Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cff_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N TYR 9.A O no hydrogen 2.815 N/A TYR 9.A N ILE 6.A O no hydrogen 2.847 N/A TYR 9.A OH HIS 33.A ND1 no hydrogen 2.626 N/A VAL 10.A N GLU 27.A O no hydrogen 2.633 N/A GLY 12.A N ILE 25.A O no hydrogen 2.826 N/A LEU 15.A N VAL 23.A O no hydrogen 2.864 N/A GLY 16.A N VAL 23.A O no hydrogen 3.063 N/A GLY 18.A N GLY 21.A O no hydrogen 3.223 N/A THR 19.A N ASP 150.A OD2 no hydrogen 3.097 N/A THR 19.A OG1 ASP 132.A OD2 no hydrogen 3.136 N/A THR 19.A OG1 ASP 150.A OD1 no hydrogen 3.525 N/A THR 19.A OG1 ASP 150.A OD2 no hydrogen 3.211 N/A LYS 22.A N ILE 39.A O no hydrogen 3.074 N/A VAL 23.A N GLY 16.A O no hydrogen 2.842 N/A LYS 24.A N VAL 37.A O no hydrogen 3.295 N/A ILE 25.A N ASP 13.A O no hydrogen 3.149 N/A GLY 26.A N VAL 35.A O no hydrogen 2.746 N/A GLU 27.A N VAL 10.A O no hydrogen 2.729 N/A HIS 28.A N HIS 33.A O no hydrogen 2.903 N/A GLN 29.A N HIS 8.A O no hydrogen 3.295 N/A LEU 30.A N HIS 28.A ND1 no hydrogen 3.128 N/A THR 31.A N HIS 28.A ND1 no hydrogen 3.037 N/A THR 31.A OG1 HIS 28.A ND1 no hydrogen 3.206 N/A GLY 32.A N HIS 28.A O no hydrogen 3.156 N/A HIS 33.A N THR 31.A OG1 no hydrogen 3.106 N/A HIS 33.A ND1 TYR 9.A OH no hydrogen 2.626 N/A VAL 35.A N GLY 26.A O no hydrogen 2.943 N/A ALA 36.A N MET 86.A O no hydrogen 3.119 N/A VAL 37.A N LYS 24.A O no hydrogen 2.888 N/A ILE 39.A N LYS 22.A O no hydrogen 2.602 N/A LEU 40.A N PHE 82.A O no hydrogen 2.965 N/A ASN 41.A ND2 ASP 81.A OD2 no hydrogen 2.811 N/A ARG 42.A N THR 80.A O no hydrogen 2.982 N/A ARG 42.A NH1 THR 78.A O no hydrogen 3.119 N/A GLN 43.A N ASN 41.A OD1 no hydrogen 2.950 N/A LYS 44.A N ASN 41.A O no hydrogen 2.870 N/A LYS 44.A N ASN 41.A OD1 no hydrogen 3.207 N/A ILE 45.A N ASN 41.A O no hydrogen 2.982 N/A ARG 46.A N ARG 42.A O no hydrogen 3.178 N/A ARG 46.A NE ARG 42.A O no hydrogen 3.054 N/A SER 47.A N GLN 43.A O no hydrogen 3.062 N/A SER 47.A OG LYS 44.A O no hydrogen 2.850 N/A LYS 53.A N VAL 50.A O no hydrogen 3.216 N/A ILE 54.A N VAL 50.A O no hydrogen 3.121 N/A GLU 57.A N LYS 53.A O no hydrogen 3.324 N/A ILE 58.A N ILE 54.A O no hydrogen 2.911 N/A GLN 59.A N LYS 55.A O no hydrogen 3.084 N/A ASN 60.A N ARG 56.A O no hydrogen 2.918 N/A ASN 60.A N GLU 57.A O no hydrogen 3.236 N/A ASN 60.A ND2 ARG 56.A O no hydrogen 2.318 N/A LEU 61.A N