 106.A N LEU 309.A O no hydrogen 2.611 N/A HIS 112.A N GLY 108.A O no hydrogen 3.074 N/A PHE 113.A N PHE 109.A O no hydrogen 2.758 N/A PHE 114.A N MET 110.A O no hydrogen 3.155 N/A ARG 115.A N PRO 111.A O no hydrogen 2.852 N/A LEU 116.A N HIS 112.A O no hydrogen 3.122 N/A PHE 117.A N PHE 113.A O no hydrogen 3.073 N/A SER 119.A OG ASP 95.A O no hydrogen 3.346 N/A THR 120.A N ASP 95.A O no hydrogen 3.424 N/A LYS 122.A N ILE 97.A O no hydrogen 3.008 N/A VAL 124.A N VAL 99.A O no hydrogen 3.058 N/A SER 127.A N ASP 125.A OD1 no hydrogen 3.395 N/A SER 127.A OG ASP 125.A OD1 no hydrogen 2.806 N/A SER 127.A OG ASP 125.A OD2 no hydrogen 2.766 N/A GLU 128.A N ASP 125.A O no hydrogen 3.231 N/A ALA 132.A N GLU 128.A O no hydrogen 3.190 N/A ARG 133.A N VAL 129.A O no hydrogen 3.380 N/A ARG 133.A NE GLU 130.A OE1 no hydrogen 2.858 N/A ARG 133.A NH1 LEU 152.A O no hydrogen 2.751 N/A PHE 134.A N GLU 130.A O no hydrogen 3.272 N/A ILE 135.A N ARG 131.A O no hydrogen 3.093 N/A ILE 135.A N ALA 132.A O no hydrogen 2.899 N/A ILE 136.A N ALA 132.A O no hydrogen 3.228 N/A ASN 137.A N ARG 133.A O no hydrogen 2.783 N/A TRP 139.A N ILE 135.A O no hydrogen 3.256 N/A VAL 140.A N ILE 136.A O no hydrogen 2.909 N/A LYS 141.A N ASN 137.A O no hydrogen 3.109 N/A LYS 141.A NZ ASP 138.A OD1 no hydrogen 3.376 N/A THR 142.A N ASP 138.A O no hydrogen 3.239 N/A THR 142.A OG1 ASP 138.A O no hydrogen 3.507 N/A THR 142.A OG1 TRP 139.A O no hydrogen 3.092 N/A HIS 143.A N TRP 139.A O no hydrogen 3.224 N/A THR 144.A N VAL 140.A O no hydrogen 3.004 N/A THR 144.A OG1 VAL 140.A O no hydrogen 2.660 N/A THR 144.A OG1 LYS 141.A O no hydrogen 3.460 N/A THR 144.A OG1 MET 147.A O no hydrogen 2.585 N/A LYS 145.A N THR 142.A O no hydrogen 3.363 N/A LYS 145.A NZ GLU 90.A OE2 no hydrogen 2.774 N/A GLY 146.A N LYS 141.A O no hydrogen 2.762 N/A MET 147.A N THR 144.A O no hydrogen 3.310 N/A SER 149.A OG GLY 146.A O no hydrogen 3.337 N/A ALA 156.A N GLY 153.A O no hydrogen 3.049 N/A ASP 158.A N THR 161.A OG1 no hydrogen 2.651 N/A THR 161.A N ASP 158.A O no hydrogen 3.188 N/A THR 161.A OG1 ASP 158.A O no hydrogen 2.924 N/A THR 161.A OG1 ASP 158.A OD1 no hydrogen 2.804 N/A THR 161.A OG1 SER 344.A O no hydrogen 3.012 N/A ARG 162.A N VAL 343.A O no hydrogen 3.075 N/A ARG 162.A NE GLU 313.A OE2 no hydrogen 2.826 N/A ARG 162.A NH1 THR 161.A O no hydrogen 3.486 N/A ARG 162.A NH2 GLU 313.A OE2 no hydrogen 3.245 N/A LEU 163.A N VAL 343.A O no hydrogen 3.402 N/A VAL 164.A N PHE 98.A O no hydrogen 2.904 N/A LEU 165.A N VAL 341.A O no hydrogen 3.306 N/A VAL 166.A N ALA 96.A O no hydrogen 3.002 N/A ASN 167.A N THR 339.A O no hydrogen 2.684 N/A ALA 168.A N THR 94.A O no hydrogen 2.840 N/A LEU 169.A N SER 337.A O no hydrogen 2.846 N/A PHE 171.A N PRO 335.A O no hydrogen 3.056 N/A ASN 172.A N GLU 90.A O no hydrogen 2.871 N/A ASN 172.A ND2 TYR 170.A OH no hydrogen 3.252 N/A GLY 173.A N THR 333.A O no hydrogen 2.887 N/A GLN 174.A N ASP 89.A OD1 no hydrogen 2.954 N/A TRP 175.A N SER 331.A O no hydrogen 2.748 N/A TRP 175.A NE1 ASN 329.A