Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5f42_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 18.A O no hydrogen 2.818 N/A HIS 3.A N ILE 20.A O no hydrogen 2.838 N/A LEU 5.A N HIS 3.A ND1 no hydrogen 3.077 N/A ALA 6.A N HIS 3.A O no hydrogen 3.076 N/A VAL 7.A N CYS 24.A O no hydrogen 2.742 N/A HIS 9.A N ILE 26.A O no hydrogen 2.938 N/A HIS 9.A ND1 SER 11.A OG no hydrogen 2.774 N/A SER 11.A N HIS 9.A ND1 no hydrogen 3.242 N/A SER 11.A OG HIS 9.A ND1 no hydrogen 2.774 N/A ALA 12.A N HIS 9.A O no hydrogen 3.057 N/A LYS 13.A N VAL 30.A O no hydrogen 2.752 N/A ALA 15.A N ILE 32.A O no hydrogen 3.069 N/A ALA 18.A N ALA 15.A O no hydrogen 3.138 N/A ILE 19.A N THR 36.A O no hydrogen 2.906 N/A ILE 20.A N MET 1.A O no hydrogen 3.051 N/A GLY 21.A N LEU 38.A O no hydrogen 2.782 N/A PHE 23.A N LEU 5.A O no hydrogen 2.994 N/A CYS 24.A SG GLY 21.A O no hydrogen 3.601 N/A CYS 24.A SG LEU 38.A O no hydrogen 3.886 N/A VAL 25.A N VAL 42.A O no hydrogen 2.803 N/A ILE 26.A N VAL 7.A O no hydrogen 2.718 N/A GLY 27.A N ILE 44.A O no hydrogen 2.898 N/A LYS 28.A N ASP 46.A OD1 no hydrogen 2.715 N/A ASN 29.A N SER 11.A OG no hydrogen 3.047 N/A VAL 31.A N ALA 48.A O no hydrogen 3.013 N/A ILE 32.A N LYS 13.A O no hydrogen 2.862 N/A GLY 33.A N ILE 50.A O no hydrogen 2.863 N/A ASN 35.A N SER 17.A OG no hydrogen 2.759 N/A ASN 35.A ND2 ASN 53.A OD1 no hydrogen 3.071 N/A THR 36.A OG1 GLY 51.A O no hydrogen 2.735 N/A GLU 37.A N ASN 54.A O no hydrogen 2.749 N/A LEU 38.A N ILE 19.A O no hydrogen 2.779 N/A LYS 39.A N ILE 56.A O no hydrogen 2.940 N/A LYS 39.A NZ GLN 58.A OE1 no hydrogen 3.023 N/A SER 40.A OG HIS 41.A ND1 no hydrogen 2.991 N/A HIS 41.A N PRO 22.A O no hydrogen 3.106 N/A HIS 41.A ND1 SER 40.A OG no hydrogen 2.991 N/A THR 43.A N ALA 60.A O no hydrogen 3.140 N/A ILE 44.A N VAL 25.A O no hydrogen 2.832 N/A GLY 45.A N ILE 62.A O no hydrogen 2.671 N/A ASN 47.A N LYS 28.A O no hydrogen 2.816 N/A ASN 47.A ND2 SER 77.A O no hydrogen 3.671 N/A VAL 49.A N VAL 79.A O no hydrogen 2.983 N/A ILE 50.A N VAL 31.A O no hydrogen 2.855 N/A GLY 51.A N ILE 81.A O no hydrogen 2.965 N/A LYS 52.A N ASP 83.A OD1 no hydrogen 2.909 N/A ASN 53.A N GLU 34.A O no hydrogen 3.025 N/A ASN 53.A ND2 ASN 84.A OD1 no hydrogen 3.216 N/A ASN 54.A N THR 36.A OG1 no hydrogen 3.059 N/A ASN 54.A ND2 GLY 82.A O no hydrogen 2.803 N/A ARG 55.A N ASN 85.A O no hydrogen 2.883 N/A ILE 