Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cy3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N PRO 1.A O no hydrogen 3.287 N/A GLN 5.A N LEU 2.A O no hydrogen 3.456 N/A GLN 7.A N ILE 24.A O no hydrogen 2.765 N/A GLY 9.A N SER 22.A O no hydrogen 2.676 N/A LEU 12.A N VAL 20.A O no hydrogen 2.735 N/A GLY 13.A N VAL 20.A O no hydrogen 3.236 N/A GLY 15.A N GLY 18.A O no hydrogen 2.810 N/A GLY 18.A N GLY 15.A O no hydrogen 3.068 N/A SER 19.A N HIS 36.A O no hydrogen 3.205 N/A VAL 20.A N GLY 13.A O no hydrogen 2.736 N/A TYR 21.A N ILE 34.A O no hydrogen 2.865 N/A SER 22.A N PRO 10.A O no hydrogen 2.768 N/A GLY 23.A N VAL 32.A O no hydrogen 2.886 N/A ILE 24.A N GLN 7.A O no hydrogen 2.889 N/A ARG 25.A N LEU 30.A O no hydrogen 2.849 N/A ARG 25.A NE ASP 28.A OD1 no hydrogen 3.025 N/A ARG 25.A NH1 ASP 28.A OD2 no hydrogen 3.072 N/A VAL 26.A N GLN 5.A O no hydrogen 2.816 N/A SER 27.A OG ASP 28.A OD1 no hydrogen 3.203 N/A LEU 30.A N ASP 28.A OD1 no hydrogen 3.487 N/A VAL 32.A N GLY 23.A O no hydrogen 2.990 N/A ALA 33.A N LEU 86.A O no hydrogen 2.759 N/A ILE 34.A N TYR 21.A O no hydrogen 2.798 N/A LYS 35.A N LEU 84.A O no hydrogen 2.820 N/A LYS 35.A NZ GLU 55.A OE1 no hydrogen 3.220 N/A LYS 35.A NZ GLU 55.A OE2 no hydrogen 2.560 N/A HIS 36.A N SER 19.A O no hydrogen 2.910 N/A VAL 37.A N PHE 82.A O no hydrogen 2.984 N/A LYS 39.A N ASP 80.A O no hydrogen 2.889 N/A LYS 39.A NZ GLU 77.A OE2 no hydrogen 2.622 N/A LYS 39.A NZ ARG 78.A O no hydrogen 2.585 N/A LYS 39.A NZ PRO 79.A O no hydrogen 3.019 N/A ARG 41.A N GLU 38.A O no hydrogen 2.989 N/A ARG 41.A NH2 GLY 16.A O no hydrogen 3.026 N/A ILE 42.A N LYS 39.A O no hydrogen 2.992 N/A SER 43.A OG ASP 44.A OD1 no hydrogen 3.145 N/A GLY 46.A N VAL 52.A O no hydrogen 2.755 N/A LEU 48.A N THR 50.A O no hydrogen 2.966 N/A VAL 52.A N GLY 46.A O no hydrogen 2.987 N/A MET 54.A N ASP 44.A O no hydrogen 2.826 N/A VAL 56.A N PRO 53.A O no hydrogen 2.992 N/A VAL 57.A N PRO 53.A O no hydrogen 3.482 N/A LEU 58.A N MET 54.A O no hydrogen 2.860 N/A LEU 59.A N GLU 55.A O no hydrogen 2.984 N/A LYS 60.A N VAL 56.A O no hydrogen 3.022 N/A LYS 61.A N VAL 57.A O no hydrogen 3.128 N/A LYS 61.A NZ CYS 127.A O no hydrogen 2.838 N/A VAL 62.A N LEU 58.A O no hydrogen 3.193 N/A VAL 62.A N LEU 59.A O no hydrogen 3.223 N/A SER 63.A N LYS 60.A O no hydrogen 3.484 N/A SER 63.A OG LYS 60.A O no hydrogen 3.039 N/A VAL 69.A N SER 67.A OG no hydrogen 3.320 N/A ILE 70.A N LEU 150.A O no hydrogen 3.050 N/A ARG 71.A N GLU 87.A OE2 no hydrogen 2.937 N/A ARG 71.A NH1 GLY 65.A O no hydrogen 2.842 N/A ARG 71.A NH2 GLY 65.A O no hydrogen 2.948 N/A LEU 73.A N ILE 85.A O no hydrogen 2.692 N/A ASP 74.A N ILE 85.A O no hydrogen 3.290 N/A PHE 76.A N VAL 83.A O no hydrogen 2.784 N/A ARG 78.A N SER 81.A O no hydrogen 2.724 N/A PHE 82.A N VAL 37.A O no hydrogen 2.886 N/A VAL 83.A N PHE 76.A O no hydrogen 2.858 N/A LEU 84.A N LYS 35.A O no hydrogen 2.756 N/A