Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kli_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N SER 3.A O no hydrogen 2.390 N/A LYS 11.A N GLN 85.A OE1 no hydrogen 3.174 N/A LYS 13.A N ARG 83.A O no hydrogen 2.748 N/A LYS 13.A NZ LYS 82.A O no hydrogen 3.175 N/A MET 16.A N LYS 13.A O no hydrogen 3.087 N/A VAL 21.A N ASN 57.A O no hydrogen 2.807 N/A LYS 30.A NZ ALA 62.A O no hydrogen 3.093 N/A ILE 31.A N THR 27.A O no hydrogen 2.918 N/A LYS 32.A N GLU 28.A O no hydrogen 3.014 N/A ALA 33.A N GLU 29.A O no hydrogen 3.271 N/A LEU 34.A N LYS 30.A O no hydrogen 2.948 N/A VAL 35.A N ILE 31.A O no hydrogen 2.706 N/A GLU 36.A N LYS 32.A O no hydrogen 3.000 N/A ILE 37.A N ALA 33.A O no hydrogen 2.773 N/A CYS 38.A N LEU 34.A O no hydrogen 2.877 N/A CYS 38.A SG LEU 34.A O no hydrogen 3.404 N/A THR 39.A N VAL 35.A O no hydrogen 2.946 N/A THR 39.A OG1 VAL 35.A O no hydrogen 2.765 N/A MET 41.A N ILE 37.A O no hydrogen 3.086 N/A GLU 42.A N CYS 38.A O no hydrogen 3.028 N/A LYS 43.A N THR 39.A O no hydrogen 3.158 N/A LYS 43.A NZ GLU 40.A OE2 no hydrogen 3.497 N/A GLU 44.A N GLU 40.A O no hydrogen 2.943 N/A GLY 45.A N GLU 42.A O no hydrogen 2.743 N/A LYS 46.A N MET 41.A O no hydrogen 2.835 N/A LYS 46.A NZ GLU 44.A OE1 no hydrogen 2.696 N/A LYS 46.A NZ GLU 44.A OE2 no hydrogen 3.475 N/A ILE 47.A N MET 41.A O no hydrogen 3.403 N/A SER 48.A N GLN 145.A O no hydrogen 2.929 N/A ILE 50.A N ARG 143.A O no hydrogen 3.322 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.757 N/A ASN 54.A ND2 TYR 56.A O no hydrogen 3.659 N/A TYR 56.A OH ASP 17.A OD1 no hydrogen 3.016 N/A ASN 57.A N PRO 19.A O no hydrogen 2.906 N/A ASN 57.A ND2 VAL 21.A O no hydrogen 3.255 N/A THR 58.A N ALA 129.A O no hydrogen 2.795 N/A THR 58.A OG1 ALA 129.A O no hydrogen 3.401 N/A PHE 61.A N LEU 74.A O no hydrogen 2.823 N/A ILE 63.A N ARG 72.A O no hydrogen 3.162 N/A LYS 64.A NZ THR 69.A O no hydrogen 2.738 N/A LYS 65.A NZ TYR 232.A OH no hydrogen 3.016 N/A LYS 65.A NZ GLN 407.A O no hydrogen 3.516 N/A SER 68.A N LYS 65.A O no hydrogen 2.979 N/A LYS 70.A N SER 68.A OG no hydrogen 3.033 N/A ARG 72.A N ILE 63.A O no hydrogen 2.889 N/A ARG 72.A NE ASP 110.A OD2 no hydrogen 3.279 N/A LYS 73.A NZ TYR 146.A OH no hydrogen 2.750 N/A LEU 74.A N PHE 61.A O no hydrogen 2.615 N/A ASP 76.A N PRO 59.A O no hydrogen 2.736 N/A ARG 78.A N ASP 76.A OD1 no hydrogen 3.354 N/A ARG 78.A NE ASP 76.A OD1 no hydrogen 2.620 N/A ARG 78.A NE ASP 76.A OD2 no hydrogen 3.078 N/A ARG 78.A NH1 PRO 412.A O no hydrogen 