Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1oph_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLU 79.A OE2 no hydrogen 2.516 N/A LYS 6.A N THR 3.A O no hydrogen 2.943 N/A LYS 6.A NZ HIS 1.A O no hydrogen 2.883 N/A LYS 6.A NZ GLU 79.A OE1 no hydrogen 2.661 N/A LYS 6.A NZ GLU 79.A OE2 no hydrogen 2.998 N/A ILE 7.A N THR 3.A O no hydrogen 3.313 N/A THR 8.A N PHE 4.A O no hydrogen 3.141 N/A THR 8.A OG1 THR 360.A O no hydrogen 2.723 N/A ASN 10.A ND2 ASN 62.A O no hydrogen 3.191 N/A LEU 11.A N ILE 7.A O no hydrogen 2.801 N/A ALA 12.A N THR 8.A O no hydrogen 2.874 N/A GLU 13.A N PRO 9.A O no hydrogen 3.256 N/A PHE 14.A N ASN 10.A O no hydrogen 2.918 N/A ALA 15.A N LEU 11.A O no hydrogen 2.687 N/A PHE 16.A N ALA 12.A O no hydrogen 2.980 N/A SER 17.A N GLU 13.A O no hydrogen 2.974 N/A SER 17.A OG GLU 13.A O no hydrogen 2.966 N/A LEU 18.A N PHE 14.A O no hydrogen 2.980 N/A TYR 19.A N ALA 15.A O no hydrogen 2.928 N/A TYR 19.A OH GLU 245.A OE2 no hydrogen 2.506 N/A ARG 20.A N PHE 16.A O no hydrogen 2.905 N/A ARG 20.A NE GLU 245.A O no hydrogen 2.800 N/A ARG 20.A NH2 GLU 245.A O no hydrogen 2.878 N/A ARG 20.A NH2 LEU 248.A O no hydrogen 2.917 N/A GLN 21.A N SER 17.A O no hydrogen 3.096 N/A GLN 21.A NE2 VAL 283.A O no hydrogen 2.967 N/A LEU 22.A N LEU 18.A O no hydrogen 3.225 N/A ALA 23.A N TYR 19.A O no hydrogen 2.802 N/A HIS 24.A N ARG 20.A O no hydrogen 2.897 N/A GLN 25.A N LEU 22.A O no hydrogen 3.312 N/A SER 28.A N SER 26.A OG no hydrogen 3.046 N/A SER 28.A OG SER 26.A OG no hydrogen 3.411 N/A ASN 30.A ND2 ASN 371.A O no hydrogen 3.072 N/A ILE 31.A N ARG 368.A O no hydrogen 2.962 N/A LEU 32.A N TYR 278.A OH no hydrogen 3.092 N/A PHE 33.A N MET 366.A O no hydrogen 3.165 N/A SER 34.A N HIS 315.A NE2 no hydrogen 3.141 N/A SER 34.A OG LEU 364.A O no hydrogen 2.640 N/A SER 37.A N SER 34.A OG no hydrogen 3.005 N/A SER 37.A OG THR 95.A OG1 no hydrogen 3.353 N/A SER 37.A OG ASN 167.A OD1 no hydrogen 2.507 N/A ILE 38.A N SER 34.A O no hydrogen 2.977 N/A ALA 39.A N PRO 35.A O no hydrogen 2.906 N/A ALA 40.A N VAL 36.A O no hydrogen 2.837 N/A ALA 41.A N SER 37.A O no hydrogen 3.274 N/A PHE 42.A N ILE 38.A O no hydrogen 3.268 N/A ALA 43.A N ALA 39.A O no hydrogen 2.882 N/A ALA 43.A N ALA 40.A O no hydrogen 3.157 N/A MET 44.A N ALA 40.A O no hydrogen 2.875 N/A LEU 45.A N ALA 41.A O no hydrogen 3.161 N/A SER 46.A N PHE 42.A O no hydrogen 3.027 N/A SER 46.A OG ALA 43.A O no hydrogen 