56.A N GLU 37.A O no hydrogen 2.832 N/A PHE 57.A N ILE 87.A O no hydrogen 2.809 N/A GLN 58.A N GLN 58.A OE1 no hydrogen 2.690 N/A TYR 59.A N HIS 41.A O no hydrogen 3.141 N/A ALA 60.A N PHE 57.A O no hydrogen 3.390 N/A SER 61.A N ALA 91.A O no hydrogen 2.875 N/A ILE 62.A N THR 43.A O no hydrogen 2.847 N/A GLY 63.A N ILE 93.A O no hydrogen 2.742 N/A ASP 65.A N ASP 64.A OD1 no hydrogen 2.688 N/A THR 70.A N ASP 68.A OD1 no hydrogen 3.151 N/A THR 70.A OG1 ASP 68.A OD1 no hydrogen 2.883 N/A TYR 71.A N ASP 68.A O no hydrogen 2.846 N/A ASP 75.A N LYS 72.A O no hydrogen 3.132 N/A SER 77.A OG GLY 96.A O no hydrogen 2.713 N/A GLN 78.A N GLY 102.A O no hydrogen 2.920 N/A GLN 78.A NE2 ASN 47.A O no hydrogen 2.670 N/A VAL 80.A N THR 104.A O no hydrogen 2.802 N/A ILE 81.A N VAL 49.A O no hydrogen 2.777 N/A GLY 82.A N VAL 106.A O no hydrogen 2.792 N/A ASP 83.A N ASN 108.A OD1 no hydrogen 2.721 N/A ASN 84.A N LYS 52.A O no hydrogen 2.925 N/A ASN 84.A ND2 ASN 109.A OD1 no hydrogen 3.361 N/A ASN 85.A N ASN 54.A OD1 no hydrogen 2.801 N/A ASN 85.A ND2 ASN 54.A OD1 no hydrogen 3.052 N/A ASN 85.A ND2 GLY 107.A O no hydrogen 2.957 N/A ILE 86.A N ASN 110.A O no hydrogen 2.885 N/A ILE 87.A N ARG 55.A O no hydrogen 2.936 N/A ARG 88.A N ILE 112.A O no hydrogen 2.805 N/A ARG 88.A NH1 GLU 89.A OE1 no hydrogen 3.350 N/A GLU 89.A N GLU 89.A OE1 no hydrogen 2.761 N/A CYS 90.A N GLN 58.A O no hydrogen 3.428 N/A ALA 91.A N ARG 88.A O no hydrogen 3.406 N/A THR 92.A N VAL 116.A O no hydrogen 2.801 N/A THR 92.A OG1 HIS 117.A ND1 no hydrogen 2.922 N/A ILE 93.A N SER 61.A O no hydrogen 2.904 N/A HIS 94.A N ILE 118.A O no hydrogen 3.072 N/A GLY 95.A N ASP 64.A O no hydrogen 3.037 N/A GLY 96.A N GLN 78.A O no hydrogen 3.275 N/A THR 97.A N ASP 121.A OD1 no hydrogen 2.857 N/A THR 97.A OG1 ASP 121.A OD1 no hydrogen 3.488 N/A THR 97.A OG1 ASP 121.A OD2 no hydrogen 2.598 N/A LYS 99.A NZ ASP 68.A OD2 no hydrogen 2.703 N/A GLU 100.A N THR 97.A O no hydrogen 3.296 N/A THR 104.A N GLN 78.A O no hydrogen 2.880 N/A THR 104.A OG1 HIS 94.A O no hydrogen 2.610 N/A SER 105.A N CYS 122.A O no hydrogen 3.032 N/A VAL 106.A N VAL 80.A O no hydrogen 2.701 N/A GLY 107.A N ILE 124.A O no hydrogen 2.926 N/A ASN 108.A N SER 126.A OG no hydrogen 2.887 N/A ASN 109.A N ASP 83.A O no hydrogen 2.920 N/A ASN 110.A N ASN 85.A OD1 no hydrogen 2.902 N/A ASN 110.A ND2 ASN 85.A OD1 no hydrogen 2.949 N/A ASN 110.A