Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3klh_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 10.A N ASP 121.A OD2 no hydrogen 3.321 N/A LYS 13.A N ARG 83.A O no hydrogen 2.443 N/A MET 16.A N LYS 13.A O no hydrogen 3.046 N/A LYS 20.A NZ ASP 17.A OD2 no hydrogen 3.227 N/A GLN 23.A NE2 TRP 24.A O no hydrogen 3.392 N/A GLN 23.A NE2 VAL 60.A O no hydrogen 2.604 N/A LYS 30.A N THR 27.A O no hydrogen 2.707 N/A LYS 30.A NZ GLU 404.A OE2 no hydrogen 3.369 N/A ILE 31.A N THR 27.A O no hydrogen 2.942 N/A LYS 32.A N GLU 28.A O no hydrogen 2.789 N/A ALA 33.A N GLU 29.A O no hydrogen 3.292 N/A LEU 34.A N LYS 30.A O no hydrogen 2.801 N/A VAL 35.A N ILE 31.A O no hydrogen 2.713 N/A GLU 36.A N LYS 32.A O no hydrogen 3.338 N/A ILE 37.A N ALA 33.A O no hydrogen 3.082 N/A CYS 38.A N LEU 34.A O no hydrogen 3.159 N/A THR 39.A N VAL 35.A O no hydrogen 3.028 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.775 N/A GLU 40.A N GLU 36.A O no hydrogen 3.276 N/A GLU 42.A N CYS 38.A O no hydrogen 3.087 N/A GLU 42.A N THR 39.A O no hydrogen 3.176 N/A LYS 43.A N THR 39.A O no hydrogen 3.103 N/A GLU 44.A N GLU 40.A O no hydrogen 3.196 N/A GLY 45.A N GLU 42.A O no hydrogen 2.990 N/A LYS 46.A N MET 41.A O no hydrogen 2.815 N/A LYS 46.A NZ GLU 44.A OE1 no hydrogen 3.079 N/A LYS 46.A NZ GLU 44.A OE2 no hydrogen 3.393 N/A ILE 47.A N MET 41.A O no hydrogen 3.120 N/A SER 48.A N GLN 145.A O no hydrogen 3.120 N/A LYS 49.A NZ GLU 42.A OE2 no hydrogen 3.198 N/A ILE 50.A N ARG 143.A O no hydrogen 2.992 N/A GLY 51.A N GLU 53.A OE2 no hydrogen 2.573 N/A ASN 54.A ND2 LYS 126.A O no hydrogen 3.205 N/A TYR 56.A N ASN 54.A OD1 no hydrogen 3.216 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 2.726 N/A TYR 56.A OH ASP 17.A OD2 no hydrogen 3.049 N/A ASN 57.A N PRO 19.A O no hydrogen 2.699 N/A ASN 57.A ND2 VAL 21.A O no hydrogen 3.222 N/A THR 58.A OG1 ASN 57.A O no hydrogen 2.740 N/A VAL 60.A N GLN 23.A OE1 no hydrogen 2.913 N/A PHE 61.A N LEU 74.A O no hydrogen 3.029 N/A ILE 63.A N ARG 72.A O no hydrogen 3.220 N/A LYS 64.A NZ THR 69.A O no hydrogen 3.307 N/A LYS 65.A NZ ASP 67.A OD1 no hydrogen 3.400 N/A LYS 66.A N GLN 407.A OE1 no hydrogen 2.663 N/A LYS 70.A N SER 68.A O no hydrogen 2.583 N/A ARG 72.A N ILE 63.A O no hydrogen 3.139 N/A ARG 72.A NE ASP 110.A OD2 no hydrogen 2.932 N/A ARG 72.A NH1 LYS 73.A O no hydrogen 2.799 N/A ARG 72.A NH2 ASP 110.A OD1 no hydrogen 3.368 N/A ARG 72.A NH2 ASP 185.A OD2 no hydrogen 2.600 