GLU 57.A O no hydrogen 2.746 N/A LYS 62.A N ILE 58.A O no hydrogen 3.018 N/A LEU 63.A N ASN 60.A O no hydrogen 3.350 N/A ARG 65.A N TYR 122.A OH no hydrogen 3.037 N/A HIS 68.A N HIS 66.A ND1 no hydrogen 3.044 N/A HIS 68.A ND1 ALA 146.A O no hydrogen 3.168 N/A ILE 69.A N HIS 66.A O no hydrogen 3.224 N/A ILE 70.A N ILE 148.A O no hydrogen 3.119 N/A LYS 71.A N GLU 87.A OE1 no hydrogen 3.114 N/A LYS 71.A NZ GLU 87.A OE1 no hydrogen 3.082 N/A GLN 74.A N VAL 85.A O no hydrogen 3.233 N/A ILE 76.A N PHE 83.A O no hydrogen 2.915 N/A THR 78.A N ASP 81.A O no hydrogen 3.040 N/A THR 78.A OG1 ASP 81.A O no hydrogen 2.394 N/A THR 80.A OG1 ASP 81.A OD1 no hydrogen 3.040 N/A ASP 81.A N THR 78.A OG1 no hydrogen 2.780 N/A PHE 82.A N LEU 40.A O no hydrogen 2.835 N/A PHE 83.A N ILE 76.A O no hydrogen 2.968 N/A MET 84.A N LYS 38.A O no hydrogen 2.921 N/A VAL 85.A N PHE 83.A O no hydrogen 3.203 N/A MET 86.A N ALA 36.A O no hydrogen 2.829 N/A GLU 87.A N LYS 71.A O no hydrogen 2.844 N/A LEU 94.A N VAL 138.A O no hydrogen 2.925 N/A PHE 95.A N PRO 135.A O no hydrogen 3.288 N/A TYR 97.A OH GLU 108.A OE1 no hydrogen 2.959 N/A ILE 98.A N LEU 94.A O no hydrogen 2.903 N/A CYS 99.A N PHE 95.A O no hydrogen 3.201 N/A CYS 99.A N ASP 96.A O no hydrogen 3.089 N/A LYS 100.A N ASP 96.A O no hydrogen 2.790 N/A HIS 101.A N TYR 97.A O no hydrogen 3.337 N/A ARG 103.A NE TYR 228.A OH no hydrogen 3.138 N/A VAL 104.A N LEU 199.A O no hydrogen 3.221 N/A GLU 108.A N GLU 105.A O no hydrogen 2.867 N/A ALA 109.A N GLU 105.A O no hydrogen 2.596 N/A ARG 110.A N GLU 106.A O no hydrogen 2.976 N/A ARG 110.A NH1 TRP 259.A O no hydrogen 2.593 N/A ARG 111.A NH1 MET 144.A O no hydrogen 2.886 N/A ARG 111.A NH1 ASN 145.A OD1 no hydrogen 3.430 N/A ARG 111.A NH2 MET 144.A O no hydrogen 2.786 N/A LEU 112.A N GLU 108.A O no hydrogen 3.169 N/A PHE 113.A N ALA 109.A O no hydrogen 3.105 N/A GLN 114.A N ARG 110.A O no hydrogen 2.882 N/A GLN 114.A NE2 PHE 260.A O no hydrogen 2.970 N/A GLN 114.A NE2 GLN 262.A O no hydrogen 3.344 N/A GLN 115.A N ARG 111.A O no hydrogen 3.131 N/A ILE 116.A N LEU 112.A O no hydrogen 2.917 N/A LEU 117.A N PHE 113.A O no hydrogen 2.939 N/A SER 118.A N GLN 114.A O no hydrogen 2.908 N/A SER 118.A OG HIS 66.A NE2 no hydrogen 3.315 N/A SER 118.A OG LEU 268.A O no hydrogen 2.799 N/A ALA 119.A N GLN 115.A O no hydrogen 3.347 N/A ALA 119.A N ILE 116.A O no