Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4tkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N ASN 1.A O no hydrogen 2.882 N/A ILE 6.A N LYS 2.A O no hydrogen 2.924 N/A LEU 7.A N ARG 3.A O no hydrogen 3.229 N/A LEU 8.A N LEU 4.A O no hydrogen 2.877 N/A GLU 9.A N ILE 5.A O no hydrogen 2.900 N/A CYS 10.A N ILE 6.A O no hydrogen 3.139 N/A CYS 10.A SG ILE 6.A O no hydrogen 3.320 N/A CYS 10.A SG ALA 51.A O no hydrogen 3.432 N/A ALA 11.A N LEU 7.A O no hydrogen 3.075 N/A ILE 12.A N LEU 8.A O no hydrogen 2.775 N/A PHE 13.A N GLU 9.A O no hydrogen 2.989 N/A ALA 14.A N CYS 10.A O no hydrogen 2.981 N/A ALA 15.A N ALA 11.A O no hydrogen 2.965 N/A VAL 16.A N ILE 12.A O no hydrogen 2.859 N/A ALA 17.A N PHE 13.A O no hydrogen 3.048 N/A MET 18.A N ALA 14.A O no hydrogen 2.976 N/A VAL 19.A N ALA 15.A O no hydrogen 2.933 N/A LEU 20.A N VAL 16.A O no hydrogen 2.987 N/A SER 21.A N ALA 17.A O no hydrogen 3.134 N/A SER 21.A OG ALA 17.A O no hydrogen 2.954 N/A PHE 22.A N VAL 19.A O no hydrogen 3.038 N/A ILE 23.A N LEU 20.A O no hydrogen 3.004 N/A ILE 27.A N PHE 31.A O no hydrogen 3.019 N/A SER 32.A N SER 158.A OG no hydrogen 3.190 N/A SER 32.A OG ASP 26.A OD1 no hydrogen 2.595 N/A ILE 33.A N LEU 25.A O no hydrogen 3.045 N/A SER 34.A N THR 162.A OG1 no hydrogen 2.922 N/A MET 37.A N SER 34.A O no hydrogen 3.283 N/A ILE 38.A N LEU 35.A O no hydrogen 3.211 N/A TYR 41.A N MET 37.A O no hydrogen 2.737 N/A VAL 42.A N ILE 38.A O no hydrogen 3.344 N/A ILE 43.A N PRO 39.A O no hydrogen 3.312 N/A ALA 44.A N MET 40.A O no hydrogen 3.082 N/A ILE 45.A N TYR 41.A O no hydrogen 3.033 N/A ARG 46.A N VAL 42.A O no hydrogen 2.596 N/A ARG 46.A NE GLU 9.A OE1 no hydrogen 2.767 N/A ARG 46.A NE GLU 9.A OE2 no hydrogen 3.536 N/A ARG 46.A NH1 LEU 180.A O no hydrogen 3.051 N/A ARG 46.A NH2 GLU 9.A OE2 no hydrogen 3.219 N/A ARG 47.A N ILE 43.A O no hydrogen 2.942 N/A ARG 47.A NE GLU 9.A OE1 no hydrogen 2.913 N/A ARG 47.A NH2 GLU 9.A OE1 no hydrogen 3.510 N/A ARG 47.A NH2 GLU 9.A OE2 no hydrogen 2.855 N/A ALA 52.A N GLY 48.A O no hydrogen 3.173 N/A GLY 53.A N PHE 49.A O no hydrogen 3.267 N/A PHE 54.A N TRP 50.A O no hydrogen 3.079 N/A ALA 55.A N ALA 51.A O no hydrogen 2.866 N/A GLY 56.A N ALA 52.A O no hydrogen 2.941 N/A LEU 57.A N GLY 53.A O no hydrogen 2.832 N/A LEU 58.A N PHE 54.A O no hydrogen 2.984 N/A TRP 59.A N ALA 55.A O no hydrogen 3.052 N/A TRP 59.A NE1 SER 21.A OG no hydrogen 3.225 N/A GLY 60.A N GLY 56.A O no hydrogen 2.996 N/A LEU 61.A N LEU 57.A O no hydrogen 2.804 N/A LEU 62.A N LEU 58.A O no hydrogen 2.946 N/A LEU 62.A N TRP 59.A O no hydrogen 3.190 N/A HIS 63.A N GLY 60.A O no hydrogen 3.210 N/A HIS 63.A ND1 TRP 59.A O no hydrogen 2.698 N/A THR 66.A N LEU 62.A O no