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 2.512 N/A LEU 74.A N PHE 61.A O no hydrogen 2.849 N/A ASP 76.A N PRO 59.A O no hydrogen 2.742 N/A PHE 77.A N VAL 75.A O no hydrogen 2.823 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 2.623 N/A ARG 78.A NE ASP 76.A OD2 no hydrogen 3.454 N/A ARG 78.A NH1 PRO 412.A O no hydrogen 2.790 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 2.987 N/A ASN 81.A N PHE 77.A O no hydrogen 2.839 N/A ASN 81.A ND2 GLY 152.A O no hydrogen 3.535 N/A LYS 82.A N GLU 79.A O no hydrogen 3.046 N/A LYS 82.A NZ GLU 79.A OE2 no hydrogen 3.237 N/A ARG 83.A N GLU 79.A O no hydrogen 3.132 N/A ARG 83.A NE ASP 17.A O no hydrogen 3.197 N/A ARG 83.A NH1 GLU 79.A OE1 no hydrogen 2.481 N/A THR 84.A OG1 LEU 80.A O no hydrogen 3.129 N/A GLN 85.A N LYS 82.A O no hydrogen 3.394 N/A GLN 85.A NE2 GLU 89.A OE1 no hydrogen 3.170 N/A PHE 87.A N THR 84.A O no hydrogen 3.079 N/A TRP 88.A NE1 ASN 81.A O no hydrogen 3.278 N/A GLN 91.A N ASP 86.A O no hydrogen 3.227 N/A LEU 92.A N PHE 87.A O no hydrogen 3.317 N/A LEU 100.A N PRO 97.A O no hydrogen 3.370 N/A LYS 101.A NZ ALA 98.A O no hydrogen 3.458 N/A LYS 101.A NZ ILE 382.A O no hydrogen 3.252 N/A LYS 102.A N GLY 99.A O no hydrogen 2.949 N/A LYS 103.A NZ GLY 99.A O no hydrogen 3.552 N/A LYS 103.A NZ LYS 102.A O no hydrogen 3.392 N/A LYS 104.A N ASP 192.A OD1 no hydrogen 3.280 N/A LYS 104.A NZ ASP 192.A O no hydrogen 3.240 N/A SER 105.A N SER 191.A O no hydrogen 3.312 N/A VAL 106.A N LEU 234.A O no hydrogen 2.930 N/A THR 107.A N VAL 189.A O no hydrogen 2.735 N/A THR 107.A OG1 HIS 198.A NE2 no hydrogen 2.922 N/A THR 107.A OG1 GLU 233.A OE1 no hydrogen 3.284 N/A LEU 109.A N LEU 187.A O no hydrogen 2.780 N/A TYR 115.A N GLY 112.A O no hydrogen 2.692 N/A TYR 115.A OH MET 184.A O no hydrogen 2.462 N/A PHE 116.A N ASP 113.A O no hydrogen 3.118 N/A SER 117.A OG ALA 114.A O no hydrogen 2.525 N/A VAL 118.A N TYR 115.A O no hydrogen 3.299 N/A LEU 120.A N ASN 147.A O no hydrogen 2.877 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.872 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 2.965 N/A TYR 127.A N PHE 124.A O no hydrogen 3.269 N/A THR 128.A N ARG 125.A O no hydrogen 3.042 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.797 N/A PHE 130.A N TYR 144.A O no hydrogen 3.053 N/A THR 131.A OG1 ASN 57.A OD1 no hydrogen 2.952 N/A ILE 132.A N ILE 142.A O no hydrogen 3.027 N/A SER 134.A OG THR 139.A O no hydrogen 2.931 N/A ASN 137.A N SER 134.A O no hydrogen 