Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1smk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N LEU 26.A O no hydrogen 2.753 N/A LYS 3.A N ASP 71.A OD2 no hydrogen 2.774 N/A VAL 4.A N VAL 29.A O no hydrogen 2.823 N/A ALA 5.A N LEU 72.A O no hydrogen 2.841 N/A ILE 6.A N HIS 31.A O no hydrogen 2.888 N/A LEU 7.A N ILE 74.A O no hydrogen 2.854 N/A GLY 8.A N TYR 33.A O no hydrogen 2.627 N/A ALA 9.A N TYR 33.A O no hydrogen 2.902 N/A ALA 10.A N ASP 34.A OD2 no hydrogen 2.916 N/A GLY 11.A N GLY 8.A O no hydrogen 3.438 N/A GLN 15.A N GLY 11.A O no hydrogen 3.069 N/A GLN 15.A NE2 ALA 10.A O no hydrogen 2.878 N/A LEU 17.A N ILE 13.A O no hydrogen 3.135 N/A ALA 18.A N GLY 14.A O no hydrogen 2.695 N/A MET 19.A N GLN 15.A O no hydrogen 2.941 N/A LEU 20.A N PRO 16.A O no hydrogen 3.154 N/A MET 21.A N LEU 17.A O no hydrogen 2.993 N/A LYS 22.A N ALA 18.A O no hydrogen 2.936 N/A LYS 22.A NZ MET 48.A O no hydrogen 3.121 N/A LYS 22.A NZ THR 50.A OG1 no hydrogen 2.704 N/A LYS 22.A NZ ALA 52.A O no hydrogen 2.639 N/A MET 23.A N LEU 20.A O no hydrogen 3.219 N/A ASN 24.A N MET 21.A O no hydrogen 2.931 N/A ASN 24.A ND2 ASP 237.A OD1 no hydrogen 2.910 N/A LEU 26.A N ASN 24.A OD1 no hydrogen 2.908 N/A VAL 27.A N ASN 24.A O no hydrogen 3.045 N/A SER 28.A N PHE 2.A O no hydrogen 2.893 N/A SER 28.A OG PHE 2.A O no hydrogen 3.396 N/A VAL 29.A N PHE 2.A O no hydrogen 3.497 N/A LEU 30.A N VAL 53.A O no hydrogen 2.731 N/A HIS 31.A N VAL 4.A O no hydrogen 2.840 N/A HIS 31.A ND1 ALA 66.A O no hydrogen 2.757 N/A LEU 32.A N ARG 55.A O no hydrogen 2.850 N/A TYR 33.A N ILE 6.A O no hydrogen 2.961 N/A ASP 34.A N PHE 57.A O no hydrogen 3.296 N/A VAL 35.A N ASP 34.A OD1 no hydrogen 2.675 N/A VAL 41.A N ASN 37.A O no hydrogen 3.248 N/A THR 42.A N ALA 38.A O no hydrogen 2.963 N/A THR 42.A OG1 ALA 38.A O no hydrogen 2.642 N/A ALA 43.A N PRO 39.A O no hydrogen 2.863 N/A ASP 44.A N GLY 40.A O no hydrogen 3.219 N/A ILE 45.A N VAL 41.A O no hydrogen 2.949 N/A SER 46.A N THR 42.A O no hydrogen 2.746 N/A SER 46.A OG THR 42.A O no hydrogen 3.561 N/A SER 46.A OG ALA 43.A O no hydrogen 2.450 N/A HIS 47.A N ASP 44.A O no hydrogen 3.270 N/A MET 48.A N ILE 45.A O no hydrogen 3.120 N/A THR 50.A N MET 48.A O no hydrogen 2.842 N/A THR 50.A OG1 LYS 22.A O no hydrogen 2.512 N/A VAL 53.A N SER 28.A O no hydrogen 2.800 N/A ARG 55.A N LEU 30.A O no hydrogen 2.898 N/A PHE 57.A N LEU 32.A O no hydrogen 2.820 N/A GLY 59.A N ASP 34.A O no hydrogen 3.128 N/A GLN 61.A N GLN 61.A OE1 no hydrogen 2.475 N/A GLN 62.A N GLY 59.A O no hydrogen 2.893 N/A LEU 63.A