Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4khz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N PHE 60.A O no hydrogen 2.818 N/A LEU 5.A N LEU 23.A O no hydrogen 2.868 N/A GLN 6.A N ASP 58.A O no hydrogen 2.864 N/A VAL 8.A N ILE 21.A O no hydrogen 3.067 N/A THR 9.A OG1 ASN 7.A O no hydrogen 3.544 N/A THR 9.A OG1 SER 18.A O no hydrogen 3.548 N/A LYS 10.A NZ GLU 52.A OE2 no hydrogen 3.151 N/A LYS 10.A NZ THR 53.A O no hydrogen 3.120 N/A ALA 11.A N THR 55.A OG1 no hydrogen 2.981 N/A TRP 12.A N VAL 15.A O no hydrogen 3.054 N/A VAL 15.A N TRP 12.A O no hydrogen 3.356 N/A SER 18.A OG GLY 209.A O no hydrogen 3.074 N/A LYS 19.A NZ VAL 16.A O no hydrogen 3.488 N/A ILE 21.A N VAL 8.A O no hydrogen 2.970 N/A LEU 23.A N LEU 5.A O no hydrogen 3.239 N/A ILE 25.A N VAL 3.A O no hydrogen 3.160 N/A HIS 26.A N GLU 29.A OE2 no hydrogen 3.054 N/A GLY 28.A N THR 185.A OG1 no hydrogen 3.216 N/A PHE 30.A N ASP 201.A OD2 no hydrogen 3.180 N/A VAL 31.A N MET 186.A O no hydrogen 2.880 N/A VAL 32.A N LYS 202.A O no hydrogen 3.092 N/A PHE 33.A N TYR 188.A O no hydrogen 2.677 N/A VAL 34.A N VAL 204.A O no hydrogen 2.837 N/A CYS 39.A SG PRO 36.A O no hydrogen 3.169 N/A CYS 39.A SG LEU 206.A O no hydrogen 3.615 N/A LYS 41.A NZ GLY 35.A O no hydrogen 3.462 N/A LYS 41.A NZ PRO 36.A O no hydrogen 2.696 N/A SER 42.A OG ASP 157.A OD1 no hydrogen 2.857 N/A SER 42.A OG ASP 157.A OD2 no hydrogen 3.311 N/A LEU 44.A N GLY 40.A O no hydrogen 3.348 N/A LEU 45.A N LYS 41.A O no hydrogen 3.118 N/A ARG 46.A N SER 42.A O no hydrogen 2.684 N/A MET 47.A N THR 43.A O no hydrogen 2.647 N/A ILE 48.A N LEU 44.A O no hydrogen 2.758 N/A ALA 49.A N LEU 45.A O no hydrogen 2.793 N/A GLY 50.A N ARG 46.A O no hydrogen 2.817 N/A LEU 51.A N ARG 46.A O no hydrogen 2.896 N/A GLU 52.A N ARG 46.A O no hydrogen 3.279 N/A THR 55.A N THR 9.A O no hydrogen 2.931 N/A SER 56.A N THR 9.A O no hydrogen 3.235 N/A ASP 58.A N GLN 6.A O no hydrogen 2.890 N/A LEU 59.A N ASN 67.A OD1 no hydrogen 3.026 N/A PHE 60.A N GLN 4.A O no hydrogen 2.903 N/A ILE 61.A N LYS 64.A O no hydrogen 3.103 N/A GLY 62.A N SER 2.A O no hydrogen 3.485 N/A ARG 65.A NE ASP 58.A OD1 no hydrogen 3.078 N/A ARG 65.A NH2 ASP 58.A OD1 no hydrogen 3.461 N/A MET 66.A N LEU 59.A O no hydrogen 2.680 N/A ASN 67.A ND2 GLY 57.A O no hydrogen 2.757 N/A THR 69.A N MET 66.A O no hydrogen 3.231 N/A GLU 73.A N PRO 70.A O no hydrogen 3.150 N/A ARG 74.A NE THR 69.A O no hydrogen 3.091 N/A ARG 74.A NH1 MET 47.A O no hydrogen 3.102 N/A ARG 74.A NH1 ILE 48.A O no hydrogen 2.794 N/A ARG 74.A NH2 THR 69.A O no hydrogen 3.040 N/A GLY 77.A N VAL 153.A O no