Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kta_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG PHE 5.A O no hydrogen 2.808 N/A LYS 6.A NZ SER 2.A O no hydrogen 2.937 N/A LYS 6.A NZ SER 4.A O no hydrogen 2.579 N/A ALA 7.A N GLU 116.A OE1 no hydrogen 2.949 N/A LEU 10.A N PRO 51.A O no hydrogen 2.616 N/A GLN 11.A N ASP 9.A O no hydrogen 2.196 N/A GLU 13.A N ILE 53.A O no hydrogen 2.805 N/A THR 15.A N HIS 37.A NE2 no hydrogen 2.970 N/A LYS 17.A N THR 15.A OG1 no hydrogen 3.082 N/A HIS 19.A N ASP 36.A OD1 no hydrogen 2.546 N/A LYS 20.A NZ LYS 21.A O no hydrogen 2.929 N/A LYS 32.A N VAL 29.A O no hydrogen 3.416 N/A THR 35.A N LEU 167.A O no hydrogen 3.168 N/A THR 35.A OG1 HIS 37.A O no hydrogen 3.544 N/A THR 35.A OG1 ASP 128.A OD2 no hydrogen 2.922 N/A HIS 37.A N ASP 128.A OD2 no hydrogen 2.866 N/A HIS 37.A ND1 ASP 128.A OD1 no hydrogen 2.703 N/A MET 38.A N GLN 54.A O no hydrogen 2.804 N/A LEU 39.A N VAL 165.A O no hydrogen 2.999 N/A MET 40.A N ARG 52.A O no hydrogen 2.931 N/A VAL 41.A N LEU 163.A O no hydrogen 2.777 N/A TRP 43.A N ALA 161.A O no hydrogen 2.806 N/A ASN 44.A N GLY 47.A O no hydrogen 2.932 N/A LYS 46.A N ASN 44.A OD1 no hydrogen 2.727 N/A GLY 47.A N ASN 44.A O no hydrogen 2.734 N/A TRP 48.A NE1 SER 111.A O no hydrogen 2.792 N/A GLY 49.A N GLU 42.A O no hydrogen 2.762 N/A ARG 52.A N MET 40.A O no hydrogen 2.920 N/A ARG 52.A NH2 GLU 13.A OE1 no hydrogen 3.120 N/A GLN 54.A N MET 38.A O no hydrogen 2.902 N/A PHE 56.A N ASP 36.A O no hydrogen 2.732 N/A ALA 64.A N HIS 62.A ND1 no hydrogen 2.942 N/A SER 65.A N HIS 62.A O no hydrogen 2.798 N/A SER 65.A OG SER 67.A OG no hydrogen 2.743 N/A SER 65.A OG ASN 149.A OD1 no hydrogen 2.800 N/A SER 66.A N GLU 150.A O no hydrogen 3.037 N/A SER 67.A N SER 65.A OG no hydrogen 3.402 N/A SER 67.A OG SER 65.A OG no hydrogen 2.743 N/A LEU 68.A N SER 65.A O no hydrogen 2.905 N/A HIS 69.A NE2 PRO 63.A O no hydrogen 2.729 N/A TYR 70.A N SER 66.A O no hydrogen 3.100 N/A TYR 70.A OH LEU 153.A O no hydrogen 2.553 N/A LEU 74.A N LEU 146.A O no hydrogen 3.038 N/A PHE 75.A N LYS 202.A O no hydrogen 3.129 N/A GLU 76.A N PRO 144.A O no hydrogen 2.965 N/A GLY 77.A N GLU 76.A OE2 no hydrogen 3.097 N/A MET 78.A N VAL 142.A O no hydrogen 3.208 N/A LYS 79.A NZ THR 313.A O no hydrogen 2.885 N/A LYS 79.A NZ ALA 314.A O no hydrogen 3.531 N/A ALA 80.A N LEU 140.A O no hydrogen 2.848 N/A PHE 81.A N ARG 89.A O no hydrogen 2.589 N/A GLY 83.A N GLN 87.A O no hydrogen 2.948 N/A LYS 84.A NZ ASP 134.A O no hydrogen 3.540 N/A GLN 86.A N GLY 83.A O no hydrogen 2.773 N/A GLN 87.A N ASP 85.A OD1 no hydrogen 2.569 N/A ARG 89.A N PHE 81.A O no hydrogen 2.782 N/A LEU 90.A N PHE 363.A O no hydrogen 2.823 N/A PHE 91.A N LYS 79.A O no