O no hydrogen 2.961 N/A LYS 176.A N PRO 227.A O no hydrogen 3.099 N/A LYS 176.A NZ ASP 231.A OD1 no hydrogen 3.393 N/A LYS 176.A NZ ASP 231.A OD2 no hydrogen 2.790 N/A PHE 179.A N GLU 330.A O no hydrogen 2.893 N/A SER 183.A N PRO 180.A O no hydrogen 3.006 N/A THR 184.A N ASP 181.A O no hydrogen 2.851 N/A THR 184.A OG1 ASP 181.A O no hydrogen 3.002 N/A THR 184.A OG1 GLU 330.A OE2 no hydrogen 3.469 N/A HIS 185.A N MET 201.A O no hydrogen 3.115 N/A HIS 185.A ND1 SER 183.A O no hydrogen 2.685 N/A ARG 187.A N VAL 199.A O no hydrogen 3.129 N/A ARG 187.A NE HIS 185.A NE2 no hydrogen 2.810 N/A PHE 189.A N VAL 197.A O no hydrogen 2.825 N/A LYS 191.A N SER 195.A O no hydrogen 2.678 N/A LYS 191.A NZ SER 195.A OG no hydrogen 2.602 N/A SER 192.A OG ASP 29.A OD1 no hydrogen 3.014 N/A GLY 194.A N LYS 191.A O no hydrogen 2.936 N/A SER 195.A OG ASP 193.A OD1 no hydrogen 2.901 N/A SER 195.A OG ASP 193.A OD2 no hydrogen 3.525 N/A VAL 197.A N PHE 189.A O no hydrogen 3.034 N/A VAL 199.A N ARG 187.A O no hydrogen 2.934 N/A MET 201.A N HIS 185.A O no hydrogen 2.856 N/A MET 202.A N LEU 275.A O no hydrogen 2.576 N/A GLN 204.A N LEU 273.A O no hydrogen 2.681 N/A GLN 204.A NE2 THR 177.A O no hydrogen 2.700 N/A ASN 206.A N ARG 271.A O no hydrogen 2.960 N/A PHE 208.A N LEU 269.A O no hydrogen 2.825 N/A TYR 210.A N THR 267.A O no hydrogen 3.076 N/A TYR 210.A OH ASP 222.A OD1 no hydrogen 2.602 N/A THR 211.A N ILE 223.A O no hydrogen 3.045 N/A PHE 213.A N TYR 221.A O no hydrogen 2.972 N/A THR 215.A N HIS 219.A O no hydrogen 2.656 N/A THR 215.A OG1 HIS 219.A O no hydrogen 3.222 N/A GLY 218.A N THR 215.A O no hydrogen 2.655 N/A TYR 221.A N PHE 213.A O no hydrogen 2.852 N/A ASP 222.A N ALA 239.A O no hydrogen 2.677 N/A ILE 223.A N THR 211.A O no hydrogen 3.025 N/A LEU 224.A N ILE 237.A O no hydrogen 2.748 N/A GLU 225.A N ASN 209.A O no hydrogen 3.034 N/A LEU 226.A N MET 235.A O no hydrogen 3.017 N/A TYR 228.A N LEU 233.A O no hydrogen 3.008 N/A TYR 228.A OH THR 333.A OG1 no hydrogen 3.014 N/A HIS 229.A N GLN 174.A O no hydrogen 2.781 N/A GLY 230.A N ASP 89.A OD2 no hydrogen 2.985 N/A ASP 231.A N TYR 228.A O no hydrogen 2.833 N/A THR 232.A OG1 ASN 87.A OD1 no hydrogen 2.674 N/A SER 234.A OG GLU 225.A OE2 no hydrogen 2.652 N/A MET 235.A N LEU 226.A O no hydrogen 3.034 N/A ILE 237.A N LEU 224.A O no hydrogen 2.679 N/A ALA 239.A N ASP 222.A O no hydrogen 3.213 N/A TYR 241.A N TYR 220.A O no hydrogen 2.933 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.801 N/A LEU 250.A N LEU 247.A O no hydrogen 3.043 N/A THR 251.A N LEU 247.A O no hydrogen 3.023 N/A THR 251.A OG1 LEU 247.A O no hydrogen 3.479 N/A THR 251.A OG1 SER 248.A O no hydrogen 3.089 N/A ASN 252.A N SER 248.A O no hydrogen 2.973 N/A ILE 253.A N LEU 250.A O no hydrogen 3.258 N/A LEU 254.A N THR 251.A O no hydrogen 3.351 N/A LEU 258.A N SER 255.A OG no hydrogen 2.904 N/A ILE 259.A N SER 255.A O no hydrogen 3.314 N/A SER 260.A N ALA 256.A O no hydrogen 3.297 N/A HIS 261.A N GLN 257.A O no hydrogen 2.906 N/A TRP 262.A N LEU 258.A O no