Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kic_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N VAL 2.A O no hydrogen 2.518 N/A ALA 5.A N VAL 2.A O no hydrogen 3.067 N/A ALA 7.A N SER 3.A O no hydrogen 2.758 N/A ARG 8.A N GLU 4.A O no hydrogen 3.084 N/A ARG 9.A N ALA 5.A O no hydrogen 3.228 N/A ARG 9.A NE ARG 9.A O no hydrogen 3.239 N/A ARG 9.A NE ASP 13.A OD1 no hydrogen 3.375 N/A ARG 9.A NH2 ASP 13.A OD1 no hydrogen 3.469 N/A ALA 10.A N GLN 6.A O no hydrogen 2.952 N/A VAL 11.A N ALA 7.A O no hydrogen 3.001 N/A ALA 12.A N ARG 8.A O no hydrogen 3.046 N/A ASP 13.A N ARG 9.A O no hydrogen 2.825 N/A ILE 14.A N ALA 10.A O no hydrogen 2.954 N/A PHE 15.A N VAL 11.A O no hydrogen 2.980 N/A ASN 16.A N ALA 12.A O no hydrogen 2.880 N/A SER 17.A N ASP 13.A O no hydrogen 2.865 N/A SER 17.A OG ASP 13.A O no hydrogen 2.694 N/A THR 18.A N ILE 14.A O no hydrogen 3.355 N/A THR 18.A N PHE 15.A O no hydrogen 3.122 N/A THR 18.A OG1 ILE 14.A O no hydrogen 3.301 N/A THR 18.A OG1 PHE 15.A O no hydrogen 3.324 N/A ALA 20.A N ASN 16.A O no hydrogen 2.892 N/A SER 21.A N SER 17.A O no hydrogen 2.749 N/A SER 21.A OG ASN 98.A OD1 no hydrogen 2.742 N/A SER 22.A N THR 18.A O no hydrogen 3.128 N/A ALA 23.A N LEU 19.A O no hydrogen 2.946 N/A ILE 24.A N ALA 20.A O no hydrogen 2.895 N/A ILE 24.A N SER 21.A O no hydrogen 3.214 N/A ALA 27.A N ALA 23.A O no hydrogen 2.778 N/A TRP 28.A N ILE 24.A O no hydrogen 3.140 N/A GLU 29.A N GLY 25.A O no hydrogen 3.137 N/A LEU 30.A N ALA 26.A O no hydrogen 2.942 N/A GLY 31.A N TRP 28.A O no hydrogen 3.081 N/A LEU 33.A N ALA 27.A O no hydrogen 3.182 N/A GLU 35.A N GLY 31.A O no hydrogen 3.242 N/A LEU 36.A N ALA 32.A O no hydrogen 2.915 N/A ARG 37.A N LEU 33.A O no hydrogen 2.820 N/A GLU 38.A N ASP 34.A O no hydrogen 2.918 N/A ASN 39.A N GLU 35.A O no hydrogen 2.980 N/A GLY 40.A N LEU 36.A O no hydrogen 2.895 N/A LEU 42.A N VAL 78.A O no hydrogen 2.721 N/A VAL 44.A N ALA 76.A O no hydrogen 3.208 N/A SER 45.A OG GLU 55.A OE1 no hydrogen 2.993 N/A SER 45.A OG GLU 55.A OE2 no hydrogen 2.581 N/A ASP 46.A N ASP 43.A OD1 no hydrogen 3.127 N/A PHE 47.A N ASP 43.A O no hydrogen 2.891 N/A ALA 48.A N VAL 44.A O no hydrogen 2.904 N/A VAL 49.A N SER 45.A O no hydrogen 3.075 N/A ARG 50.A N ASP 46.A O no hydrogen 2.945 N/A ARG 50.A NH2 GLU 35.A OE2 no hydrogen 2.868 N/A HIS 51.A N PHE 47.A O no hydrogen 3.160 N/A ASP 