Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ubw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N SER 1.A OG no hydrogen 3.187 N/A ARG 7.A N VAL 3.A O no hydrogen 3.007 N/A GLU 8.A N VAL 4.A O no hydrogen 2.349 N/A ARG 9.A N VAL 5.A O no hydrogen 2.393 N/A ARG 9.A NH1 GLU 6.A OE2 no hydrogen 2.348 N/A GLU 10.A N GLU 6.A O no hydrogen 2.341 N/A GLU 11.A N ARG 7.A O no hydrogen 3.176 N/A PHE 12.A N GLU 8.A O no hydrogen 3.299 N/A VAL 13.A N ARG 9.A O no hydrogen 3.438 N/A GLY 14.A N GLU 10.A O no hydrogen 2.714 N/A PHE 15.A N PHE 12.A O no hydrogen 2.846 N/A PHE 16.A N VAL 13.A O no hydrogen 3.394 N/A GLN 18.A N PHE 15.A O no hydrogen 2.839 N/A ILE 19.A N PHE 15.A O no hydrogen 3.164 N/A VAL 20.A N PHE 16.A O no hydrogen 2.905 N/A ARG 21.A N PRO 17.A O no hydrogen 2.505 N/A ASP 22.A N GLN 18.A O no hydrogen 2.843 N/A LEU 23.A N ILE 19.A O no hydrogen 3.046 N/A THR 24.A N VAL 20.A O no hydrogen 3.138 N/A THR 24.A OG1 VAL 20.A O no hydrogen 3.103 N/A GLU 25.A N ARG 21.A O no hydrogen 3.030 N/A ILE 28.A N THR 24.A O no hydrogen 2.768 N/A GLY 29.A N ASP 26.A O no hydrogen 3.409 N/A HIS 30.A N GLY 27.A O no hydrogen 3.009 N/A GLU 32.A N HIS 30.A ND1 no hydrogen 2.733 N/A VAL 33.A N HIS 30.A ND1 no hydrogen 3.483 N/A GLY 34.A N HIS 30.A O no hydrogen 2.707 N/A VAL 37.A N VAL 33.A O no hydrogen 2.911 N/A ALA 38.A N GLY 34.A O no hydrogen 3.086 N/A ARG 39.A N ASP 35.A O no hydrogen 3.479 N/A LEU 40.A N ALA 36.A O no hydrogen 3.194 N/A LYS 41.A N VAL 37.A O no hydrogen 2.926 N/A GLU 42.A N ALA 38.A O no hydrogen 3.031 N/A VAL 43.A N ARG 39.A O no hydrogen 2.630 N/A LEU 44.A N LEU 40.A O no hydrogen 2.653 N/A GLN 45.A N LYS 41.A O no hydrogen 2.767 N/A TYR 46.A N GLU 42.A O no hydrogen 2.816 N/A TYR 46.A OH LEU 111.A O no hydrogen 2.711 N/A ASN 47.A N VAL 43.A O no hydrogen 3.128 N/A ALA 48.A N LEU 44.A O no hydrogen 3.099 N/A ARG 55.A NH2 SER 200.A OG no hydrogen 3.221 N/A GLY 56.A N GLU 88.A OE2 no hydrogen 3.003 N/A LEU 57.A N CYS 53.A O no hydrogen 3.216 N/A THR 58.A N ASN 54.A O no hydrogen 2.980 N/A THR 58.A N ARG 55.A O no hydrogen 3.274 N/A THR 58.A OG1 ASN 54.A O no hydrogen 2.736 N/A VAL 59.A N GLY 56.A O no hydrogen 2.913 N/A ALA 61.A N LEU 57.A O no hydrogen 2.852 N/A ALA 62.A N THR 58.A O no hydrogen 3.103 N/A TYR 63.A N VAL 59.A O no hydrogen 2.788 N/A TYR 63.A OH GLN 71.A O no hydrogen 