2.958 N/A THR 139.A N SER 134.A OG no hydrogen 3.201 N/A ILE 142.A N ILE 132.A O no hydrogen 3.095 N/A ARG 143.A NE THR 131.A OG1 no hydrogen 3.335 N/A ARG 143.A NH1 GLY 51.A O no hydrogen 2.687 N/A ARG 143.A NH1 ASN 54.A O no hydrogen 2.677 N/A ARG 143.A NH2 ASN 54.A O no hydrogen 3.521 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.546 N/A ARG 143.A NH2 ASN 57.A OD1 no hydrogen 3.171 N/A TYR 144.A N PHE 130.A O no hydrogen 3.135 N/A GLN 145.A N SER 48.A O no hydrogen 3.018 N/A TYR 146.A N THR 128.A OG1 no hydrogen 2.947 N/A ASN 147.A N LYS 46.A O no hydrogen 2.980 N/A ASN 147.A ND2 LYS 46.A O no hydrogen 3.601 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.955 N/A LEU 149.A N VAL 118.A O no hydrogen 3.029 N/A GLY 152.A N ASP 185.A OD1 no hydrogen 3.281 N/A LYS 154.A N ASN 81.A OD1 no hydrogen 2.869 N/A SER 156.A N TRP 153.A O no hydrogen 3.046 N/A SER 156.A OG PRO 150.A O no hydrogen 2.621 N/A SER 156.A OG TRP 153.A O no hydrogen 3.560 N/A ILE 159.A N GLY 155.A O no hydrogen 2.914 N/A PHE 160.A N SER 156.A O no hydrogen 2.829 N/A SER 163.A OG PHE 160.A O no hydrogen 3.355 N/A MET 164.A N PHE 160.A O no hydrogen 2.863 N/A THR 165.A N GLN 161.A O no hydrogen 2.794 N/A LYS 166.A N SER 163.A O no hydrogen 3.203 N/A ILE 167.A N SER 163.A O no hydrogen 2.967 N/A LEU 168.A N MET 164.A O no hydrogen 3.193 N/A LYS 172.A N LEU 168.A O no hydrogen 2.948 N/A LYS 173.A N GLU 169.A O no hydrogen 3.107 N/A LYS 173.A N PRO 170.A O no hydrogen 2.836 N/A GLN 174.A N PRO 170.A O no hydrogen 2.963 N/A ILE 178.A N ASN 175.A O no hydrogen 2.970 N/A VAL 179.A N GLY 190.A O no hydrogen 2.997 N/A TYR 181.A N TYR 188.A O no hydrogen 2.753 N/A TYR 183.A N ASP 186.A O no hydrogen 2.989 N/A TYR 183.A OH THR 386.A OG1 no hydrogen 3.177 N/A ASP 186.A N TYR 183.A O no hydrogen 2.939 N/A LEU 187.A N LEU 109.A O no hydrogen 2.946 N/A TYR 188.A N TYR 181.A O no hydrogen 2.692 N/A VAL 189.A N THR 107.A O no hydrogen 2.755 N/A GLY 190.A N VAL 179.A O no hydrogen 2.714 N/A SER 191.A N SER 105.A O no hydrogen 2.764 N/A SER 191.A OG HIS 198.A ND1 no hydrogen 2.412 N/A LEU 193.A N SER 191.A OG no hydrogen 3.282 N/A GLN 197.A N GLU 194.A OE1 no hydrogen 2.954 N/A HIS 198.A N ILE 195.A O no hydrogen 2.992 N/A HIS 198.A ND1 SER 191.A OG no hydrogen 2.412 N/A HIS 198.A NE2 THR 107.A OG1 no hydrogen 2.922 N/A ARG 199.A N ILE 195.A O no hydrogen 2.884 N/A ARG 199.A NE GLU 233.A OE2 no hydrogen 3.200 N/A ARG 199.A NH2 GLU 233.A OE2 no hydrogen 