Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4twk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 6.A N ILE 2.A O no hydrogen 2.976 N/A TRP 7.A N ASN 3.A O no hydrogen 3.285 N/A LYS 8.A N VAL 4.A O no hydrogen 3.121 N/A THR 9.A N MET 5.A O no hydrogen 3.388 N/A THR 9.A OG1 MET 5.A O no hydrogen 2.683 N/A VAL 10.A N LYS 6.A O no hydrogen 3.379 N/A SER 11.A N TRP 7.A O no hydrogen 3.013 N/A SER 11.A OG TRP 7.A O no hydrogen 2.897 N/A THR 12.A N LYS 8.A O no hydrogen 3.353 N/A THR 12.A OG1 LYS 8.A O no hydrogen 2.899 N/A ILE 13.A N THR 9.A O no hydrogen 2.979 N/A PHE 14.A N VAL 10.A O no hydrogen 2.885 N/A LEU 15.A N SER 11.A O no hydrogen 3.060 N/A VAL 16.A N THR 12.A O no hydrogen 2.854 N/A VAL 17.A N ILE 13.A O no hydrogen 2.812 N/A VAL 18.A N PHE 14.A O no hydrogen 2.926 N/A LEU 19.A N LEU 15.A O no hydrogen 2.865 N/A TYR 20.A N VAL 16.A O no hydrogen 2.824 N/A LEU 21.A N VAL 17.A O no hydrogen 2.886 N/A ILE 22.A N VAL 18.A O no hydrogen 3.046 N/A ILE 23.A N LEU 19.A O no hydrogen 3.008 N/A GLY 24.A N TYR 20.A O no hydrogen 3.028 N/A ALA 25.A N LEU 21.A O no hydrogen 2.928 N/A THR 26.A N ILE 22.A O no hydrogen 3.068 N/A THR 26.A OG1 ILE 22.A O no hydrogen 2.727 N/A VAL 27.A N ILE 23.A O no hydrogen 2.873 N/A PHE 28.A N GLY 24.A O no hydrogen 2.817 N/A LYS 29.A N ALA 25.A O no hydrogen 3.084 N/A ALA 30.A N THR 26.A O no hydrogen 3.184 N/A LEU 31.A N VAL 27.A O no hydrogen 3.036 N/A GLU 32.A N PHE 28.A O no hydrogen 2.821 N/A GLN 33.A N LYS 29.A O no hydrogen 2.929 N/A GLU 36.A N GLU 32.A O no hydrogen 3.204 N/A ILE 37.A N GLN 33.A O no hydrogen 2.957 N/A SER 38.A N PRO 34.A O no hydrogen 3.207 N/A GLN 39.A N HIS 35.A O no hydrogen 3.047 N/A ARG 40.A N GLU 36.A O no hydrogen 2.929 N/A THR 41.A N ILE 37.A O no hydrogen 3.126 N/A THR 41.A OG1 SER 38.A O no hydrogen 2.873 N/A THR 42.A OG1 SER 38.A O no hydrogen 3.091 N/A ILE 43.A N GLN 39.A O no hydrogen 3.336 N/A VAL 44.A N ARG 40.A O no hydrogen 2.990 N/A ILE 45.A N THR 41.A O no hydrogen 2.830 N/A GLN 46.A N THR 42.A O no hydrogen 3.078 N/A LYS 47.A N ILE 43.A O no hydrogen 2.810 N/A GLN 48.A N VAL 44.A O no hydrogen 3.050 N/A THR 49.A N ILE 45.A O no hydrogen 3.088 N/A THR 49.A OG1 ILE 45.A O no hydrogen 2.707 N/A PHE 50.A N GLN 46.A O no hydrogen 3.143 N/A ILE 51.A N LYS 47.A O no hydrogen 3.445 N/A SER 52.A N GLN 48.A O no hydrogen 3.041 N/A SER 52.A OG GLN 48.A O no hydrogen 2.746 N/A GLN 53.A N THR 49.A O no hydrogen 2.877 N/A HIS 54.A N PHE 50.A O no hydrogen 2.812 N/A HIS 54.A ND1 PHE 50.A O no hydrogen 2.983 N/A VAL 57.A N HIS 54.A O no hydrogen 3.330 N/A GLU 61.A N ASN 58.A OD1 no hydrogen 2.801 N/A