hydrogen 3.197 N/A VAL 120.A N ILE 116.A O no hydrogen 3.105 N/A ASP 121.A N LEU 117.A O no hydrogen 2.817 N/A TYR 122.A N SER 118.A O no hydrogen 3.438 N/A CYS 123.A N ALA 119.A O no hydrogen 2.970 N/A CYS 123.A SG ALA 119.A O no hydrogen 3.492 N/A HIS 124.A N VAL 120.A O no hydrogen 3.018 N/A HIS 124.A NE2 ASP 188.A OD2 no hydrogen 3.094 N/A ARG 125.A N ASP 121.A O no hydrogen 2.906 N/A ARG 125.A NE ASP 121.A OD2 no hydrogen 2.930 N/A ARG 125.A NH2 ASP 121.A OD2 no hydrogen 3.013 N/A HIS 126.A N CYS 123.A O no hydrogen 3.151 N/A MET 127.A N HIS 124.A O no hydrogen 2.901 N/A VAL 128.A N CYS 123.A O no hydrogen 2.761 N/A VAL 129.A N ASN 155.A O no hydrogen 3.106 N/A HIS 130.A NE2 ALA 149.A O no hydrogen 2.741 N/A ARG 131.A NE LEU 153.A O no hydrogen 2.802 N/A ARG 131.A NH1 TYR 182.A OH no hydrogen 2.628 N/A ARG 131.A NH2 LEU 153.A O no hydrogen 2.821 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.156 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.575 N/A ASN 137.A N LYS 134.A O no hydrogen 2.665 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.402 N/A VAL 138.A N PRO 135.A O no hydrogen 3.291 N/A LEU 139.A N LYS 147.A O no hydrogen 2.978 N/A LEU 140.A N GLY 92.A O no hydrogen 2.907 N/A HIS 143.A N ASP 141.A OD1 no hydrogen 3.316 N/A MET 144.A N ASP 141.A O no hydrogen 3.367 N/A ASN 145.A N ASP 141.A OD1 no hydrogen 2.508 N/A ALA 146.A N GLN 115.A OE1 no hydrogen 3.167 N/A LYS 147.A NZ PRO 67.A O no hydrogen 2.849 N/A LYS 147.A NZ GLU 87.A OE2 no hydrogen 3.098 N/A ILE 148.A N HIS 68.A O no hydrogen 2.829 N/A ALA 149.A N ASN 137.A O no hydrogen 3.195 N/A GLY 152.A N ASP 150.A OD1 no hydrogen 3.221 N/A SER 154.A OG PHE 151.A O no hydrogen 3.093 N/A ASN 155.A N VAL 129.A O no hydrogen 3.319 N/A MET 156.A N ASN 155.A OD1 no hydrogen 2.641 N/A MET 157.A N MET 127.A O no hydrogen 3.002 N/A LEU 163.A N TYR 182.A O no hydrogen 3.017 N/A SER 165.A OG VAL 176.A O no hydrogen 2.831 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.775 N/A VAL 176.A N ALA 173.A O no hydrogen 2.853 N/A ILE 177.A N ALA 173.A O no hydrogen 3.364 N/A SER 178.A OG PRO 174.A O no hydrogen 3.111 N/A GLY 179.A N VAL 176.A O no hydrogen 3.132 N/A ARG 180.A N GLU 175.A O no hydrogen 3.164 N/A TYR 182.A N LEU 163.A O no hydrogen 3.230 N/A GLY 184.A N GLU 186.A OE2 no hydrogen 2.581 N/A VAL 187.A N GLY 184.A O no hydrogen 3.049 N/A ILE 