3.142 N/A ARG 64.A N VAL 60.A O no hydrogen 3.199 N/A ARG 64.A NE GLU 8.A OE2 no hydrogen 3.200 N/A GLU 65.A N ALA 62.A O no hydrogen 2.681 N/A LEU 66.A N TYR 63.A O no hydrogen 3.118 N/A SER 67.A N TYR 63.A O no hydrogen 2.959 N/A SER 67.A OG TYR 63.A O no hydrogen 2.399 N/A GLY 68.A N GLN 71.A OE1 no hydrogen 2.721 N/A GLN 71.A N GLN 71.A OE1 no hydrogen 2.804 N/A SER 76.A N ASP 73.A OD2 no hydrogen 2.879 N/A SER 76.A OG ASP 73.A OD1 no hydrogen 2.660 N/A SER 76.A OG ASP 73.A OD2 no hydrogen 2.759 N/A LEU 77.A N ASP 73.A O no hydrogen 2.704 N/A ARG 78.A N ALA 74.A O no hydrogen 2.739 N/A CYS 79.A N GLU 75.A O no hydrogen 2.897 N/A CYS 79.A SG GLU 75.A O no hydrogen 3.729 N/A CYS 79.A SG TYR 141.A O no hydrogen 3.027 N/A ALA 80.A N SER 76.A O no hydrogen 3.314 N/A LEU 81.A N LEU 77.A O no hydrogen 3.112 N/A ALA 82.A N ARG 78.A O no hydrogen 2.702 N/A VAL 83.A N CYS 79.A O no hydrogen 2.726 N/A GLY 84.A N ALA 80.A O no hydrogen 2.914 N/A TRP 85.A N LEU 81.A O no hydrogen 3.148 N/A TRP 85.A NE1 PHE 12.A O no hydrogen 3.033 N/A CYS 86.A N ALA 82.A O no hydrogen 3.133 N/A CYS 86.A SG ALA 82.A O no hydrogen 3.937 N/A CYS 86.A SG VAL 134.A O no hydrogen 3.410 N/A ILE 87.A N VAL 83.A O no hydrogen 3.339 N/A ILE 87.A N GLY 84.A O no hydrogen 2.879 N/A GLU 88.A N GLY 84.A O no hydrogen 3.101 N/A LEU 89.A N TRP 85.A O no hydrogen 2.602 N/A PHE 90.A N CYS 86.A O no hydrogen 3.130 N/A GLN 91.A N ILE 87.A O no hydrogen 3.034 N/A ALA 92.A N GLU 88.A O no hydrogen 3.189 N/A ALA 93.A N LEU 89.A O no hydrogen 2.920 N/A SER 94.A N PHE 90.A O no hydrogen 3.143 N/A SER 94.A OG PHE 90.A O no hydrogen 3.386 N/A LEU 95.A N GLN 91.A O no hydrogen 2.789 N/A VAL 96.A N ALA 92.A O no hydrogen 2.761 N/A ALA 97.A N ALA 93.A O no hydrogen 3.323 N/A ASP 98.A N SER 94.A O no hydrogen 2.732 N/A ASP 99.A N LEU 95.A O no hydrogen 3.154 N/A MET 101.A N ALA 97.A O no hydrogen 3.156 N/A ASP 102.A N ASP 99.A O no hydrogen 3.155 N/A GLN 103.A N ILE 100.A O no hydrogen 3.203 N/A SER 104.A N ASP 99.A O no hydrogen 3.066 N/A ARG 107.A N GLN 110.A O no hydrogen 2.828 N/A ARG 108.A NH2 ASN 47.A O no hydrogen 3.509 N/A GLN 110.A N ARG 107.A O no hydrogen 2.647 N/A GLN 110.A NE2 ARG 108.A O no hydrogen 2.620 N/A CYS 112.A N LEU 105.A O no hydrogen 2.920 N/A TRP 113.A NE1 ASP 126.A OD2 no hydrogen 2.766 N/A TYR 114.A OH ASP 99.A O no hydrogen 