Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kkd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N TYR 22.A O no hydrogen 2.711 N/A CYS 4.A SG LEU 53.A O no hydrogen 3.943 N/A CYS 4.A SG THR 57.A O no hydrogen 3.261 N/A GLY 13.A N PRO 10.A O no hydrogen 3.003 N/A LYS 14.A N SER 31.A O no hydrogen 2.878 N/A LYS 14.A NZ SER 31.A OG no hydrogen 2.573 N/A GLU 16.A N LEU 29.A O no hydrogen 2.841 N/A GLN 19.A N TYR 22.A OH no hydrogen 2.910 N/A LYS 21.A NZ GLU 3.A OE1 no hydrogen 3.475 N/A LYS 21.A NZ GLU 3.A OE2 no hydrogen 3.198 N/A PHE 23.A N ASP 26.A OD2 no hydrogen 2.757 N/A LYS 25.A N CYS 52.A O no hydrogen 2.701 N/A VAL 28.A N ILE 50.A O no hydrogen 2.870 N/A LEU 29.A N GLU 16.A O no hydrogen 2.475 N/A VAL 30.A N PHE 48.A O no hydrogen 2.867 N/A SER 31.A N LYS 14.A O no hydrogen 2.974 N/A ASP 33.A N HIS 12.A O no hydrogen 2.817 N/A TYR 36.A N ASP 33.A O no hydrogen 2.947 N/A LYS 37.A N LYS 66.A O no hydrogen 2.914 N/A LYS 37.A NZ ASP 46.A OD1 no hydrogen 2.868 N/A VAL 38.A N MET 45.A O no hydrogen 2.744 N/A LEU 39.A N THR 64.A O no hydrogen 2.637 N/A LYS 40.A N VAL 43.A O no hydrogen 3.060 N/A LYS 40.A NZ ASP 41.A OD1 no hydrogen 3.393 N/A LYS 40.A NZ ASP 41.A OD2 no hydrogen 3.245 N/A VAL 43.A N LYS 40.A O no hydrogen 2.886 N/A MET 45.A N VAL 38.A O no hydrogen 2.929 N/A PHE 48.A N VAL 30.A O no hydrogen 2.931 N/A ILE 50.A N VAL 28.A O no hydrogen 2.869 N/A GLU 51.A N SER 59.A OG no hydrogen 2.514 N/A CYS 52.A N ASP 26.A O no hydrogen 2.751 N/A CYS 52.A SG LEU 53.A O no hydrogen 3.885 N/A LEU 53.A N THR 57.A O no hydrogen 2.781 N/A GLY 56.A N LEU 53.A O no hydrogen 3.027 N/A THR 57.A OG1 ASP 55.A OD1 no hydrogen 3.106 N/A TRP 58.A NE1 PRO 5.A O no hydrogen 2.921 N/A SER 59.A N GLU 51.A O no hydrogen 2.783 N/A SER 59.A OG GLU 51.A O no hydrogen 2.946 N/A THR 64.A N LEU 39.A O no hydrogen 3.473 N/A LYS 66.A N LYS 37.A O no hydrogen 2.879 N/A LYS 66.A NZ GLU 44.A OE2 no hydrogen 2.563 N/A LYS 66.A NZ ILE 67.A O no hydrogen 3.255 N/A VAL 68.A N GLY 35.A O no hydrogen 2.778 N/A CYS 70.A N THR 90.A O no hydrogen 2.980 N/A CYS 70.A SG SER 118.A O no hydrogen 3.919 N/A ARG 71.A N ASP 69.A OD1 no hydrogen 2.793 N/A GLY 79.A N LEU 76.A O no hydrogen 3.352 N/A LEU 80.A N SER 99.A O no hydrogen 2.692 N/A THR 82.A N LYS 97.A O no hydrogen 2.957 N/A SER 84.A N GLU 95.A O no hydrogen 2.917 N/A SER 84.A OG GLU 95.A O no hydrogen 3.123 N/A ASN 88.A N THR 85.A O no hydrogen 2.895 N/A THR 90.A OG1 ASP 69.A OD1 no hydrogen 2.841 N/A TYR 92.A N VAL 68.A O no hydrogen 2.688 N/A LYS 93.A N CYS 117.A O no hydrogen 2.842 N/A SER 94.A N THR 91.A O no hydrogen 3.007 N/A SER 94.A