52.A N VAL 49.A O no hydrogen 3.027 N/A LEU 53.A N ALA 48.A O no hydrogen 2.843 N/A VAL 58.A N HIS 54.A O no hydrogen 3.033 N/A VAL 59.A N GLU 55.A O no hydrogen 2.944 N/A GLY 60.A N PRO 56.A O no hydrogen 3.152 N/A MET 61.A N ALA 57.A O no hydrogen 2.948 N/A PHE 62.A N VAL 58.A O no hydrogen 3.136 N/A THR 63.A N VAL 59.A O no hydrogen 2.834 N/A THR 63.A OG1 VAL 59.A O no hydrogen 2.801 N/A ALA 64.A N GLY 60.A O no hydrogen 2.666 N/A LEU 65.A N MET 61.A O no hydrogen 2.969 N/A ALA 66.A N PHE 62.A O no hydrogen 2.812 N/A SER 67.A N THR 63.A O no hydrogen 2.803 N/A SER 67.A OG ALA 64.A O no hydrogen 2.832 N/A GLY 69.A N ALA 66.A O no hydrogen 3.249 N/A ILE 70.A N LEU 65.A O no hydrogen 3.224 N/A ARG 72.A N VAL 79.A O no hydrogen 2.728 N/A ARG 72.A NH2 GLU 74.A OE2 no hydrogen 2.939 N/A GLU 74.A N THR 77.A O no hydrogen 3.007 N/A THR 77.A N GLU 74.A O no hydrogen 2.959 N/A VAL 78.A N LEU 42.A O no hydrogen 2.735 N/A VAL 79.A N ARG 72.A O no hydrogen 2.842 N/A VAL 80.A N GLY 40.A O no hydrogen 3.209 N/A GLY 81.A N ILE 70.A O no hydrogen 2.962 N/A TYR 83.A N GLY 69.A O no hydrogen 3.232 N/A PHE 84.A N GLY 81.A O no hydrogen 3.070 N/A ALA 87.A N TYR 83.A O no hydrogen 3.073 N/A ASN 88.A N PHE 84.A O no hydrogen 2.940 N/A HIS 89.A N ASP 85.A O no hydrogen 2.945 N/A HIS 90.A N GLU 86.A O no hydrogen 3.133 N/A HIS 90.A ND1 TYR 140.A OH no hydrogen 2.754 N/A HIS 90.A NE2 GLU 86.A OE2 no hydrogen 2.771 N/A ARG 91.A N ASN 88.A O no hydrogen 3.440 N/A ARG 91.A NE GLU 135.A OE1 no hydrogen 2.976 N/A ARG 91.A NH1 ASP 34.A OD1 no hydrogen 3.437 N/A ARG 91.A NH1 ASN 88.A OD1 no hydrogen 2.768 N/A ARG 91.A NH2 GLU 135.A OE2 no hydrogen 3.055 N/A LEU 93.A N HIS 90.A O no hydrogen 2.927 N/A HIS 95.A N ARG 91.A O no hydrogen 3.031 N/A HIS 95.A NE2 GLU 29.A OE1 no hydrogen 2.625 N/A TRP 96.A N SER 92.A O no hydrogen 3.007 N/A LEU 97.A N LEU 93.A O no hydrogen 3.089 N/A ASN 98.A N PHE 94.A O no hydrogen 2.903 N/A GLN 99.A NE2 SER 22.A O no hydrogen 3.374 N/A GLY 100.A N HIS 95.A O no hydrogen 2.932 N/A SER 101.A N TRP 96.A O no hydrogen 2.806 N/A SER 101.A OG TRP 96.A O no hydrogen 3.003 N/A GLY 102.A N ASN 98.A O no hydrogen 2.803 N/A LEU 104.A N SER 101.A O no hydrogen 2.906 N/A ARG 106.A N GLY 102.A O no hydrogen 2.922 N/A ARG 106.A NE GLU 103.A OE2 no hydrogen 2.810 N/A ARG 106.A NH2 GLU 103.A OE2 no hydrogen 2.908 N/A ARG 107.A N GLU 