hydrogen 3.199 N/A VAL 79.A N LEU 155.A O no hydrogen 2.701 N/A TYR 83.A N PHE 80.A O no hydrogen 2.971 N/A TYR 86.A N ASN 94.A OD1 no hydrogen 2.619 N/A LEU 89.A N TYR 86.A O no hydrogen 3.239 N/A SER 90.A N GLU 93.A OE1 no hydrogen 3.205 N/A SER 90.A OG LEU 126.A O no hydrogen 3.524 N/A VAL 91.A N ARG 128.A O no hydrogen 2.965 N/A ALA 92.A N LEU 126.A O no hydrogen 3.030 N/A GLU 93.A N SER 90.A OG no hydrogen 3.267 N/A ASN 94.A N SER 90.A O no hydrogen 2.801 N/A ASN 94.A ND2 TYR 86.A O no hydrogen 3.046 N/A ASN 94.A ND2 SER 90.A O no hydrogen 2.644 N/A MET 95.A N VAL 91.A O no hydrogen 3.094 N/A SER 96.A N ALA 92.A O no hydrogen 3.053 N/A SER 96.A OG ALA 92.A O no hydrogen 2.893 N/A LYS 100.A N SER 96.A O no hydrogen 2.654 N/A LEU 101.A N PHE 97.A O no hydrogen 3.139 N/A ILE 109.A N LYS 105.A O no hydrogen 2.962 N/A ASN 110.A N LYS 106.A O no hydrogen 3.029 N/A GLN 111.A N GLU 107.A O no hydrogen 3.145 N/A ARG 112.A N VAL 108.A O no hydrogen 2.912 N/A ARG 112.A NH1 VAL 148.A O no hydrogen 3.207 N/A VAL 113.A N ILE 109.A O no hydrogen 2.843 N/A ASN 114.A N ASN 110.A O no hydrogen 3.249 N/A GLN 115.A N GLN 111.A O no hydrogen 2.944 N/A VAL 116.A N ARG 112.A O no hydrogen 2.996 N/A ALA 117.A N VAL 113.A O no hydrogen 2.645 N/A GLU 118.A N ASN 114.A O no hydrogen 2.744 N/A VAL 119.A N GLN 115.A O no hydrogen 3.449 N/A LEU 120.A N VAL 116.A O no hydrogen 3.089 N/A LEU 122.A N ALA 117.A O no hydrogen 2.841 N/A LEU 125.A N LEU 122.A O no hydrogen 3.189 N/A ARG 128.A N LEU 125.A O no hydrogen 3.263 N/A ALA 132.A N LYS 129.A O no hydrogen 2.865 N/A SER 134.A N GLN 137.A OE1 no hydrogen 3.063 N/A ARG 138.A N SER 134.A O no hydrogen 2.730 N/A GLN 139.A N GLY 135.A O no hydrogen 2.912 N/A ARG 140.A N GLY 136.A O no hydrogen 3.429 N/A ARG 140.A NE LEU 120.A O no hydrogen 3.154 N/A VAL 141.A N GLN 137.A O no hydrogen 3.153 N/A ALA 142.A N ARG 138.A O no hydrogen 3.466 N/A ILE 143.A N GLN 139.A O no hydrogen 3.105 N/A GLY 144.A N ARG 140.A O no hydrogen 2.879 N/A ARG 145.A N VAL 141.A O no hydrogen 3.039 N/A ARG 145.A NE ASN 94.A O no hydrogen 3.194 N/A ARG 145.A NH1 ALA 84.A O no hydrogen 3.092 N/A ARG 145.A NH2 ALA 84.A O no hydrogen 2.738 N/A ARG 145.A NH2 ASN 94.A OD1 no hydrogen 3.276 N/A THR 146.A OG1 ILE 143.A O no hydrogen 2.627 N/A LEU 147.A N ILE 143.A O no hydrogen 3.068 N/A VAL 148.A N GLY 144.A O no hydrogen 2.707 N/A ALA 149.A N ARG 145.A O no hydrogen 3.102 N/A GLU 150.A N THR 146.A O no hydrogen 2.787 N/A SER 152.A OG GLY 75.A O no hydrogen 2.527 N/A VAL 153.A N GLY 75.A O no hydrogen 3.008 N/A PHE 154.A N THR 185.A O no hydrogen 2.811 N/A