Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kig_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N SER 1.A O no hydrogen 3.167 N/A ARG 6.A N GLU 2.A O no hydrogen 2.911 N/A ARG 7.A N ALA 3.A O no hydrogen 3.249 N/A ARG 7.A NE ASP 11.A OD1 no hydrogen 3.362 N/A ARG 7.A NH2 ASP 11.A OD1 no hydrogen 3.198 N/A ALA 8.A N GLN 4.A O no hydrogen 2.921 N/A VAL 9.A N ALA 5.A O no hydrogen 2.966 N/A ALA 10.A N ARG 6.A O no hydrogen 2.853 N/A ASP 11.A N ARG 7.A O no hydrogen 2.883 N/A ILE 12.A N ALA 8.A O no hydrogen 2.979 N/A PHE 13.A N VAL 9.A O no hydrogen 2.855 N/A ASN 14.A N ALA 10.A O no hydrogen 2.770 N/A SER 15.A N ASP 11.A O no hydrogen 2.758 N/A SER 15.A OG ASP 11.A O no hydrogen 2.664 N/A THR 16.A N ILE 12.A O no hydrogen 3.295 N/A THR 16.A N PHE 13.A O no hydrogen 3.058 N/A THR 16.A OG1 ILE 12.A O no hydrogen 3.011 N/A THR 16.A OG1 PHE 13.A O no hydrogen 3.196 N/A ALA 18.A N ASN 14.A O no hydrogen 2.946 N/A SER 19.A N SER 15.A O no hydrogen 2.616 N/A SER 20.A N THR 16.A O no hydrogen 3.170 N/A ALA 21.A N LEU 17.A O no hydrogen 2.849 N/A ILE 22.A N ALA 18.A O no hydrogen 2.923 N/A ILE 22.A N SER 19.A O no hydrogen 3.234 N/A ALA 24.A N SER 20.A O no hydrogen 3.412 N/A ALA 25.A N ALA 21.A O no hydrogen 2.777 N/A TRP 26.A N ILE 22.A O no hydrogen 3.076 N/A GLU 27.A N GLY 23.A O no hydrogen 2.972 N/A LEU 28.A N ALA 24.A O no hydrogen 2.894 N/A GLY 29.A N ALA 25.A O no hydrogen 3.080 N/A GLY 29.A N TRP 26.A O no hydrogen 2.877 N/A ALA 30.A N ALA 25.A O no hydrogen 2.777 N/A LEU 31.A N ALA 25.A O no hydrogen 3.326 N/A GLU 33.A N GLY 29.A O no hydrogen 3.208 N/A LEU 34.A N ALA 30.A O no hydrogen 2.872 N/A ARG 35.A N LEU 31.A O no hydrogen 2.825 N/A ARG 35.A N ASP 32.A O no hydrogen 2.961 N/A GLU 36.A N ASP 32.A O no hydrogen 3.168 N/A ASN 37.A N GLU 33.A O no hydrogen 3.026 N/A ASN 37.A ND2 GLU 33.A O no hydrogen 3.132 N/A GLY 38.A N LEU 34.A O no hydrogen 3.016 N/A LEU 40.A N VAL 76.A O no hydrogen 2.767 N/A VAL 42.A N ALA 74.A O no hydrogen 3.009 N/A SER 43.A OG GLU 53.A OE1 no hydrogen 3.485 N/A SER 43.A OG GLU 53.A OE2 no hydrogen 3.037 N/A ASP 44.A N ASP 41.A OD2 no hydrogen 2.913 N/A PHE 45.A N ASP 41.A O no hydrogen 2.855 N/A ALA 46.A N VAL 42.A O no hydrogen 2.776 N/A VAL 47.A N SER 43.A O no hydrogen 2.657 N/A ARG 48.A N ASP 44.A O no hydrogen 2.949 N/A ARG 48.A NH1 GLU 33.A OE1 no hydrogen 3.348 N/A ARG 48.A NH1 GLU 33.A OE2 no hydrogen 3.047 N/A ARG 48.A NH2 GLU 33.A OE1 no hydrogen 2.580 N/A