189.A N PRO 185.A O no hydrogen 3.379 N/A SER 191.A N VAL 187.A O no hydrogen 3.133 N/A SER 191.A OG TYR 171.A O no hydrogen 2.499 N/A CYS 192.A N ASP 188.A O no hydrogen 2.794 N/A CYS 192.A SG ASP 188.A O no hydrogen 3.382 N/A GLY 193.A N ILE 189.A O no hydrogen 2.824 N/A VAL 194.A N TRP 190.A O no hydrogen 3.477 N/A ILE 195.A N SER 191.A O no hydrogen 3.126 N/A LEU 196.A N CYS 192.A O no hydrogen 3.069 N/A TYR 197.A N GLY 193.A O no hydrogen 3.111 N/A TYR 197.A OH TYR 224.A O no hydrogen 2.414 N/A ALA 198.A N VAL 194.A O no hydrogen 2.759 N/A LEU 199.A N ILE 195.A O no hydrogen 2.939 N/A LEU 200.A N LEU 196.A O no hydrogen 3.039 N/A LEU 200.A N TYR 197.A O no hydrogen 3.189 N/A CYS 201.A N TYR 197.A O no hydrogen 2.713 N/A GLY 202.A N ALA 198.A O no hydrogen 3.169 N/A HIS 210.A N ASP 208.A OD1 no hydrogen 3.120 N/A HIS 210.A ND1 THR 213.A OG1 no hydrogen 2.459 N/A THR 213.A OG1 HIS 210.A ND1 no hydrogen 2.459 N/A LEU 214.A N HIS 210.A O no hydrogen 2.897 N/A PHE 215.A N VAL 211.A O no hydrogen 2.969 N/A LYS 216.A N PRO 212.A O no hydrogen 3.018 N/A LYS 217.A N THR 213.A O no hydrogen 3.203 N/A LYS 217.A NZ ASP 207.A O no hydrogen 3.331 N/A LYS 217.A NZ ASP 208.A OD2 no hydrogen 2.640 N/A ILE 218.A N LEU 214.A O no hydrogen 3.209 N/A ARG 219.A N PHE 215.A O no hydrogen 3.122 N/A ARG 219.A NE SER 178.A OG no hydrogen 3.147 N/A GLY 220.A N LYS 216.A O no hydrogen 3.262 N/A GLY 221.A N LYS 217.A O no hydrogen 2.973 N/A GLY 221.A N ILE 218.A O no hydrogen 2.891 N/A LEU 229.A N PRO 226.A O no hydrogen 3.418 N/A ASN 230.A ND2 GLU 106.A OE1 no hydrogen 3.379 N/A VAL 233.A N ASN 230.A OD1 no hydrogen 3.017 N/A ALA 234.A N ASN 230.A O no hydrogen 3.165 N/A THR 235.A N ARG 231.A O no hydrogen 3.331 N/A THR 235.A OG1 SER 232.A O no hydrogen 2.598 N/A THR 235.A OG1 HIS 257.A NE2 no hydrogen 3.107 N/A LEU 237.A N VAL 233.A O no hydrogen 3.382 N/A MET 238.A N ALA 234.A O no hydrogen 3.240 N/A HIS 239.A N THR 235.A O no hydrogen 3.080 N/A MET 240.A N LEU 236.A O no hydrogen 3.028 N/A LEU 241.A N LEU 237.A O no hydrogen 3.060 N/A LYS 247.A N ASP 244.A O no hydrogen 2.789 N/A ARG 248.A N ASP 244.A O no hydrogen 3.126 N/A ARG 248.A NE GLN 242.A O no hydrogen 2.905 N/A ARG 248.A NH1 GLU 175.A OE2 no hydrogen 3.042 N/A ARG 248.A NH1 GLU 186.A O no hydrogen 2.242 N/A ARG 248.A NH2 GLU 175.A OE1 no hydrogen 3.020 N/A ARG 248.A NH2 