Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1otw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 MET 2.A O no hydrogen 2.884 N/A ILE 4.A N ASN 206.A OD1 no hydrogen 3.119 N/A LEU 8.A N GLN 205.A OE1 no hydrogen 2.992 N/A GLN 11.A N GLN 11.A OE1 no hydrogen 2.760 N/A ALA 12.A N SER 9.A OG no hydrogen 3.157 N/A PHE 13.A N SER 9.A O no hydrogen 2.879 N/A GLU 14.A N PRO 10.A O no hydrogen 2.950 N/A GLU 15.A N GLN 11.A O no hydrogen 3.379 N/A ALA 16.A N ALA 12.A O no hydrogen 3.093 N/A LEU 17.A N PHE 13.A O no hydrogen 2.962 N/A ARG 18.A N GLU 14.A O no hydrogen 3.037 N/A ARG 18.A NH1 GLU 14.A OE1 no hydrogen 2.796 N/A ALA 19.A N GLU 15.A O no hydrogen 3.078 N/A LYS 20.A N LEU 17.A O no hydrogen 3.193 N/A LYS 20.A NZ GLN 213.A OE1 no hydrogen 2.712 N/A GLY 21.A N ARG 18.A O no hydrogen 2.915 N/A ASP 22.A N ALA 19.A O no hydrogen 3.294 N/A PHE 23.A N LYS 20.A O no hydrogen 2.946 N/A TYR 24.A N GLY 21.A O no hydrogen 3.227 N/A HIS 27.A N TYR 24.A O no hydrogen 3.144 N/A HIS 28.A N HIS 25.A O no hydrogen 3.076 N/A HIS 28.A NE2 ASP 224.A OD1 no hydrogen 2.864 N/A TYR 30.A N HIS 28.A ND1 no hydrogen 2.939 N/A TYR 30.A OH GLN 43.A O no hydrogen 2.841 N/A HIS 31.A NE2 SER 157.A OG no hydrogen 3.154 N/A ILE 32.A N HIS 28.A O no hydrogen 3.075 N/A ALA 33.A N PRO 29.A O no hydrogen 2.906 N/A MET 34.A N TYR 30.A O no hydrogen 3.278 N/A HIS 35.A N HIS 31.A O no hydrogen 2.813 N/A HIS 35.A ND1 SER 161.A OG no hydrogen 2.848 N/A ASN 36.A N ILE 32.A O no hydrogen 2.789 N/A GLY 37.A N ALA 33.A O no hydrogen 3.153 N/A GLY 37.A N MET 34.A O no hydrogen 3.356 N/A ASP 38.A N ALA 33.A O no hydrogen 2.936 N/A ALA 39.A N TYR 166.A OH no hydrogen 3.304 N/A THR 40.A N GLN 43.A OE1 no hydrogen 2.778 N/A GLN 43.A N THR 40.A OG1 no hydrogen 2.988 N/A GLN 43.A NE2 TYR 230.A O no hydrogen 2.809 N/A ILE 44.A N THR 40.A O no hydrogen 2.868 N/A GLN 45.A N ARG 41.A O no hydrogen 2.818 N/A GLN 45.A NE2 VAL 105.A O no hydrogen 2.778 N/A GLY 46.A N LYS 42.A O no hydrogen 2.871 N/A TRP 47.A N GLN 43.A O no hydrogen 3.065 N/A VAL 48.A N ILE 44.A O no hydrogen 2.855 N/A ALA 49.A N GLN 45.A O no hydrogen 2.879 N/A ASN 50.A N GLY 46.A O no hydrogen 2.855 N/A ASN 50.A ND2 GLY 46.A O no hydrogen 2.771 N/A ASN 50.A ND2 HIS 117.A O no hydrogen 3.326 N/A ARG 51.A N TRP 47.A O no hydrogen 2.881 N/A ARG 51.A NE GLN 55.A OE1 no hydrogen 2.938 