Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3klg_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N SER 115.A O no hydrogen 2.723 N/A LYS 11.A NZ LYS 80.A O no hydrogen 3.385 N/A LYS 11.A NZ ARG 81.A O no hydrogen 2.743 N/A MET 14.A N LYS 11.A O no hydrogen 3.113 N/A GLN 21.A NE2 TRP 22.A O no hydrogen 3.574 N/A GLN 21.A NE2 VAL 58.A O no hydrogen 2.804 N/A ILE 29.A N THR 25.A O no hydrogen 2.707 N/A LYS 30.A N GLU 26.A O no hydrogen 2.847 N/A LEU 32.A N LYS 28.A O no hydrogen 2.963 N/A CYS 36.A N LEU 32.A O no hydrogen 3.059 N/A CYS 36.A N VAL 33.A O no hydrogen 2.682 N/A CYS 36.A SG LEU 32.A O no hydrogen 2.992 N/A THR 37.A N VAL 33.A O no hydrogen 2.977 N/A THR 37.A OG1 VAL 33.A O no hydrogen 3.385 N/A GLU 38.A N GLU 34.A O no hydrogen 2.825 N/A GLU 40.A N CYS 36.A O no hydrogen 2.513 N/A LYS 41.A N THR 37.A O no hydrogen 2.631 N/A GLU 42.A N GLU 38.A O no hydrogen 3.145 N/A GLY 43.A N GLU 40.A O no hydrogen 3.040 N/A LYS 44.A N MET 39.A O no hydrogen 2.754 N/A LYS 44.A NZ GLU 42.A OE1 no hydrogen 2.693 N/A ILE 45.A N MET 39.A O no hydrogen 3.013 N/A SER 46.A N GLN 143.A O no hydrogen 3.233 N/A SER 46.A OG ASN 145.A OD1 no hydrogen 2.895 N/A ILE 48.A N ARG 141.A O no hydrogen 3.011 N/A ASN 52.A N GLY 49.A O no hydrogen 3.421 N/A ASN 52.A ND2 TYR 54.A O no hydrogen 3.344 N/A ASN 52.A ND2 LYS 124.A O no hydrogen 3.244 N/A ASN 55.A ND2 VAL 19.A O no hydrogen 3.061 N/A THR 56.A OG1 ASN 55.A O no hydrogen 2.331 N/A VAL 58.A N GLN 21.A OE1 no hydrogen 2.717 N/A PHE 59.A N LEU 72.A O no hydrogen 3.211 N/A ILE 61.A N ARG 70.A O no hydrogen 3.071 N/A LYS 63.A NZ ASP 108.A OD1 no hydrogen 3.052 N/A ARG 70.A N ILE 61.A O no hydrogen 3.331 N/A ARG 70.A NH1 ASP 108.A OD1 no hydrogen 3.100 N/A LYS 71.A NZ TYR 144.A OH no hydrogen 2.367 N/A LEU 72.A N PHE 59.A O no hydrogen 3.021 N/A ASP 74.A N PRO 57.A O no hydrogen 3.205 N/A PHE 75.A N VAL 73.A O no hydrogen 2.605 N/A ASN 79.A N PHE 75.A O no hydrogen 3.226 N/A LYS 80.A NZ GLU 77.A OE1 no hydrogen 3.214 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 3.078 N/A ARG 81.A N LEU 78.A O no hydrogen 3.113 N/A ARG 81.A NH2 GLU 77.A OE2 no hydrogen 2.929 N/A THR 82.A N LEU 78.A O no hydrogen 3.373 N/A GLN 83.A NE2 LYS 80.A O no hydrogen 3.432 N/A PHE 85.A N THR 82.A O no hydrogen 2.936 N/A TRP 86.A N THR 82.A O no hydrogen 3.140 N/A TRP 86.A NE1 ASN 79.A O no hydrogen 3.047 N/A VAL 88.A N ASP 84.A O no hydrogen 3.259 N/A LEU 90.A N PHE 85.A O no hydrogen 3.093 N/A LEU 98.A N PRO 95.A O no hydrogen 2.879 N/A VAL 104.A N LEU 219.A O no hydrogen 2.997 N/A THR 105.A N VAL 187.A O no hydrogen 2.584 N/A LEU 107.A N LEU 185.A O no hydrogen 2.700 N/A TYR 113.A N GLY 110.A O no hydrogen 3.092 N/A LEU 118.A N ASN 145.A O no hydrogen 2.517 N/A ARG 123.A NE LEU 118.A O no hydrogen 2.878 N/A TYR 125.A N PHE 122.A O no hydrogen 3.100 N/A THR 126.A N ARG 123.A O no hydrogen 3.191 N/A THR 126.A OG1 ARG 123.A O no hydrogen 3.200 N/A THR 126.A OG1 