3.336 N/A TYR 114.A OH SER 104.A O no hydrogen 2.306 N/A LYS 116.A N TRP 113.A O no hydrogen 2.966 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.828 N/A VAL 119.A N LYS 116.A O no hydrogen 3.216 N/A GLY 120.A N TYR 114.A O no hydrogen 2.926 N/A ALA 123.A N GLY 120.A O no hydrogen 3.188 N/A ILE 124.A N LEU 121.A O no hydrogen 2.829 N/A ASP 126.A N ALA 123.A O no hydrogen 3.139 N/A SER 127.A N ALA 123.A O no hydrogen 2.913 N/A SER 127.A OG ALA 93.A O no hydrogen 2.544 N/A PHE 128.A N ILE 124.A O no hydrogen 3.363 N/A LEU 129.A N ASN 125.A O no hydrogen 3.386 N/A LEU 130.A N ASP 126.A O no hydrogen 3.181 N/A LEU 130.A N SER 127.A O no hydrogen 3.058 N/A GLU 131.A N SER 127.A O no hydrogen 3.004 N/A SER 132.A N PHE 128.A O no hydrogen 2.723 N/A SER 133.A N LEU 129.A O no hydrogen 3.098 N/A SER 133.A OG LEU 129.A O no hydrogen 2.919 N/A VAL 134.A N GLU 131.A O no hydrogen 3.375 N/A ARG 136.A N SER 132.A O no hydrogen 3.259 N/A ARG 136.A N SER 133.A O no hydrogen 3.301 N/A VAL 137.A N SER 133.A O no hydrogen 3.070 N/A LEU 138.A N VAL 134.A O no hydrogen 3.131 N/A LYS 139.A N TYR 135.A O no hydrogen 3.213 N/A LYS 140.A N ARG 136.A O no hydrogen 3.066 N/A TYR 141.A N VAL 137.A O no hydrogen 3.073 N/A TYR 141.A OH ASP 22.A OD1 no hydrogen 3.317 N/A TYR 141.A OH ASP 22.A OD2 no hydrogen 2.679 N/A CYS 142.A N LEU 138.A O no hydrogen 2.938 N/A ARG 143.A N LYS 139.A O no hydrogen 3.299 N/A TYR 148.A N ARG 145.A O no hydrogen 3.149 N/A HIS 150.A N TYR 147.A O no hydrogen 2.700 N/A LEU 151.A N TYR 147.A O no hydrogen 3.141 N/A LEU 152.A N TYR 148.A O no hydrogen 3.092 N/A GLU 153.A N VAL 149.A O no hydrogen 3.124 N/A LEU 154.A N HIS 150.A O no hydrogen 2.684 N/A PHE 155.A N LEU 151.A O no hydrogen 2.791 N/A LEU 156.A N LEU 152.A O no hydrogen 2.893 N/A GLN 157.A N GLU 153.A O no hydrogen 3.053 N/A THR 158.A N LEU 154.A O no hydrogen 3.141 N/A THR 158.A OG1 PHE 155.A O no hydrogen 3.224 N/A ALA 159.A N PHE 155.A O no hydrogen 3.010 N/A ALA 159.A N LEU 156.A O no hydrogen 3.026 N/A TYR 160.A N LEU 156.A O no hydrogen 3.172 N/A GLN 161.A N GLN 157.A O no hydrogen 2.855 N/A THR 162.A N THR 158.A O no hydrogen 3.115 N/A GLU 163.A N ALA 159.A O no hydrogen 3.173 N/A LEU 164.A N TYR 160.A O no hydrogen 3.257 N/A GLY 165.A N GLN 161.A O no hydrogen 3.080 N/A GLN 166.A N THR 162.A O no hydrogen 2.607 N/A MET 167.A N