hydrogen 2.963 N/A THR 66.A OG1 LEU 62.A O no hydrogen 2.566 N/A THR 66.A OG1 HIS 63.A O no hydrogen 3.522 N/A GLY 67.A N PHE 64.A O no hydrogen 3.406 N/A LYS 68.A N HIS 63.A O no hydrogen 2.889 N/A TYR 70.A N TYR 81.A OH no hydrogen 2.793 N/A LEU 72.A N GLN 76.A OE1 no hydrogen 3.342 N/A GLN 76.A NE2 GLU 80.A OE1 no hydrogen 2.317 N/A ALA 77.A N MET 73.A O no hydrogen 3.241 N/A ILE 78.A N PRO 74.A O no hydrogen 3.276 N/A ILE 79.A N SER 75.A O no hydrogen 3.127 N/A GLU 80.A N GLN 76.A O no hydrogen 2.939 N/A TYR 81.A N ALA 77.A O no hydrogen 2.981 N/A LEU 83.A N ILE 78.A O no hydrogen 3.157 N/A ALA 84.A N ILE 79.A O no hydrogen 3.077 N/A SER 86.A N LEU 83.A O no hydrogen 3.095 N/A SER 86.A OG ILE 82.A O no hydrogen 2.490 N/A PHE 87.A N LEU 83.A O no hydrogen 3.277 N/A ALA 89.A N SER 86.A O no hydrogen 3.413 N/A PHE 90.A N PHE 87.A O no hydrogen 3.442 N/A SER 91.A N ILE 88.A O no hydrogen 2.948 N/A SER 91.A OG ILE 88.A O no hydrogen 2.919 N/A GLY 92.A N ALA 89.A O no hydrogen 3.101 N/A PHE 94.A N THR 117.A OG1 no hydrogen 3.303 N/A SER 95.A N GLY 92.A O no hydrogen 3.460 N/A SER 95.A OG ALA 44.A O no hydrogen 2.231 N/A SER 95.A OG GLY 92.A O no hydrogen 3.177 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 2.550 N/A VAL 98.A N PHE 94.A O no hydrogen 3.041 N/A ARG 99.A N SER 95.A O no hydrogen 2.984 N/A ARG 99.A NE ILE 45.A O no hydrogen 2.684 N/A SER 100.A N LYS 96.A O no hydrogen 2.810 N/A ASN 101.A N GLN 97.A O no hydrogen 3.054 N/A ASN 101.A ND2 GLN 97.A O no hydrogen 2.527 N/A LEU 102.A N VAL 98.A O no hydrogen 2.908 N/A ALA 103.A N ARG 99.A O no hydrogen 3.082 N/A ALA 104.A N ASN 101.A O no hydrogen 3.282 N/A ASN 105.A N LEU 102.A O no hydrogen 3.385 N/A GLN 106.A N ASN 101.A O no hydrogen 2.661 N/A ALA 110.A N GLN 106.A O no hydrogen 2.890 N/A ILE 111.A N LEU 107.A O no hydrogen 2.852 N/A GLU 112.A N LYS 108.A O no hydrogen 3.006 N/A TRP 113.A N LYS 109.A O no hydrogen 3.056 N/A ALA 114.A N ALA 110.A O no hydrogen 2.941 N/A TRP 115.A N ILE 111.A O no hydrogen 2.913 N/A TRP 115.A NE1 SER 171.A OG no hydrogen 2.854 N/A GLY 116.A N GLU 112.A O no hydrogen 3.250 N/A THR 117.A N TRP 113.A O no hydrogen 3.079 N/A THR 117.A OG1 SER 91.A O no hydrogen 2.483 N/A MET 118.A N ALA 114.A O no hydrogen 2.902 N/A ILE 119.A N TRP 115.A O no hydrogen 3.059 N/A ILE 120.A N GLY 116.A O no hydrogen 3.304 N/A GLY 121.A N THR 117.A O no hydrogen 3.115 N/A GLY 122.A N MET 118.A O no hydrogen 2.999 N/A VAL 123.A N ILE 119.A O no hydrogen 2.816 N/A ALA 124.A N ILE 120.A O no hydrogen 2.867 N/A ARG 125.A N GLY 121.A O no hydrogen 3.327 N/A ARG 125.A N GLY 122.A O no hydrogen 3.241 N/A ARG 125.A NE HIS 129.A NE2 no hydrogen 3.223 N/A ARG 125.A NH1 SER 34.A OG no hydrogen 