3.019 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 2.573 N/A ASN 81.A N PHE 77.A O no hydrogen 2.891 N/A LYS 82.A N ARG 78.A O no hydrogen 3.111 N/A LYS 82.A NZ GLU 413.A OE1 no hydrogen 3.238 N/A ARG 83.A N GLU 79.A O no hydrogen 2.942 N/A ARG 83.A NE GLU 79.A OE2 no hydrogen 2.704 N/A ARG 83.A NH1 ASP 17.A O no hydrogen 3.041 N/A ARG 83.A NH2 GLU 79.A OE2 no hydrogen 3.298 N/A THR 84.A N ASN 81.A O no hydrogen 3.148 N/A THR 84.A OG1 LEU 80.A O no hydrogen 2.615 N/A GLN 85.A N LYS 11.A O no hydrogen 3.248 N/A HIS 96.A NE2 VAL 381.A O no hydrogen 3.296 N/A LEU 100.A N PRO 97.A O no hydrogen 2.802 N/A LYS 101.A NZ ALA 98.A O no hydrogen 2.859 N/A LYS 102.A N GLY 99.A O no hydrogen 2.713 N/A LYS 103.A N LEU 100.A O no hydrogen 3.512 N/A LYS 103.A NZ ASP 177.A O no hydrogen 2.788 N/A LYS 103.A NZ ASP 192.A OD2 no hydrogen 3.336 N/A LYS 104.A N ASP 192.A OD1 no hydrogen 3.017 N/A SER 105.A N SER 191.A O no hydrogen 3.130 N/A VAL 106.A N LEU 234.A O no hydrogen 2.740 N/A THR 107.A N VAL 189.A O no hydrogen 2.928 N/A THR 107.A OG1 HIS 198.A NE2 no hydrogen 2.951 N/A VAL 108.A N TYR 232.A O no hydrogen 3.354 N/A LEU 109.A N LEU 187.A O no hydrogen 2.706 N/A VAL 111.A N ASP 185.A O no hydrogen 2.802 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 3.146 N/A ALA 114.A N VAL 111.A O no hydrogen 2.765 N/A TYR 115.A OH MET 184.A O no hydrogen 2.950 N/A PHE 116.A N ASP 113.A O no hydrogen 3.173 N/A SER 117.A N ALA 114.A O no hydrogen 3.290 N/A SER 117.A OG ALA 114.A O no hydrogen 2.989 N/A LEU 120.A N ASN 147.A O no hydrogen 2.999 N/A ASP 123.A N ASP 121.A OD1 no hydrogen 2.831 N/A PHE 124.A N ASP 121.A O no hydrogen 2.844 N/A ARG 125.A N ASP 121.A O no hydrogen 3.182 N/A ARG 125.A NE LEU 120.A O no hydrogen 2.707 N/A ARG 125.A NH1 ASN 147.A OD1 no hydrogen 3.534 N/A ARG 125.A NH2 LEU 120.A O no hydrogen 2.681 N/A LYS 126.A NZ ASP 123.A O no hydrogen 3.435 N/A TYR 127.A N PHE 124.A O no hydrogen 3.021 N/A THR 128.A N ARG 125.A O no hydrogen 3.052 N/A THR 128.A OG1 ARG 125.A O no hydrogen 2.592 N/A PHE 130.A N TYR 144.A O no hydrogen 3.036 N/A THR 131.A OG1 ASN 57.A OD1 no hydrogen 2.626 N/A ILE 132.A N ILE 142.A O no hydrogen 2.768 N/A SER 134.A OG THR 139.A OG1 no hydrogen 3.112 N/A ASN 137.A N SER 134.A O no hydrogen 3.160 N/A GLU 138.A N ILE 135.A O no hydrogen 3.259 N/A THR 139.A N SER 134.A OG no hydrogen 3.330 N/A THR 139.A OG1 SER 134.A OG no hydrogen 3.112 N/A THR 139.A OG1 PRO 140.A O no hydrogen 3.031 N/A ILE 142.A N ILE 132.A O