ND2 GLY 125.A O no hydrogen 2.926 N/A ILE 111.A N ILE 128.A O no hydrogen 2.866 N/A ILE 112.A N ILE 86.A O no hydrogen 2.832 N/A MET 113.A N LEU 130.A O no hydrogen 3.000 N/A CYS 114.A SG GLU 89.A OE1 no hydrogen 3.625 N/A TYR 115.A N GLU 89.A O no hydrogen 3.090 N/A VAL 116.A N MET 113.A O no hydrogen 3.381 N/A HIS 117.A N VAL 134.A O no hydrogen 2.968 N/A HIS 117.A ND1 THR 92.A OG1 no hydrogen 2.922 N/A ILE 118.A N THR 92.A O no hydrogen 2.869 N/A GLY 119.A N LEU 136.A O no hydrogen 2.791 N/A HIS 120.A ND1 ASP 121.A OD2 no hydrogen 2.687 N/A ASP 121.A N THR 104.A OG1 no hydrogen 2.890 N/A CYS 122.A N GLY 119.A O no hydrogen 3.432 N/A CYS 122.A SG GLY 119.A O no hydrogen 3.350 N/A CYS 122.A SG ALA 137.A O no hydrogen 3.394 N/A LYS 123.A N VAL 140.A O no hydrogen 2.888 N/A ILE 124.A N SER 105.A O no hydrogen 2.865 N/A GLY 125.A N ILE 142.A O no hydrogen 2.872 N/A SER 126.A N ASP 144.A OD1 no hydrogen 2.806 N/A TYR 127.A N ASN 108.A O no hydrogen 2.885 N/A ILE 128.A N ASN 110.A OD1 no hydrogen 2.840 N/A ASN 129.A N ALA 146.A O no hydrogen 3.161 N/A LEU 130.A N ILE 111.A O no hydrogen 2.896 N/A VAL 131.A N LEU 148.A O no hydrogen 2.948 N/A GLY 133.A N CYS 114.A O no hydrogen 2.935 N/A VAL 134.A N VAL 131.A O no hydrogen 3.196 N/A GLY 135.A N VAL 152.A O no hydrogen 2.947 N/A LEU 136.A N HIS 117.A O no hydrogen 2.781 N/A ALA 137.A N VAL 154.A O no hydrogen 3.233 N/A HIS 139.A N HIS 120.A O no hydrogen 2.934 N/A HIS 139.A ND1 GLU 100.A OE2 no hydrogen 2.770 N/A HIS 141.A N CYS 158.A O no hydrogen 3.044 N/A ILE 142.A N LYS 123.A O no hydrogen 2.909 N/A ASP 143.A N VAL 160.A O no hydrogen 2.883 N/A TYR 145.A N SER 126.A O no hydrogen 2.959 N/A ALA 146.A N ASP 143.A O no hydrogen 3.387 N/A ILE 147.A N ALA 164.A O no hydrogen 2.865 N/A LEU 148.A N ASN 129.A O no hydrogen 3.025 N/A SER 149.A N ILE 166.A O no hydrogen 2.880 N/A SER 149.A OG ILE 166.A O no hydrogen 2.831 N/A SER 150.A OG ASN 132.A O no hydrogen 2.855 N/A ASN 151.A N ASN 132.A O no hydrogen 3.034 N/A VAL 152.A N SER 149.A O no hydrogen 3.286 N/A GLY 153.A N ALA 170.A O no hydrogen 3.063 N/A VAL 154.A N GLY 135.A O no hydrogen 3.018 N/A HIS 155.A N VAL 172.A O no hydrogen 2.881 N/A PHE 157.A N GLY 138.A O no hydrogen 3.194 N/A CYS 158.A N HIS 155.A O no hydrogen 3.415 N/A CYS 158.A SG HIS 155.A O no hydrogen 3.528 N/A CYS 158.A SG GLN 156.A O no hydrogen 3.935 N/A CYS 158.A SG