N/A ARG 51.A NH2 GLN 55.A OE1 no hydrogen 2.942 N/A PHE 52.A N VAL 48.A O no hydrogen 3.275 N/A TYR 53.A N ASN 50.A O no hydrogen 3.076 N/A TYR 53.A OH ASP 127.A OD1 no hydrogen 2.501 N/A TYR 53.A OH ASP 127.A OD2 no hydrogen 3.397 N/A GLN 55.A N ARG 51.A O no hydrogen 2.915 N/A THR 56.A N PHE 52.A O no hydrogen 3.026 N/A THR 56.A OG1 PHE 52.A O no hydrogen 3.217 N/A THR 56.A OG1 TYR 53.A O no hydrogen 3.490 N/A THR 57.A N TYR 53.A O no hydrogen 3.269 N/A THR 57.A N TYR 54.A O no hydrogen 3.065 N/A THR 57.A OG1 TYR 53.A O no hydrogen 2.615 N/A ILE 58.A N TYR 54.A O no hydrogen 3.118 N/A LYS 61.A N THR 57.A O no hydrogen 2.870 N/A LYS 61.A NZ ASP 62.A OD2 no hydrogen 2.540 N/A ASP 62.A N ILE 58.A O no hydrogen 2.941 N/A ALA 63.A N PRO 59.A O no hydrogen 2.834 N/A ALA 64.A N LEU 60.A O no hydrogen 2.823 N/A ILE 65.A N LYS 61.A O no hydrogen 3.049 N/A MET 66.A N ASP 62.A O no hydrogen 3.051 N/A ALA 67.A N ALA 63.A O no hydrogen 2.972 N/A ASN 68.A N ILE 65.A O no hydrogen 2.940 N/A ASN 68.A ND2 ALA 133.A O no hydrogen 3.201 N/A ASN 68.A ND2 ARG 134.A O no hydrogen 2.815 N/A CYS 69.A N MET 66.A O no hydrogen 3.142 N/A CYS 69.A SG ASP 71.A O no hydrogen 3.789 N/A THR 74.A OG1 ASP 71.A OD2 no hydrogen 2.531 N/A ARG 75.A N ASP 71.A O no hydrogen 3.054 N/A ARG 75.A NH1 CYS 69.A O no hydrogen 2.841 N/A ARG 76.A N ALA 72.A O no hydrogen 2.944 N/A ARG 76.A NH1 GLN 73.A OE1 no hydrogen 3.237 N/A LYS 77.A N THR 74.A O no hydrogen 3.257 N/A TRP 78.A N THR 74.A O no hydrogen 2.930 N/A TRP 78.A NE1 ASP 62.A OD2 no hydrogen 2.740 N/A VAL 79.A N ARG 75.A O no hydrogen 3.133 N/A GLN 80.A N LYS 77.A O no hydrogen 3.119 N/A GLN 80.A NE2 GLN 80.A O no hydrogen 3.257 N/A GLN 80.A NE2 ASP 84.A OD1 no hydrogen 2.717 N/A ARG 81.A N TRP 78.A O no hydrogen 2.937 N/A ARG 81.A NH1 GLU 148.A OE2 no hydrogen 2.771 N/A ILE 82.A N VAL 79.A O no hydrogen 2.813 N/A LEU 83.A N VAL 79.A O no hydrogen 3.113 N/A ASP 84.A N GLN 80.A O no hydrogen 2.951 N/A HIS 85.A N ARG 81.A O no hydrogen 3.321 N/A ASP 86.A N ILE 82.A O no hydrogen 2.749 N/A GLY 87.A N LEU 83.A O no hydrogen 2.672 N/A SER 88.A N ASP 92.A OD2 no hydrogen 3.064 N/A GLY 90.A N ASP 92.A OD1 no hydrogen 3.270 N/A GLY 94.A N ASP 84.A O no hydrogen 2.783 N/A ILE 95.A N HIS 85.A O no hydrogen 3.145 N/A ALA 97.A N GLY 93.A O no hydrogen 3.204 N/A TRP 98.A N GLY 94.A O no hydrogen 