2.525 N/A LEU 47.A N MET 44.A O no hydrogen 3.063 N/A GLY 48.A N LEU 45.A O no hydrogen 2.945 N/A ALA 49.A N SER 46.A O no hydrogen 3.036 N/A LYS 50.A N ASP 298.A O no hydrogen 3.252 N/A HIS 54.A N LYS 50.A O no hydrogen 3.300 N/A ASP 55.A N GLY 51.A O no hydrogen 3.221 N/A GLU 56.A N ASP 52.A O no hydrogen 2.737 N/A ILE 57.A N THR 53.A O no hydrogen 3.404 N/A ILE 57.A N HIS 54.A O no hydrogen 3.241 N/A LEU 58.A N HIS 54.A O no hydrogen 3.397 N/A GLU 59.A N ASP 55.A O no hydrogen 2.876 N/A GLY 60.A N ILE 57.A O no hydrogen 2.834 N/A LEU 61.A N LEU 58.A O no hydrogen 3.097 N/A ASN 62.A N GLU 59.A O no hydrogen 3.367 N/A PHE 63.A N LEU 58.A O no hydrogen 3.113 N/A THR 66.A N ASN 64.A OD1 no hydrogen 2.792 N/A THR 66.A OG1 ASN 64.A OD1 no hydrogen 2.589 N/A GLU 67.A N ASN 64.A O no hydrogen 3.079 N/A ILE 68.A N ASN 64.A O no hydrogen 3.349 N/A GLN 72.A N PRO 69.A O no hydrogen 2.837 N/A ILE 73.A N PRO 69.A O no hydrogen 3.412 N/A HIS 74.A N GLU 70.A O no hydrogen 3.167 N/A HIS 74.A ND1 TYR 119.A OH no hydrogen 2.557 N/A GLU 75.A N ALA 71.A O no hydrogen 2.945 N/A GLY 76.A N GLN 72.A O no hydrogen 2.831 N/A PHE 77.A N ILE 73.A O no hydrogen 3.101 N/A GLN 78.A N HIS 74.A O no hydrogen 2.940 N/A GLU 79.A N GLU 75.A O no hydrogen 2.991 N/A LEU 80.A N GLY 76.A O no hydrogen 2.958 N/A LEU 81.A N PHE 77.A O no hydrogen 2.788 N/A ARG 82.A N GLN 78.A O no hydrogen 2.928 N/A THR 83.A N GLU 79.A O no hydrogen 3.122 N/A THR 83.A OG1 GLU 79.A O no hydrogen 3.171 N/A LEU 84.A N LEU 80.A O no hydrogen 3.024 N/A ASN 85.A N LEU 81.A O no hydrogen 3.074 N/A ASN 85.A N ARG 82.A O no hydrogen 3.365 N/A SER 89.A OG GLN 86.A O no hydrogen 3.291 N/A THR 94.A N PHE 170.A O no hydrogen 3.131 N/A THR 95.A OG1 SER 37.A OG no hydrogen 3.353 N/A THR 95.A OG1 TYR 168.A O no hydrogen 2.807 N/A GLY 96.A N TYR 168.A O no hydrogen 3.127 N/A ASN 97.A ND2 SER 121.A OG no hydrogen 3.174 N/A GLY 98.A N VAL 166.A O no hydrogen 2.539 N/A PHE 100.A N ALA 164.A O no hydrogen 2.956 N/A LEU 101.A N PHE 124.A O no hydrogen 2.896 N/A SER 102.A N VAL 162.A O no hydrogen 2.819 N/A GLU 103.A N VAL 126.A O no hydrogen 3.074 N/A LEU 105.A N SER 102.A O no hydrogen 3.371 N/A LYS 106.A N GLU 305.A OE1 no hydrogen 3.290 N/A VAL 108.A N VAL 302.A O no hydrogen 2.876 N/A LYS 110.A NZ ASP 114.A OD1 no hydrogen 3.246 N/A LEU 112.A N VAL 108.A O no hydrogen 3.368 N/A GLU 113.A N ASP 109.A O no hydrogen 3.052 N/A ASP 114.A N LYS 