OG LEU 89.A O no hydrogen 2.447 N/A ILE 96.A N TYR 115.A O no hydrogen 2.641 N/A LYS 97.A N THR 82.A O no hydrogen 2.773 N/A TYR 98.A N GLY 113.A O no hydrogen 2.349 N/A TYR 98.A OH GLY 74.A O no hydrogen 2.297 N/A SER 99.A N LEU 80.A O no hydrogen 3.062 N/A SER 99.A OG CYS 100.A O no hydrogen 3.207 N/A CYS 100.A SG THR 134.A O no hydrogen 3.883 N/A GLN 101.A N HIS 78.A O no hydrogen 2.579 N/A TYR 105.A N GLN 101.A O no hydrogen 2.689 N/A LYS 106.A N LEU 136.A O no hydrogen 2.863 N/A LYS 106.A NZ GLU 138.A OE2 no hydrogen 3.158 N/A LEU 108.A N THR 134.A O no hydrogen 2.986 N/A ASN 111.A N LEU 108.A O no hydrogen 3.219 N/A GLY 113.A N ASN 111.A OD1 no hydrogen 3.385 N/A ILE 114.A N THR 112.A OG1 no hydrogen 3.334 N/A TYR 115.A N ILE 96.A O no hydrogen 2.691 N/A TYR 115.A OH SER 131.A O no hydrogen 2.633 N/A THR 116.A N MET 124.A O no hydrogen 2.880 N/A THR 116.A OG1 SER 94.A O no hydrogen 3.404 N/A CYS 117.A N SER 94.A O no hydrogen 2.873 N/A CYS 117.A SG THR 90.A O no hydrogen 3.318 N/A CYS 117.A SG SER 118.A O no hydrogen 3.934 N/A SER 118.A N VAL 122.A O no hydrogen 3.101 N/A SER 118.A OG GLN 120.A OE1 no hydrogen 2.951 N/A SER 118.A OG VAL 122.A O no hydrogen 3.224 N/A GLN 120.A N SER 118.A OG no hydrogen 3.159 N/A GLY 121.A N SER 118.A O no hydrogen 2.919 N/A TRP 123.A NE1 ARG 71.A O no hydrogen 2.899 N/A MET 124.A N THR 116.A O no hydrogen 2.956 N/A ASN 125.A N GLY 129.A O no hydrogen 3.030 N/A ASN 125.A ND2 ASN 111.A OD1 no hydrogen 3.103 N/A ASN 125.A ND2 ILE 114.A O no hydrogen 3.069 N/A VAL 127.A N ASN 125.A OD1 no hydrogen 3.090 N/A LEU 128.A N ASN 125.A OD1 no hydrogen 2.582 N/A GLY 129.A N ASN 125.A O no hydrogen 2.760 N/A SER 131.A N LEU 128.A O no hydrogen 3.048 N/A LEU 136.A N LYS 106.A O no hydrogen 3.064 N/A GLU 138.A N TYR 104.A O no hydrogen 2.663 N/A GLY 140.A N PRO 266.A O no hydrogen 2.819 N/A SER 143.A OG PRO 262.A O no hydrogen 2.500 N/A ARG 144.A NH1 PRO 153.A O no hydrogen 3.486 N/A LEU 155.A N GLU 152.A O no hydrogen 3.111 N/A GLN 159.A N PHE 156.A O no hydrogen 2.930 N/A GLN 159.A NE2 SER 178.A OG no hydrogen 2.666 N/A GLN 159.A NE2 ALA 286.A O no hydrogen 3.459 N/A ALA 160.A N GLY 179.A O no hydrogen 2.634 N/A LEU 161.A N TYR 214.A O no hydrogen 3.072 N/A ILE 162.A N GLY 177.A O no hydrogen 2.975 N/A VAL 163.A N THR 212.A O no hydrogen 2.996 N/A VAL 164.A N TRP 175.A O no hydrogen 2.974 N/A GLU 165.A N HIS 210.A O no hydrogen 2.760 N/A ASP 166.A N ASP 173.A O no hydrogen 2.672 N/A THR 167.A OG1 HIS 210.A NE2 no hydrogen 3.334 N/A SER 168.A N ASP 166.A OD1 no hydrogen 3.345 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.678 N/A ASN 