GLU 163.A O no hydrogen 2.600 N/A LEU 168.A N LEU 164.A O no hydrogen 2.959 N/A ASP 169.A N GLY 165.A O no hydrogen 3.273 N/A ASP 169.A N GLN 166.A O no hydrogen 2.867 N/A LEU 170.A N GLN 166.A O no hydrogen 2.733 N/A ILE 171.A N MET 167.A O no hydrogen 2.860 N/A THR 172.A N LEU 168.A O no hydrogen 2.925 N/A THR 172.A OG1 LEU 168.A O no hydrogen 2.520 N/A ALA 173.A N ASP 169.A O no hydrogen 2.938 N/A SER 181.A OG ASP 179.A OD1 no hydrogen 3.453 N/A PHE 183.A N LEU 180.A O no hydrogen 3.320 N/A ARG 187.A N SER 184.A OG no hydrogen 2.819 N/A ARG 187.A NH1 THR 172.A OG1 no hydrogen 3.256 N/A TYR 188.A N SER 184.A O no hydrogen 2.848 N/A TYR 188.A OH ASP 239.A OD2 no hydrogen 2.702 N/A LYS 189.A N GLU 185.A O no hydrogen 2.729 N/A ALA 190.A N GLU 186.A O no hydrogen 2.839 N/A ILE 191.A N ARG 187.A O no hydrogen 2.764 N/A VAL 192.A N TYR 188.A O no hydrogen 3.077 N/A LYS 193.A N LYS 189.A O no hydrogen 3.019 N/A TYR 194.A N ALA 190.A O no hydrogen 3.334 N/A LYS 195.A N ILE 191.A O no hydrogen 2.771 N/A THR 196.A N VAL 192.A O no hydrogen 3.113 N/A THR 196.A OG1 VAL 192.A O no hydrogen 3.255 N/A ALA 197.A N VAL 192.A O no hydrogen 3.179 N/A TYR 199.A OH GLN 91.A OE1 no hydrogen 2.703 N/A SER 200.A N THR 196.A O no hydrogen 2.714 N/A SER 200.A OG THR 196.A O no hydrogen 2.272 N/A PHE 201.A N ALA 197.A O no hydrogen 2.944 N/A TYR 202.A N ALA 197.A O no hydrogen 3.465 N/A TYR 202.A OH HIS 220.A ND1 no hydrogen 2.895 N/A LEU 203.A N PHE 198.A O no hydrogen 2.912 N/A ALA 206.A N TYR 202.A O no hydrogen 2.859 N/A ALA 207.A N LEU 203.A O no hydrogen 3.035 N/A ALA 208.A N VAL 205.A O no hydrogen 2.832 N/A MET 209.A N VAL 205.A O no hydrogen 2.856 N/A MET 209.A N ALA 206.A O no hydrogen 3.049 N/A TYR 210.A N ALA 206.A O no hydrogen 2.984 N/A MET 211.A N ALA 207.A O no hydrogen 3.004 N/A VAL 212.A N ALA 208.A O no hydrogen 3.183 N/A GLY 213.A N TYR 210.A O no hydrogen 3.234 N/A ILE 214.A N MET 209.A O no hydrogen 3.059 N/A GLU 219.A N SER 216.A O no hydrogen 2.853 N/A HIS 220.A N SER 216.A O no hydrogen 3.003 N/A HIS 220.A NE2 ILE 214.A O no hydrogen 3.058 N/A GLU 221.A N LYS 217.A O no hydrogen 3.114 N/A ASN 222.A N GLU 218.A O no hydrogen 2.993 N/A ASN 222.A ND2 GLU 219.A OE2 no hydrogen 3.317 N/A ALA 223.A N GLU 219.A O no hydrogen 3.004 N/A LYS 224.A N HIS 220.A O no hydrogen 2.668 N/A ALA 225.A N GLU 221.A O no