3.299 N/A THR 200.A N GLY 196.A O no hydrogen 3.340 N/A THR 200.A OG1 GLY 196.A O no hydrogen 3.169 N/A LYS 201.A N GLN 197.A O no hydrogen 3.316 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 2.986 N/A ILE 202.A N HIS 198.A O no hydrogen 2.889 N/A GLU 203.A N ARG 199.A O no hydrogen 3.002 N/A GLU 204.A N THR 200.A O no hydrogen 2.786 N/A LEU 205.A N LYS 201.A O no hydrogen 2.963 N/A ARG 206.A N ILE 202.A O no hydrogen 2.964 N/A ARG 206.A NH2 ASP 218.A OD1 no hydrogen 2.596 N/A HIS 208.A N GLU 204.A O no hydrogen 3.066 N/A HIS 208.A NE2 ILE 167.A O no hydrogen 2.576 N/A LEU 209.A N LEU 205.A O no hydrogen 3.064 N/A LEU 210.A N ARG 206.A O no hydrogen 2.883 N/A ARG 211.A N GLN 207.A O no hydrogen 2.780 N/A TRP 212.A N LEU 209.A O no hydrogen 2.670 N/A GLY 213.A N LEU 210.A O no hydrogen 3.440 N/A LEU 214.A N LEU 209.A O no hydrogen 3.265 N/A THR 215.A OG1 ASP 113.A OD1 no hydrogen 3.024 N/A LYS 220.A N ASP 67.A O no hydrogen 3.234 N/A LYS 223.A NZ HIS 221.A O no hydrogen 3.133 N/A LEU 228.A N PRO 226.A O no hydrogen 2.580 N/A TRP 229.A NE1 GLN 222.A O no hydrogen 2.925 N/A MET 230.A N PHE 227.A O no hydrogen 2.897 N/A GLY 231.A N LEU 228.A O no hydrogen 2.868 N/A TYR 232.A OH LYS 220.A O no hydrogen 2.769 N/A LEU 234.A N VAL 106.A O no hydrogen 2.804 N/A GLN 242.A N THR 351.A O no hydrogen 2.991 N/A THR 253.A N ASP 256.A OD2 no hydrogen 3.295 N/A ASN 255.A N LEU 289.A O no hydrogen 3.288 N/A ILE 257.A N THR 253.A O no hydrogen 3.271 N/A GLN 258.A N VAL 254.A O no hydrogen 3.103 N/A LYS 259.A N ASN 255.A O no hydrogen 3.097 N/A LEU 260.A N ASP 256.A O no hydrogen 2.870 N/A VAL 261.A N ILE 257.A O no hydrogen 3.080 N/A VAL 261.A N GLN 258.A O no hydrogen 2.882 N/A GLY 262.A N GLN 258.A O no hydrogen 2.797 N/A LYS 263.A N LYS 259.A O no hydrogen 2.980 N/A LEU 264.A N LEU 260.A O no hydrogen 3.331 N/A ASN 265.A N VAL 261.A O no hydrogen 2.649 N/A ASN 265.A N GLY 262.A O no hydrogen 2.924 N/A TRP 266.A N GLY 262.A O no hydrogen 2.945 N/A ALA 267.A N LYS 263.A O no hydrogen 2.965 N/A SER 268.A N ASN 265.A O no hydrogen 3.065 N/A SER 268.A OG ASN 265.A O no hydrogen 2.826 N/A GLN 269.A N TRP 266.A O no hydrogen 3.041 N/A GLN 269.A NE2 TRP 266.A O no hydrogen 2.913 N/A ILE 270.A N ALA 267.A O no hydrogen 3.214 N/A TYR 271.A N ALA 267.A O no hydrogen 2.987 N/A TYR 271.A OH GLU 312.A O no hydrogen 3.414 N/A LEU 279.A N VAL 276.A O no hydrogen 3.158 N/A SER 280.A N VAL 276.A O no hydrogen 2.846 N/A SER 280.A OG VAL 276.A