172.A ND2 GLU 165.A OE1 no hydrogen 3.380 N/A ASP 173.A N ASP 166.A O no hydrogen 2.820 N/A TRP 175.A N VAL 164.A O no hydrogen 3.104 N/A TRP 175.A NE1 VAL 193.A O no hydrogen 2.991 N/A GLY 177.A N ILE 162.A O no hydrogen 2.752 N/A SER 178.A N SER 336.A O no hydrogen 3.181 N/A GLY 179.A N ALA 160.A O no hydrogen 2.872 N/A ALA 180.A N LEU 188.A O no hydrogen 2.851 N/A LEU 181.A N TRP 158.A O no hydrogen 2.730 N/A LEU 182.A N TRP 186.A O no hydrogen 2.798 N/A SER 185.A N SER 183.A OG no hydrogen 3.134 N/A TRP 186.A N SER 183.A O no hydrogen 3.423 N/A ILE 187.A N VAL 252.A O no hydrogen 2.993 N/A LEU 188.A N ALA 180.A O no hydrogen 2.777 N/A THR 189.A N ALA 250.A O no hydrogen 3.019 N/A THR 189.A OG1 SER 178.A O no hydrogen 2.634 N/A ALA 190.A N THR 189.A OG1 no hydrogen 2.771 N/A HIS 192.A N ASP 248.A OD1 no hydrogen 2.817 N/A HIS 192.A ND1 ASP 248.A OD2 no hydrogen 2.941 N/A HIS 192.A NE2 ASP 335.A O no hydrogen 3.079 N/A VAL 193.A N ALA 190.A O no hydrogen 3.124 N/A LEU 194.A N ALA 191.A O no hydrogen 3.013 N/A ARG 195.A NH1 THR 202.A O no hydrogen 3.216 N/A ARG 195.A NH2 THR 202.A O no hydrogen 2.818 N/A SER 196.A N ILE 204.A O no hydrogen 2.672 N/A GLN 197.A NE2 ARG 198.A O no hydrogen 3.580 N/A ARG 198.A NH1 ASP 200.A OD1 no hydrogen 2.504 N/A THR 202.A N ASP 200.A OD1 no hydrogen 3.289 N/A VAL 206.A N LEU 194.A O no hydrogen 2.786 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.656 N/A HIS 210.A N SER 207.A O no hydrogen 2.973 N/A VAL 211.A N LYS 208.A O no hydrogen 3.349 N/A THR 212.A N VAL 163.A O no hydrogen 3.021 N/A VAL 213.A N SER 229.A O no hydrogen 2.865 N/A TYR 214.A N LEU 161.A O no hydrogen 2.971 N/A LEU 215.A N VAL 227.A O no hydrogen 2.675 N/A HIS 218.A ND1 LEU 217.A O no hydrogen 3.131 N/A HIS 218.A NE2 GLU 152.A O no hydrogen 2.492 N/A VAL 220.A N ASP 292.A O no hydrogen 2.895 N/A ARG 221.A N ASP 219.A OD1 no hydrogen 2.942 N/A ARG 221.A NH1 ASP 219.A OD1 no hydrogen 2.524 N/A ASP 222.A N ASP 219.A O no hydrogen 2.755 N/A LYS 223.A NZ VAL 220.A O no hydrogen 3.411 N/A SER 224.A N ASP 222.A OD1 no hydrogen 3.184 N/A VAL 227.A N LEU 215.A O no hydrogen 2.848 N/A SER 229.A N VAL 213.A O no hydrogen 2.931 N/A SER 229.A OG SER 230.A O no hydrogen 2.861 N/A SER 229.A OG GLU 256.A O no hydrogen 3.019 N/A ALA 232.A N GLN 253.A O no hydrogen 2.785 N/A VAL 235.A N LEU 251.A O no hydrogen 2.922 N/A HIS 237.A N ILE 249.A O no hydrogen 2.889 N/A ASP 239.A N HIS 237.A ND1 no hydrogen 3.170 N/A PHE 240.A N HIS 237.A O no hydrogen 2.992 N/A ASN 241.A N ASN 246.A O no hydrogen 3.019 N/A ASN 241.A ND2 ASN 244.A OD1 no hydrogen 1.973 N/A GLN 243.A N ASN 241.A