103.A O no hydrogen 3.282 N/A MET 108.A N PHE 105.A O no hydrogen 3.349 N/A GLN 110.A N ARG 107.A O no hydrogen 2.845 N/A VAL 111.A N ARG 107.A O no hydrogen 2.838 N/A LEU 112.A N MET 108.A O no hydrogen 3.063 N/A ASN 116.A N PRO 113.A O no hydrogen 2.916 N/A ASN 116.A ND2 GLN 110.A O no hydrogen 2.803 N/A ARG 117.A N ASN 114.A O no hydrogen 2.888 N/A ARG 117.A NH1 VAL 111.A O no hydrogen 2.863 N/A ARG 117.A NH1 MET 294.A O no hydrogen 2.912 N/A ARG 117.A NH2 MET 294.A O no hydrogen 2.995 N/A THR 118.A N ASN 116.A O no hydrogen 2.877 N/A PHE 121.A N GLY 119.A O no hydrogen 3.154 N/A ARG 124.A NE SER 101.A OG no hydrogen 3.233 N/A ARG 124.A NH2 SER 101.A OG no hydrogen 2.990 N/A ASP 125.A N GLY 100.A O no hydrogen 3.160 N/A ALA 128.A N ASP 125.A OD1 no hydrogen 3.408 N/A ILE 129.A N ASP 125.A O no hydrogen 3.025 N/A SER 130.A N ALA 126.A O no hydrogen 2.845 N/A SER 130.A OG ALA 126.A O no hydrogen 2.867 N/A TYR 131.A N GLY 127.A O no hydrogen 2.944 N/A ALA 132.A N ALA 128.A O no hydrogen 2.853 N/A CYS 133.A N ILE 129.A O no hydrogen 2.915 N/A CYS 133.A SG ILE 129.A O no hydrogen 3.282 N/A ARG 134.A N SER 130.A O no hydrogen 3.030 N/A ARG 134.A NH1 GLU 198.A OE2 no hydrogen 2.979 N/A GLU 135.A N ALA 132.A O no hydrogen 2.994 N/A ILE 136.A N ALA 132.A O no hydrogen 2.978 N/A SER 137.A N CYS 133.A O no hydrogen 2.844 N/A GLU 138.A N ARG 134.A O no hydrogen 3.375 N/A ARG 139.A N GLU 135.A O no hydrogen 2.698 N/A ARG 139.A NE HIS 89.A O no hydrogen 3.217 N/A TYR 140.A N ILE 136.A O no hydrogen 2.807 N/A TYR 140.A OH HIS 90.A ND1 no hydrogen 2.754 N/A PHE 141.A N SER 137.A O no hydrogen 2.945 N/A PHE 145.A N PHE 141.A O no hydrogen 2.870 N/A TRP 146.A N ASP 142.A O no hydrogen 2.722 N/A ALA 147.A N PRO 143.A O no hydrogen 3.029 N/A ALA 148.A N ALA 144.A O no hydrogen 3.112 N/A VAL 149.A N PHE 145.A O no hydrogen 2.901 N/A ASP 150.A N TRP 146.A O no hydrogen 2.747 N/A GLY 151.A N ALA 147.A O no hydrogen 3.078 N/A GLY 151.A N ALA 148.A O no hydrogen 3.251 N/A LEU 152.A N VAL 149.A O no hydrogen 3.295 N/A TYR 154.A OH ASP 231.A O no hydrogen 2.309 N/A THR 157.A N ASP 231.A OD1 no hydrogen 2.860 N/A THR 157.A N ASP 231.A OD2 no hydrogen 3.009 N/A THR 157.A OG1 ASP 231.A OD2 no hydrogen 2.457 N/A THR 158.A N ASP 231.A OD1 no hydrogen 3.319 N/A VAL 159.A N ARG 181.A O no hydrogen 2.926 N/A ALA 160.A N LEU 232.A O no hydrogen 3.077 