THR 126.A O no hydrogen 2.479 N/A PHE 128.A N TYR 142.A O no hydrogen 3.178 N/A THR 129.A OG1 ASN 55.A OD1 no hydrogen 2.774 N/A ILE 130.A N ILE 140.A O no hydrogen 3.101 N/A ASN 135.A N SER 132.A O no hydrogen 3.271 N/A THR 137.A N SER 132.A OG no hydrogen 3.238 N/A ARG 141.A NH1 TYR 54.A O no hydrogen 2.941 N/A ARG 141.A NH2 GLY 49.A O no hydrogen 3.073 N/A ARG 141.A NH2 ASN 52.A O no hydrogen 2.724 N/A TYR 142.A N PHE 128.A O no hydrogen 2.973 N/A GLN 143.A N SER 46.A O no hydrogen 3.397 N/A TYR 144.A N THR 126.A O no hydrogen 3.207 N/A ASN 145.A N LYS 44.A O no hydrogen 3.090 N/A ASN 145.A ND2 SER 46.A OG no hydrogen 2.865 N/A VAL 146.A N LYS 44.A O no hydrogen 3.506 N/A LEU 147.A N VAL 116.A O no hydrogen 2.974 N/A LYS 152.A NZ TYR 181.A OH no hydrogen 3.394 N/A SER 154.A N TRP 151.A O no hydrogen 3.401 N/A SER 154.A OG PRO 148.A O no hydrogen 2.762 N/A ALA 156.A N GLY 153.A O no hydrogen 2.950 N/A ILE 157.A N GLY 153.A O no hydrogen 3.287 N/A ILE 157.A N SER 154.A O no hydrogen 3.215 N/A PHE 158.A N SER 154.A O no hydrogen 3.207 N/A MET 162.A N PHE 158.A O no hydrogen 2.719 N/A THR 163.A N GLN 159.A O no hydrogen 3.422 N/A THR 163.A OG1 SER 160.A O no hydrogen 3.269 N/A ILE 165.A N SER 161.A O no hydrogen 3.237 N/A ILE 165.A N MET 162.A O no hydrogen 3.207 N/A LEU 166.A N MET 162.A O no hydrogen 3.191 N/A LYS 170.A N LEU 166.A O no hydrogen 3.158 N/A LYS 171.A N GLU 167.A O no hydrogen 3.052 N/A GLN 172.A N PRO 168.A O no hydrogen 2.946 N/A GLN 172.A NE2 ASN 173.A OD1 no hydrogen 3.562 N/A ILE 176.A N ASN 173.A O no hydrogen 3.414 N/A VAL 177.A N GLY 188.A O no hydrogen 3.038 N/A TYR 179.A N TYR 186.A O no hydrogen 2.657 N/A GLN 180.A NE2 TYR 113.A OH no hydrogen 2.604 N/A TYR 181.A N ASP 184.A O no hydrogen 3.318 N/A TYR 181.A OH THR 371.A OG1 no hydrogen 2.934 N/A LEU 185.A N LEU 107.A O no hydrogen 2.281 N/A VAL 187.A N THR 105.A O no hydrogen 3.050 N/A GLY 188.A N VAL 177.A O no hydrogen 2.854 N/A SER 189.A N SER 103.A O no hydrogen 2.994 N/A SER 189.A OG HIS 196.A ND1 no hydrogen 2.287 N/A ILE 193.A N GLU 192.A OE1 no hydrogen 3.147 N/A HIS 196.A N ILE 193.A O no hydrogen 3.188 N/A HIS 196.A NE2 THR 105.A OG1 no hydrogen 3.138 N/A ARG 197.A N ILE 193.A O no hydrogen 2.876 N/A THR 198.A OG1 GLY 194.A O no hydrogen 3.514 N/A LYS 199.A N HIS 196.A O no hydrogen 2.586 N/A ILE 200.A N HIS 196.A O no hydrogen 3.114 N/A GLU 201.A N ARG 197.A O no hydrogen 3.507 N/A GLU 202.A N THR 198.A O no hydrogen 3.105 N/A LEU 203.A N ILE 200.A O no hydrogen 2.674 N/A ARG 204.A N ILE 200.A O no hydrogen 2.777 N/A HIS 206.A NE2 ILE 165.A O no hydrogen 2.795 N/A LEU 207.A N LEU 203.A O no hydrogen 3.357 N/A LEU 208.A N ARG 204.A O no hydrogen 2.827 N/A ARG 209.A N GLN 205.A O no hydrogen 3.026 N/A ARG 209.A N HIS 206.A O no hydrogen 3.344 N/A TRP 210.A N LEU 207.A O no hydrogen 2.993 N/A GLY 211.A N LEU 208.A O no hydrogen 3.290 N/A LEU 212.A N LEU 207.A O no hydrogen 3.358 