2.744 N/A TRP 98.A NE1 VAL 48.A O no hydrogen 3.099 N/A LEU 99.A N ILE 95.A O no hydrogen 2.911 N/A ARG 100.A N GLU 96.A O no hydrogen 2.825 N/A LEU 101.A N ALA 97.A O no hydrogen 2.977 N/A GLY 102.A N TRP 98.A O no hydrogen 2.970 N/A GLU 103.A N LEU 99.A O no hydrogen 3.016 N/A ALA 104.A N ARG 100.A O no hydrogen 2.857 N/A VAL 105.A N LEU 101.A O no hydrogen 3.230 N/A VAL 105.A N GLY 102.A O no hydrogen 3.097 N/A GLY 106.A N GLU 103.A O no hydrogen 3.039 N/A LEU 107.A N GLY 102.A O no hydrogen 3.027 N/A SER 108.A N ASP 111.A OD2 no hydrogen 2.986 N/A ARG 109.A NH2 GLU 96.A OE1 no hydrogen 3.027 N/A ASP 111.A N SER 108.A OG no hydrogen 3.283 N/A LEU 113.A N ARG 109.A O no hydrogen 2.887 N/A SER 114.A N ASP 110.A O no hydrogen 2.925 N/A SER 114.A OG ASP 110.A O no hydrogen 2.758 N/A SER 114.A OG ASP 111.A O no hydrogen 3.097 N/A GLU 115.A N LEU 112.A O no hydrogen 3.098 N/A VAL 118.A N GLU 115.A O no hydrogen 3.286 N/A LEU 119.A N ASN 50.A OD1 no hydrogen 2.835 N/A ARG 123.A N LEU 119.A O no hydrogen 3.023 N/A PHE 124.A N PRO 120.A O no hydrogen 2.893 N/A ALA 125.A N GLY 121.A O no hydrogen 3.337 N/A VAL 126.A N VAL 122.A O no hydrogen 2.771 N/A ASP 127.A N ARG 123.A O no hydrogen 2.818 N/A ALA 128.A N PHE 124.A O no hydrogen 3.011 N/A ALA 128.A N ALA 125.A O no hydrogen 3.252 N/A LEU 130.A N VAL 126.A O no hydrogen 3.350 N/A ASN 131.A N ASP 127.A O no hydrogen 2.937 N/A PHE 132.A N ALA 128.A O no hydrogen 3.015 N/A ALA 133.A N TYR 129.A O no hydrogen 3.050 N/A ARG 134.A N LEU 130.A O no hydrogen 2.836 N/A ARG 135.A N ASN 131.A O no hydrogen 3.128 N/A ALA 136.A N PHE 132.A O no hydrogen 2.986 N/A CYS 137.A SG GLN 139.A OE1 no hydrogen 3.823 N/A CYS 137.A SG TYR 198.A OH no hydrogen 3.843 N/A GLN 139.A N GLN 139.A OE1 no hydrogen 2.958 N/A ALA 141.A N CYS 137.A O no hydrogen 3.111 N/A ALA 142.A N TRP 138.A O no hydrogen 2.765 N/A CYS 143.A N GLN 139.A O no hydrogen 2.948 N/A CYS 143.A SG GLN 139.A O no hydrogen 3.269 N/A SER 144.A N GLU 140.A O no hydrogen 3.181 N/A SER 144.A N ALA 141.A O no hydrogen 3.275 N/A SER 144.A OG ALA 141.A O no hydrogen 2.576 N/A SER 145.A N ALA 142.A O no hydrogen 3.155 N/A SER 145.A OG ALA 142.A O no hydrogen 2.549 N/A LEU 146.A N CYS 143.A O no hydrogen 3.046 N/A GLU 148.A N SER 145.A O no hydrogen 2.873 N/A LEU 149.A N LEU 146.A O no hydrogen 2.924 N/A PHE 150.A N THR 147.A