110.A O no hydrogen 3.062 N/A VAL 115.A N PHE 111.A O no hydrogen 3.006 N/A LYS 116.A N LEU 112.A O no hydrogen 3.296 N/A LYS 117.A N GLU 113.A O no hydrogen 2.960 N/A LEU 118.A N ASP 114.A O no hydrogen 2.689 N/A TYR 119.A OH HIS 74.A ND1 no hydrogen 2.557 N/A SER 121.A N VAL 115.A O no hydrogen 2.845 N/A SER 121.A OG TYR 119.A O no hydrogen 2.888 N/A PHE 124.A N LEU 99.A O no hydrogen 2.634 N/A VAL 126.A N LEU 101.A O no hydrogen 3.008 N/A ASP 130.A N ASN 127.A O no hydrogen 3.288 N/A GLU 133.A N ASP 130.A OD2 no hydrogen 3.234 N/A ALA 134.A N ASP 130.A O no hydrogen 3.009 N/A LYS 135.A N THR 131.A O no hydrogen 3.086 N/A LYS 135.A NZ GLU 132.A OE2 no hydrogen 2.974 N/A LYS 136.A N GLU 132.A O no hydrogen 2.965 N/A GLN 137.A N GLU 133.A O no hydrogen 2.782 N/A ILE 138.A N ALA 134.A O no hydrogen 2.924 N/A ASN 139.A N LYS 135.A O no hydrogen 2.966 N/A ASN 139.A ND2 VAL 154.A O no hydrogen 3.142 N/A ASP 140.A N LYS 136.A O no hydrogen 2.816 N/A TYR 141.A N GLN 137.A O no hydrogen 3.017 N/A VAL 142.A N ILE 138.A O no hydrogen 3.180 N/A GLU 143.A N ASN 139.A O no hydrogen 2.718 N/A LYS 144.A N ASP 140.A O no hydrogen 2.886 N/A GLY 145.A N TYR 141.A O no hydrogen 2.697 N/A THR 146.A N VAL 142.A O no hydrogen 2.824 N/A THR 146.A OG1 VAL 142.A O no hydrogen 2.646 N/A GLN 147.A N LYS 144.A O no hydrogen 3.245 N/A GLY 148.A N GLU 143.A O no hydrogen 2.811 N/A LYS 149.A N THR 146.A O no hydrogen 2.935 N/A ILE 150.A N THR 146.A OG1 no hydrogen 2.929 N/A VAL 154.A N ASN 139.A OD1 no hydrogen 2.643 N/A THR 161.A N ASP 158.A O no hydrogen 3.189 N/A THR 161.A OG1 ASP 158.A O no hydrogen 2.858 N/A ALA 164.A N PHE 100.A O no hydrogen 2.871 N/A LEU 165.A N LYS 312.A O no hydrogen 2.690 N/A VAL 166.A N GLY 98.A O no hydrogen 2.750 N/A ASN 167.A N VAL 314.A O no hydrogen 2.854 N/A ASN 167.A ND2 ASN 97.A OD1 no hydrogen 2.901 N/A TYR 168.A N GLY 96.A O no hydrogen 3.195 N/A ILE 169.A N LYS 316.A O no hydrogen 2.996 N/A PHE 170.A N THR 94.A O no hydrogen 2.864 N/A PHE 171.A N VAL 318.A O no hydrogen 2.866 N/A TRP 175.A N LYS 324.A O no hydrogen 3.093 N/A TRP 175.A NE1 ASP 322.A O no hydrogen 2.785 N/A GLU 176.A N LYS 224.A O no hydrogen 3.180 N/A PHE 179.A N GLU 323.A O no hydrogen 3.174 N/A ASP 183.A N GLU 180.A O no hydrogen 2.712 N/A THR 184.A N VAL 181.A O no hydrogen 3.136 N/A THR 184.A OG1 GLU 323.A OE2 no hydrogen 2.727 N/A GLU 185.A N MET 201.A O no hydrogen 3.149 N/A GLU 187.A N VAL 