hydrogen 3.288 N/A ARG 92.A N TRP 361.A O no hydrogen 2.694 N/A ARG 92.A NH1 SER 273.A OG no hydrogen 2.967 N/A ARG 92.A NH1 ASP 276.A OD1 no hydrogen 3.105 N/A LEU 95.A N ARG 92.A O no hydrogen 3.141 N/A ASN 96.A ND2 ARG 92.A O no hydrogen 3.583 N/A MET 97.A N PRO 93.A O no hydrogen 2.998 N/A ASP 98.A N TRP 94.A O no hydrogen 2.883 N/A ARG 99.A N LEU 95.A O no hydrogen 3.000 N/A ARG 99.A NE GLU 76.A OE1 no hydrogen 2.628 N/A ARG 99.A NH1 PRO 267.A O no hydrogen 3.069 N/A ARG 99.A NH2 GLU 76.A OE1 no hydrogen 3.545 N/A ARG 99.A NH2 GLU 76.A OE2 no hydrogen 2.836 N/A MET 100.A N ASN 96.A O no hydrogen 2.960 N/A LEU 101.A N MET 97.A O no hydrogen 3.037 N/A ARG 102.A N ASP 98.A O no hydrogen 3.024 N/A ARG 102.A NH1 ASN 200.A O no hydrogen 3.384 N/A SER 103.A N ARG 99.A O no hydrogen 2.906 N/A SER 103.A OG ARG 99.A O no hydrogen 3.027 N/A ALA 104.A N MET 100.A O no hydrogen 2.901 N/A MET 105.A N LEU 101.A O no hydrogen 3.036 N/A ARG 106.A N ARG 102.A O no hydrogen 3.134 N/A ARG 106.A NH1 ARG 106.A O no hydrogen 2.823 N/A LEU 107.A N SER 103.A O no hydrogen 3.270 N/A LEU 107.A N ALA 104.A O no hydrogen 3.261 N/A CYS 108.A N MET 105.A O no hydrogen 3.204 N/A LEU 109.A N ALA 104.A O no hydrogen 2.819 N/A ASP 113.A N SER 4.A OG no hydrogen 3.015 N/A GLU 116.A N ASP 113.A OD1 no hydrogen 2.792 N/A LEU 117.A N ASP 113.A O no hydrogen 3.113 N/A LEU 118.A N LYS 114.A O no hydrogen 2.965 N/A GLU 119.A N LEU 115.A O no hydrogen 3.025 N/A CYS 120.A N GLU 116.A O no hydrogen 2.903 N/A CYS 120.A SG GLU 116.A O no hydrogen 3.485 N/A ILE 121.A N LEU 117.A O no hydrogen 2.838 N/A ARG 122.A N LEU 118.A O no hydrogen 2.753 N/A ARG 122.A NH1 GLU 119.A OE1 no hydrogen 2.387 N/A ARG 123.A N GLU 119.A O no hydrogen 2.831 N/A LEU 124.A N CYS 120.A O no hydrogen 2.942 N/A ILE 125.A N ILE 121.A O no hydrogen 2.890 N/A GLU 126.A N ARG 122.A O no hydrogen 2.930 N/A VAL 127.A N ARG 123.A O no hydrogen 3.029 N/A ASP 128.A N LEU 124.A O no hydrogen 3.084 N/A LYS 129.A N GLU 126.A O no hydrogen 3.017 N/A TRP 131.A N ASP 128.A O no hydrogen 2.777 N/A TRP 131.A NE1 ASP 36.A OD2 no hydrogen 2.941 N/A VAL 132.A N LYS 129.A O no hydrogen 2.942 N/A THR 138.A N ALA 135.A O no hydrogen 3.175 N/A THR 138.A OG1 ALA 135.A O no hydrogen 2.751 N/A SER 139.A N VAL 170.A O no hydrogen 3.097 N/A LEU 140.A N ALA 80.A O no hydrogen 2.989 N/A TYR 141.A N CYS 168.A O no hydrogen 2.674 N/A VAL 142.A N MET 78.A O no hydrogen 2.773 N/A ARG 143.A N ILE 166.A O no hydrogen 2.909 N/A ARG 143.A NE GLU 76.A O no hydrogen 2.926 N/A ARG 143.A NH2 TYR 141.A OH no hydrogen 2.759 N/A VAL 145.A N PHE 164.A O no hydrogen 2.675 N/A LEU 146.A N LEU 74.A O no hydrogen 3.059 N/A ILE 147.A N LEU 162.A O no hydrogen 2.850 N/A