O no hydrogen 2.972 N/A ALA 151.A N GLU 148.A O no hydrogen 3.147 N/A HIS 155.A N ALA 151.A O no hydrogen 2.993 N/A GLN 156.A N PRO 152.A O no hydrogen 2.969 N/A GLN 156.A NE2 ASP 160.A OD1 no hydrogen 3.002 N/A SER 157.A N GLN 153.A O no hydrogen 2.904 N/A SER 157.A OG HIS 31.A NE2 no hydrogen 3.154 N/A SER 157.A OG ILE 154.A O no hydrogen 2.466 N/A ARG 158.A N ILE 154.A O no hydrogen 3.269 N/A LEU 159.A N HIS 155.A O no hydrogen 3.097 N/A ASP 160.A N GLN 156.A O no hydrogen 2.786 N/A SER 161.A N ARG 158.A O no hydrogen 3.251 N/A SER 161.A OG HIS 35.A ND1 no hydrogen 2.848 N/A SER 161.A OG HIS 35.A O no hydrogen 3.303 N/A SER 161.A OG SER 157.A O no hydrogen 2.978 N/A TRP 162.A N ARG 158.A O no hydrogen 2.939 N/A HIS 165.A N SER 161.A O no hydrogen 3.376 N/A TYR 166.A N TRP 162.A O no hydrogen 2.756 N/A TYR 166.A OH MET 34.A O no hydrogen 2.739 N/A ILE 169.A N TYR 166.A O no hydrogen 3.058 N/A LYS 170.A N ALA 104.A O no hydrogen 3.160 N/A GLY 173.A N LYS 170.A O no hydrogen 2.985 N/A TYR 174.A N GLU 171.A O no hydrogen 3.082 N/A PHE 175.A N GLU 172.A O no hydrogen 3.314 N/A TYR 176.A OH HIS 85.A NE2 no hydrogen 3.362 N/A ARG 178.A N TYR 174.A O no hydrogen 3.117 N/A SER 179.A N PHE 175.A O no hydrogen 2.861 N/A SER 179.A OG TYR 176.A O no hydrogen 2.792 N/A ARG 180.A N TYR 176.A O no hydrogen 3.140 N/A ARG 180.A NH1 GLN 183.A OE1 no hydrogen 2.756 N/A ARG 180.A NH2 ASP 187.A OD2 no hydrogen 3.186 N/A LEU 181.A N ARG 178.A O no hydrogen 3.124 N/A SER 182.A OG SER 179.A O no hydrogen 3.321 N/A GLN 183.A N SER 179.A O no hydrogen 3.395 N/A ALA 184.A N ARG 180.A O no hydrogen 2.816 N/A ARG 186.A N SER 182.A O no hydrogen 2.836 N/A ARG 186.A NH2 ASP 84.A OD1 no hydrogen 2.907 N/A ASP 187.A N GLN 183.A O no hydrogen 2.889 N/A VAL 188.A N ALA 184.A O no hydrogen 3.101 N/A VAL 188.A N ASN 185.A O no hydrogen 3.159 N/A GLU 189.A N ASN 185.A O no hydrogen 3.227 N/A GLU 189.A N ARG 186.A O no hydrogen 3.110 N/A GLY 191.A N ASP 187.A O no hydrogen 3.094 N/A LEU 192.A N VAL 188.A O no hydrogen 2.768 N/A ALA 193.A N GLU 189.A O no hydrogen 3.212 N/A LEU 194.A N HIS 190.A O no hydrogen 2.915 N/A ALA 195.A N GLY 191.A O no hydrogen 2.888 N/A LYS 196.A N LEU 192.A O no hydrogen 2.919 N/A LYS 196.A NZ GLU 14.A OE2 no hydrogen 2.726 N/A ALA 197.A N ALA 193.A O no hydrogen 3.100 N/A TYR 198.A N LEU 194.A O no hydrogen 