ILE 85.A N ASP 74.A O no hydrogen 2.862 N/A LEU 86.A N ALA 33.A O no hydrogen 2.861 N/A GLU 87.A N ARG 71.A O no hydrogen 3.027 N/A ARG 88.A NE VAL 32.A O no hydrogen 2.836 N/A ARG 88.A NH1 GLY 23.A O no hydrogen 2.967 N/A GLN 93.A N ILE 141.A O no hydrogen 3.152 N/A GLN 93.A NE2 GLU 101.A OE1 no hydrogen 3.208 N/A LEU 95.A N ILE 139.A O no hydrogen 2.832 N/A PHE 96.A N ASP 136.A O no hydrogen 3.267 N/A ASP 97.A N ASP 94.A OD1 no hydrogen 2.798 N/A PHE 98.A N ASP 94.A O no hydrogen 3.036 N/A ILE 99.A N LEU 95.A O no hydrogen 2.976 N/A THR 100.A N PHE 96.A O no hydrogen 2.979 N/A THR 100.A OG1 PHE 96.A O no hydrogen 2.946 N/A GLU 101.A N ASP 97.A O no hydrogen 3.047 N/A ARG 102.A N PHE 98.A O no hydrogen 2.951 N/A ARG 102.A NH1 HIS 268.A O no hydrogen 2.818 N/A ARG 102.A NH2 HIS 268.A O no hydrogen 2.870 N/A GLY 103.A N ILE 99.A O no hydrogen 2.805 N/A LEU 105.A N MET 201.A O no hydrogen 2.812 N/A ALA 110.A N GLN 106.A O no hydrogen 2.916 N/A ARG 111.A N GLU 107.A O no hydrogen 2.657 N/A ARG 111.A NE TRP 254.A O no hydrogen 2.638 N/A ARG 111.A NH2 TRP 254.A O no hydrogen 3.071 N/A SER 112.A N GLU 108.A O no hydrogen 3.169 N/A SER 112.A OG THR 264.A OG1 no hydrogen 2.573 N/A PHE 113.A N LEU 109.A O no hydrogen 3.019 N/A PHE 114.A N ALA 110.A O no hydrogen 2.861 N/A TRP 115.A N ARG 111.A O no hydrogen 2.914 N/A GLN 116.A N SER 112.A O no hydrogen 3.073 N/A GLN 116.A NE2 GLY 146.A O no hydrogen 2.914 N/A VAL 117.A N PHE 113.A O no hydrogen 2.952 N/A LEU 118.A N PHE 114.A O no hydrogen 2.875 N/A GLU 119.A N TRP 115.A O no hydrogen 3.013 N/A ALA 120.A N GLN 116.A O no hydrogen 3.140 N/A VAL 121.A N VAL 117.A O no hydrogen 2.891 N/A ARG 122.A N LEU 118.A O no hydrogen 2.895 N/A ARG 122.A NH1 GLN 250.A OE1 no hydrogen 3.023 N/A HIS 123.A N GLU 119.A O no hydrogen 3.051 N/A HIS 123.A NE2 VAL 62.A O no hydrogen 2.871 N/A CYS 124.A N ALA 120.A O no hydrogen 3.035 N/A CYS 124.A SG ALA 120.A O no hydrogen 3.355 N/A HIS 125.A N VAL 121.A O no hydrogen 2.996 N/A ASN 126.A N ARG 122.A O no hydrogen 2.814 N/A CYS 127.A N HIS 123.A O no hydrogen 3.033 N/A CYS 127.A N CYS 124.A O no hydrogen 3.023 N/A CYS 127.A SG LYS 61.A O no hydrogen 3.381 N/A CYS 127.A SG HIS 123.A O no hydrogen 3.317 N/A GLY 128.A N HIS 125.A O no hydrogen 2.974 N/A VAL 129.A N CYS 124.A O no hydrogen 2.909 N/A LEU 130.A N ALA 157.A O no hydrogen 2.817 N/A HIS 131.A NE2 ILE 151.A O no hydrogen 2.716 N/A ARG 132.A NE SER 155.A O no hydrogen 2.829 N/A ARG 132.A NH1 SER 155.A O no hydrogen 3.151 N/A ARG 132.A NH1 GLY 156.A O no hydrogen 3.365 N/A ARG 132.A NH1 ASP 166.A OD2 no hydrogen 3.393 N/A ARG 132.A NH2 ASP 166.A OD2 no hydrogen 3.137 N/A ARG 132.A NH2 TYR 184.A OH no hydrogen 2.957 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.047 N/A LYS 135.A NZ GLU 137.A OE2 no hydrogen 3.258 N/A LYS 135.A NZ THR 170.A OG1 no hydrogen 2.668 N/A ASN 138.A N LYS 135.A O no hydrogen 2.925 