N/A ASP 161.A N LEU 183.A O no hydrogen 2.801 N/A LEU 162.A N THR 234.A O no hydrogen 2.886 N/A GLY 163.A N VAL 185.A O no hydrogen 2.622 N/A SER 164.A N VAL 185.A O no hydrogen 2.963 N/A GLY 165.A N ASP 186.A OD2 no hydrogen 3.019 N/A GLY 167.A N SER 164.A O no hydrogen 3.118 N/A GLU 168.A N SER 166.A OG no hydrogen 3.187 N/A ILE 171.A N GLY 167.A O no hydrogen 3.211 N/A GLN 172.A N GLU 168.A O no hydrogen 2.974 N/A ILE 173.A N ARG 169.A O no hydrogen 3.057 N/A ALA 174.A N LEU 170.A O no hydrogen 3.074 N/A ARG 175.A N ILE 171.A O no hydrogen 2.948 N/A ARG 175.A N GLN 172.A O no hydrogen 3.233 N/A ARG 175.A NE GLN 172.A OE1 no hydrogen 2.985 N/A ARG 176.A N GLN 172.A O no hydrogen 3.231 N/A ARG 176.A NH2 ASP 150.A OD1 no hydrogen 2.260 N/A PHE 177.A N ILE 173.A O no hydrogen 2.902 N/A VAL 180.A N PHE 177.A O no hydrogen 2.949 N/A ARG 181.A N THR 157.A O no hydrogen 2.946 N/A GLY 182.A N GLN 207.A O no hydrogen 2.996 N/A LEU 183.A N VAL 159.A O no hydrogen 2.851 N/A GLY 184.A N SER 209.A O no hydrogen 3.016 N/A VAL 185.A N ASP 161.A O no hydrogen 2.836 N/A ASP 186.A N VAL 211.A O no hydrogen 3.245 N/A ALA 188.A N ASP 186.A OD1 no hydrogen 2.700 N/A ILE 192.A N ALA 188.A O no hydrogen 3.113 N/A ALA 193.A N ASP 189.A O no hydrogen 2.851 N/A MET 194.A N GLY 190.A O no hydrogen 3.197 N/A ALA 195.A N ALA 191.A O no hydrogen 2.928 N/A GLU 196.A N ILE 192.A O no hydrogen 2.845 N/A LYS 197.A N ALA 193.A O no hydrogen 2.987 N/A GLU 198.A N MET 194.A O no hydrogen 2.862 N/A VAL 199.A N ALA 195.A O no hydrogen 2.922 N/A ALA 200.A N GLU 196.A O no hydrogen 3.241 N/A ALA 201.A N LYS 197.A O no hydrogen 3.135 N/A LYS 202.A N GLU 198.A O no hydrogen 2.943 N/A LYS 202.A NZ GLU 198.A OE1 no hydrogen 2.950 N/A GLY 203.A N ALA 200.A O no hydrogen 3.147 N/A PHE 204.A N VAL 199.A O no hydrogen 2.912 N/A GLN 207.A N PHE 204.A O no hydrogen 3.260 N/A ILE 208.A N PHE 204.A O no hydrogen 3.087 N/A SER 209.A N GLY 182.A O no hydrogen 3.005 N/A VAL 211.A N GLY 184.A O no hydrogen 2.997 N/A GLY 213.A N ASP 186.A O no hydrogen 2.805 N/A ARG 216.A N ASP 214.A OD1 no hydrogen 3.007 N/A ARG 216.A NE ASP 214.A OD1 no hydrogen 3.089 N/A ARG 216.A NE ASP 214.A OD2 no hydrogen 3.336 N/A ARG 216.A NH2 ASP 214.A OD2 no hydrogen 2.951 N/A THR 217.A N ASP 214.A O no hydrogen 2.917 N/A THR 217.A OG1 ASP 214.A O no hydrogen 3.268 N/A ILE 218.A N ALA 215.A O no