GLU 175.A OE2 no hydrogen 3.395 N/A ARG 248.A NH2 GLN 242.A O no hydrogen 3.237 N/A ARG 248.A NH2 VAL 243.A O no hydrogen 2.985 N/A ALA 249.A N HIS 239.A O no hydrogen 3.114 N/A THR 250.A N ASP 253.A OD2 no hydrogen 3.026 N/A THR 250.A OG1 ASP 253.A OD2 no hydrogen 3.429 N/A ILE 254.A N THR 250.A O no hydrogen 3.041 N/A ARG 255.A N ILE 251.A O no hydrogen 3.164 N/A GLU 256.A N ASP 253.A O no hydrogen 3.270 N/A HIS 257.A N ILE 254.A O no hydrogen 3.070 N/A HIS 257.A NE2 THR 235.A OG1 no hydrogen 3.107 N/A TRP 259.A N HIS 257.A ND1 no hydrogen 2.974 N/A PHE 260.A N HIS 257.A O no hydrogen 3.248 N/A LYS 261.A N HIS 257.A O no hydrogen 3.144 N/A LYS 261.A NZ GLU 258.A OE2 no hydrogen 3.178 N/A LEU 264.A N LYS 261.A O no hydrogen 3.336 N/A ASP 272.A N PHE 269.A O no hydrogen 3.152 N/A TYR 275.A N ASP 272.A O no hydrogen 3.260 N/A ASN 278.A N TYR 275.A O no hydrogen 3.000 N/A ASN 278.A ND2 SER 274.A O no hydrogen 2.510 N/A VAL 279.A N TYR 275.A O no hydrogen 2.802 N/A ILE 294.A N ALA 290.A O no hydrogen 3.181 N/A ILE 295.A N TYR 291.A O no hydrogen 3.216 N/A ASP 296.A N HIS 292.A O no hydrogen 3.140 N/A ASN 297.A N LEU 293.A O no hydrogen 2.809 N/A ARG 298.A N ILE 294.A O no hydrogen 2.882 N/A ARG 299.A N ILE 295.A O no hydrogen 2.918 N/A ARG 299.A NH2 ASP 296.A OD1 no hydrogen 2.834 N/A ILE 300.A N ASP 296.A O no hydrogen 3.139 N/A MET 301.A N ASN 297.A O no hydrogen 3.098 N/A ASN 302.A N ARG 298.A O no hydrogen 2.815 N/A ASN 302.A ND2 GLU 271.A OE2 no hydrogen 3.100 N/A GLN 303.A N ARG 299.A O no hydrogen 2.994 N/A SER 305.A OG ASN 302.A O no hydrogen 3.371 N/A GLU 306.A N GLU 306.A OE1 no hydrogen 2.580 N/A PHE 307.A N ALA 304.A O no hydrogen 3.113 N/A LEU 309.A N SER 305.A O no hydrogen 3.237 N/A GLU 319.A N HIS 317.A ND1 no hydrogen 3.116 N/A ARG 320.A N HIS 317.A O no hydrogen 3.025 N/A SER 339.A N TYR 396.A O no hydrogen 2.825 N/A SER 339.A OG SER 341.A OG no hydrogen 2.862 N/A SER 341.A N SER 339.A OG no hydrogen 3.091 N/A SER 341.A OG SER 339.A OG no hydrogen 2.862 N/A ILE 346.A N LYS 342.A O no hydrogen 3.063 N/A MET 347.A N PRO 343.A O no hydrogen 3.371 N/A ALA 348.A N TYR 344.A O no hydrogen 2.874 N/A GLU 349.A N ILE 346.A O no hydrogen 3.030 N/A VAL 350.A N ILE 346.A O no hydrogen 2.905 N/A TYR 351.A N MET 347.A O no hydrogen 3.155 N/A LYS 355.A NZ TYR 351.A O no hydrogen 3.481 N/A PHE 359.A N MET 354.A O