no hydrogen 2.877 N/A ARG 143.A NE THR 131.A OG1 no hydrogen 2.979 N/A ARG 143.A NH1 GLY 51.A O no hydrogen 3.383 N/A ARG 143.A NH1 ASN 54.A O no hydrogen 2.731 N/A ARG 143.A NH2 TYR 56.A O no hydrogen 2.430 N/A ARG 143.A NH2 ASN 57.A OD1 no hydrogen 2.792 N/A TYR 144.A N PHE 130.A O no hydrogen 3.174 N/A GLN 145.A N SER 48.A O no hydrogen 2.952 N/A TYR 146.A N THR 128.A OG1 no hydrogen 3.058 N/A ASN 147.A N LYS 46.A O no hydrogen 2.783 N/A ASN 147.A ND2 GLY 45.A O no hydrogen 3.204 N/A ASN 147.A ND2 SER 48.A OG no hydrogen 2.934 N/A LEU 149.A N VAL 118.A O no hydrogen 2.955 N/A GLY 152.A N ASP 185.A OD1 no hydrogen 3.424 N/A TRP 153.A N PRO 150.A O no hydrogen 3.499 N/A TRP 153.A NE1 THR 84.A OG1 no hydrogen 3.334 N/A LYS 154.A NZ THR 84.A O no hydrogen 3.291 N/A SER 156.A N TRP 153.A O no hydrogen 3.154 N/A SER 156.A OG PRO 150.A O no hydrogen 2.569 N/A ILE 159.A N GLY 155.A O no hydrogen 3.022 N/A PHE 160.A N SER 156.A O no hydrogen 3.254 N/A GLN 161.A N PRO 157.A O no hydrogen 2.884 N/A GLN 161.A N ALA 158.A O no hydrogen 3.362 N/A SER 162.A OG ILE 159.A O no hydrogen 3.253 N/A SER 163.A N PHE 160.A O no hydrogen 2.964 N/A MET 164.A N PHE 160.A O no hydrogen 2.988 N/A MET 164.A N GLN 161.A O no hydrogen 3.075 N/A THR 165.A N GLN 161.A O no hydrogen 3.010 N/A THR 165.A OG1 GLN 161.A O no hydrogen 3.387 N/A THR 165.A OG1 SER 162.A O no hydrogen 3.475 N/A ILE 167.A N MET 164.A O no hydrogen 3.000 N/A LEU 168.A N MET 164.A O no hydrogen 3.068 N/A LEU 168.A N THR 165.A O no hydrogen 3.076 N/A LYS 172.A N LEU 168.A O no hydrogen 2.888 N/A LYS 173.A N GLU 169.A O no hydrogen 3.238 N/A GLN 174.A N PRO 170.A O no hydrogen 3.335 N/A ASN 175.A N PHE 171.A O no hydrogen 2.913 N/A ASN 175.A ND2 PHE 171.A O no hydrogen 3.655 N/A VAL 179.A N GLY 190.A O no hydrogen 3.065 N/A TYR 181.A N TYR 188.A O no hydrogen 3.238 N/A TYR 181.A OH GLY 384.A O no hydrogen 3.307 N/A GLN 182.A NE2 MET 184.A O no hydrogen 3.376 N/A TYR 183.A N ASP 186.A O no hydrogen 3.030 N/A ASP 186.A N TYR 183.A O no hydrogen 2.778 N/A LEU 187.A N LEU 109.A O no hydrogen 2.623 N/A TYR 188.A N TYR 181.A O no hydrogen 2.667 N/A VAL 189.A N THR 107.A O no hydrogen 2.829 N/A GLY 190.A N VAL 179.A O no hydrogen 3.069 N/A SER 191.A N SER 105.A O no hydrogen 2.982 N/A SER 191.A OG HIS 198.A ND1 no hydrogen 2.406 N/A LEU 193.A N SER 191.A OG no hydrogen 3.426 N/A GLU 194.A N GLN 197.A OE1 no hydrogen 3.317 N/A GLY 196.A N GLU 194.A OE2 no hydrogen 2.772 N/A HIS 198.A N GLU 194.A O no hydrogen 