hydrogen 3.202 N/A GLN 220.A N THR 217.A O no hydrogen 2.986 N/A VAL 221.A N ILE 218.A O no hydrogen 3.112 N/A ARG 224.A NE ASP 219.A O no hydrogen 3.212 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.758 N/A PHE 227.A N ARG 224.A O no hydrogen 2.982 N/A GLU 229.A N GLU 226.A O no hydrogen 3.253 N/A VAL 230.A N PHE 227.A O no hydrogen 2.966 N/A ASP 231.A N THR 158.A O no hydrogen 2.887 N/A LEU 232.A N THR 158.A O no hydrogen 3.200 N/A LEU 233.A N ARG 264.A O no hydrogen 2.913 N/A THR 234.A N ALA 160.A O no hydrogen 3.002 N/A THR 234.A OG1 ALA 160.A O no hydrogen 3.469 N/A THR 234.A OG1 ASP 161.A OD1 no hydrogen 2.576 N/A MET 237.A N GLY 268.A O no hydrogen 2.899 N/A HIS 240.A N ASP 269.A OD2 no hydrogen 3.103 N/A HIS 240.A ND1 ASP 269.A OD2 no hydrogen 2.798 N/A ASP 241.A N MET 238.A O no hydrogen 2.934 N/A PHE 242.A N GLY 239.A O no hydrogen 3.084 N/A TRP 243.A N HIS 240.A O no hydrogen 3.035 N/A ARG 245.A NH1 GLU 311.A OE2 no hydrogen 3.051 N/A ARG 245.A NH2 GLU 311.A OE2 no hydrogen 3.213 N/A CYS 248.A N PRO 244.A O no hydrogen 2.898 N/A VAL 249.A N ARG 245.A O no hydrogen 2.947 N/A GLN 250.A N GLU 246.A O no hydrogen 3.227 N/A THR 251.A N ASN 247.A O no hydrogen 2.981 N/A THR 251.A OG1 ARG 216.A O no hydrogen 2.972 N/A THR 251.A OG1 ASN 247.A O no hydrogen 3.319 N/A LEU 252.A N CYS 248.A O no hydrogen 2.871 N/A ARG 253.A N VAL 249.A O no hydrogen 3.277 N/A ARG 253.A NE GLU 311.A O no hydrogen 2.945 N/A ARG 253.A NH2 GLU 311.A O no hydrogen 2.788 N/A LYS 254.A N GLN 250.A O no hydrogen 2.942 N/A LEU 255.A N THR 251.A O no hydrogen 2.938 N/A ARG 256.A N LEU 252.A O no hydrogen 3.155 N/A ARG 256.A NH1 VAL 262.A O no hydrogen 3.434 N/A ARG 256.A NH2 VAL 262.A O no hydrogen 2.910 N/A ALA 257.A N ARG 253.A O no hydrogen 2.934 N/A ALA 258.A N LYS 254.A O no hydrogen 2.592 N/A PHE 259.A N LEU 255.A O no hydrogen 2.842 N/A ASN 261.A ND2 ALA 228.A O no hydrogen 2.847 N/A VAL 262.A N PHE 259.A O no hydrogen 3.172 N/A ARG 263.A N ASP 231.A O no hydrogen 3.100 N/A ARG 264.A N TYR 154.A OH no hydrogen 3.258 N/A ARG 264.A NE GLU 334.A OE2 no hydrogen 2.826 N/A ARG 264.A NH1 GLY 151.A O no hydrogen 3.028 N/A ARG 264.A NH2 GLU 334.A OE2 no hydrogen 3.119 N/A PHE 265.A N LEU 333.A O no hydrogen 3.072 N/A LEU 266.A N LEU 233.A O no hydrogen 2.765 N/A LEU 267.A N PHE 331.A O no hydrogen 3.061 N/A GLY 268.A N CYS 235.A O no