LEU 62.A N ASN 58.A O no hydrogen 3.175 N/A ASP 63.A N SER 59.A O no hydrogen 3.069 N/A GLU 64.A N THR 60.A O no hydrogen 3.130 N/A LEU 65.A N GLU 61.A O no hydrogen 2.950 N/A ILE 66.A N LEU 62.A O no hydrogen 2.979 N/A GLN 67.A N ASP 63.A O no hydrogen 3.284 N/A ILE 69.A N LEU 65.A O no hydrogen 3.020 N/A VAL 70.A N ILE 66.A O no hydrogen 2.871 N/A ALA 71.A N GLN 67.A O no hydrogen 3.104 N/A ALA 72.A N GLN 68.A O no hydrogen 3.043 N/A ILE 73.A N ILE 69.A O no hydrogen 2.999 N/A ASN 74.A N VAL 70.A O no hydrogen 2.791 N/A ALA 75.A N ALA 71.A O no hydrogen 3.019 N/A GLY 76.A N ALA 72.A O no hydrogen 3.170 N/A GLY 76.A N ILE 73.A O no hydrogen 2.960 N/A ILE 77.A N ALA 72.A O no hydrogen 3.123 N/A ILE 78.A N GLN 86.A OE1 no hydrogen 3.097 N/A LEU 80.A N ILE 78.A O no hydrogen 2.785 N/A THR 83.A OG1 ASN 82.A O no hydrogen 2.710 N/A SER 84.A N ASN 82.A OD1 no hydrogen 3.366 N/A ASN 85.A ND2 LEU 80.A O no hydrogen 3.677 N/A GLN 86.A N THR 83.A O no hydrogen 3.174 N/A HIS 89.A NE2 GLY 215.A O no hydrogen 2.878 N/A TRP 90.A N SER 88.A OG no hydrogen 3.262 N/A SER 94.A N ASP 91.A OD1 no hydrogen 3.284 N/A SER 94.A OG SER 88.A O no hydrogen 3.545 N/A SER 94.A OG ASP 91.A OD2 no hydrogen 2.699 N/A SER 95.A N ASP 91.A O no hydrogen 2.884 N/A SER 95.A OG ASP 91.A O no hydrogen 2.739 N/A PHE 96.A N LEU 92.A O no hydrogen 2.987 N/A PHE 97.A N GLY 93.A O no hydrogen 3.156 N/A PHE 98.A N SER 94.A O no hydrogen 2.849 N/A ALA 99.A N SER 95.A O no hydrogen 2.805 N/A GLY 100.A N PHE 96.A O no hydrogen 3.157 N/A THR 101.A N PHE 97.A O no hydrogen 3.095 N/A THR 101.A OG1 PHE 98.A O no hydrogen 2.625 N/A VAL 102.A N PHE 98.A O no hydrogen 3.226 N/A VAL 102.A N ALA 99.A O no hydrogen 3.238 N/A ILE 103.A N ALA 99.A O no hydrogen 3.168 N/A THR 104.A N GLY 100.A O no hydrogen 2.973 N/A THR 104.A OG1 GLY 100.A O no hydrogen 2.785 N/A THR 105.A N VAL 102.A O no hydrogen 3.169 N/A THR 105.A OG1 THR 104.A O no hydrogen 2.852 N/A ILE 106.A N THR 104.A OG1 no hydrogen 3.404 N/A GLY 107.A N THR 101.A O no hydrogen 2.806 N/A ASN 110.A N ASP 211.A OD2 no hydrogen 3.269 N/A ASN 110.A ND2 ASP 211.A OD2 no hydrogen 3.520 N/A ILE 111.A N PHE 108.A O no hydrogen 3.250 N/A SER 112.A OG PRO 113.A O no hydrogen 3.426 N/A GLY 118.A N THR 115.A OG1 no hydrogen 3.215 N/A LYS 119.A N THR 115.A O no hydrogen 2.989 N/A ILE 120.A N GLU 116.A O no hydrogen 2.892 N/A PHE 121.A N GLY 117.A O no hydrogen 2.831 N/A CYS 122.A N GLY 118.A O no hydrogen 2.884 N/A ILE 123.A N LYS 119.A O no hydrogen 3.111 N/A ILE 124.A N ILE 120.A O no hydrogen 3.314 N/A TYR 125.A N PHE 121.A O no hydrogen 2.754 N/A ALA 126.A N CYS 122.A O no hydrogen 