OD1 no hydrogen 3.218 N/A ASN 244.A ND2 ASN 246.A OD1 no hydrogen 2.494 N/A TYR 245.A N ASN 241.A O no hydrogen 2.747 N/A HIS 247.A ND1 TYR 379.A OH no hydrogen 2.710 N/A ALA 250.A N THR 189.A O no hydrogen 3.093 N/A LEU 251.A N VAL 235.A O no hydrogen 2.828 N/A VAL 252.A N ILE 187.A O no hydrogen 2.942 N/A GLN 253.A N ARG 233.A O no hydrogen 2.862 N/A LEU 254.A N SER 185.A O no hydrogen 2.536 N/A GLN 255.A N SER 230.A O no hydrogen 2.939 N/A GLU 256.A N SER 229.A OG no hydrogen 3.385 N/A VAL 258.A N ALA 184.A O no hydrogen 3.054 N/A GLY 261.A N VAL 264.A O no hydrogen 2.702 N/A VAL 264.A N GLY 261.A O no hydrogen 3.435 N/A MET 265.A N PRO 157.A O no hydrogen 3.376 N/A VAL 267.A N LEU 181.A O no hydrogen 2.867 N/A CYS 268.A N TRP 350.A O no hydrogen 3.172 N/A HIS 280.A N VAL 301.A O no hydrogen 2.840 N/A MET 281.A N ALA 278.A O no hydrogen 3.307 N/A GLY 283.A N LEU 299.A O no hydrogen 2.688 N/A LEU 284.A N VAL 341.A O no hydrogen 2.673 N/A VAL 285.A N VAL 297.A O no hydrogen 3.188 N/A GLY 287.A N GLN 295.A O no hydrogen 2.872 N/A SER 291.A N TRP 288.A O no hydrogen 2.955 N/A SER 291.A OG TRP 288.A O no hydrogen 3.292 N/A SER 291.A OG VAL 293.A O no hydrogen 2.577 N/A SER 291.A OG GLN 295.A OE1 no hydrogen 3.489 N/A GLN 295.A N GLY 287.A O no hydrogen 2.931 N/A GLN 295.A NE2 GLY 148.A O no hydrogen 3.091 N/A TYR 296.A N ARG 149.A O no hydrogen 3.169 N/A VAL 297.A N VAL 285.A O no hydrogen 2.943 N/A LEU 299.A N GLY 283.A O no hydrogen 3.001 N/A VAL 301.A N MET 281.A O no hydrogen 2.795 N/A VAL 302.A N CYS 323.A O no hydrogen 2.695 N/A HIS 304.A NE2 THR 318.A O no hydrogen 2.951 N/A HIS 304.A NE2 MET 321.A O no hydrogen 2.884 N/A GLU 306.A N PRO 303.A O no hydrogen 3.136 N/A CYS 307.A N PRO 303.A O no hydrogen 3.302 N/A LYS 308.A N HIS 304.A O no hydrogen 2.994 N/A THR 309.A N ALA 305.A O no hydrogen 2.995 N/A THR 309.A OG1 ALA 305.A O no hydrogen 3.235 N/A THR 309.A OG1 GLU 306.A O no hydrogen 3.196 N/A SER 310.A N GLU 306.A O no hydrogen 3.023 N/A SER 310.A OG GLU 306.A O no hydrogen 3.570 N/A SER 310.A OG CYS 307.A O no hydrogen 2.573 N/A TYR 311.A N CYS 307.A O no hydrogen 3.025 N/A TYR 311.A OH TYR 370.A O no hydrogen 2.650 N/A SER 313.A N SER 310.A O no hydrogen 3.470 N/A SER 313.A OG SER 310.A O no hydrogen 3.497 N/A SER 313.A OG SER 313.A O no hydrogen 2.461 N/A ASN 320.A N THR 318.A OG1 no hydrogen 2.948 N/A MET 321.A N THR 318.A O no hydrogen 3.131 N/A PHE 322.A N TYR 373.A O no hydrogen 3.030 N/A ALA 324.A N GLY 371.A O no hydrogen 2.982 N/A GLY 325.A N PRO 300.A O no hydrogen 3.090 N/A TYR 326.A OH LYS 298.A O no hydrogen 3.046 N/A THR 331.A OG1 LYS 329.A