hydrogen 2.781 N/A ASP 269.A N VAL 329.A O no hydrogen 3.010 N/A THR 271.A N VAL 327.A O no hydrogen 2.837 N/A THR 271.A OG1 VAL 327.A O no hydrogen 2.818 N/A ARG 272.A N PRO 300.A O no hydrogen 3.137 N/A ARG 272.A NE LEU 299.A O no hydrogen 3.314 N/A ARG 272.A NH1 ASP 293.A OD2 no hydrogen 3.226 N/A ARG 272.A NH2 ASP 293.A OD1 no hydrogen 2.970 N/A THR 273.A N GLU 289.A OE2 no hydrogen 2.935 N/A THR 273.A OG1 GLU 289.A OE2 no hydrogen 2.855 N/A GLU 280.A N PRO 277.A O no hydrogen 2.755 N/A THR 285.A N VAL 283.A O no hydrogen 3.051 N/A THR 285.A OG1 SER 326.A OG no hydrogen 3.038 N/A PHE 288.A N PHE 284.A O no hydrogen 2.756 N/A GLU 289.A N THR 285.A O no hydrogen 2.822 N/A PHE 290.A N LEU 286.A O no hydrogen 2.919 N/A GLY 291.A N GLY 287.A O no hydrogen 3.023 N/A HIS 292.A N PHE 288.A O no hydrogen 3.174 N/A HIS 292.A ND1 PHE 288.A O no hydrogen 2.761 N/A ASP 293.A N GLU 289.A O no hydrogen 2.901 N/A MET 294.A N PHE 290.A O no hydrogen 2.927 N/A MET 295.A N GLY 291.A O no hydrogen 2.945 N/A GLY 296.A N ASP 293.A O no hydrogen 3.203 N/A VAL 297.A N HIS 292.A O no hydrogen 2.960 N/A TYR 298.A OH GLU 304.A OE1 no hydrogen 2.574 N/A THR 301.A N GLU 304.A OE2 no hydrogen 2.795 N/A THR 301.A OG1 GLU 304.A OE2 no hydrogen 3.470 N/A GLU 304.A N THR 301.A OG1 no hydrogen 3.017 N/A TRP 305.A N LEU 302.A O no hydrogen 3.005 N/A ASP 306.A N LEU 302.A O no hydrogen 3.380 N/A GLY 307.A N ASP 303.A O no hydrogen 3.457 N/A VAL 308.A N TRP 305.A O no hydrogen 3.218 N/A GLY 312.A N VAL 308.A O no hydrogen 3.017 N/A GLY 313.A N GLU 310.A O no hydrogen 3.172 N/A TRP 314.A N PHE 309.A O no hydrogen 2.857 N/A TRP 314.A NE1 LEU 252.A O no hydrogen 2.916 N/A ARG 315.A N GLU 334.A O no hydrogen 2.969 N/A CYS 316.A SG LYS 318.A O no hydrogen 3.797 N/A VAL 317.A N GLU 332.A O no hydrogen 2.728 N/A LYS 319.A NZ ASP 306.A OD1 no hydrogen 2.960 N/A HIS 320.A N VAL 330.A O no hydrogen 2.876 N/A ILE 322.A N SER 328.A O no hydrogen 3.225 N/A SER 326.A OG THR 285.A OG1 no hydrogen 3.038 N/A SER 328.A N ILE 322.A O no hydrogen 3.115 N/A SER 328.A OG LEU 325.A O no hydrogen 2.687 N/A VAL 329.A N ASP 269.A O no hydrogen 2.792 N/A VAL 330.A N HIS 320.A O no hydrogen 3.119 N/A PHE 331.A N LEU 267.A O no hydrogen 2.725 N/A GLU 332.A N LYS 318.A O no hydrogen 2.734 N/A LEU 333.A N PHE 265.A O no hydrogen 3.073 N/A GLU 334.A N ARG 315.A O no hydrogen 2.816 N/A