HIS 49.A N PHE 45.A O no hydrogen 2.993 N/A HIS 49.A NE2 GLU 33.A OE2 no hydrogen 2.888 N/A ASP 50.A N VAL 47.A O no hydrogen 2.967 N/A LEU 51.A N ALA 46.A O no hydrogen 2.799 N/A VAL 56.A N HIS 52.A O no hydrogen 3.056 N/A VAL 57.A N GLU 53.A O no hydrogen 2.897 N/A GLY 58.A N PRO 54.A O no hydrogen 3.291 N/A MET 59.A N ALA 55.A O no hydrogen 2.854 N/A PHE 60.A N VAL 56.A O no hydrogen 3.156 N/A THR 61.A N VAL 57.A O no hydrogen 2.884 N/A THR 61.A OG1 VAL 57.A O no hydrogen 2.301 N/A ALA 62.A N GLY 58.A O no hydrogen 2.763 N/A LEU 63.A N MET 59.A O no hydrogen 3.078 N/A ALA 64.A N PHE 60.A O no hydrogen 2.625 N/A SER 65.A N THR 61.A O no hydrogen 2.609 N/A SER 65.A OG ALA 62.A O no hydrogen 2.705 N/A GLY 67.A N ALA 64.A O no hydrogen 3.153 N/A ILE 68.A N LEU 63.A O no hydrogen 3.302 N/A ARG 70.A N VAL 77.A O no hydrogen 2.813 N/A GLU 72.A N THR 75.A O no hydrogen 2.710 N/A THR 75.A N GLU 72.A O no hydrogen 2.878 N/A VAL 76.A N LEU 40.A O no hydrogen 2.920 N/A VAL 77.A N ARG 70.A O no hydrogen 2.775 N/A VAL 78.A N GLY 38.A O no hydrogen 3.363 N/A GLY 79.A N ILE 68.A O no hydrogen 2.877 N/A TYR 81.A N GLY 67.A O no hydrogen 3.112 N/A PHE 82.A N GLY 79.A O no hydrogen 2.925 N/A ALA 85.A N TYR 81.A O no hydrogen 3.093 N/A ASN 86.A N PHE 82.A O no hydrogen 2.863 N/A HIS 87.A N ASP 83.A O no hydrogen 2.722 N/A HIS 88.A N GLU 84.A O no hydrogen 3.075 N/A HIS 88.A ND1 TYR 138.A OH no hydrogen 2.659 N/A ARG 89.A N ASN 86.A O no hydrogen 3.116 N/A ARG 89.A NH1 ASP 32.A OD1 no hydrogen 2.956 N/A ARG 89.A NH1 ASN 86.A OD1 no hydrogen 2.771 N/A ARG 89.A NH2 GLU 133.A OE1 no hydrogen 3.186 N/A LEU 91.A N HIS 88.A O no hydrogen 3.052 N/A HIS 93.A N ARG 89.A O no hydrogen 3.074 N/A HIS 93.A NE2 GLU 27.A OE1 no hydrogen 2.878 N/A TRP 94.A N SER 90.A O no hydrogen 3.046 N/A LEU 95.A N LEU 91.A O no hydrogen 2.979 N/A ASN 96.A N PHE 92.A O no hydrogen 2.797 N/A ASN 96.A ND2 SER 19.A OG no hydrogen 3.095 N/A ASN 96.A ND2 PHE 92.A O no hydrogen 3.079 N/A GLN 97.A NE2 SER 20.A O no hydrogen 3.021 N/A GLY 98.A N HIS 93.A O no hydrogen 2.807 N/A SER 99.A OG TRP 94.A O no hydrogen 3.006 N/A GLY 100.A N ASN 96.A O no hydrogen 2.668 N/A LEU 102.A N SER 99.A O no hydrogen 3.037 N/A PHE 103.A N SER 99.A O no hydrogen 3.377 N/A ARG 104.A N GLY 100.A O no hydrogen 2.914 N/A ARG 104.A NE GLU 101.A OE2 no hydrogen 2.550 N/A ARG 104.A NH2 GLU 101.A OE1 no hydrogen 2.932 N/A ARG 104.A NH2 GLU 101.A OE2 no hydrogen 3.296 N/A ARG 105.A N GLU 