LEU 155.A N GLY 77.A O no hydrogen 2.872 N/A LEU 156.A N ILE 187.A O no hydrogen 2.940 N/A ASP 157.A N VAL 79.A O no hydrogen 2.960 N/A GLU 158.A N VAL 189.A O no hydrogen 2.793 N/A SER 161.A N GLU 158.A O no hydrogen 3.439 N/A SER 161.A OG GLU 158.A OE1 no hydrogen 3.419 N/A ARG 168.A N ASP 164.A O no hydrogen 2.562 N/A ARG 168.A NE LEU 160.A O no hydrogen 3.289 N/A VAL 169.A N ALA 165.A O no hydrogen 3.007 N/A GLN 170.A N ALA 166.A O no hydrogen 3.130 N/A MET 171.A N LEU 167.A O no hydrogen 3.168 N/A ARG 172.A N ARG 168.A O no hydrogen 3.404 N/A ARG 172.A NH1 THR 198.A OG1 no hydrogen 3.237 N/A GLU 174.A N GLN 170.A O no hydrogen 3.286 N/A ILE 175.A N MET 171.A O no hydrogen 2.783 N/A SER 176.A N ARG 172.A O no hydrogen 2.979 N/A SER 176.A OG ARG 172.A O no hydrogen 3.425 N/A ARG 177.A N ILE 173.A O no hydrogen 2.983 N/A ARG 177.A NH2 GLU 174.A OE1 no hydrogen 2.677 N/A LEU 178.A N GLU 174.A O no hydrogen 2.785 N/A HIS 179.A N ILE 175.A O no hydrogen 2.778 N/A LYS 180.A N SER 176.A O no hydrogen 3.320 N/A ARG 181.A N ARG 177.A O no hydrogen 3.164 N/A LEU 182.A N LEU 178.A O no hydrogen 3.279 N/A GLY 183.A N HIS 179.A O no hydrogen 2.528 N/A ARG 184.A NE PRO 151.A O no hydrogen 2.792 N/A THR 185.A OG1 ALA 1.A O no hydrogen 2.689 N/A MET 186.A N GLU 29.A O no hydrogen 3.301 N/A ILE 187.A N PHE 154.A O no hydrogen 2.781 N/A TYR 188.A OH GLU 195.A OE1 no hydrogen 3.385 N/A VAL 189.A N LEU 156.A O no hydrogen 2.775 N/A THR 190.A N PHE 33.A O no hydrogen 3.100 N/A THR 190.A OG1 GLU 195.A OE1 no hydrogen 2.929 N/A ASP 192.A N THR 190.A OG1 no hydrogen 3.250 N/A VAL 194.A N ASP 192.A OD1 no hydrogen 2.867 N/A GLU 195.A N ASP 192.A O no hydrogen 3.235 N/A MET 197.A N GLN 193.A O no hydrogen 3.071 N/A THR 198.A OG1 VAL 194.A O no hydrogen 3.282 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.556 N/A LEU 199.A N GLU 195.A O no hydrogen 3.289 N/A ALA 200.A N ALA 196.A O no hydrogen 2.958 N/A ASP 201.A N PHE 30.A O no hydrogen 2.812 N/A LYS 202.A N PHE 30.A O no hydrogen 3.236 N/A LYS 202.A NZ ASP 24.A O no hydrogen 3.061 N/A ILE 203.A N GLY 215.A O no hydrogen 2.698 N/A VAL 204.A N VAL 32.A O no hydrogen 2.855 N/A VAL 205.A N GLN 213.A O no hydrogen 3.021 N/A LEU 206.A N VAL 34.A O no hydrogen 2.717 N/A ASP 207.A N ARG 210.A O no hydrogen 2.703 N/A GLY 209.A N CYS 39.A O no hydrogen 2.763 N/A ARG 210.A N ASP 207.A O no hydrogen 3.096 N/A ALA 212.A N VAL 205.A O no hydrogen 2.688 N/A GLN 213.A NE2 TYR 223.A O no hydrogen 3.111 N/A GLY 215.A N ILE 203.A O no hydrogen 3.132 N/A LEU 220.A N LYS 216.A O no hydrogen 2.994 N/A TYR 221.A N PRO 217.A O no