2.890 N/A LEU 127.A N ILE 123.A O no hydrogen 3.046 N/A LEU 128.A N ILE 124.A O no hydrogen 3.097 N/A GLY 129.A N TYR 125.A O no hydrogen 2.810 N/A ILE 130.A N ALA 126.A O no hydrogen 2.978 N/A LEU 132.A N LEU 128.A O no hydrogen 3.451 N/A PHE 133.A N GLY 129.A O no hydrogen 2.848 N/A GLY 134.A N ILE 130.A O no hydrogen 3.031 N/A PHE 135.A N PRO 131.A O no hydrogen 3.371 N/A PHE 135.A N LEU 132.A O no hydrogen 3.216 N/A LEU 137.A N PHE 133.A O no hydrogen 2.935 N/A ALA 138.A N GLY 134.A O no hydrogen 2.930 N/A GLY 139.A N PHE 135.A O no hydrogen 3.061 N/A VAL 140.A N LEU 136.A O no hydrogen 2.976 N/A GLY 141.A N LEU 137.A O no hydrogen 2.986 N/A ASP 142.A N ALA 138.A O no hydrogen 2.961 N/A GLN 143.A N GLY 139.A O no hydrogen 3.120 N/A LEU 144.A N VAL 140.A O no hydrogen 2.921 N/A GLY 145.A N GLY 141.A O no hydrogen 2.867 N/A THR 146.A N ASP 142.A O no hydrogen 3.119 N/A THR 146.A OG1 ASP 142.A O no hydrogen 2.867 N/A ILE 147.A N GLN 143.A O no hydrogen 3.073 N/A PHE 148.A N LEU 144.A O no hydrogen 2.952 N/A GLY 149.A N GLY 145.A O no hydrogen 2.893 N/A LYS 150.A N THR 146.A O no hydrogen 3.080 N/A GLY 151.A N ILE 147.A O no hydrogen 3.260 N/A ILE 152.A N PHE 148.A O no hydrogen 2.921 N/A ALA 153.A N GLY 149.A O no hydrogen 2.993 N/A VAL 155.A N GLY 151.A O no hydrogen 3.322 N/A GLU 156.A N ILE 152.A O no hydrogen 2.807 N/A ASP 157.A N ALA 153.A O no hydrogen 3.042 N/A THR 158.A N LYS 154.A O no hydrogen 3.170 N/A THR 158.A OG1 LYS 154.A O no hydrogen 2.709 N/A PHE 159.A N VAL 155.A O no hydrogen 3.010 N/A ILE 160.A N GLU 156.A O no hydrogen 2.886 N/A LYS 161.A NZ ASP 157.A O no hydrogen 2.811 N/A TRP 162.A N THR 158.A O no hydrogen 3.268 N/A VAL 164.A N PHE 159.A O no hydrogen 3.226 N/A LYS 168.A N SER 165.A O no hydrogen 3.039 N/A ILE 169.A N SER 165.A O no hydrogen 3.088 N/A ARG 170.A N GLN 166.A O no hydrogen 3.135 N/A ILE 171.A N THR 167.A O no hydrogen 3.252 N/A ILE 172.A N LYS 168.A O no hydrogen 2.930 N/A SER 173.A N ILE 169.A O no hydrogen 2.932 N/A SER 173.A OG ILE 169.A O no hydrogen 3.094 N/A THR 174.A N ARG 170.A O no hydrogen 3.235 N/A THR 174.A OG1 ARG 170.A O no hydrogen 2.727 N/A ILE 175.A N ILE 171.A O no hydrogen 3.299 N/A ILE 176.A N ILE 172.A O no hydrogen 3.091 N/A PHE 177.A N SER 173.A O no hydrogen 3.031 N/A ILE 178.A N THR 174.A O no hydrogen 2.936 N/A LEU 179.A N ILE 175.A O no hydrogen 2.802 N/A PHE 180.A N ILE 176.A O no hydrogen 2.865 N/A GLY 181.A N ILE 178.A O no hydrogen 3.152 N/A CYS 182.A N ILE 178.A O no hydrogen 3.228 N/A CYS 182.A SG ILE 178.A O no hydrogen 3.303 N/A VAL 183.A N LEU 179.A O no hydrogen 2.964 N/A LEU 184.A N PHE 