101.A O no hydrogen 3.207 N/A ARG 105.A N LEU 102.A O no hydrogen 3.247 N/A MET 106.A N PHE 103.A O no hydrogen 3.093 N/A GLN 108.A N ARG 105.A O no hydrogen 2.740 N/A VAL 109.A N ARG 105.A O no hydrogen 2.767 N/A VAL 109.A N MET 106.A O no hydrogen 3.251 N/A LEU 110.A N MET 106.A O no hydrogen 3.040 N/A ASN 114.A N PRO 111.A O no hydrogen 2.978 N/A ASN 114.A ND2 GLN 108.A O no hydrogen 2.735 N/A ARG 115.A N ASN 112.A O no hydrogen 3.197 N/A ARG 115.A NE VAL 109.A O no hydrogen 3.092 N/A ARG 115.A NH2 ASP 291.A O no hydrogen 3.294 N/A ARG 115.A NH2 MET 292.A O no hydrogen 2.580 N/A LYS 118.A NZ GLN 121.A OE1 no hydrogen 2.733 N/A ARG 122.A NE SER 99.A OG no hydrogen 3.227 N/A ARG 122.A NH2 SER 99.A OG no hydrogen 3.098 N/A ASP 123.A N GLY 98.A O no hydrogen 3.228 N/A ALA 126.A N ASP 123.A OD1 no hydrogen 2.936 N/A ILE 127.A N ASP 123.A O no hydrogen 2.940 N/A SER 128.A N ALA 124.A O no hydrogen 3.044 N/A SER 128.A OG GLY 125.A O no hydrogen 3.143 N/A TYR 129.A N GLY 125.A O no hydrogen 3.028 N/A ALA 130.A N ALA 126.A O no hydrogen 2.966 N/A CYS 131.A N ILE 127.A O no hydrogen 2.800 N/A ARG 132.A N SER 128.A O no hydrogen 3.079 N/A ARG 132.A NE GLU 136.A OE1 no hydrogen 3.229 N/A ARG 132.A NH2 GLU 166.A OE1 no hydrogen 3.270 N/A ILE 134.A N ALA 130.A O no hydrogen 2.827 N/A SER 135.A N CYS 131.A O no hydrogen 2.910 N/A GLU 136.A N ARG 132.A O no hydrogen 3.199 N/A ARG 137.A N GLU 133.A O no hydrogen 2.828 N/A ARG 137.A NH1 HIS 87.A O no hydrogen 3.024 N/A TYR 138.A N ILE 134.A O no hydrogen 3.090 N/A TYR 138.A OH HIS 88.A ND1 no hydrogen 2.659 N/A PHE 139.A N SER 135.A O no hydrogen 3.231 N/A ASP 140.A N SER 135.A O no hydrogen 2.973 N/A PHE 143.A N PHE 139.A O no hydrogen 2.973 N/A TRP 144.A N ASP 140.A O no hydrogen 2.801 N/A ALA 145.A N PRO 141.A O no hydrogen 3.024 N/A ALA 146.A N ALA 142.A O no hydrogen 3.067 N/A VAL 147.A N PHE 143.A O no hydrogen 3.037 N/A ASP 148.A N TRP 144.A O no hydrogen 2.681 N/A GLY 149.A N ALA 145.A O no hydrogen 3.266 N/A GLY 149.A N ALA 146.A O no hydrogen 3.273 N/A LEU 150.A N VAL 147.A O no hydrogen 3.394 N/A TYR 152.A OH ASP 229.A O no hydrogen 2.542 N/A THR 155.A N ASP 229.A OD1 no hydrogen 2.999 N/A THR 155.A N ASP 229.A OD2 no hydrogen 2.945 N/A THR 155.A OG1 ASP 229.A OD2 no hydrogen 2.547 N/A THR 156.A N ASP 229.A OD1 no hydrogen 3.036 N/A VAL 157.A N ARG 179.A O no hydrogen 3.056 N/A ALA 158.A N LEU 230.A O no hydrogen 3.058 N/A ASP 159.A N LEU 181.A O no hydrogen 2.945 