O no hydrogen 3.092 N/A SER 280.A OG ARG 277.A O no hydrogen 3.069 N/A LYS 281.A N ARG 277.A O no hydrogen 3.307 N/A LYS 281.A NZ SER 280.A OG no hydrogen 3.280 N/A LEU 283.A N SER 280.A O no hydrogen 2.714 N/A THR 286.A OG1 THR 286.A O no hydrogen 2.387 N/A LYS 287.A N GLY 285.A O no hydrogen 2.611 N/A THR 290.A OG1 THR 290.A O no hydrogen 2.697 N/A GLU 291.A N LEU 289.A O no hydrogen 2.697 N/A ILE 293.A N TRP 252.A O no hydrogen 3.090 N/A ALA 299.A N THR 296.A O no hydrogen 3.093 N/A GLU 300.A N THR 296.A O no hydrogen 2.705 N/A GLU 302.A N ALA 299.A O no hydrogen 3.180 N/A ALA 304.A N GLU 300.A O no hydrogen 3.370 N/A GLU 305.A N GLU 302.A O no hydrogen 2.947 N/A ASN 306.A N GLU 302.A O no hydrogen 2.607 N/A ASN 306.A ND2 LYS 275.A O no hydrogen 3.013 N/A ARG 307.A NH1 LEU 246.A O no hydrogen 2.786 N/A ARG 307.A NH2 PRO 247.A O no hydrogen 2.922 N/A GLU 308.A N GLU 305.A O no hydrogen 2.861 N/A ILE 309.A N ASN 306.A O no hydrogen 2.788 N/A ASP 320.A N GLN 343.A OE1 no hydrogen 2.917 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 3.569 N/A LYS 323.A N ASP 320.A O no hydrogen 3.164 N/A LYS 323.A NZ ASP 320.A OD2 no hydrogen 2.727 N/A ILE 326.A N TYR 342.A O no hydrogen 2.855 N/A ALA 327.A N LYS 388.A O no hydrogen 2.981 N/A GLU 328.A N GLN 340.A O no hydrogen 3.014 N/A GLN 330.A N THR 338.A O no hydrogen 3.117 N/A GLN 330.A NE2 THR 338.A OG1 no hydrogen 3.308 N/A GLN 330.A NE2 GLN 340.A OE1 no hydrogen 2.444 N/A LYS 331.A NZ ASP 364.A OD1 no hydrogen 3.018 N/A GLN 332.A N GLN 336.A O no hydrogen 2.964 N/A GLN 332.A NE2 GLN 428.A OE1 no hydrogen 2.843 N/A GLN 336.A N GLY 333.A O no hydrogen 2.725 N/A TRP 337.A N TYR 354.A O no hydrogen 3.308 N/A TRP 337.A NE1 GLN 367.A OE1 no hydrogen 2.915 N/A THR 338.A N GLN 330.A O no hydrogen 3.338 N/A TYR 339.A N GLY 352.A O no hydrogen 2.959 N/A GLN 340.A N GLU 328.A O no hydrogen 3.111 N/A ILE 341.A N LYS 350.A O no hydrogen 2.784 N/A TYR 342.A N ILE 326.A O no hydrogen 3.022 N/A TYR 342.A OH GLU 328.A OE2 no hydrogen 2.594 N/A GLN 343.A NE2 ASP 320.A O no hydrogen 2.557 N/A GLN 343.A NE2 LYS 323.A O no hydrogen 3.651 N/A LEU 349.A N ILE 341.A O no hydrogen 2.603 N/A LYS 350.A N ILE 341.A O no hydrogen 3.138 N/A LYS 350.A NZ THR 240.A O no hydrogen 3.525 N/A GLY 352.A N TYR 339.A O no hydrogen 2.959 N/A TYR 354.A N TRP 337.A O no hydrogen 2.743 N/A ALA 360.A N MET 357.A O no hydrogen 2.988 N/A HIS 361.A ND1 HIS 361.A O no hydrogen 2.742 N/A ASN 363.A ND2 TYR 405.A