180.A O no hydrogen 3.381 N/A PHE 185.A N GLY 181.A O no hydrogen 3.053 N/A ALA 187.A N CYS 182.A O no hydrogen 2.819 N/A LEU 188.A N VAL 183.A O no hydrogen 2.865 N/A ALA 196.A N SER 192.A O no hydrogen 3.154 N/A ILE 197.A N ALA 193.A O no hydrogen 2.995 N/A TYR 198.A N LEU 194.A O no hydrogen 2.802 N/A PHE 199.A N ASP 195.A O no hydrogen 3.121 N/A VAL 200.A N ALA 196.A O no hydrogen 3.093 N/A VAL 201.A N ILE 197.A O no hydrogen 2.944 N/A ILE 202.A N TYR 198.A O no hydrogen 3.033 N/A THR 203.A N PHE 199.A O no hydrogen 3.005 N/A THR 203.A OG1 PHE 199.A O no hydrogen 2.682 N/A LEU 204.A N VAL 200.A O no hydrogen 2.816 N/A THR 205.A N VAL 201.A O no hydrogen 3.016 N/A THR 205.A OG1 VAL 201.A O no hydrogen 2.646 N/A THR 205.A OG1 ILE 202.A O no hydrogen 3.386 N/A THR 206.A N THR 203.A O no hydrogen 2.958 N/A THR 206.A OG1 THR 205.A O no hydrogen 2.677 N/A ILE 207.A N ILE 202.A O no hydrogen 3.015 N/A GLY 208.A N ILE 202.A O no hydrogen 2.998 N/A TRP 224.A N LYS 220.A O no hydrogen 3.298 N/A PHE 225.A N PRO 221.A O no hydrogen 3.194 N/A TRP 226.A N VAL 222.A O no hydrogen 2.852 N/A TRP 226.A NE1 LEU 184.A O no hydrogen 2.796 N/A ILE 227.A N VAL 223.A O no hydrogen 2.909 N/A LEU 228.A N TRP 224.A O no hydrogen 3.072 N/A VAL 229.A N PHE 225.A O no hydrogen 2.840 N/A GLY 230.A N TRP 226.A O no hydrogen 2.881 N/A LEU 231.A N ILE 227.A O no hydrogen 2.832 N/A ALA 232.A N LEU 228.A O no hydrogen 3.107 N/A TYR 233.A N VAL 229.A O no hydrogen 2.791 N/A TYR 233.A OH PHE 177.A O no hydrogen 2.679 N/A PHE 234.A N GLY 230.A O no hydrogen 3.033 N/A ALA 235.A N LEU 231.A O no hydrogen 2.940 N/A ALA 236.A N ALA 232.A O no hydrogen 3.212 N/A VAL 237.A N TYR 233.A O no hydrogen 2.997 N/A LEU 238.A N PHE 234.A O no hydrogen 2.974 N/A SER 239.A N ALA 235.A O no hydrogen 3.013 N/A MET 240.A N ALA 236.A O no hydrogen 3.111 N/A ILE 241.A N VAL 237.A O no hydrogen 3.109 N/A GLY 242.A N LEU 238.A O no hydrogen 2.975 N/A ASP 243.A N SER 239.A O no hydrogen 3.000 N/A TRP 244.A N MET 240.A O no hydrogen 3.052 N/A LEU 245.A N ILE 241.A O no hydrogen 2.920 N/A ARG 246.A N GLY 242.A O no hydrogen 3.076 N/A ARG 246.A NH1 GLY 242.A O no hydrogen 3.157 N/A VAL 247.A N ASP 243.A O no hydrogen 3.179 N/A ILE 248.A N TRP 244.A O no hydrogen 3.124 N/A SER 249.A N LEU 245.A O no hydrogen 2.948 N/A ALA 250.A N ARG 246.A O no hydrogen 3.126 N/A GLU 251.A N VAL 247.A O no hydrogen 2.815 N/A ASN 252.A N ILE 248.A O no hydrogen 3.092 N/A ASN 252.A ND2 ILE 248.A O no hydrogen 3.121 N/A LEU 253.A N SER 249.A O no hydrogen 2.947 N/A TYR 254.A N ALA 250.A O no hydrogen 2.819 N/A PHE 255.A N GLU 251.A O no hydrogen 3.149 N/A