N/A LEU 160.A N THR 232.A O no hydrogen 2.799 N/A GLY 161.A N VAL 183.A O no hydrogen 2.671 N/A SER 162.A N VAL 183.A O no hydrogen 3.109 N/A GLY 163.A N ASP 184.A OD2 no hydrogen 2.697 N/A GLY 165.A N SER 162.A O no hydrogen 2.859 N/A GLU 166.A N SER 164.A OG no hydrogen 3.424 N/A ARG 167.A NH2 SER 135.A OG no hydrogen 2.868 N/A ILE 169.A N GLY 165.A O no hydrogen 3.098 N/A GLN 170.A N GLU 166.A O no hydrogen 2.973 N/A GLN 170.A NE2 GLU 166.A OE2 no hydrogen 3.412 N/A ILE 171.A N ARG 167.A O no hydrogen 3.024 N/A ALA 172.A N LEU 168.A O no hydrogen 2.895 N/A ARG 173.A N ILE 169.A O no hydrogen 2.998 N/A ARG 174.A N GLN 170.A O no hydrogen 2.948 N/A PHE 175.A N ILE 171.A O no hydrogen 3.025 N/A VAL 178.A N PHE 175.A O no hydrogen 3.071 N/A ARG 179.A N THR 155.A O no hydrogen 2.944 N/A ARG 179.A NH2 GLN 205.A O no hydrogen 3.360 N/A GLY 180.A N GLN 205.A O no hydrogen 2.861 N/A LEU 181.A N VAL 157.A O no hydrogen 2.773 N/A GLY 182.A N SER 207.A O no hydrogen 2.905 N/A VAL 183.A N ASP 159.A O no hydrogen 2.846 N/A ASP 184.A N VAL 209.A O no hydrogen 3.032 N/A ALA 186.A N ASP 184.A OD1 no hydrogen 2.820 N/A ILE 190.A N ALA 186.A O no hydrogen 3.237 N/A ALA 191.A N ASP 187.A O no hydrogen 3.198 N/A MET 192.A N GLY 188.A O no hydrogen 2.896 N/A ALA 193.A N ALA 189.A O no hydrogen 2.891 N/A GLU 194.A N ILE 190.A O no hydrogen 2.942 N/A LYS 195.A N ALA 191.A O no hydrogen 3.046 N/A GLU 196.A N MET 192.A O no hydrogen 2.886 N/A VAL 197.A N ALA 193.A O no hydrogen 2.643 N/A ALA 198.A N GLU 194.A O no hydrogen 3.018 N/A ALA 199.A N LYS 195.A O no hydrogen 2.768 N/A LYS 200.A N GLU 196.A O no hydrogen 3.169 N/A LYS 200.A N VAL 197.A O no hydrogen 3.097 N/A LYS 200.A NZ GLU 166.A OE1 no hydrogen 2.977 N/A GLY 201.A N ALA 198.A O no hydrogen 3.046 N/A PHE 202.A N VAL 197.A O no hydrogen 3.164 N/A GLN 205.A N PHE 202.A O no hydrogen 2.707 N/A GLN 205.A NE2 PRO 176.A O no hydrogen 3.069 N/A GLN 205.A NE2 VAL 178.A O no hydrogen 2.898 N/A ILE 206.A N PHE 202.A O no hydrogen 2.950 N/A SER 207.A N GLY 180.A O no hydrogen 2.807 N/A VAL 209.A N GLY 182.A O no hydrogen 2.773 N/A ARG 210.A NH1 ILE 185.A O no hydrogen 3.268 N/A GLY 211.A N ASP 184.A O no hydrogen 2.753 N/A ARG 214.A N ASP 212.A OD1 no hydrogen 2.707 N/A ARG 214.A NE ASP 212.A OD1 no hydrogen 3.016 N/A ARG 214.A NE ASP 212.A OD2 no hydrogen 3.448 N/A ARG 214.A NH1 ASP 239.A O no hydrogen 3.186 N/A ARG 214.A NH2 ASP 212.A OD2 no hydrogen 2.895 N/A THR 215.A N ASP 212.A