N GLN 60.A O no hydrogen 3.094 N/A ALA 66.A N GLN 62.A O no hydrogen 2.873 N/A LEU 67.A N LEU 63.A O no hydrogen 2.856 N/A THR 68.A N GLU 64.A O no hydrogen 2.957 N/A THR 68.A OG1 GLU 64.A O no hydrogen 2.656 N/A MET 70.A N LEU 67.A O no hydrogen 3.046 N/A ASP 71.A N LYS 3.A O no hydrogen 2.670 N/A LEU 72.A N LYS 3.A O no hydrogen 3.103 N/A ILE 73.A N ILE 113.A O no hydrogen 2.760 N/A ILE 74.A N ALA 5.A O no hydrogen 2.718 N/A VAL 75.A N ASN 115.A O no hydrogen 2.848 N/A VAL 79.A N ASN 94.A OD1 no hydrogen 3.004 N/A GLY 84.A N LYS 82.A O no hydrogen 2.550 N/A LYS 92.A N ASP 88.A O no hydrogen 3.353 N/A ILE 93.A N ASP 89.A O no hydrogen 3.403 N/A ASN 94.A N LEU 90.A O no hydrogen 3.018 N/A ASN 94.A ND2 ASN 119.A O no hydrogen 2.907 N/A ALA 95.A N PHE 91.A O no hydrogen 2.806 N/A GLY 96.A N LYS 92.A O no hydrogen 2.937 N/A ILE 97.A N ILE 93.A O no hydrogen 2.809 N/A VAL 98.A N ASN 94.A O no hydrogen 2.790 N/A LYS 99.A N ALA 95.A O no hydrogen 2.856 N/A THR 100.A N GLY 96.A O no hydrogen 3.158 N/A THR 100.A OG1 ILE 97.A O no hydrogen 3.513 N/A LEU 101.A N ILE 97.A O no hydrogen 3.158 N/A CYS 102.A N VAL 98.A O no hydrogen 3.008 N/A CYS 102.A SG VAL 98.A O no hydrogen 3.185 N/A GLU 103.A N LYS 99.A O no hydrogen 2.900 N/A GLY 104.A N THR 100.A O no hydrogen 2.861 N/A ILE 105.A N LEU 101.A O no hydrogen 2.806 N/A ALA 106.A N CYS 102.A O no hydrogen 2.777 N/A LYS 107.A N GLU 103.A O no hydrogen 3.015 N/A LYS 107.A NZ GLU 64.A OE1 no hydrogen 2.809 N/A CYS 108.A N GLY 104.A O no hydrogen 2.679 N/A CYS 108.A SG GLY 104.A O no hydrogen 3.277 N/A CYS 109.A N ILE 105.A O no hydrogen 2.860 N/A CYS 109.A SG LEU 67.A O no hydrogen 3.714 N/A CYS 109.A SG ILE 105.A O no hydrogen 4.033 N/A ALA 112.A N CYS 109.A O no hydrogen 2.872 N/A ILE 113.A N ASP 71.A O no hydrogen 2.883 N/A VAL 114.A N ARG 142.A O no hydrogen 2.756 N/A ASN 115.A N ILE 73.A O no hydrogen 2.729 N/A LEU 116.A N LEU 144.A O no hydrogen 2.821 N/A ILE 117.A N VAL 75.A O no hydrogen 2.933 N/A SER 118.A N VAL 75.A O no hydrogen 3.045 N/A SER 118.A OG VAL 75.A O no hydrogen 2.905 N/A SER 118.A OG ALA 77.A O no hydrogen 2.924 N/A VAL 121.A N ASN 119.A OD1 no hydrogen 2.827 N/A SER 123.A N PRO 120.A O no hydrogen 2.928 N/A SER 123.A OG SER 303.A O no hydrogen 2.618 N/A THR 124.A N PRO 120.A O no hydrogen 2.938 N/A THR 124.A OG1 SER 118.A O no hydrogen 2.651 N/A THR 124.A OG1 PRO 120.A O no hydrogen 3.256 N/A VAL 125.A N VAL 121.A O no hydrogen 3.204 N/A ILE 127.A N SER 123.A O no hydrogen 3.020 N/A ALA 128.A N THR 124.A O no hydrogen 2.825 N/A ALA 129.A N