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.611 N/A LYS 223.A N HIS 220.A O no hydrogen 3.101 N/A GLN 227.A N THR 336.A O no hydrogen 3.317 N/A GLN 227.A N THR 336.A OG1 no hydrogen 3.153 N/A THR 238.A OG1 ASP 241.A OD2 no hydrogen 2.401 N/A VAL 239.A N GLU 276.A O no hydrogen 3.222 N/A ASN 240.A N LEU 274.A O no hydrogen 3.226 N/A ASP 241.A N THR 238.A OG1 no hydrogen 3.400 N/A ILE 242.A N THR 238.A O no hydrogen 3.083 N/A GLN 243.A N VAL 239.A O no hydrogen 2.860 N/A GLN 243.A N ASN 240.A O no hydrogen 3.231 N/A LYS 244.A N ASN 240.A O no hydrogen 3.292 N/A LEU 245.A N ASP 241.A O no hydrogen 3.131 N/A VAL 246.A N ILE 242.A O no hydrogen 3.219 N/A VAL 246.A N GLN 243.A O no hydrogen 3.148 N/A GLY 247.A N GLN 243.A O no hydrogen 3.245 N/A LYS 248.A N LYS 244.A O no hydrogen 2.979 N/A LEU 249.A N LEU 245.A O no hydrogen 3.114 N/A ASN 250.A N GLY 247.A O no hydrogen 2.957 N/A TRP 251.A N GLY 247.A O no hydrogen 3.219 N/A ALA 252.A N LYS 248.A O no hydrogen 3.224 N/A SER 253.A N ASN 250.A O no hydrogen 2.799 N/A SER 253.A OG LEU 249.A O no hydrogen 3.020 N/A SER 253.A OG ASN 250.A O no hydrogen 2.895 N/A GLN 254.A N TRP 251.A O no hydrogen 3.059 N/A ILE 255.A N ALA 252.A O no hydrogen 3.201 N/A TYR 256.A N ALA 252.A O no hydrogen 2.909 N/A SER 265.A N VAL 261.A O no hydrogen 3.036 N/A SER 265.A N ARG 262.A O no hydrogen 2.745 N/A SER 265.A OG VAL 261.A O no hydrogen 3.096 N/A LYS 266.A N ARG 262.A O no hydrogen 3.170 N/A LYS 266.A N GLN 263.A O no hydrogen 3.356 N/A LEU 268.A N SER 265.A O no hydrogen 3.092 N/A LYS 272.A NZ ARG 269.A O no hydrogen 3.284 N/A ILE 278.A N TRP 237.A O no hydrogen 3.151 N/A GLU 283.A N GLU 283.A OE1 no hydrogen 2.524 N/A ALA 284.A N THR 281.A OG1 no hydrogen 3.208 N/A GLU 285.A N THR 281.A O no hydrogen 3.377 N/A LEU 286.A N GLU 282.A O no hydrogen 3.170 N/A GLU 287.A N ALA 284.A O no hydrogen 3.159 N/A LEU 288.A N ALA 284.A O no hydrogen 2.782 N/A ASN 291.A N GLU 287.A O no hydrogen 2.746 N/A ASN 291.A ND2 LYS 260.A O no hydrogen 3.182 N/A ARG 292.A N LEU 288.A O no hydrogen 3.417 N/A ARG 292.A NH1 GLU 233.A OE1 no hydrogen 3.391 N/A ARG 292.A NH2 GLU 233.A OE1 no hydrogen 3.261 N/A GLU 293.A N ALA 289.A O no hydrogen 3.261 N/A ILE 294.A N GLU 290.A O no hydrogen 3.312 N/A LEU 295.A N ASN 291.A O no hydrogen 3.065 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.555 N/A SER 307.A N ASP 305.A OD1 no hydrogen 3.358 N/A LYS 308.A NZ GLU 329.A OE1 no hydrogen 3.181 N/A ILE 311.A N TYR 327.A O no hydrogen 3.397 N/A ALA 312.A N LYS 373.A O no hydrogen 2.981 N/A GLU 313.A N GLN 325.A O no hydrogen 3.289 N/A GLN 315.A N THR 323.A O no hydrogen 3.007 N/A LYS 316.A NZ ASP 349.A OD2 no hydrogen 2.818 N/A GLN 317.A NE2 THR 323.A OG1 no hydrogen 2.994 N/A GLN 321.A N GLY 318.A O no hydrogen 2.809 N/A TRP 322.A N TYR 339.A O no hydrogen 3.215 N/A TRP 322.A NE1 GLN 352.A OE1 no hydrogen 3.021 N/A THR 323.A N GLN 315.A O no hydrogen 3.364 N/A THR 323.A OG1 GLN 315.A O no