O no hydrogen 3.018 N/A THR 215.A OG1 ASP 212.A O no hydrogen 3.561 N/A ILE 216.A N ALA 213.A O no hydrogen 3.427 N/A GLN 218.A N THR 215.A O no hydrogen 2.791 N/A VAL 219.A N ILE 216.A O no hydrogen 3.471 N/A ARG 222.A N VAL 219.A O no hydrogen 3.126 N/A GLU 224.A N ALA 221.A O no hydrogen 2.718 N/A PHE 225.A N ARG 222.A O no hydrogen 3.158 N/A VAL 228.A N PHE 225.A O no hydrogen 3.198 N/A ASP 229.A N THR 156.A O no hydrogen 2.938 N/A LEU 230.A N THR 156.A O no hydrogen 3.331 N/A LEU 231.A N ARG 262.A O no hydrogen 3.065 N/A THR 232.A N ALA 158.A O no hydrogen 2.879 N/A THR 232.A OG1 ALA 158.A O no hydrogen 3.207 N/A THR 232.A OG1 ASP 159.A OD1 no hydrogen 2.693 N/A CYS 233.A N LEU 264.A O no hydrogen 2.833 N/A MET 235.A N GLY 266.A O no hydrogen 2.698 N/A HIS 238.A N ASP 267.A OD2 no hydrogen 2.679 N/A HIS 238.A ND1 ASP 267.A OD2 no hydrogen 2.754 N/A ASP 239.A N MET 236.A O no hydrogen 2.933 N/A PHE 240.A N GLY 237.A O no hydrogen 2.783 N/A TRP 241.A N HIS 238.A O no hydrogen 3.121 N/A ARG 243.A NH1 GLU 309.A OE2 no hydrogen 2.763 N/A ARG 243.A NH2 GLU 309.A OE2 no hydrogen 3.045 N/A CYS 246.A N PRO 242.A O no hydrogen 2.906 N/A VAL 247.A N ARG 243.A O no hydrogen 2.890 N/A GLN 248.A N GLU 244.A O no hydrogen 3.021 N/A THR 249.A N ASN 245.A O no hydrogen 2.870 N/A THR 249.A OG1 ASN 245.A O no hydrogen 3.141 N/A LEU 250.A N CYS 246.A O no hydrogen 2.879 N/A ARG 251.A N VAL 247.A O no hydrogen 2.956 N/A ARG 251.A NE GLU 309.A O no hydrogen 2.925 N/A ARG 251.A NH2 GLU 309.A O no hydrogen 3.136 N/A LYS 252.A N GLN 248.A O no hydrogen 2.780 N/A LYS 252.A NZ ARG 214.A O no hydrogen 3.238 N/A LEU 253.A N THR 249.A O no hydrogen 2.777 N/A ARG 254.A N LEU 250.A O no hydrogen 2.737 N/A ARG 254.A NH1 VAL 260.A O no hydrogen 3.291 N/A ARG 254.A NH2 VAL 260.A O no hydrogen 3.283 N/A ARG 254.A NH2 GLU 332.A OXT no hydrogen 2.693 N/A ALA 255.A N ARG 251.A O no hydrogen 2.947 N/A ALA 256.A N LYS 252.A O no hydrogen 2.956 N/A PHE 257.A N LEU 253.A O no hydrogen 3.031 N/A VAL 260.A N PHE 257.A O no hydrogen 3.173 N/A ARG 261.A N ASP 229.A O no hydrogen 3.123 N/A ARG 262.A NE GLU 332.A OE1 no hydrogen 3.106 N/A ARG 262.A NH2 GLU 332.A OE1 no hydrogen 3.461 N/A PHE 263.A N LEU 331.A O no hydrogen 2.958 N/A LEU 264.A N LEU 231.A O no hydrogen 2.820 N/A LEU 265.A N PHE 329.A O no hydrogen 3.008 N/A GLY 266.A N CYS 233.A O no hydrogen 2.818 N/A ASP 267.A N VAL 327.A O no hydrogen 3.203 N/A ALA 268.A N ASP 267.A OD1 no hydrogen 