VAL 125.A O no hydrogen 2.860 N/A GLU 130.A N PRO 126.A O no hydrogen 2.818 N/A VAL 131.A N ILE 127.A O no hydrogen 2.950 N/A PHE 132.A N ALA 128.A O no hydrogen 2.896 N/A LYS 133.A N ALA 129.A O no hydrogen 2.826 N/A LYS 133.A NZ GLU 130.A OE2 no hydrogen 3.296 N/A LYS 134.A N GLU 130.A O no hydrogen 2.839 N/A ALA 135.A N PHE 132.A O no hydrogen 2.916 N/A GLY 136.A N LYS 133.A O no hydrogen 2.989 N/A THR 137.A N PHE 132.A O no hydrogen 3.151 N/A LYS 141.A N ASP 139.A OD1 no hydrogen 2.697 N/A ARG 142.A N ASP 139.A O no hydrogen 2.831 N/A ARG 142.A NE ASP 139.A OD2 no hydrogen 2.866 N/A LEU 144.A N VAL 114.A O no hydrogen 2.820 N/A GLY 145.A N PHE 254.A O no hydrogen 2.817 N/A VAL 146.A N LEU 116.A O no hydrogen 2.876 N/A THR 147.A OG1 CYS 252.A O no hydrogen 3.243 N/A ASP 150.A N THR 147.A O no hydrogen 2.876 N/A VAL 152.A N MET 148.A O no hydrogen 2.898 N/A ARG 153.A N LEU 149.A O no hydrogen 2.959 N/A ALA 154.A N ASP 150.A O no hydrogen 2.842 N/A ASN 155.A N VAL 151.A O no hydrogen 2.793 N/A THR 156.A N VAL 152.A O no hydrogen 2.931 N/A THR 156.A OG1 VAL 152.A O no hydrogen 2.924 N/A PHE 157.A N ARG 153.A O no hydrogen 2.712 N/A VAL 158.A N ALA 154.A O no hydrogen 2.774 N/A ALA 159.A N ASN 155.A O no hydrogen 2.898 N/A GLU 160.A N THR 156.A O no hydrogen 2.981 N/A VAL 161.A N PHE 157.A O no hydrogen 3.112 N/A LEU 162.A N VAL 158.A O no hydrogen 2.884 N/A GLY 163.A N GLU 160.A O no hydrogen 3.425 N/A LEU 164.A N ALA 159.A O no hydrogen 2.763 N/A ARG 167.A N ASP 165.A OD1 no hydrogen 2.897 N/A ASP 168.A N ASP 165.A O no hydrogen 2.789 N/A VAL 169.A N PRO 166.A O no hydrogen 3.278 N/A ASP 170.A N LYS 190.A O no hydrogen 2.816 N/A VAL 171.A N ASN 155.A OD1 no hydrogen 2.849 N/A VAL 174.A N LEU 183.A O no hydrogen 2.709 N/A GLY 175.A N ALA 266.A O no hydrogen 2.906 N/A GLY 176.A N THR 181.A O no hydrogen 2.791 N/A HIS 177.A N ASN 122.A OD1 no hydrogen 2.787 N/A THR 181.A N ALA 178.A O no hydrogen 2.964 N/A THR 181.A OG1 ALA 296.A O no hydrogen 3.448 N/A ILE 182.A N GLY 179.A O no hydrogen 2.759 N/A LEU 183.A N VAL 174.A O no hydrogen 2.902 N/A LEU 185.A N PRO 172.A O no hydrogen 2.748 N/A SER 187.A N GLU 289.A OE2 no hydrogen 2.875 N/A SER 187.A OG GLU 289.A OE1 no hydrogen 2.555 N/A SER 187.A OG GLU 289.A OE2 no hydrogen 2.817 N/A GLN 188.A N LEU 185.A O no hydrogen 2.809 N/A GLN 188.A NE2 LEU 282.A O no hydrogen 3.040 N/A GLN 188.A NE2 PRO 284.A O no hydrogen 2.905 N/A VAL 189.A N LEU 186.A O no hydrogen 3.288 N/A LYS 190.A N ASP 170.A O no hydrogen 2.894 N/A SER 193.A OG PRO 191.A O no hydrogen 2.624 