VAL 172.A O no hydrogen 3.839 N/A ARG 159.A N ASP 175.A OD1 no hydrogen 2.875 N/A ARG 159.A NE ASP 143.A OD2 no hydrogen 2.830 N/A ARG 159.A NH1 ASP 248.A OD1 no hydrogen 3.309 N/A ARG 159.A NH2 ASP 143.A OD2 no hydrogen 2.934 N/A ARG 159.A NH2 ASP 248.A OD2 no hydrogen 2.873 N/A VAL 160.A N HIS 141.A O no hydrogen 2.873 N/A GLY 161.A N VAL 176.A O no hydrogen 2.772 N/A HIS 163.A N ASP 144.A O no hydrogen 3.023 N/A ALA 164.A N GLY 161.A O no hydrogen 3.332 N/A PHE 165.A N LEU 180.A O no hydrogen 2.795 N/A ILE 166.A N ILE 147.A O no hydrogen 2.807 N/A ALA 167.A N VAL 182.A O no hydrogen 2.758 N/A ALA 169.A N SER 150.A O no hydrogen 2.922 N/A ALA 170.A N ALA 167.A O no hydrogen 3.209 N/A LEU 171.A N GLY 188.A O no hydrogen 3.071 N/A VAL 172.A N GLY 153.A O no hydrogen 2.737 N/A LYS 174.A NZ ILE 257.A O no hydrogen 3.015 N/A ASP 175.A N GLY 256.A O no hydrogen 2.918 N/A VAL 176.A N ARG 159.A O no hydrogen 2.836 N/A TYR 179.A N LYS 162.A O no hydrogen 2.829 N/A TYR 179.A OH VAL 242.A O no hydrogen 2.652 N/A MET 181.A N GLY 193.A O no hydrogen 2.941 N/A VAL 182.A N PHE 165.A O no hydrogen 2.807 N/A THR 183.A N THR 190.A O no hydrogen 3.049 N/A SER 189.A OG LEU 171.A O no hydrogen 2.980 N/A THR 190.A N THR 183.A O no hydrogen 3.050 N/A CYS 192.A N MET 181.A O no hydrogen 2.799 N/A CYS 192.A SG CYS 192.A O no hydrogen 2.684 N/A GLY 193.A N TYR 216.A OH no hydrogen 2.984 N/A ASN 195.A N TYR 179.A O no hydrogen 2.694 N/A ASN 195.A ND2 HIS 163.A O no hydrogen 2.824 N/A THR 196.A N ILE 194.A O no hydrogen 2.737 N/A GLY 198.A N ASN 195.A OD1 no hydrogen 3.322 N/A LEU 199.A N ASN 195.A O no hydrogen 3.060 N/A LYS 200.A N THR 196.A O no hydrogen 2.983 N/A ARG 201.A N GLU 197.A O no hydrogen 3.222 N/A ARG 201.A NE GLU 197.A OE2 no hydrogen 2.995 N/A ARG 202.A N GLY 198.A O no hydrogen 3.030 N/A ARG 202.A N LEU 199.A O no hydrogen 3.236 N/A ARG 202.A NH1 HIS 163.A ND1 no hydrogen 3.092 N/A GLY 203.A N LYS 200.A O no hydrogen 3.245 N/A PHE 204.A N LEU 199.A O no hydrogen 3.048 N/A THR 205.A N GLU 208.A OE1 no hydrogen 3.166 N/A GLU 207.A N GLU 207.A OE2 no hydrogen 2.836 N/A GLU 208.A N THR 205.A OG1 no hydrogen 3.319 N/A MET 209.A N THR 205.A O no hydrogen 2.969 N/A LYS 210.A N PRO 206.A O no hydrogen 2.879 N/A LYS 211.A N GLU 207.A O no hydrogen 3.202 N/A ILE 212.A N GLU 208.A O no hydrogen 3.006 N/A LYS 213.A N MET 209.A O no hydrogen 3.001 N/A GLU 