hydrogen 3.215 N/A LYS 263.A N ILE 259.A O no hydrogen 3.164 N/A GLY 264.A N SER 260.A O no hydrogen 2.894 N/A ASN 265.A N HIS 261.A O no hydrogen 3.087 N/A ASN 265.A N TRP 262.A O no hydrogen 2.791 N/A THR 267.A N TYR 210.A O no hydrogen 3.235 N/A LEU 269.A N PHE 208.A O no hydrogen 2.791 N/A ARG 271.A N ASN 206.A O no hydrogen 2.650 N/A LEU 273.A N GLN 204.A O no hydrogen 2.723 N/A LEU 275.A N MET 202.A O no hydrogen 2.622 N/A LYS 277.A N PRO 200.A O no hydrogen 3.315 N/A LYS 277.A NZ GLU 330.A OE1 no hydrogen 3.375 N/A LYS 277.A NZ GLU 330.A OE2 no hydrogen 2.968 N/A PHE 278.A N VAL 328.A O no hydrogen 3.193 N/A SER 279.A OG GLU 327.A OE1 no hydrogen 2.719 N/A THR 282.A N VAL 324.A O no hydrogen 3.228 N/A VAL 284.A N GLN 322.A O no hydrogen 2.929 N/A LEU 286.A N ALA 320.A O no hydrogen 3.009 N/A ARG 287.A N ASP 285.A OD1 no hydrogen 2.819 N/A LEU 290.A N LEU 286.A O no hydrogen 3.087 N/A GLU 291.A N ARG 287.A O no hydrogen 3.187 N/A ASN 292.A N LYS 288.A O no hydrogen 3.035 N/A ASN 292.A ND2 GLN 22.A OE1 no hydrogen 2.847 N/A LEU 293.A N LEU 290.A O no hydrogen 2.910 N/A GLY 294.A N GLU 291.A O no hydrogen 3.191 N/A THR 296.A N GLY 294.A O no hydrogen 2.923 N/A THR 296.A OG1 ASP 297.A OD1 no hydrogen 3.369 N/A PHE 299.A N THR 296.A O no hydrogen 3.103 N/A ARG 300.A N ASP 297.A O no hydrogen 3.000 N/A ALA 304.A N ARG 300.A O no hydrogen 3.026 N/A ASP 305.A N THR 54.A OG1 no hydrogen 2.774 N/A THR 307.A N ASP 305.A OD1 no hydrogen 2.823 N/A THR 307.A OG1 ASP 305.A OD1 no hydrogen 2.576 N/A THR 307.A OG1 ASP 305.A OD2 no hydrogen 3.560 N/A SER 308.A OG THR 50.A O no hydrogen 2.792 N/A LEU 309.A N PHE 306.A O no hydrogen 2.940 N/A SER 310.A N PHE 306.A O no hydrogen 3.411 N/A SER 310.A OG LYS 104.A O no hydrogen 2.882 N/A GLN 312.A N SER 310.A OG no hydrogen 3.420 N/A VAL 317.A N MET 298.A O no hydrogen 2.856 N/A GLN 319.A N ILE 342.A O no hydrogen 3.119 N/A LEU 321.A N ALA 340.A O no hydrogen 2.894 N/A GLN 322.A N VAL 284.A O no hydrogen 3.032 N/A GLN 322.A NE2 SER 35.A O no hydrogen 3.435 N/A LYS 323.A N SER 338.A O no hydrogen 3.370 N/A LYS 323.A NZ GLU 283.A OE2 no hydrogen 2.865 N/A VAL 324.A N THR 282.A O no hydrogen 2.875 N/A ILE 326.A N LEU 280.A O no hydrogen 3.153 N/A VAL 328.A N PHE 278.A O no hydrogen 2.805 N/A ASN 329.A N GLY 332.A O no hydrogen 3.266 N/A SER 331.A N ASN 329.A OD1 no hydrogen 2.813 N/A SER 331.A OG ASN 329.A OD1 no hydrogen 2.703 N/A GLY 332.A N ASN 329.A OD1 no hydrogen 3.303 N/A THR 333.A N GLY 173.A O no hydrogen 3.060 N/A THR 333.A OG1 TYR 228.A OH no hydrogen 3.014 N/A VAL 334.A N GLU 327.A O no hydrogen 3.150 N/A SER 336.A N LYS 325.A O no hydrogen 2.802 N/A SER 336.A OG LEU 169.A O no hydrogen 3.030 N/A SER 337.A N LEU 169.A O no hydrogen 3.163 N/A SER 338.A N LYS 323.A O no hydrogen 2.932 N/A SER 338.A OG ASN 167.A O no hydrogen 3.240 N/A ALA 340.A N LEU 321.A O no hydrogen 2.866 N/A VAL 341.A N LEU 165.A O no hydrogen 2.989 N/A ILE 342.A N GLN 319.A O no hydrogen 2.708 N/A VAL 343.A N LEU 163.A O no hydrogen 2.917 N/A