199.A O no hydrogen 2.861 N/A PHE 189.A N VAL 197.A O no hydrogen 2.710 N/A HIS 190.A N ASN 348.A O no hydrogen 2.703 N/A ASP 192.A N THR 195.A O no hydrogen 3.415 N/A VAL 194.A N ASP 192.A OD1 no hydrogen 2.785 N/A THR 195.A N ASP 192.A O no hydrogen 3.467 N/A THR 195.A OG1 ASP 192.A OD1 no hydrogen 2.658 N/A THR 195.A OG1 ASP 192.A OD2 no hydrogen 3.104 N/A VAL 197.A N PHE 189.A O no hydrogen 2.897 N/A LYS 198.A NZ ASP 188.A OD1 no hydrogen 2.872 N/A VAL 199.A N GLU 187.A O no hydrogen 2.848 N/A MET 201.A N GLU 185.A O no hydrogen 2.560 N/A MET 202.A N LEU 269.A O no hydrogen 2.832 N/A LYS 203.A NZ GLU 185.A OE1 no hydrogen 2.982 N/A LYS 203.A NZ GLU 187.A OE1 no hydrogen 2.463 N/A ARG 204.A N LEU 267.A O no hydrogen 2.992 N/A ARG 204.A NH1 GLU 335.A OE1 no hydrogen 3.120 N/A GLY 206.A N ALA 265.A O no hydrogen 3.130 N/A MET 207.A N GLU 335.A OE1 no hydrogen 2.966 N/A PHE 208.A N ARG 263.A O no hydrogen 2.971 N/A ASN 209.A ND2 GLN 211.A OE1 no hydrogen 3.480 N/A GLN 211.A N VAL 220.A O no hydrogen 3.058 N/A HIS 212.A NE2 ASP 237.A OD1 no hydrogen 3.114 N/A SER 213.A N SER 218.A O no hydrogen 2.776 N/A LEU 216.A N SER 213.A OG no hydrogen 3.133 N/A SER 218.A N SER 213.A O no hydrogen 3.152 N/A SER 218.A OG LEU 216.A O no hydrogen 2.817 N/A TRP 219.A N LEU 235.A O no hydrogen 2.880 N/A VAL 220.A N GLN 211.A O no hydrogen 2.699 N/A LEU 221.A N PHE 233.A O no hydrogen 3.026 N/A LEU 222.A N ASN 209.A O no hydrogen 2.893 N/A MET 223.A N ALA 231.A O no hydrogen 2.813 N/A LYS 224.A NZ GLU 260.A OE2 no hydrogen 3.280 N/A TYR 225.A N ALA 229.A O no hydrogen 2.788 N/A LEU 226.A N LYS 174.A O no hydrogen 2.578 N/A THR 230.A N ILE 356.A O no hydrogen 2.846 N/A THR 230.A OG1 GLN 358.A OE1 no hydrogen 2.849 N/A ALA 231.A N MET 223.A O no hydrogen 2.873 N/A ILE 232.A N LEU 354.A O no hydrogen 3.015 N/A PHE 233.A N LEU 221.A O no hydrogen 2.763 N/A PHE 234.A N VAL 352.A O no hydrogen 2.663 N/A LEU 235.A N TRP 219.A O no hydrogen 2.860 N/A ASP 237.A N SER 217.A O no hydrogen 2.697 N/A LYS 240.A N ASP 237.A O no hydrogen 2.883 N/A HIS 243.A NE2 LYS 215.A O no hydrogen 3.108 N/A LEU 244.A N LYS 240.A O no hydrogen 2.963 N/A GLU 245.A N LEU 241.A O no hydrogen 2.940 N/A ASN 246.A N GLN 242.A O no hydrogen 3.064 N/A ASN 246.A N HIS 243.A O no hydrogen 3.053 N/A GLU 247.A N HIS 243.A O no hydrogen 2.898 N/A GLU 247.A N LEU 244.A O no hydrogen 3.155 N/A LEU 248.A N LEU 244.A O no hydrogen 3.236 