2.987 N/A CYS 199.A N ALA 195.A O no hydrogen 2.822 N/A ASP 200.A N TYR 198.A O no hydrogen 3.036 N/A LYS 204.A N SER 201.A OG no hydrogen 3.369 N/A GLN 205.A N SER 201.A O no hydrogen 3.078 N/A GLN 205.A NE2 LEU 8.A O no hydrogen 2.946 N/A GLN 205.A NE2 CYS 199.A O no hydrogen 2.994 N/A ASN 206.A N ALA 202.A O no hydrogen 3.003 N/A ASN 206.A ND2 ILE 4.A O no hydrogen 2.961 N/A ARG 207.A N GLU 203.A O no hydrogen 3.011 N/A ARG 207.A NE GLU 140.A OE2 no hydrogen 2.495 N/A ARG 207.A NH2 GLU 140.A OE1 no hydrogen 2.939 N/A MET 208.A N LYS 204.A O no hydrogen 2.848 N/A LEU 209.A N GLN 205.A O no hydrogen 3.078 N/A GLU 210.A N ASN 206.A O no hydrogen 3.110 N/A ILE 211.A N ARG 207.A O no hydrogen 2.939 N/A LEU 212.A N MET 208.A O no hydrogen 2.795 N/A GLN 213.A N LEU 209.A O no hydrogen 2.967 N/A GLN 213.A NE2 ASP 217.A OD1 no hydrogen 2.928 N/A PHE 214.A N GLU 210.A O no hydrogen 2.973 N/A LYS 215.A N ILE 211.A O no hydrogen 2.963 N/A LYS 215.A NZ TYR 129.A OH no hydrogen 3.358 N/A LYS 215.A NZ SER 144.A O no hydrogen 2.964 N/A LYS 215.A NZ THR 147.A OG1 no hydrogen 2.677 N/A LEU 216.A N LEU 212.A O no hydrogen 2.961 N/A ASP 217.A N GLN 213.A O no hydrogen 2.770 N/A ILE 218.A N PHE 214.A O no hydrogen 3.032 N/A LEU 219.A N LYS 215.A O no hydrogen 3.279 N/A TRP 220.A N LEU 216.A O no hydrogen 3.147 N/A SER 221.A N ASP 217.A O no hydrogen 2.892 N/A SER 221.A OG ASP 217.A O no hydrogen 2.545 N/A MET 222.A N ILE 218.A O no hydrogen 2.989 N/A ASP 224.A N TRP 220.A O no hydrogen 2.987 N/A ALA 225.A N SER 221.A O no hydrogen 3.123 N/A MET 226.A N MET 222.A O no hydrogen 3.222 N/A THR 227.A N LEU 223.A O no hydrogen 2.837 N/A THR 227.A OG1 LEU 223.A O no hydrogen 3.023 N/A MET 228.A N ASP 224.A O no hydrogen 3.023 N/A ALA 229.A N ALA 225.A O no hydrogen 3.192 N/A TYR 230.A N MET 226.A O no hydrogen 2.834 N/A ALA 231.A N THR 227.A O no hydrogen 2.925 N/A LEU 232.A N THR 227.A O no hydrogen 3.011 N/A ARG 234.A N MET 228.A O no hydrogen 2.754 N/A HIS 238.A N PRO 235.A O no hydrogen 3.361 N/A VAL 240.A N TYR 237.A O no hydrogen 3.033 N/A THR 241.A N TYR 237.A O no hydrogen 3.090 N/A TRP 246.A NE1 ARG 116.A O no hydrogen 2.800 N/A ARG 250.A N GLU 254.A OE2 no hydrogen 3.174 N/A ARG 250.A NH2 GLU 115.A OE2 no hydrogen 3.552 N/A LEU 253.A N ARG 250.A O no hydrogen 3.127 N/A GLU 254.A N ARG 250.A O no hydrogen 3.138 N/A