no hydrogen 2.978 N/A GLU 360.A N ARG 372.A O no hydrogen 2.845 N/A LYS 362.A N ARG 370.A O no hydrogen 3.374 N/A VAL 364.A N HIS 368.A O no hydrogen 3.224 N/A ASN 365.A N HIS 368.A O no hydrogen 3.271 N/A ALA 366.A N ASN 365.A OD1 no hydrogen 2.735 N/A HIS 368.A N ASN 365.A O no hydrogen 3.019 N/A HIS 368.A ND1 GLN 387.A OE1 no hydrogen 2.434 N/A LEU 369.A N LEU 386.A O no hydrogen 2.854 N/A ARG 370.A N LYS 362.A O no hydrogen 3.153 N/A ARG 372.A NH1 GLU 360.A OE1 no hydrogen 2.410 N/A ARG 373.A N VAL 382.A O no hydrogen 2.685 N/A LYS 374.A NZ GLY 379.A O no hydrogen 2.449 N/A ASN 375.A N ASN 380.A O no hydrogen 2.835 N/A VAL 377.A N ASN 375.A OD1 no hydrogen 3.135 N/A THR 378.A N ASN 375.A OD1 no hydrogen 2.699 N/A THR 378.A OG1 ASN 375.A OD1 no hydrogen 2.853 N/A GLY 379.A N ASN 375.A O no hydrogen 2.891 N/A ASN 380.A N THR 378.A OG1 no hydrogen 3.326 N/A VAL 382.A N ARG 373.A O no hydrogen 2.476 N/A MET 384.A N VAL 371.A O no hydrogen 3.062 N/A SER 385.A N LYS 401.A O no hydrogen 2.543 N/A LEU 386.A N LEU 369.A O no hydrogen 2.792 N/A GLN 387.A N ASP 399.A O no hydrogen 3.253 N/A GLN 387.A NE2 LEU 388.A O no hydrogen 3.434 N/A LEU 388.A N TYR 367.A O no hydrogen 3.110 N/A TYR 389.A N LEU 397.A O no hydrogen 2.677 N/A VAL 391.A N SER 395.A O no hydrogen 3.059 N/A SER 395.A OG VAL 391.A O no hydrogen 2.830 N/A TYR 396.A N SER 339.A O no hydrogen 2.702 N/A LEU 397.A N TYR 389.A O no hydrogen 3.101 N/A LEU 398.A N ILE 337.A O no hydrogen 2.999 N/A ASP 399.A N GLN 387.A O no hydrogen 2.783 N/A LYS 401.A N SER 385.A O no hydrogen 2.919 N/A LYS 401.A NZ GLU 161.A OE1 no hydrogen 3.212 N/A ASP 411.A N SER 407.A O no hydrogen 2.912 N/A PHE 412.A N HIS 408.A O no hydrogen 3.312 N/A PHE 413.A N THR 409.A O no hydrogen 2.992 N/A GLU 414.A N MET 410.A O no hydrogen 2.861 N/A MET 415.A N ASP 411.A O no hydrogen 3.096 N/A CYS 416.A N PHE 412.A O no hydrogen 3.104 N/A CYS 416.A SG PHE 412.A O no hydrogen 3.339 N/A ALA 417.A N PHE 413.A O no hydrogen 2.777 N/A SER 418.A N GLU 414.A O no hydrogen 3.470 N/A SER 418.A OG GLU 414.A O no hydrogen 3.444 N/A SER 418.A OG MET 415.A O no hydrogen 3.146 N/A ILE 420.A N CYS 416.A O no hydrogen 2.952 N/A THR 421.A N ALA 417.A O no hydrogen 3.122 N/A THR 421.A OG1 ALA 417.A O no hydrogen 2.637 N/A THR 422.A N SER 418.A O no hydrogen 3.225 N/A THR 422.A OG1 SER 418.A O no hydrogen 2.949 N/A