N/A ILE 252.A N THR 249.A OG1 no hydrogen 2.936 N/A ILE 253.A N THR 249.A O no hydrogen 3.032 N/A THR 254.A N HIS 250.A O no hydrogen 2.793 N/A THR 254.A OG1 HIS 250.A O no hydrogen 2.696 N/A LYS 255.A N ASP 251.A O no hydrogen 2.862 N/A PHE 256.A N ILE 252.A O no hydrogen 3.380 N/A LEU 257.A N ILE 253.A O no hydrogen 3.159 N/A GLU 258.A N THR 254.A O no hydrogen 3.013 N/A GLU 258.A N LYS 255.A O no hydrogen 3.357 N/A ASN 259.A N LYS 255.A O no hydrogen 3.383 N/A ASN 259.A N PHE 256.A O no hydrogen 3.299 N/A ASN 259.A ND2 LYS 255.A O no hydrogen 2.902 N/A ARG 263.A N PHE 208.A O no hydrogen 2.960 N/A ALA 265.A N GLY 206.A O no hydrogen 3.025 N/A SER 266.A N PRO 343.A O no hydrogen 2.770 N/A LEU 267.A N ARG 204.A O no hydrogen 2.934 N/A HIS 268.A N VAL 345.A O no hydrogen 3.149 N/A HIS 268.A ND1 GLU 187.A OE2 no hydrogen 3.325 N/A LEU 269.A N MET 202.A O no hydrogen 2.871 N/A LYS 271.A N PRO 200.A O no hydrogen 3.134 N/A LEU 272.A N ILE 321.A O no hydrogen 2.842 N/A ILE 274.A N LEU 319.A O no hydrogen 2.933 N/A GLY 276.A N ALA 317.A O no hydrogen 2.882 N/A TYR 278.A N HIS 315.A O no hydrogen 2.801 N/A LEU 280.A N ALA 313.A O no hydrogen 2.844 N/A LYS 281.A N ASP 279.A OD1 no hydrogen 2.892 N/A SER 282.A N ASP 279.A OD1 no hydrogen 3.193 N/A VAL 283.A N ASP 279.A O no hydrogen 3.061 N/A LEU 284.A N LEU 280.A O no hydrogen 2.739 N/A GLY 285.A N LYS 281.A O no hydrogen 3.166 N/A GLN 286.A N VAL 283.A O no hydrogen 3.106 N/A LEU 287.A N LEU 284.A O no hydrogen 2.845 N/A GLY 288.A N GLY 285.A O no hydrogen 3.226 N/A ILE 289.A N LEU 284.A O no hydrogen 3.069 N/A THR 290.A N GLU 56.A OE1 no hydrogen 3.055 N/A LYS 291.A N GLU 56.A OE1 no hydrogen 2.660 N/A PHE 293.A N THR 290.A O no hydrogen 3.081 N/A SER 294.A N LYS 291.A O no hydrogen 2.856 N/A SER 294.A OG LYS 291.A O no hydrogen 2.792 N/A ALA 297.A N SER 294.A O no hydrogen 3.120 N/A ASP 298.A N THR 53.A OG1 no hydrogen 3.022 N/A SER 300.A N ASP 298.A OD1 no hydrogen 3.197 N/A SER 300.A OG ASP 298.A OD1 no hydrogen 2.817 N/A GLY 301.A N GLY 48.A O no hydrogen 2.839 N/A VAL 302.A N LEU 299.A O no hydrogen 2.804 N/A THR 303.A N LEU 299.A O no hydrogen 3.236 N/A THR 303.A OG1 LYS 106.A O no hydrogen 2.951 N/A GLU 305.A N THR 303.A OG1 no hydrogen 3.317 N/A LYS 309.A NZ ASN 295.A OD1 no hydrogen 3.155 N/A LEU 310.A N VAL 292.A O no hydrogen 2.846 N/A SER 311.A N PHE 163.A O no hydrogen 2.803 N/A LYS 312.A N PHE 163.A O no hydrogen 