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.799 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 2.994 N/A ILE 139.A N ASP 136.A O no hydrogen 3.252 N/A LEU 140.A N LYS 149.A O no hydrogen 2.780 N/A ILE 141.A N GLN 93.A O no hydrogen 2.818 N/A ASP 142.A N GLU 147.A O no hydrogen 2.776 N/A LEU 143.A N PRO 91.A O no hydrogen 3.051 N/A ASN 144.A N ASP 142.A OD1 no hydrogen 3.068 N/A ARG 145.A N ASP 142.A OD1 no hydrogen 2.961 N/A GLY 146.A N ASP 142.A O no hydrogen 2.857 N/A LEU 148.A N GLN 116.A OE1 no hydrogen 2.903 N/A LYS 149.A N LEU 140.A O no hydrogen 2.826 N/A LYS 149.A NZ SER 67.A O no hydrogen 2.724 N/A LYS 149.A NZ VAL 69.A O no hydrogen 3.238 N/A LYS 149.A NZ GLU 87.A OE2 no hydrogen 3.114 N/A LEU 150.A N GLY 68.A O no hydrogen 2.890 N/A ILE 151.A N ASN 138.A O no hydrogen 2.831 N/A GLY 154.A N ASP 152.A OD1 no hydrogen 3.159 N/A SER 155.A OG ASP 168.A O no hydrogen 3.322 N/A GLY 156.A N PHE 153.A O no hydrogen 3.078 N/A ALA 157.A N LEU 130.A O no hydrogen 2.914 N/A LEU 159.A N GLY 128.A O no hydrogen 2.912 N/A LYS 160.A N TYR 164.A OH no hydrogen 3.193 N/A LYS 160.A NZ VAL 163.A O no hydrogen 3.181 N/A TYR 164.A N TYR 184.A O no hydrogen 2.791 N/A TYR 164.A OH LEU 158.A O no hydrogen 2.678 N/A THR 170.A N ASP 133.A OD1 no hydrogen 3.127 N/A THR 170.A OG1 ASP 133.A OD1 no hydrogen 2.652 N/A ARG 171.A NE ASP 211.A OD1 no hydrogen 3.033 N/A ARG 171.A NH2 ASP 211.A OD1 no hydrogen 3.449 N/A ARG 171.A NH2 ASP 211.A OD2 no hydrogen 2.941 N/A TYR 173.A N THR 170.A O no hydrogen 3.087 N/A TYR 173.A OH ASP 136.A OD1 no hydrogen 3.334 N/A SER 174.A N ARG 171.A O no hydrogen 2.982 N/A SER 174.A OG ARG 171.A O no hydrogen 2.714 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.723 N/A TRP 178.A N PRO 175.A O no hydrogen 2.996 N/A ILE 179.A N PRO 175.A O no hydrogen 3.262 N/A ARG 180.A N PRO 176.A O no hydrogen 2.763 N/A TYR 181.A N GLU 177.A O no hydrogen 2.872 N/A HIS 182.A N TRP 178.A O no hydrogen 2.752 N/A TYR 184.A N TYR 164.A O no hydrogen 3.108 N/A TYR 184.A OH ASP 166.A O no hydrogen 2.474 N/A SER 188.A OG HIS 185.A O no hydrogen 3.350 N/A ALA 189.A N HIS 185.A O no hydrogen 3.153 N/A ALA 190.A N GLY 186.A O no hydrogen 2.961 N/A VAL 191.A N ARG 187.A O no hydrogen 3.010 N/A TRP 192.A N SER 188.A O no hydrogen 3.190 N/A SER 193.A N ALA 189.A O no hydrogen 3.133 N/A SER 193.A OG ALA 190.A O no hydrogen 2.799 N/A LEU 194.A N ALA 190.A O no hydrogen 2.977 N/A GLY 195.A N VAL 191.A O no hydrogen 2.973 N/A ILE 196.A N TRP 192.A O no hydrogen 3.159 N/A LEU 197.A N SER 193.A O no hydrogen 2.961 N/A LEU 198.A N LEU 194.A O no hydrogen 2.923 N/A TYR 199.A N GLY 195.A O no hydrogen 3.045 N/A TYR 199.A OH PHE 220.A O no hydrogen 2.392 N/A ASP 200.A N ILE 196.A O no hydrogen 2.910 N/A MET 201.A N LEU 197.A O no hydrogen 2.968 N/A VAL 202.A N LEU 198.A O no hydrogen 2.982 N/A CYS 203.A N TYR 199.A O no hydrogen 2.868 N/A GLY 204.A N ASP 200.A O no hydrogen 