N/A THR 196.A N GLU 199.A OE1 no hydrogen 3.033 N/A THR 196.A OG1 GLU 198.A OE1 no hydrogen 3.425 N/A GLU 199.A N THR 196.A OG1 no hydrogen 3.306 N/A ILE 200.A N THR 196.A O no hydrogen 3.059 N/A SER 201.A N GLN 197.A O no hydrogen 3.195 N/A TYR 202.A N GLU 198.A O no hydrogen 3.090 N/A LEU 203.A N GLU 199.A O no hydrogen 2.807 N/A THR 204.A N ILE 200.A O no hydrogen 3.067 N/A THR 204.A OG1 ILE 200.A O no hydrogen 2.775 N/A ASP 205.A N SER 201.A O no hydrogen 2.999 N/A ARG 206.A N TYR 202.A O no hydrogen 2.890 N/A ARG 206.A NE GLU 213.A OE2 no hydrogen 2.663 N/A ARG 206.A NH1 GLU 160.A OE1 no hydrogen 2.781 N/A ARG 206.A NH2 GLU 213.A OE1 no hydrogen 3.108 N/A ARG 206.A NH2 GLU 213.A OE2 no hydrogen 3.470 N/A ILE 207.A N LEU 203.A O no hydrogen 2.817 N/A GLN 208.A N THR 204.A O no hydrogen 2.981 N/A GLN 208.A NE2 ILE 182.A O no hydrogen 2.806 N/A ASN 209.A N ASP 205.A O no hydrogen 3.175 N/A ASN 209.A N ARG 206.A O no hydrogen 3.190 N/A ASN 209.A ND2 ASP 205.A O no hydrogen 2.670 N/A GLY 210.A N ILE 207.A O no hydrogen 3.347 N/A THR 212.A OG1 ASN 209.A O no hydrogen 2.954 N/A GLU 213.A N GLY 210.A O no hydrogen 3.079 N/A VAL 214.A N GLY 211.A O no hydrogen 3.143 N/A VAL 215.A N GLY 211.A O no hydrogen 3.286 N/A GLU 216.A N THR 212.A O no hydrogen 2.830 N/A ALA 217.A N GLU 213.A O no hydrogen 3.118 N/A LYS 218.A N VAL 214.A O no hydrogen 3.061 N/A LYS 218.A N VAL 215.A O no hydrogen 3.112 N/A LYS 218.A NZ SER 223.A O no hydrogen 3.229 N/A ALA 219.A N GLU 216.A O no hydrogen 2.996 N/A GLY 220.A N VAL 215.A O no hydrogen 2.763 N/A ALA 221.A N LYS 218.A O no hydrogen 2.752 N/A ALA 229.A N THR 225.A O no hydrogen 2.811 N/A TYR 230.A N LEU 226.A O no hydrogen 2.748 N/A ALA 231.A N SER 227.A O no hydrogen 2.798 N/A ALA 232.A N MET 228.A O no hydrogen 2.777 N/A VAL 233.A N ALA 229.A O no hydrogen 2.997 N/A LYS 234.A N TYR 230.A O no hydrogen 3.012 N/A PHE 235.A N ALA 231.A O no hydrogen 2.888 N/A ALA 236.A N ALA 232.A O no hydrogen 2.639 N/A ASP 237.A N VAL 233.A O no hydrogen 2.741 N/A ALA 238.A N LYS 234.A O no hydrogen 3.171 N/A CYS 239.A N PHE 235.A O no hydrogen 2.974 N/A CYS 239.A SG ASN 115.A OD1 no hydrogen 3.713 N/A CYS 239.A SG PHE 235.A O no hydrogen 3.746 N/A LEU 240.A N ALA 236.A O no hydrogen 2.861 N/A ARG 241.A N ASP 237.A O no hydrogen 2.895 N/A ARG 241.A NE ASP 237.A OD2 no hydrogen 3.084 N/A GLY 242.A N ALA 238.A O no hydrogen 2.960 N/A LEU 243.A N CYS 239.A O no hydrogen 2.876 N/A ARG 244.A N LEU 240.A O no hydrogen 2.907 N/A ARG 244.A NE ASP 246.A OD1 no hydrogen 2.782 N/A ARG 244.A NH2 