3.337 N/A LYS 312.A NZ GLU 156.A O no hydrogen 2.741 N/A VAL 314.A N LEU 165.A O no hydrogen 2.926 N/A HIS 315.A N TYR 278.A O no hydrogen 3.006 N/A HIS 315.A ND1 ASN 167.A OD1 no hydrogen 2.722 N/A LYS 316.A N ASN 167.A O no hydrogen 2.843 N/A LYS 316.A NZ THR 277.A OG1 no hydrogen 3.404 N/A ALA 317.A N GLY 276.A O no hydrogen 2.720 N/A VAL 318.A N ILE 169.A O no hydrogen 2.896 N/A LEU 319.A N ILE 274.A O no hydrogen 2.998 N/A THR 320.A N PHE 171.A O no hydrogen 2.963 N/A ILE 321.A N LEU 272.A O no hydrogen 2.642 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.584 N/A LYS 324.A N ASP 322.A OD1 no hydrogen 3.021 N/A THR 326.A OG1 TRP 175.A O no hydrogen 3.373 N/A THR 326.A OG1 GLU 176.A O no hydrogen 2.684 N/A PHE 333.A N GLY 330.A O no hydrogen 3.427 N/A LEU 334.A N ALA 331.A O no hydrogen 2.830 N/A VAL 345.A N SER 266.A O no hydrogen 3.088 N/A LYS 346.A NZ HIS 268.A ND1 no hydrogen 2.530 N/A PHE 347.A N HIS 268.A O no hydrogen 2.883 N/A LYS 349.A NZ PRO 236.A O no hydrogen 2.981 N/A PHE 351.A N VAL 369.A O no hydrogen 3.143 N/A VAL 352.A N PHE 234.A O no hydrogen 3.006 N/A PHE 353.A N GLY 367.A O no hydrogen 2.936 N/A LEU 354.A N ILE 232.A O no hydrogen 3.049 N/A ILE 355.A N PHE 365.A O no hydrogen 2.961 N/A ILE 356.A N THR 230.A O no hydrogen 2.773 N/A GLU 357.A N ALA 362.A O no hydrogen 2.977 N/A GLN 358.A N ASN 228.A O no hydrogen 3.010 N/A ASN 359.A N GLU 357.A OE2 no hydrogen 3.340 N/A THR 360.A N GLU 357.A OE1 no hydrogen 2.656 N/A THR 360.A OG1 GLU 357.A OE1 no hydrogen 2.950 N/A LYS 361.A N GLU 357.A O no hydrogen 2.830 N/A LYS 361.A NZ GLN 358.A O no hydrogen 2.617 N/A ALA 362.A N THR 360.A OG1 no hydrogen 3.300 N/A LEU 364.A N ILE 355.A O no hydrogen 2.843 N/A PHE 365.A N ILE 355.A O no hydrogen 3.354 N/A MET 366.A N PHE 33.A O no hydrogen 3.101 N/A GLY 367.A N PHE 353.A O no hydrogen 3.005 N/A ARG 368.A N ILE 31.A O no hydrogen 2.929 N/A ARG 368.A NE THR 29.A O no hydrogen 3.035 N/A ARG 368.A NH1 GLU 245.A OE2 no hydrogen 2.899 N/A ARG 368.A NH2 SER 26.A O no hydrogen 2.772 N/A ARG 368.A NH2 THR 29.A O no hydrogen 3.037 N/A ARG 368.A NH2 THR 29.A OG1 no hydrogen 3.172 N/A VAL 369.A N PHE 351.A O no hydrogen 2.816 N/A VAL 370.A N ASN 30.A OD1 no hydrogen 2.712 N/A ASN 371.A N ASN 30.A OD1 no hydrogen 3.000 N/A THR 373.A N ASN 371.A OD1 no hydrogen 3.031 N/A THR 373.A OG1 ASN 371.A OD1 no hydrogen 2.956 N/A GLN 374.A N ASN 371.A O no hydrogen 3.377 N/A