GLY 148.A N LEU 72.A O no hydrogen 2.708 N/A ASN 149.A N ARG 160.A O no hydrogen 2.788 N/A GLU 150.A N SER 66.A OG no hydrogen 3.224 N/A GLY 154.A N SER 152.A OG no hydrogen 3.273 N/A ARG 160.A NH2 GLU 42.A OE1 no hydrogen 2.846 N/A ALA 161.A N TRP 43.A O no hydrogen 2.914 N/A LEU 162.A N ILE 147.A O no hydrogen 2.874 N/A LEU 163.A N VAL 41.A O no hydrogen 2.803 N/A PHE 164.A N VAL 145.A O no hydrogen 2.870 N/A VAL 165.A N LEU 39.A O no hydrogen 2.962 N/A ILE 166.A N ARG 143.A O no hydrogen 3.168 N/A CYS 168.A N TYR 141.A O no hydrogen 2.889 N/A CYS 168.A SG THR 33.A O no hydrogen 3.561 N/A VAL 170.A N SER 139.A O no hydrogen 2.634 N/A GLY 176.A N PHE 174.A O no hydrogen 2.790 N/A THR 180.A OG1 SER 178.A O no hydrogen 3.385 N/A VAL 182.A N PRO 319.A O no hydrogen 2.919 N/A SER 183.A N GLU 223.A OE2 no hydrogen 2.841 N/A SER 183.A OG GLU 223.A OE2 no hydrogen 3.124 N/A LEU 184.A N ARG 322.A O no hydrogen 2.938 N/A LEU 185.A N GLN 224.A O no hydrogen 2.851 N/A ALA 186.A N LEU 324.A O no hydrogen 2.938 N/A ALA 189.A N ASP 187.A OD1 no hydrogen 2.979 N/A PHE 190.A N ASP 187.A O no hydrogen 3.424 N/A VAL 195.A N TYR 229.A OH no hydrogen 3.023 N/A GLY 197.A N TRP 194.A O no hydrogen 2.904 N/A TYR 201.A N VAL 198.A O no hydrogen 3.145 N/A LYS 202.A N SER 103.A OG no hydrogen 3.177 N/A LYS 202.A NZ TYR 207.A OH no hydrogen 3.201 N/A GLY 204.A N GLN 73.A O no hydrogen 3.330 N/A ASN 206.A N LEU 203.A O no hydrogen 2.992 N/A TYR 207.A N GLY 204.A O no hydrogen 2.891 N/A GLY 208.A N GLY 204.A O no hydrogen 3.474 N/A THR 210.A N TYR 207.A O no hydrogen 2.799 N/A THR 210.A OG1 TYR 207.A O no hydrogen 2.638 N/A VAL 211.A N GLY 208.A O no hydrogen 3.262 N/A GLN 214.A N THR 210.A O no hydrogen 2.849 N/A GLN 214.A NE2 GLU 223.A O no hydrogen 2.886 N/A GLN 215.A N VAL 211.A O no hydrogen 3.038 N/A GLU 216.A N LEU 212.A O no hydrogen 3.078 N/A ALA 217.A N VAL 213.A O no hydrogen 3.018 N/A LEU 218.A N GLN 214.A O no hydrogen 3.164 N/A LYS 219.A N GLN 215.A O no hydrogen 2.908 N/A ARG 220.A N GLU 216.A O no hydrogen 2.722 N/A ARG 220.A N ALA 217.A O no hydrogen 3.107 N/A ARG 220.A NE GLU 216.A OE2 no hydrogen 3.175 N/A ARG 220.A NH2 ASP 187.A OD2 no hydrogen 2.518 N/A GLY 221.A N LEU 218.A O no hydrogen 2.679 N/A CYS 222.A N ALA 217.A O no hydrogen 2.714 N/A GLU 223.A N SER 183.A O no hydrogen 2.979 N/A GLU 223.A N SER 183.A OG no hydrogen 3.138 N/A GLN 224.A N SER 183.A O no hydrogen 3.184 N/A LEU 226.A N LEU 185.A O no hydrogen 2.905 N/A TRP 227.A N GLU 237.A O no hydrogen 2.978 N/A TYR 229.A N GLN 234.A O no hydrogen 2.931 N/A HIS 233.A N GLY 230.A O no hydrogen 2.874 N/A HIS 233.A ND1 TYR 325.A OH no hydrogen 2.598 N/A GLN 234.A N TYR 229.A O no hydrogen 2.784 N/A LEU 