2.818 N/A ILE 206.A N ASP 205.A OD1 no hydrogen 2.933 N/A GLU 209.A N GLU 213.A OE1 no hydrogen 2.868 N/A HIS 210.A N GLU 213.A OE1 no hydrogen 2.839 N/A ILE 214.A N HIS 210.A O no hydrogen 3.117 N/A ILE 215.A N ASP 211.A O no hydrogen 3.010 N/A GLY 216.A N GLU 213.A O no hydrogen 3.162 N/A ARG 222.A NE TYR 199.A OH no hydrogen 3.148 N/A SER 226.A N GLU 107.A OE2 no hydrogen 2.987 N/A SER 226.A OG GLU 107.A OE1 no hydrogen 2.642 N/A SER 226.A OG GLU 107.A OE2 no hydrogen 3.530 N/A CYS 228.A N SER 226.A OG no hydrogen 3.291 N/A GLN 229.A N SER 226.A O no hydrogen 2.869 N/A GLN 229.A NE2 VAL 225.A O no hydrogen 3.471 N/A HIS 230.A ND1 HIS 252.A NE2 no hydrogen 2.786 N/A LEU 231.A N GLU 227.A O no hydrogen 3.127 N/A ILE 232.A N CYS 228.A O no hydrogen 3.020 N/A ARG 233.A N GLN 229.A O no hydrogen 2.996 N/A ARG 233.A NH1 GLN 229.A OE1 no hydrogen 3.158 N/A ARG 233.A NH2 VAL 219.A O no hydrogen 2.985 N/A TRP 234.A N HIS 230.A O no hydrogen 2.978 N/A CYS 235.A N LEU 231.A O no hydrogen 2.918 N/A CYS 235.A SG LEU 231.A O no hydrogen 3.442 N/A LEU 236.A N ILE 232.A O no hydrogen 2.969 N/A ALA 237.A N TRP 234.A O no hydrogen 3.299 N/A ASP 242.A N ARG 239.A O no hydrogen 2.888 N/A ARG 243.A N PRO 240.A O no hydrogen 2.992 N/A ARG 243.A NE ALA 237.A O no hydrogen 2.741 N/A ARG 243.A NH1 GLU 177.A OE2 no hydrogen 2.908 N/A ARG 243.A NH1 SER 188.A O no hydrogen 3.042 N/A ARG 243.A NH2 GLU 177.A OE1 no hydrogen 2.842 N/A ARG 243.A NH2 GLU 177.A OE2 no hydrogen 3.509 N/A ARG 243.A NH2 ALA 237.A O no hydrogen 3.219 N/A ARG 243.A NH2 LEU 238.A O no hydrogen 3.306 N/A THR 245.A N GLU 248.A OE1 no hydrogen 3.055 N/A THR 245.A OG1 GLU 248.A OE1 no hydrogen 3.352 N/A GLU 248.A N THR 245.A OG1 no hydrogen 3.170 N/A ILE 249.A N THR 245.A O no hydrogen 3.045 N/A GLN 250.A N PHE 246.A O no hydrogen 3.047 N/A GLN 250.A NE2 GLU 119.A OE2 no hydrogen 2.898 N/A ASN 251.A N GLU 247.A O no hydrogen 2.861 N/A HIS 252.A N ILE 249.A O no hydrogen 3.008 N/A HIS 252.A NE2 HIS 230.A ND1 no hydrogen 2.786 N/A TRP 254.A N HIS 252.A ND1 no hydrogen 3.075 N/A TRP 254.A NE1 GLU 107.A OE1 no hydrogen 2.851 N/A MET 255.A N HIS 252.A O no hydrogen 2.924 N/A GLN 256.A N PRO 253.A O no hydrogen 3.360 N/A GLN 256.A NE2 GLN 250.A O no hydrogen 2.973 N/A GLN 256.A NE2 HIS 252.A O no hydrogen 2.619 N/A LEU 260.A N GLU 263.A OE1 no hydrogen 2.880 N/A GLN 262.A NE2 GLU 266.A OE2 no hydrogen 3.042 N/A THR 264.A N LEU 260.A O no hydrogen 2.979 N/A THR 264.A OG1 SER 112.A OG no hydrogen 2.573 N/A THR 264.A OG1 LEU 260.A O no hydrogen 2.842 N/A ALA 265.A N PRO 261.A O no hydrogen 2.900 N/A GLU 266.A N GLN 262.A O no hydrogen 2.932 N/A ILE 267.A N GLU 263.A O no hydrogen 2.847 N/A HIS 268.A N THR 264.A O no hydrogen 2.861 N/A HIS 268.A NE2 GLU 108.A OE1 no hydrogen 2.674 N/A LEU 269.A N ALA 265.A O no hydrogen 2.988 N/A HIS 270.A N ALA 265.A O no hydrogen 2.723 N/A HIS 270.A NE2 ASN 144.A O no hydrogen 2.775 N/A