OH no hydrogen 3.316 N/A LYS 366.A N ASN 363.A OD1 no hydrogen 3.244 N/A GLN 367.A N ASN 363.A O no hydrogen 3.066 N/A LEU 368.A N ASP 364.A O no hydrogen 3.125 N/A THR 369.A N VAL 365.A O no hydrogen 3.135 N/A THR 369.A OG1 LYS 366.A O no hydrogen 3.158 N/A GLU 370.A N LYS 366.A O no hydrogen 3.166 N/A ALA 371.A N GLN 367.A O no hydrogen 2.920 N/A VAL 372.A N LEU 368.A O no hydrogen 2.853 N/A GLN 373.A N THR 369.A O no hydrogen 2.923 N/A GLN 373.A NE2 THR 369.A O no hydrogen 3.620 N/A GLN 373.A NE2 TYR 405.A O no hydrogen 3.309 N/A LYS 374.A N GLU 370.A O no hydrogen 2.814 N/A LYS 374.A NZ GLU 378.A OE2 no hydrogen 3.058 N/A ILE 375.A N ALA 371.A O no hydrogen 2.800 N/A THR 376.A N VAL 372.A O no hydrogen 2.877 N/A THR 376.A OG1 VAL 372.A O no hydrogen 2.628 N/A THR 377.A N GLN 373.A O no hydrogen 2.855 N/A THR 377.A OG1 GLN 373.A O no hydrogen 2.724 N/A GLU 378.A N LYS 374.A O no hydrogen 3.147 N/A SER 379.A N ILE 375.A O no hydrogen 2.949 N/A SER 379.A OG ILE 375.A O no hydrogen 3.164 N/A ILE 380.A N THR 376.A O no hydrogen 2.870 N/A VAL 381.A N THR 377.A O no hydrogen 3.008 N/A ILE 382.A N GLU 378.A O no hydrogen 2.896 N/A TRP 383.A N SER 379.A O no hydrogen 2.860 N/A GLY 384.A N SER 379.A O no hydrogen 3.002 N/A LYS 385.A NZ PRO 321.A O no hydrogen 3.496 N/A LYS 385.A NZ LYS 323.A O no hydrogen 2.956 N/A THR 386.A OG1 TYR 183.A OH no hydrogen 3.177 N/A LYS 388.A N LEU 325.A O no hydrogen 2.520 N/A LYS 388.A NZ GLU 415.A OE2 no hydrogen 3.470 N/A PHE 389.A N GLU 413.A O no hydrogen 2.570 N/A LYS 390.A N ALA 327.A O no hydrogen 3.013 N/A LEU 391.A N GLU 415.A O no hydrogen 2.767 N/A ILE 393.A N LEU 391.A O no hydrogen 2.697 N/A GLN 394.A NE2 ASN 418.A OD1 no hydrogen 3.274 N/A THR 397.A N GLN 394.A O no hydrogen 2.933 N/A TRP 398.A N GLN 394.A O no hydrogen 3.054 N/A GLU 399.A N LYS 395.A O no hydrogen 2.992 N/A THR 400.A N THR 397.A O no hydrogen 3.158 N/A THR 400.A OG1 GLU 396.A O no hydrogen 2.608 N/A TRP 401.A N TRP 398.A O no hydrogen 3.281 N/A TRP 402.A N TRP 398.A O no hydrogen 3.006 N/A GLU 404.A N TRP 401.A O no hydrogen 2.738 N/A TYR 405.A N TRP 402.A O no hydrogen 3.382 N/A TRP 406.A N THR 403.A O no hydrogen 3.221 N/A TRP 406.A NE1 TRP 410.A O no hydrogen 3.014 N/A THR 409.A OG1 ASP 186.A OD1 no hydrogen 3.358 N/A THR 409.A OG1 ASP 186.A OD2 no hydrogen 3.375 N/A GLU 415.A N PHE 389.A O no hydrogen 2.608 N/A VAL 417.A N LEU 391.A O no hydrogen 3.259 N/A THR 419.A OG1 PRO 420.A O no hydrogen 3.247 N/A