235.A N ILE 291.A O no hydrogen 2.825 N/A THR 236.A N TRP 227.A O no hydrogen 2.961 N/A THR 236.A OG1 TRP 227.A O no hydrogen 2.618 N/A GLU 237.A N THR 236.A OG1 no hydrogen 2.760 N/A VAL 238.A N MET 241.A O no hydrogen 2.738 N/A ASN 242.A N SER 311.A O no hydrogen 2.955 N/A ASN 242.A ND2 LEU 266.A O no hydrogen 3.551 N/A PHE 244.A N PHE 309.A O no hydrogen 2.829 N/A VAL 245.A N VAL 257.A O no hydrogen 3.034 N/A TYR 246.A N GLU 307.A O no hydrogen 2.751 N/A TRP 247.A N GLU 255.A O no hydrogen 2.978 N/A TRP 247.A NE1 GLU 255.A OE2 no hydrogen 3.079 N/A THR 248.A N ARG 304.A O no hydrogen 3.031 N/A HIS 249.A N VAL 253.A O no hydrogen 3.110 N/A GLY 252.A N HIS 249.A O no hydrogen 3.210 N/A VAL 253.A N ASP 251.A OD2 no hydrogen 3.022 N/A GLU 255.A N TRP 247.A O no hydrogen 2.601 N/A LEU 256.A N ARG 285.A O no hydrogen 2.929 N/A VAL 257.A N VAL 245.A O no hydrogen 2.912 N/A THR 258.A N VAL 287.A O no hydrogen 3.172 N/A THR 258.A OG1 ILE 243.A O no hydrogen 2.620 N/A ASN 262.A N PRO 260.A O no hydrogen 2.834 N/A VAL 264.A N ASN 262.A OD1 no hydrogen 2.954 N/A LEU 266.A N GLU 237.A OE1 no hydrogen 3.059 N/A ARG 271.A NH2 PRO 259.A O no hydrogen 3.001 N/A ARG 271.A NH2 GLU 288.A OE1 no hydrogen 2.705 N/A GLN 272.A N GLY 268.A O no hydrogen 3.019 N/A SER 273.A N VAL 269.A O no hydrogen 2.990 N/A SER 273.A OG VAL 269.A O no hydrogen 2.750 N/A LEU 274.A N VAL 270.A O no hydrogen 2.794 N/A LEU 275.A N ARG 271.A O no hydrogen 2.990 N/A ASP 276.A N GLN 272.A O no hydrogen 2.939 N/A MET 277.A N SER 273.A O no hydrogen 2.913 N/A ALA 278.A N LEU 274.A O no hydrogen 2.927 N/A GLN 279.A N LEU 275.A O no hydrogen 2.754 N/A THR 280.A N ASP 276.A O no hydrogen 2.839 N/A THR 280.A OG1 ASP 276.A O no hydrogen 2.884 N/A TRP 281.A N MET 277.A O no hydrogen 3.032 N/A TRP 281.A NE1 GLU 348.A OE1 no hydrogen 2.934 N/A GLY 282.A N ALA 278.A O no hydrogen 3.331 N/A ARG 285.A NE GLU 255.A OE1 no hydrogen 2.721 N/A ARG 285.A NH1 ASP 251.A OD1 no hydrogen 2.905 N/A ARG 285.A NH2 ASP 251.A OD1 no hydrogen 2.719 N/A ARG 285.A NH2 ASP 251.A OD2 no hydrogen 3.316 N/A ARG 285.A NH2 GLU 255.A OE1 no hydrogen 2.998 N/A VAL 287.A N LEU 256.A O no hydrogen 2.913 N/A ARG 289.A N THR 258.A O no hydrogen 3.037 N/A ARG 289.A NH2 GLU 255.A OE1 no hydrogen 2.727 N/A ARG 289.A NH2 GLU 255.A OE2 no hydrogen 2.853 N/A THR 292.A N GLN 295.A OE1 no hydrogen 2.980 N/A MET 293.A N HIS 233.A O no hydrogen 3.020 N/A GLN 295.A N THR 292.A OG1 no hydrogen 3.074 N/A LEU 296.A N THR 292.A O no hydrogen 3.040 N/A LEU 297.A N MET 293.A O no hydrogen 2.771 N/A ARG 298.A N LYS 294.A O no hydrogen 2.960 N/A ALA 299.A N GLN 295.A O no hydrogen 2.859 N/A LEU 300.A N LEU 296.A O no hydrogen 2.726 N/A GLU 302.A N ALA 