2.853 N/A THR 269.A N VAL 325.A O no hydrogen 2.934 N/A THR 269.A OG1 VAL 325.A O no hydrogen 2.887 N/A ARG 270.A N PRO 298.A O no hydrogen 2.841 N/A ARG 270.A NH2 GLU 287.A O no hydrogen 3.552 N/A ARG 270.A NH2 ASP 291.A OD2 no hydrogen 3.048 N/A THR 271.A N GLU 287.A OE2 no hydrogen 2.840 N/A THR 271.A OG1 GLU 287.A OE2 no hydrogen 2.897 N/A GLU 278.A N PRO 275.A O no hydrogen 2.894 N/A THR 283.A N VAL 281.A O no hydrogen 2.841 N/A THR 283.A OG1 SER 324.A OG no hydrogen 2.546 N/A PHE 286.A N PHE 282.A O no hydrogen 2.786 N/A GLU 287.A N THR 283.A O no hydrogen 2.986 N/A PHE 288.A N LEU 284.A O no hydrogen 2.734 N/A GLY 289.A N GLY 285.A O no hydrogen 3.007 N/A HIS 290.A N PHE 286.A O no hydrogen 3.081 N/A HIS 290.A ND1 PHE 286.A O no hydrogen 2.990 N/A ASP 291.A N GLU 287.A O no hydrogen 2.987 N/A MET 292.A N PHE 288.A O no hydrogen 2.828 N/A MET 293.A N GLY 289.A O no hydrogen 2.879 N/A GLY 294.A N ASP 291.A O no hydrogen 3.147 N/A VAL 295.A N HIS 290.A O no hydrogen 2.823 N/A TYR 296.A OH GLU 302.A OE1 no hydrogen 3.384 N/A TYR 296.A OH GLU 302.A OE2 no hydrogen 2.608 N/A THR 299.A N GLU 302.A OE1 no hydrogen 2.831 N/A THR 299.A OG1 GLU 302.A OE1 no hydrogen 3.003 N/A GLU 302.A N THR 299.A OG1 no hydrogen 3.171 N/A TRP 303.A N THR 299.A O no hydrogen 3.074 N/A ASP 304.A N LEU 300.A O no hydrogen 2.940 N/A GLY 305.A N ASP 301.A O no hydrogen 3.012 N/A VAL 306.A N TRP 303.A O no hydrogen 3.006 N/A GLY 310.A N VAL 306.A O no hydrogen 2.957 N/A GLY 311.A N GLU 308.A O no hydrogen 2.759 N/A TRP 312.A N PHE 307.A O no hydrogen 2.817 N/A TRP 312.A NE1 LEU 250.A O no hydrogen 2.934 N/A ARG 313.A N GLU 332.A O no hydrogen 2.867 N/A CYS 314.A SG LYS 316.A O no hydrogen 3.560 N/A CYS 314.A SG GLU 330.A O no hydrogen 3.989 N/A VAL 315.A N GLU 330.A O no hydrogen 2.983 N/A LYS 316.A NZ GLU 330.A OE2 no hydrogen 3.050 N/A LYS 317.A NZ ASP 304.A OD1 no hydrogen 2.933 N/A HIS 318.A N VAL 328.A O no hydrogen 2.903 N/A HIS 318.A NE2 GLU 330.A OE2 no hydrogen 2.694 N/A ILE 320.A N SER 326.A O no hydrogen 2.917 N/A SER 322.A OG ILE 320.A O no hydrogen 3.299 N/A SER 324.A OG THR 283.A OG1 no hydrogen 2.546 N/A SER 326.A OG LEU 323.A O no hydrogen 2.694 N/A VAL 327.A N ASP 267.A O no hydrogen 2.999 N/A VAL 328.A N HIS 318.A O no hydrogen 2.852 N/A PHE 329.A N LEU 265.A O no hydrogen 2.815 N/A GLU 330.A N LYS 316.A O no hydrogen 2.851 N/A LEU 331.A N PHE 263.A O no hydrogen 2.797 N/A GLU 332.A N ARG 313.A O no hydrogen 2.799 N/A