hydrogen 3.092 N/A TYR 221.A OH GLU 287.A OE2 no hydrogen 2.661 N/A TYR 221.A OH HIS 288.A NE2 no hydrogen 2.874 N/A HIS 222.A N LEU 218.A O no hydrogen 2.948 N/A TYR 223.A N GLU 219.A O no hydrogen 2.850 N/A TYR 223.A OH HIS 365.A O no hydrogen 2.877 N/A ALA 225.A N GLN 213.A OE1 no hydrogen 2.835 N/A ARG 227.A N GLY 358.A O no hydrogen 2.942 N/A VAL 229.A N ASP 226.A OD1 no hydrogen 3.095 N/A ALA 230.A N ASP 226.A O no hydrogen 3.119 N/A GLY 231.A N ARG 227.A O no hydrogen 2.879 N/A PHE 232.A N PHE 228.A O no hydrogen 2.851 N/A ILE 233.A N VAL 229.A O no hydrogen 3.261 N/A ASN 239.A N ILE 284.A O no hydrogen 2.986 N/A ASN 239.A ND2 ILE 284.A O no hydrogen 3.443 N/A ASN 239.A ND2 VAL 327.A O no hydrogen 3.026 N/A LEU 241.A N LEU 282.A O no hydrogen 3.004 N/A VAL 243.A N MET 280.A O no hydrogen 2.687 N/A LYS 244.A N GLU 256.A O no hydrogen 2.986 N/A VAL 245.A N ALA 278.A O no hydrogen 2.753 N/A THR 246.A N GLN 254.A O no hydrogen 3.166 N/A ALA 249.A N GLN 252.A O no hydrogen 2.752 N/A VAL 253.A N LEU 267.A O no hydrogen 2.868 N/A GLN 254.A N ALA 247.A O no hydrogen 2.951 N/A GLN 254.A NE2 THR 246.A OG1 no hydrogen 2.871 N/A VAL 255.A N VAL 265.A O no hydrogen 3.139 N/A GLU 256.A N LYS 244.A O no hydrogen 2.559 N/A LEU 257.A N GLN 263.A O no hydrogen 3.034 N/A GLN 263.A N ASN 261.A O no hydrogen 2.658 N/A VAL 265.A N VAL 255.A O no hydrogen 3.153 N/A LEU 267.A N VAL 253.A O no hydrogen 2.618 N/A GLU 270.A N ARG 362.A O no hydrogen 2.644 N/A SER 271.A OG ALA 249.A O no hydrogen 2.681 N/A VAL 274.A N SER 271.A O no hydrogen 3.284 N/A GLY 277.A N VAL 245.A O no hydrogen 2.745 N/A MET 280.A N VAL 243.A O no hydrogen 2.749 N/A SER 281.A N PHE 354.A O no hydrogen 3.105 N/A LEU 282.A N LEU 241.A O no hydrogen 2.738 N/A GLY 283.A N HIS 352.A O no hydrogen 2.881 N/A ILE 284.A N ASN 239.A O no hydrogen 3.071 N/A ARG 285.A NE TYR 221.A O no hydrogen 3.396 N/A ARG 285.A NH1 ALA 230.A O no hydrogen 3.428 N/A ARG 285.A NH1 ILE 233.A O no hydrogen 2.608 N/A ARG 285.A NH2 TYR 221.A O no hydrogen 2.864 N/A HIS 288.A N ARG 285.A O no hydrogen 2.935 N/A LEU 290.A N GLY 345.A O no hydrogen 2.832 N/A ILE 294.A N PRO 291.A O no hydrogen 3.323 N/A LEU 299.A N ILE 344.A O no hydrogen 2.800 N/A GLY 301.A N PHE 342.A O no hydrogen 3.274 N/A GLU 302.A N GLN 318.A O no hydrogen 3.055 N/A VAL 303.A N ALA 340.A O no hydrogen 3.021 N/A GLN 304.A N HIS 316.A O no hydrogen 2.823 N/A VAL 305.A N HIS 316.A O no hydrogen 3.427 N/A GLU 307.A N GLN 314.A O no hydrogen 2.793 N/A GLN 308.A NE2 VAL 334.A O no hydrogen 3.138 N/A LEU 309.A N GLU 312.A O no hydrogen 3.135 N/A ASN 311.A ND2 