214.A N LYS 210.A O no hydrogen 3.050 N/A VAL 215.A N LYS 211.A O no hydrogen 3.030 N/A TYR 216.A N ILE 212.A O no hydrogen 3.062 N/A LYS 217.A N LYS 213.A O no hydrogen 3.030 N/A VAL 218.A N GLU 214.A O no hydrogen 2.928 N/A LEU 219.A N VAL 215.A O no hydrogen 2.884 N/A TYR 220.A N TYR 216.A O no hydrogen 2.857 N/A TYR 220.A OH LEU 258.A O no hydrogen 2.733 N/A ARG 221.A N LYS 217.A O no hydrogen 2.722 N/A ARG 221.A NH1 TYR 220.A O no hydrogen 2.746 N/A ARG 221.A NH1 ASP 260.A OD2 no hydrogen 3.167 N/A LYS 222.A NZ GLU 214.A OE2 no hydrogen 2.481 N/A ALA 229.A N MET 225.A O no hydrogen 2.897 N/A PHE 230.A N MET 226.A O no hydrogen 2.874 N/A GLU 231.A N LYS 227.A O no hydrogen 3.246 N/A ILE 232.A N GLU 228.A O no hydrogen 3.261 N/A ILE 233.A N ALA 229.A O no hydrogen 2.915 N/A LYS 234.A N PHE 230.A O no hydrogen 2.905 N/A LYS 234.A NZ GLU 231.A OE1 no hydrogen 3.019 N/A GLU 235.A N GLU 231.A O no hydrogen 3.312 N/A MET 236.A N ILE 232.A O no hydrogen 2.995 N/A ALA 237.A N ILE 233.A O no hydrogen 2.908 N/A LYS 238.A N GLU 235.A O no hydrogen 3.258 N/A LYS 238.A NZ GLU 235.A OE1 no hydrogen 2.925 N/A ASP 240.A N MET 236.A O no hydrogen 3.081 N/A LEU 243.A N ASP 240.A O no hydrogen 3.135 N/A GLU 244.A N LYS 241.A O no hydrogen 3.137 N/A PHE 246.A N LEU 243.A O no hydrogen 2.872 N/A ASP 248.A N GLU 244.A O no hydrogen 3.102 N/A VAL 249.A N PRO 245.A O no hydrogen 3.090 N/A ILE 250.A N PHE 246.A O no hydrogen 3.031 N/A GLY 251.A N VAL 247.A O no hydrogen 2.890 N/A THR 252.A N ASP 248.A O no hydrogen 3.123 N/A THR 252.A OG1 ASP 248.A O no hydrogen 2.713 N/A SER 253.A N ILE 250.A O no hydrogen 3.476 N/A SER 253.A OG ASP 175.A OD2 no hydrogen 2.698 N/A ARG 254.A NH2 GLU 100.A OE2 no hydrogen 3.428 N/A ARG 255.A NH1 GLN 156.A O no hydrogen 2.734 N/A LEU 258.A N ASP 175.A O no hydrogen 2.808 N/A ARG 259.A NE ILE 257.A O no hydrogen 3.212 N/A ASN 262.A N ASP 260.A OD1 no hydrogen 3.064 N/A SER 263.A N ASP 260.A O no hydrogen 3.300 N/A SER 263.A OG ASP 260.A O no hydrogen 3.469 N/A SER 265.A N ASN 262.A O no hydrogen 3.176 N/A VAL 266.A N SER 263.A O no hydrogen 2.905 N/A LYS 268.A N ARG 221.A O no hydrogen 2.952 N/A ALA 270.A N ASP 267.A O no hydrogen 2.927 N/A ALA 270.A N ASP 267.A OD1 no hydrogen 3.137 N/A ALA 271.A N ASP 267.A O no hydrogen 3.094 N/A ALA 271.A N LYS 268.A O no hydrogen 3.221 N/A ALA 272.A N LYS 268.A O no hydrogen 2.899 N/A