O no hydrogen 3.546 N/A CYS 332.A N ASP 330.A OD2 no hydrogen 3.432 N/A SER 336.A N GLU 338.A OE2 no hydrogen 2.661 N/A SER 336.A OG GLU 338.A OE2 no hydrogen 3.133 N/A PHE 340.A N GLY 354.A O no hydrogen 2.708 N/A VAL 341.A N LEU 284.A O no hydrogen 2.903 N/A ILE 342.A N VAL 351.A O no hydrogen 2.935 N/A ASP 344.A N ARG 349.A O no hydrogen 2.935 N/A SER 347.A N ASP 344.A OD2 no hydrogen 3.186 N/A SER 347.A OG ASP 344.A OD2 no hydrogen 3.054 N/A GLN 348.A NE2 ASP 345.A O no hydrogen 2.085 N/A GLN 348.A NE2 LEU 346.A O no hydrogen 3.462 N/A ARG 349.A N SER 347.A OG no hydrogen 3.139 N/A ARG 349.A NH1 GLU 138.A OE2 no hydrogen 3.320 N/A ARG 349.A NH2 GLU 138.A OE2 no hydrogen 2.636 N/A TRP 350.A N GLY 140.A O no hydrogen 2.816 N/A VAL 351.A N ILE 342.A O no hydrogen 2.883 N/A VAL 352.A N CYS 268.A O no hydrogen 3.058 N/A GLN 353.A N PHE 340.A O no hydrogen 2.716 N/A GLY 354.A N PHE 340.A O no hydrogen 3.194 N/A LEU 355.A N THR 374.A O no hydrogen 3.217 N/A VAL 356.A N GLU 338.A O no hydrogen 3.109 N/A SER 357.A N VAL 372.A O no hydrogen 2.848 N/A SER 357.A OG ASP 248.A OD2 no hydrogen 2.436 N/A TRP 358.A N VAL 372.A O no hydrogen 3.399 N/A GLY 360.A N TYR 311.A OH no hydrogen 2.948 N/A GLU 362.A N GLU 362.A OE1 no hydrogen 2.810 N/A CYS 364.A SG ASP 330.A OD2 no hydrogen 3.159 N/A SER 366.A N GLU 363.A O no hydrogen 2.692 N/A GLN 368.A N TYR 327.A O no hydrogen 2.399 N/A VAL 369.A N SER 366.A O no hydrogen 3.026 N/A TYR 370.A OH GLU 306.A OE2 no hydrogen 2.657 N/A GLY 371.A N ALA 324.A O no hydrogen 2.899 N/A VAL 372.A N TRP 358.A O no hydrogen 2.956 N/A TYR 373.A N PHE 322.A O no hydrogen 2.751 N/A THR 374.A N LEU 355.A O no hydrogen 2.659 N/A THR 374.A OG1 ASP 248.A O no hydrogen 2.637 N/A LYS 375.A N ASN 320.A O no hydrogen 2.929 N/A LYS 375.A NZ PRO 274.A O no hydrogen 2.093 N/A LYS 375.A NZ ASN 378.A OD1 no hydrogen 2.872 N/A VAL 376.A N GLN 353.A O no hydrogen 3.096 N/A SER 377.A OG GLU 273.A O no hydrogen 2.956 N/A SER 377.A OG ASN 378.A OD1 no hydrogen 3.438 N/A ASN 378.A N LYS 375.A O no hydrogen 2.983 N/A ASN 378.A ND2 ASN 320.A OD1 no hydrogen 3.208 N/A TYR 379.A N VAL 376.A O no hydrogen 3.005 N/A TYR 379.A OH HIS 247.A ND1 no hydrogen 2.710 N/A VAL 383.A N TYR 379.A O no hydrogen 2.650 N/A TRP 384.A N VAL 380.A O no hydrogen 2.766 N/A GLU 385.A N ASP 381.A O no hydrogen 2.995 N/A GLN 386.A N TRP 382.A O no hydrogen 3.089 N/A GLN 386.A N VAL 383.A O no hydrogen 3.172 N/A GLN 386.A NE2 TRP 382.A O no hydrogen 3.210 N/A GLN 386.A NE2 GLU 385.A OE2 no hydrogen 3.165 N/A MET 387.A N VAL 383.A O no hydrogen 3.214 N/A LEU 389.A N TRP 384.A O no hydrogen 2.967 N/A