hydrogen 3.375 N/A TYR 324.A OH GLU 363.A OE1 no hydrogen 2.994 N/A GLN 325.A N GLU 313.A O no hydrogen 2.943 N/A GLN 325.A NE2 GLN 315.A OE1 no hydrogen 2.803 N/A TYR 327.A N ILE 311.A O no hydrogen 3.237 N/A TYR 327.A OH GLU 313.A OE1 no hydrogen 3.309 N/A GLN 328.A NE2 LYS 308.A O no hydrogen 3.394 N/A LYS 332.A N GLU 329.A O no hydrogen 2.836 N/A ASN 333.A ND2 GLN 325.A OE1 no hydrogen 3.610 N/A LEU 334.A N ILE 326.A O no hydrogen 2.585 N/A LYS 335.A N ILE 326.A O no hydrogen 3.317 N/A LYS 335.A NZ GLU 363.A OE1 no hydrogen 3.519 N/A THR 336.A OG1 THR 336.A O no hydrogen 2.300 N/A TYR 339.A N TRP 322.A O no hydrogen 2.847 N/A TYR 339.A OH GLU 355.A OE1 no hydrogen 3.259 N/A ARG 341.A NH1 GLN 319.A O no hydrogen 3.287 N/A ARG 341.A NH2 THR 347.A OG1 no hydrogen 2.793 N/A ASN 348.A N HIS 346.A O no hydrogen 2.963 N/A LYS 351.A NZ HIS 346.A ND1 no hydrogen 3.460 N/A GLN 352.A N ASN 348.A O no hydrogen 3.285 N/A GLN 352.A NE2 HIS 346.A O no hydrogen 3.232 N/A LEU 353.A N ASP 349.A O no hydrogen 3.030 N/A THR 354.A N VAL 350.A O no hydrogen 2.915 N/A THR 354.A OG1 VAL 350.A O no hydrogen 3.181 N/A THR 354.A OG1 LYS 351.A O no hydrogen 2.857 N/A GLU 355.A N LYS 351.A O no hydrogen 2.969 N/A ALA 356.A N GLN 352.A O no hydrogen 2.737 N/A VAL 357.A N LEU 353.A O no hydrogen 2.871 N/A GLN 358.A N THR 354.A O no hydrogen 3.217 N/A LYS 359.A N GLU 355.A O no hydrogen 2.838 N/A ILE 360.A N VAL 357.A O no hydrogen 2.945 N/A THR 361.A N VAL 357.A O no hydrogen 2.687 N/A THR 361.A OG1 VAL 357.A O no hydrogen 2.329 N/A THR 362.A N GLN 358.A O no hydrogen 2.909 N/A THR 362.A OG1 GLN 358.A O no hydrogen 2.738 N/A SER 364.A N THR 361.A O no hydrogen 2.609 N/A SER 364.A OG ILE 360.A O no hydrogen 3.155 N/A ILE 365.A N THR 361.A O no hydrogen 3.137 N/A VAL 366.A N THR 362.A O no hydrogen 3.198 N/A ILE 367.A N GLU 363.A O no hydrogen 3.251 N/A TRP 368.A N SER 364.A O no hydrogen 3.046 N/A GLY 369.A N SER 364.A O no hydrogen 2.814 N/A LYS 370.A NZ PRO 306.A O no hydrogen 3.199 N/A THR 371.A OG1 TYR 181.A OH no hydrogen 2.934 N/A LYS 373.A N LEU 310.A O no hydrogen 2.838 N/A PHE 374.A N GLU 398.A O no hydrogen 3.105 N/A LYS 375.A N ALA 312.A O no hydrogen 2.790 N/A LYS 375.A NZ TYR 327.A OH no hydrogen 3.015 N/A LEU 376.A N GLU 400.A O no hydrogen 3.024 N/A ILE 378.A N LEU 376.A O no hydrogen 2.504 N/A THR 382.A OG1 GLN 379.A O no hydrogen 2.826 N/A TRP 383.A N GLN 379.A O no hydrogen 3.179 N/A GLU 384.A N LYS 380.A O no hydrogen 3.161 N/A THR 385.A OG1 GLU 381.A O no hydrogen 2.727 N/A TRP 386.A N TRP 383.A O no hydrogen 3.135 N/A TRP 387.A N TRP 383.A O no hydrogen 2.942 N/A TRP 391.A N THR 388.A O no hydrogen 2.651 N/A TRP 391.A NE1 ALA 393.A O no hydrogen 3.090 N/A GLN 392.A N GLN 358.A OE1 no hydrogen 3.355 N/A THR 394.A OG1 ASP 183.A O no hydrogen 3.176 N/A THR 394.A OG1 ASP 184.A OD1 no hydrogen 2.882 N/A THR 394.A OG1 ASP 184.A OD2 no hydrogen 2.598 N/A GLU 400.A N PHE 374.A O no hydrogen 3.199 N/A