2.772 N/A HIS 198.A ND1 SER 191.A OG no hydrogen 2.406 N/A HIS 198.A NE2 THR 107.A OG1 no hydrogen 2.951 N/A ARG 199.A N ILE 195.A O no hydrogen 3.317 N/A THR 200.A N GLY 196.A O no hydrogen 3.241 N/A THR 200.A OG1 GLY 196.A O no hydrogen 2.856 N/A LYS 201.A N GLN 197.A O no hydrogen 3.192 N/A LYS 201.A NZ GLN 174.A OE1 no hydrogen 3.508 N/A LYS 201.A NZ ASN 175.A OD1 no hydrogen 2.908 N/A LYS 201.A NZ GLU 204.A OE1 no hydrogen 3.090 N/A ILE 202.A N HIS 198.A O no hydrogen 3.028 N/A GLU 203.A N ARG 199.A O no hydrogen 3.180 N/A GLU 204.A N THR 200.A O no hydrogen 3.029 N/A LEU 205.A N LYS 201.A O no hydrogen 3.141 N/A ARG 206.A N ILE 202.A O no hydrogen 2.715 N/A ARG 206.A NE PRO 217.A O no hydrogen 2.688 N/A ARG 206.A NH2 THR 216.A O no hydrogen 3.395 N/A GLN 207.A N GLU 203.A O no hydrogen 3.119 N/A GLN 207.A NE2 GLN 207.A O no hydrogen 3.080 N/A HIS 208.A N GLU 204.A O no hydrogen 2.983 N/A HIS 208.A NE2 ILE 167.A O no hydrogen 2.660 N/A LEU 209.A N LEU 205.A O no hydrogen 3.005 N/A LEU 210.A N ARG 206.A O no hydrogen 2.809 N/A ARG 211.A N GLN 207.A O no hydrogen 2.895 N/A TRP 212.A N LEU 209.A O no hydrogen 2.709 N/A GLY 213.A N LEU 210.A O no hydrogen 3.356 N/A THR 215.A N ASP 113.A OD1 no hydrogen 3.231 N/A LYS 223.A N HIS 221.A ND1 no hydrogen 2.952 N/A LEU 234.A N VAL 106.A O no hydrogen 2.613 N/A HIS 235.A ND1 LYS 104.A O no hydrogen 2.857 N/A LYS 238.A N HIS 235.A O no hydrogen 3.241 N/A GLN 242.A N THR 351.A O no hydrogen 3.221 N/A GLN 242.A N THR 351.A OG1 no hydrogen 3.301 N/A THR 253.A N ASP 256.A OD2 no hydrogen 3.110 N/A VAL 254.A N GLU 291.A O no hydrogen 3.149 N/A ASN 255.A N LEU 289.A O no hydrogen 3.264 N/A ASP 256.A N THR 253.A OG1 no hydrogen 3.196 N/A ILE 257.A N THR 253.A O no hydrogen 3.249 N/A GLN 258.A N ASN 255.A O no hydrogen 2.842 N/A LYS 259.A N ASN 255.A O no hydrogen 2.848 N/A VAL 261.A N ILE 257.A O no hydrogen 2.951 N/A GLY 262.A N GLN 258.A O no hydrogen 3.006 N/A LYS 263.A NZ VAL 245.A O no hydrogen 2.750 N/A LEU 264.A N LEU 260.A O no hydrogen 3.039 N/A ASN 265.A N VAL 261.A O no hydrogen 2.962 N/A ASN 265.A N GLY 262.A O no hydrogen 3.030 N/A TRP 266.A N GLY 262.A O no hydrogen 3.340 N/A ALA 267.A N LYS 263.A O no hydrogen 3.094 N/A SER 268.A N LEU 264.A O no hydrogen 3.040 N/A SER 268.A OG ASN 265.A O no hydrogen 2.624 N/A GLN 269.A N TRP 266.A O no hydrogen 2.902 N/A GLN 269.A NE2 TRP 266.A O no hydrogen 3.678 N/A ILE 270.A N ALA 267.A O no hydrogen 2.933 N/A TYR 271.A N ALA 267.A O no hydrogen 3.135 N/A