3.144 N/A TYR 126.A N GLY 122.A O no hydrogen 3.103 N/A PHE 127.A N VAL 123.A O no hydrogen 3.013 N/A TRP 128.A N ARG 125.A O no hydrogen 3.186 N/A HIS 129.A ND1 GLU 80.A OE2 no hydrogen 3.140 N/A TYR 130.A N TYR 126.A O no hydrogen 2.822 N/A VAL 131.A N PHE 127.A O no hydrogen 2.936 N/A ALA 132.A N TRP 128.A O no hydrogen 3.057 N/A GLY 133.A N HIS 129.A O no hydrogen 2.920 N/A VAL 134.A N TYR 130.A O no hydrogen 3.266 N/A LEU 135.A N VAL 131.A O no hydrogen 3.168 N/A PHE 136.A N ALA 132.A O no hydrogen 2.685 N/A TRP 137.A N GLY 133.A O no hydrogen 3.104 N/A TRP 137.A NE1 GLU 80.A OE1 no hydrogen 2.911 N/A TYR 140.A N TRP 137.A O no hydrogen 3.279 N/A ALA 141.A N GLY 138.A O no hydrogen 3.191 N/A TRP 145.A N PHE 142.A O no hydrogen 3.309 N/A GLN 148.A NE2 TYR 130.A OH no hydrogen 3.152 N/A PHE 150.A N GLY 146.A O no hydrogen 3.012 N/A SER 151.A N ALA 147.A O no hydrogen 2.995 N/A SER 151.A N GLN 148.A O no hydrogen 3.218 N/A SER 151.A OG TYR 130.A O no hydrogen 2.609 N/A SER 151.A OG ASN 155.A OD1 no hydrogen 3.022 N/A ILE 152.A N GLN 148.A O no hydrogen 2.993 N/A VAL 153.A N LEU 149.A O no hydrogen 3.226 N/A MET 154.A N PHE 150.A O no hydrogen 3.259 N/A ASN 155.A N SER 151.A O no hydrogen 2.896 N/A GLY 156.A N ILE 152.A O no hydrogen 2.978 N/A ALA 157.A N VAL 153.A O no hydrogen 2.880 N/A SER 158.A N MET 154.A O no hydrogen 2.887 N/A SER 158.A OG SER 30.A O no hydrogen 3.178 N/A SER 158.A OG MET 154.A O no hydrogen 3.015 N/A CYS 159.A N ASN 155.A O no hydrogen 2.970 N/A LEU 160.A N GLY 156.A O no hydrogen 2.829 N/A GLY 161.A N ALA 157.A O no hydrogen 2.864 N/A THR 162.A N SER 158.A O no hydrogen 3.019 N/A THR 162.A OG1 TYR 126.A OH no hydrogen 3.110 N/A THR 162.A OG1 SER 158.A O no hydrogen 2.721 N/A VAL 163.A N CYS 159.A O no hydrogen 3.009 N/A LEU 164.A N LEU 160.A O no hydrogen 3.136 N/A VAL 165.A N GLY 161.A O no hydrogen 3.284 N/A SER 166.A N THR 162.A O no hydrogen 3.127 N/A SER 166.A OG THR 162.A O no hydrogen 2.819 N/A GLY 167.A N VAL 163.A O no hydrogen 2.750 N/A ILE 168.A N LEU 164.A O no hydrogen 3.139 N/A ILE 169.A N VAL 165.A O no hydrogen 3.460 N/A ILE 170.A N SER 166.A O no hydrogen 2.901 N/A SER 171.A N GLY 167.A O no hydrogen 2.881 N/A SER 171.A OG GLY 167.A O no hydrogen 2.689 N/A ILE 172.A N ILE 168.A O no hydrogen 3.027 N/A LEU 173.A N ILE 169.A O no hydrogen 2.863 N/A LEU 174.A N ILE 170.A O no hydrogen 2.836 N/A LYS 175.A N SER 171.A O no hydrogen 3.264 N/A THR 176.A N ILE 172.A O no hydrogen 2.715 N/A THR 176.A OG1 ILE 172.A O no hydrogen 3.077 N/A SER 177.A N LEU 173.A O no hydrogen 2.771 N/A LEU 180.A N SER 177.A O no hydrogen 3.394 N/A PHE 181.A N PRO 178.A O no hydrogen 3.033 N/A LEU 182.A N LYS 179.A O no hydrogen 3.226 N/A