LEU 309.A O no hydrogen 3.407 N/A THR 313.A N GLN 330.A O no hydrogen 2.762 N/A THR 313.A OG1 GLN 308.A OE1 no hydrogen 3.016 N/A THR 313.A OG1 ASP 332.A O no hydrogen 3.209 N/A GLN 314.A N GLU 307.A O no hydrogen 2.936 N/A ILE 315.A N TYR 328.A O no hydrogen 2.919 N/A HIS 316.A N VAL 305.A O no hydrogen 2.767 N/A HIS 316.A NE2 GLU 307.A OE2 no hydrogen 3.209 N/A ILE 317.A N LEU 326.A O no hydrogen 2.824 N/A GLN 318.A N GLU 302.A O no hydrogen 2.537 N/A GLN 318.A NE2 ILE 319.A O no hydrogen 3.577 N/A SER 321.A N ILE 319.A O no hydrogen 2.698 N/A SER 321.A OG PRO 320.A O no hydrogen 2.564 N/A LEU 326.A N ILE 317.A O no hydrogen 2.840 N/A VAL 327.A N ASN 239.A OD1 no hydrogen 2.929 N/A TYR 328.A N ILE 315.A O no hydrogen 2.640 N/A ARG 329.A NE GLU 312.A OE1 no hydrogen 2.412 N/A ARG 329.A NH2 GLU 312.A OE2 no hydrogen 3.224 N/A GLN 330.A N THR 313.A O no hydrogen 3.108 N/A ASP 332.A N ASN 311.A O no hydrogen 3.041 N/A VAL 333.A N ASP 332.A OD1 no hydrogen 2.811 N/A VAL 334.A N THR 313.A OG1 no hydrogen 3.095 N/A GLY 339.A N VAL 303.A O no hydrogen 2.728 N/A ALA 340.A N GLU 337.A O no hydrogen 3.272 N/A THR 341.A OG1 GLU 300.A OE2 no hydrogen 3.493 N/A PHE 342.A N GLY 301.A O no hydrogen 3.143 N/A ILE 344.A N LEU 299.A O no hydrogen 2.899 N/A GLY 345.A N LEU 290.A O no hydrogen 2.541 N/A LEU 346.A N VAL 297.A O no hydrogen 2.869 N/A GLU 349.A N GLU 349.A OE2 no hydrogen 2.954 N/A ARG 350.A NE GLU 367.A OE2 no hydrogen 2.960 N/A CYS 351.A SG GLY 283.A O no hydrogen 4.010 N/A CYS 351.A SG PRO 347.A O no hydrogen 3.265 N/A HIS 352.A N GLY 283.A O no hydrogen 2.858 N/A HIS 352.A NE2 HIS 222.A O no hydrogen 3.141 N/A PHE 354.A N SER 281.A O no hydrogen 3.060 N/A ARG 355.A N THR 359.A O no hydrogen 2.792 N/A ARG 355.A NE ASP 273.A O no hydrogen 3.021 N/A ARG 355.A NH1 THR 359.A O no hydrogen 3.351 N/A ARG 355.A NH1 ALA 360.A O no hydrogen 3.344 N/A ARG 355.A NH2 ARG 272.A O no hydrogen 2.884 N/A GLU 356.A N GLU 356.A OE1 no hydrogen 2.932 N/A GLY 358.A N ARG 355.A O no hydrogen 3.097 N/A THR 359.A N ASP 357.A OD1 no hydrogen 2.914 N/A THR 359.A OG1 ASP 357.A OD1 no hydrogen 3.089 N/A THR 359.A OG1 ASP 357.A OD2 no hydrogen 3.131 N/A ALA 360.A N ALA 225.A O no hydrogen 3.099 N/A CYS 361.A N LEU 353.A O no hydrogen 2.586 N/A ARG 363.A NE HIS 222.A O no hydrogen 3.254 N/A ARG 363.A NH1 GLU 349.A O no hydrogen 3.008 N/A ARG 363.A NH1 GLU 367.A OE2 no hydrogen 3.328 N/A ARG 363.A NH2 HIS 222.A O no hydrogen 2.994 N/A ARG 363.A NH2 GLU 367.A OE2 no hydrogen 3.035 N/A LEU 364.A N PRO 268.A O no hydrogen 3.134 N/A GLU 367.A N TYR 223.A OH no hydrogen 2.942 N/A