ASP 246.A OD1 no hydrogen 3.404 N/A ARG 244.A NH2 ASP 246.A OD2 no hydrogen 2.581 N/A GLY 245.A N GLY 242.A O no hydrogen 3.003 N/A ASP 246.A N ARG 241.A O no hydrogen 3.068 N/A GLU 251.A N VAL 269.A O no hydrogen 2.953 N/A CYS 252.A SG VAL 173.A O no hydrogen 3.627 N/A ALA 253.A N SER 267.A O no hydrogen 3.218 N/A PHE 254.A N GLY 145.A O no hydrogen 2.887 N/A VAL 255.A N PHE 265.A O no hydrogen 2.983 N/A SER 257.A N PRO 263.A O no hydrogen 2.978 N/A LEU 262.A N THR 260.A OG1 no hydrogen 3.052 N/A PHE 265.A N VAL 255.A O no hydrogen 2.888 N/A ALA 266.A N GLY 175.A O no hydrogen 2.785 N/A SER 267.A N ALA 253.A O no hydrogen 3.270 N/A SER 267.A OG TYR 280.A O no hydrogen 3.339 N/A LYS 268.A NZ ASP 170.A OD1 no hydrogen 3.356 N/A LYS 268.A NZ ASP 170.A OD2 no hydrogen 2.852 N/A VAL 269.A N GLU 251.A O no hydrogen 2.702 N/A ARG 270.A N GLU 278.A O no hydrogen 2.842 N/A ARG 270.A NH1 GLU 278.A OE1 no hydrogen 2.776 N/A LEU 271.A N VAL 249.A O no hydrogen 2.765 N/A GLY 272.A N GLY 275.A O no hydrogen 2.646 N/A ASN 274.A N GLU 277.A OE2 no hydrogen 3.473 N/A GLY 275.A N GLY 272.A O no hydrogen 3.302 N/A ILE 276.A N LYS 141.A O no hydrogen 2.662 N/A GLU 277.A N ARG 270.A O no hydrogen 2.825 N/A TYR 280.A N LYS 268.A O no hydrogen 2.771 N/A ASN 286.A N GLU 289.A OE1 no hydrogen 2.819 N/A GLU 289.A N ASN 286.A OD1 no hydrogen 2.793 N/A ARG 290.A N ASN 286.A O no hydrogen 2.797 N/A ILE 291.A N GLU 287.A O no hydrogen 2.940 N/A GLY 292.A N TYR 288.A O no hydrogen 3.055 N/A LEU 293.A N GLU 289.A O no hydrogen 2.649 N/A GLU 294.A N ARG 290.A O no hydrogen 3.102 N/A LYS 295.A N ILE 291.A O no hydrogen 3.401 N/A ALA 296.A N GLY 292.A O no hydrogen 2.919 N/A LYS 297.A N LEU 293.A O no hydrogen 2.811 N/A LYS 298.A N GLU 294.A O no hydrogen 3.012 N/A GLU 299.A N LYS 295.A O no hydrogen 3.347 N/A LEU 300.A N ALA 296.A O no hydrogen 2.846 N/A ALA 301.A N LYS 297.A O no hydrogen 2.786 N/A SER 303.A N GLU 299.A O no hydrogen 3.093 N/A SER 303.A OG GLU 299.A O no hydrogen 3.455 N/A ILE 304.A N LEU 300.A O no hydrogen 2.968 N/A GLU 305.A N ALA 301.A O no hydrogen 3.132 N/A LYS 306.A N GLY 302.A O no hydrogen 2.916 N/A LYS 306.A NZ ASP 88.A OD1 no hydrogen 3.185 N/A GLY 307.A N SER 303.A O no hydrogen 3.205 N/A VAL 308.A N ILE 304.A O no hydrogen 2.851 N/A SER 309.A N GLU 305.A O no hydrogen 2.743 N/A PHE 310.A N LYS 306.A O no hydrogen 3.181 N/A ARG 312.A N VAL 308.A O no hydrogen 3.066 N/A SER 313.A N ILE 311.A O no hydrogen 2.755 N/A SER 313.A OG SER 309.A O no hydrogen 3.144 N/A SER 313.A OG ARG 312.A O no hydrogen 2.579 N/A