hydrogen 2.895 N/A ILE 226.A N ALA 223.A O no hydrogen 2.845 N/A LEU 227.A N ALA 223.A O no hydrogen 2.937 N/A LEU 228.A N LYS 224.A O no hydrogen 3.146 N/A MET 230.A N ILE 226.A O no hydrogen 3.338 N/A GLY 231.A N LEU 227.A O no hydrogen 2.812 N/A GLU 232.A N LEU 228.A O no hydrogen 2.825 N/A GLU 232.A N GLU 229.A O no hydrogen 3.062 N/A TYR 233.A N GLU 229.A O no hydrogen 3.082 N/A TYR 233.A OH GLN 237.A OE1 no hydrogen 2.495 N/A TYR 233.A OH GLU 313.A OE2 no hydrogen 2.503 N/A PHE 234.A N MET 230.A O no hydrogen 2.737 N/A GLN 235.A N GLY 231.A O no hydrogen 3.303 N/A ILE 236.A N GLU 232.A O no hydrogen 3.058 N/A GLN 237.A N TYR 233.A O no hydrogen 2.949 N/A GLN 237.A NE2 ILE 343.A O no hydrogen 2.981 N/A ASP 238.A N PHE 234.A O no hydrogen 2.875 N/A ASP 239.A N GLN 235.A O no hydrogen 2.755 N/A TYR 240.A N ILE 236.A O no hydrogen 2.657 N/A TYR 240.A OH GLN 347.A O no hydrogen 2.717 N/A LEU 241.A N GLN 237.A O no hydrogen 2.893 N/A LEU 241.A N ASP 238.A O no hydrogen 3.139 N/A ASP 242.A N ASP 238.A O no hydrogen 3.190 N/A ASP 246.A N GLN 347.A OE1 no hydrogen 2.559 N/A LEU 249.A N ASP 246.A O no hydrogen 2.880 N/A THR 255.A OG1 ASP 242.A O no hydrogen 3.188 N/A THR 255.A OG1 ASP 242.A OD1 no hydrogen 3.118 N/A THR 255.A OG1 GLY 254.A O no hydrogen 2.724 N/A ASN 260.A ND2 PRO 174.A O no hydrogen 3.447 N/A ASN 260.A ND2 VAL 178.A O no hydrogen 2.790 N/A TRP 264.A N ASP 239.A OD2 no hydrogen 3.315 N/A LEU 265.A N SER 263.A OG no hydrogen 3.430 N/A VAL 267.A N SER 263.A O no hydrogen 3.160 N/A GLN 268.A N TRP 264.A O no hydrogen 2.864 N/A CYS 269.A N LEU 265.A O no hydrogen 2.920 N/A LEU 270.A N VAL 266.A O no hydrogen 2.700 N/A ARG 272.A N CYS 269.A O no hydrogen 2.946 N/A THR 274.A N GLN 277.A OE1 no hydrogen 2.247 N/A THR 274.A OG1 GLU 276.A OE2 no hydrogen 2.592 N/A THR 274.A OG1 GLN 277.A OE1 no hydrogen 2.282 N/A GLU 276.A N THR 274.A OG1 no hydrogen 3.176 N/A GLN 277.A N THR 274.A OG1 no hydrogen 3.300 N/A ARG 278.A N THR 274.A O no hydrogen 2.891 N/A ARG 278.A NH1 LEU 180.A O no hydrogen 3.196 N/A GLN 279.A N GLU 276.A O no hydrogen 3.041 N/A LEU 280.A N GLU 276.A O no hydrogen 2.859 N/A LEU 281.A N GLN 277.A O no hydrogen 2.566 N/A ASP 283.A N GLN 279.A O no hydrogen 2.996 N/A TYR 285.A N LEU 281.A O no hydrogen 3.296 N/A TYR 285.A OH LYS 261.A O no hydrogen 2.411 N/A ARG 287.A N ASN 284.A O