GLN 278.A NE2 GLU 298.A O no hydrogen 3.042 N/A LEU 279.A N GLU 302.A OE2 no hydrogen 3.114 N/A SER 280.A N VAL 276.A O no hydrogen 3.008 N/A SER 280.A N ARG 277.A O no hydrogen 3.056 N/A SER 280.A OG VAL 276.A O no hydrogen 3.135 N/A LYS 281.A N ARG 277.A O no hydrogen 3.038 N/A LEU 283.A N SER 280.A O no hydrogen 2.918 N/A LYS 287.A N GLY 285.A O no hydrogen 2.757 N/A GLU 291.A N ALA 288.A O no hydrogen 3.389 N/A LEU 301.A N GLU 298.A O no hydrogen 3.070 N/A LEU 303.A N ALA 299.A O no hydrogen 3.012 N/A ALA 304.A N GLU 300.A O no hydrogen 3.219 N/A GLU 305.A N LEU 301.A O no hydrogen 3.212 N/A ASN 306.A N GLU 302.A O no hydrogen 2.462 N/A ARG 307.A NH1 LEU 246.A O no hydrogen 2.528 N/A ARG 307.A NH2 PRO 247.A O no hydrogen 3.058 N/A GLU 308.A N GLU 305.A O no hydrogen 2.871 N/A ILE 309.A N GLU 305.A O no hydrogen 3.029 N/A LYS 311.A NZ GLU 308.A OE1 no hydrogen 3.116 N/A LYS 311.A NZ GLU 308.A OE2 no hydrogen 2.792 N/A VAL 317.A N VAL 314.A O no hydrogen 3.457 N/A ASP 320.A N GLN 343.A OE1 no hydrogen 2.921 N/A SER 322.A N ASP 320.A OD1 no hydrogen 3.026 N/A SER 322.A OG ASP 320.A OD1 no hydrogen 2.692 N/A SER 322.A OG ASP 320.A OD2 no hydrogen 3.256 N/A LYS 323.A N ASP 320.A O no hydrogen 3.242 N/A LYS 323.A NZ GLU 344.A OE2 no hydrogen 3.535 N/A ILE 326.A N TYR 342.A O no hydrogen 2.756 N/A ALA 327.A N LYS 388.A O no hydrogen 2.859 N/A GLU 328.A N GLN 340.A O no hydrogen 2.970 N/A GLN 330.A N THR 338.A O no hydrogen 2.740 N/A GLN 330.A NE2 THR 338.A OG1 no hydrogen 2.495 N/A GLN 330.A NE2 GLN 340.A OE1 no hydrogen 2.803 N/A LYS 331.A NZ ASP 364.A OD1 no hydrogen 2.840 N/A GLN 332.A N GLN 336.A O no hydrogen 3.037 N/A GLN 332.A NE2 GLN 330.A O no hydrogen 3.633 N/A TRP 337.A N TYR 354.A O no hydrogen 3.253 N/A TRP 337.A NE1 GLN 367.A OE1 no hydrogen 3.101 N/A THR 338.A N GLN 330.A O no hydrogen 3.118 N/A TYR 339.A N GLY 352.A O no hydrogen 3.059 N/A TYR 339.A OH GLU 378.A OE1 no hydrogen 2.679 N/A GLN 340.A N GLU 328.A O no hydrogen 2.903 N/A GLN 340.A NE2 GLN 330.A OE1 no hydrogen 2.571 N/A ILE 341.A N LYS 350.A O no hydrogen 2.880 N/A TYR 342.A N ILE 326.A O no hydrogen 3.029 N/A TYR 342.A OH GLU 328.A OE2 no hydrogen 2.637 N/A GLN 343.A NE2 ASP 320.A O no hydrogen 2.946 N/A GLN 343.A NE2 LYS 323.A O no hydrogen 2.768 N/A LYS 347.A N GLU 344.A O no hydrogen 3.015 N/A LEU 349.A N ILE 341.A O no hydrogen 2.831 N/A LYS 350.A N ILE 341.A O no hydrogen 3.433 N/A THR 351.A OG1 GLN 242.A O no hydrogen 2.731 N/A GLY 352.A N TYR 339.A O no hydrogen 