299.A O no hydrogen 3.240 N/A ARG 304.A N ALA 299.A O no hydrogen 2.891 N/A ARG 304.A NE THR 248.A O no hydrogen 2.752 N/A ARG 304.A NE HIS 249.A O no hydrogen 3.133 N/A ARG 304.A NH2 THR 248.A O no hydrogen 3.118 N/A ARG 306.A N TYR 246.A O no hydrogen 2.893 N/A GLU 307.A N TYR 246.A O no hydrogen 3.237 N/A VAL 308.A N THR 334.A OG1 no hydrogen 3.176 N/A PHE 309.A N PHE 244.A O no hydrogen 2.993 N/A GLY 310.A N CYS 318.A O no hydrogen 2.933 N/A SER 311.A N ASN 242.A O no hydrogen 2.780 N/A CYS 318.A N GLY 310.A O no hydrogen 2.881 N/A VAL 320.A N VAL 308.A O no hydrogen 3.030 N/A HIS 321.A N VAL 182.A O no hydrogen 3.138 N/A ARG 322.A NH1 ASN 329.A OD1 no hydrogen 2.866 N/A ARG 322.A NH2 GLY 221.A O no hydrogen 2.893 N/A ILE 323.A N LEU 330.A O no hydrogen 3.045 N/A LEU 324.A N LEU 184.A O no hydrogen 2.805 N/A TYR 325.A N ARG 328.A O no hydrogen 2.830 N/A TYR 325.A OH HIS 233.A ND1 no hydrogen 2.598 N/A ARG 328.A N TYR 325.A O no hydrogen 2.947 N/A LEU 330.A N ILE 323.A O no hydrogen 2.846 N/A HIS 331.A NE2 GLU 336.A OE2 no hydrogen 2.615 N/A ILE 332.A N HIS 321.A O no hydrogen 2.777 N/A THR 334.A OG1 VAL 308.A O no hydrogen 3.405 N/A THR 334.A OG1 VAL 320.A O no hydrogen 2.617 N/A GLU 336.A N PRO 333.A O no hydrogen 3.216 N/A ASN 337.A N THR 334.A O no hydrogen 3.046 N/A ASN 337.A ND2 PRO 333.A O no hydrogen 2.760 N/A GLU 340.A N ASN 337.A O no hydrogen 3.031 N/A LEU 341.A N GLU 307.A OE1 no hydrogen 2.750 N/A ILE 342.A N GLU 307.A OE2 no hydrogen 2.844 N/A LEU 343.A N PRO 339.A O no hydrogen 2.619 N/A ARG 344.A N GLU 340.A O no hydrogen 3.072 N/A ARG 344.A NH1 GLU 283.A OE2 no hydrogen 3.402 N/A ARG 344.A NH2 GLU 283.A OE1 no hydrogen 2.656 N/A PHE 345.A N LEU 341.A O no hydrogen 2.922 N/A GLN 346.A N ILE 342.A O no hydrogen 2.884 N/A GLN 346.A NE2 VAL 317.A O no hydrogen 3.004 N/A LYS 347.A N LEU 343.A O no hydrogen 2.788 N/A LYS 347.A NZ GLU 351.A OE2 no hydrogen 2.333 N/A GLU 348.A N ARG 344.A O no hydrogen 2.935 N/A LEU 349.A N PHE 345.A O no hydrogen 2.910 N/A LYS 350.A N GLN 346.A O no hydrogen 2.983 N/A GLU 351.A N LYS 347.A O no hydrogen 3.202 N/A ILE 352.A N GLU 348.A O no hydrogen 3.040 N/A GLN 353.A N LEU 349.A O no hydrogen 2.704 N/A TYR 354.A N LYS 350.A O no hydrogen 2.881 N/A TYR 354.A OH THR 138.A O no hydrogen 2.729 N/A GLY 355.A N ILE 352.A O no hydrogen 3.313 N/A ILE 356.A N GLU 351.A O no hydrogen 3.104 N/A ARG 357.A N GLU 351.A O no hydrogen 3.184 N/A ARG 357.A NE GLU 351.A OE1 no hydrogen 2.972 N/A ARG 357.A NH2 GLU 351.A OE1 no hydrogen 2.853 N/A TRP 361.A N HIS 359.A ND1 no hydrogen 3.100 N/A MET 362.A N HIS 359.A O no hydrogen 3.279 N/A PHE 363.A N LEU 90.A O no hydrogen 2.824 N/A VAL 365.A N VAL 88.A O no hydrogen 2.472 N/A