no hydrogen 3.220 N/A ARG 287.A NE GLY 286.A O no hydrogen 3.122 N/A ARG 287.A NH1 GLU 289.A OE2 no hydrogen 3.184 N/A ARG 287.A NH2 GLY 286.A O no hydrogen 2.980 N/A ALA 294.A N PRO 290.A O no hydrogen 3.105 N/A LYS 295.A N GLU 291.A O no hydrogen 2.913 N/A LYS 295.A NZ GLU 298.A OE1 no hydrogen 2.489 N/A VAL 296.A N LYS 292.A O no hydrogen 2.773 N/A LYS 297.A N VAL 293.A O no hydrogen 3.022 N/A GLU 298.A N ALA 294.A O no hydrogen 3.110 N/A LEU 299.A N LYS 295.A O no hydrogen 2.953 N/A TYR 300.A N VAL 296.A O no hydrogen 3.345 N/A GLU 301.A N LYS 297.A O no hydrogen 3.047 N/A GLU 301.A N GLU 298.A O no hydrogen 2.775 N/A ALA 302.A N GLU 298.A O no hydrogen 2.477 N/A VAL 303.A N LEU 299.A O no hydrogen 2.443 N/A MET 305.A N TYR 300.A O no hydrogen 2.725 N/A ALA 307.A N GLY 304.A O no hydrogen 3.325 N/A PHE 309.A N MET 305.A O no hydrogen 3.050 N/A GLN 310.A N ARG 306.A O no hydrogen 3.324 N/A GLN 310.A NE2 GLU 313.A OE1 no hydrogen 2.583 N/A GLN 311.A N ALA 307.A O no hydrogen 2.880 N/A TYR 312.A N ALA 308.A O no hydrogen 2.929 N/A GLU 313.A N PHE 309.A O no hydrogen 2.613 N/A SER 315.A N GLN 311.A O no hydrogen 2.997 N/A SER 316.A N TYR 312.A O no hydrogen 2.870 N/A TYR 317.A N GLU 313.A O no hydrogen 3.158 N/A ARG 318.A N GLU 314.A O no hydrogen 3.465 N/A ARG 319.A N SER 315.A O no hydrogen 3.165 N/A LEU 320.A N TYR 317.A O no hydrogen 3.058 N/A GLN 321.A N TYR 317.A O no hydrogen 3.399 N/A GLN 321.A NE2 TYR 317.A O no hydrogen 3.375 N/A GLU 322.A N ARG 318.A O no hydrogen 3.261 N/A LEU 323.A N ARG 319.A O no hydrogen 3.489 N/A ILE 324.A N LEU 320.A O no hydrogen 2.932 N/A ILE 324.A N GLN 321.A O no hydrogen 3.080 N/A GLU 325.A N GLN 321.A O no hydrogen 3.200 N/A GLU 325.A N GLU 322.A O no hydrogen 2.764 N/A LYS 326.A N GLU 322.A O no hydrogen 2.994 N/A HIS 327.A N LEU 323.A O no hydrogen 3.123 N/A SER 328.A N ILE 324.A O no hydrogen 3.228 N/A SER 328.A OG LEU 331.A O no hydrogen 2.809 N/A ASN 329.A ND2 LYS 326.A O no hydrogen 3.183 N/A ILE 335.A N PRO 332.A O no hydrogen 2.607 N/A LEU 337.A N LYS 333.A O no hydrogen 3.141 N/A ALA 340.A N PHE 336.A O no hydrogen 2.926 N/A GLN 341.A N LEU 337.A O no hydrogen 2.355 N/A LYS 342.A N LEU 339.A O no hydrogen 3.063 N/A ILE 343.A N ALA 340.A O no hydrogen 2.846 N/A TYR 344.A N ALA 340.A O no hydrogen 3.366 N/A LYS 345.A N GLN 237.A OE1 no hydrogen 2.960 N/A