2.820 N/A THR 362.A N HIS 361.A ND1 no hydrogen 2.610 N/A ASN 363.A N HIS 361.A ND1 no hydrogen 3.276 N/A ASN 363.A ND2 TYR 405.A OH no hydrogen 3.038 N/A LYS 366.A N ASN 363.A OD1 no hydrogen 2.814 N/A GLN 367.A N ASN 363.A O no hydrogen 3.384 N/A LEU 368.A N ASP 364.A O no hydrogen 2.828 N/A THR 369.A N VAL 365.A O no hydrogen 2.759 N/A THR 369.A OG1 VAL 365.A O no hydrogen 2.852 N/A GLU 370.A N LYS 366.A O no hydrogen 2.974 N/A ALA 371.A N GLN 367.A O no hydrogen 2.749 N/A VAL 372.A N LEU 368.A O no hydrogen 2.760 N/A GLN 373.A N THR 369.A O no hydrogen 3.124 N/A GLN 373.A NE2 THR 369.A O no hydrogen 3.015 N/A GLN 373.A NE2 TYR 405.A O no hydrogen 3.315 N/A LYS 374.A N GLU 370.A O no hydrogen 3.011 N/A ILE 375.A N ALA 371.A O no hydrogen 2.828 N/A THR 376.A N VAL 372.A O no hydrogen 2.848 N/A THR 376.A OG1 VAL 372.A O no hydrogen 2.682 N/A THR 377.A N GLN 373.A O no hydrogen 2.950 N/A THR 377.A OG1 GLN 373.A O no hydrogen 2.726 N/A GLU 378.A N LYS 374.A O no hydrogen 2.993 N/A SER 379.A N ILE 375.A O no hydrogen 3.152 N/A SER 379.A OG ILE 375.A O no hydrogen 3.021 N/A ILE 380.A N THR 376.A O no hydrogen 3.128 N/A VAL 381.A N THR 377.A O no hydrogen 3.128 N/A ILE 382.A N GLU 378.A O no hydrogen 2.909 N/A TRP 383.A N SER 379.A O no hydrogen 2.796 N/A GLY 384.A N SER 379.A O no hydrogen 2.921 N/A LYS 385.A NZ PRO 321.A O no hydrogen 3.433 N/A LYS 385.A NZ LYS 323.A O no hydrogen 3.120 N/A LYS 388.A N LEU 325.A O no hydrogen 2.868 N/A LYS 388.A NZ TRP 414.A O no hydrogen 3.486 N/A PHE 389.A N GLU 413.A O no hydrogen 2.848 N/A LYS 390.A N ALA 327.A O no hydrogen 2.717 N/A LYS 390.A NZ GLU 328.A OE2 no hydrogen 3.283 N/A LEU 391.A N GLU 415.A O no hydrogen 2.802 N/A LYS 395.A NZ GLU 399.A OE1 no hydrogen 3.136 N/A LYS 395.A NZ GLU 399.A OE2 no hydrogen 3.073 N/A TRP 398.A N GLN 394.A O no hydrogen 3.110 N/A GLU 399.A N LYS 395.A O no hydrogen 3.023 N/A THR 400.A N GLU 396.A O no hydrogen 3.098 N/A THR 400.A OG1 GLU 396.A O no hydrogen 2.402 N/A TRP 401.A N TRP 398.A O no hydrogen 3.319 N/A TRP 402.A N TRP 398.A O no hydrogen 2.994 N/A GLU 404.A N TRP 401.A O no hydrogen 3.019 N/A TYR 405.A N TRP 402.A O no hydrogen 3.123 N/A TRP 406.A NE1 TRP 410.A O no hydrogen 3.126 N/A GLN 407.A N GLN 373.A OE1 no hydrogen 2.833 N/A ALA 408.A N GLN 373.A OE1 no hydrogen 3.097 N/A GLU 415.A N PHE 389.A O no hydrogen 2.798 N/A VAL 417.A N LEU 391.A O no hydrogen 3.037 N/A TRP 426.A N VAL 423.A O no hydrogen 3.046 N/A TYR 427.A N LYS 424.A O no hydrogen 3.155 N/A