Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1re3_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A NE2 ILE 2.A O no hydrogen 2.746 N/A GLU 7.A N TYR 4.A O no hydrogen 3.395 N/A ILE 8.A N TYR 4.A O no hydrogen 3.450 N/A ASN 10.A N GLN 6.A O no hydrogen 3.399 N/A ASN 10.A ND2 GLN 6.A O no hydrogen 2.583 N/A SER 11.A N GLU 7.A O no hydrogen 2.751 N/A SER 11.A OG GLU 7.A O no hydrogen 2.782 N/A ASN 13.A N TYR 9.A O no hydrogen 2.932 N/A GLN 14.A N ASN 10.A O no hydrogen 3.182 N/A LYS 15.A N SER 11.A O no hydrogen 3.201 N/A ILE 16.A N ASN 12.A O no hydrogen 3.040 N/A ASN 18.A N GLN 14.A O no hydrogen 3.050 N/A ASN 18.A ND2 GLN 14.A O no hydrogen 3.112 N/A LEU 19.A N LYS 15.A O no hydrogen 2.710 N/A LYS 20.A N ILE 16.A O no hydrogen 2.841 N/A GLU 21.A N ASN 18.A O no hydrogen 3.220 N/A LYS 22.A N ASN 18.A O no hydrogen 3.323 N/A VAL 23.A N LEU 19.A O no hydrogen 2.826 N/A ALA 24.A N LYS 20.A O no hydrogen 2.946 N/A GLN 25.A N GLU 21.A O no hydrogen 2.997 N/A LEU 26.A N LYS 22.A O no hydrogen 2.997 N/A GLU 27.A N VAL 23.A O no hydrogen 2.933 N/A ALA 28.A N ALA 24.A O no hydrogen 3.307 N/A GLN 29.A N GLN 25.A O no hydrogen 3.318 N/A CYS 30.A N GLU 27.A O no hydrogen 2.992 N/A CYS 30.A SG LEU 26.A O no hydrogen 3.595 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 2.978 N/A HIS 41.A N LEU 61.A O no hydrogen 3.010 N/A THR 44.A OG1 ASP 42.A O no hydrogen 3.185 N/A LYS 46.A N ASP 50.A OD2 no hydrogen 2.935 N/A CYS 48.A N THR 87.A OG1 no hydrogen 3.365 N/A CYS 48.A SG TRP 86.A O no hydrogen 3.431 N/A CYS 48.A SG THR 87.A OG1 no hydrogen 3.175 N/A GLN 49.A NE2 ASN 53.A OD1 no hydrogen 3.120 N/A GLN 49.A NE2 GLY 83.A O no hydrogen 2.822 N/A ASP 50.A N ASP 47.A OD1 no hydrogen 2.693 N/A ILE 51.A N ASP 47.A O no hydrogen 3.026 N/A ALA 52.A N CYS 48.A O no hydrogen 2.744 N/A ASN 53.A N GLN 49.A O no hydrogen 2.873 N/A LYS 54.A N ASP 50.A O no hydrogen 3.254 N/A LYS 54.A N ILE 51.A O no hydrogen 3.195 N/A LYS 54.A NZ THR 44.A O no hydrogen 2.698 N/A GLY 55.A N ALA 52.A O no hydrogen 3.133 N/A ALA 56.A N ILE 51.A O no hydrogen 3.321 N/A SER 59.A OG ILE 79.A O no hydrogen 3.380 N/A GLY 60.A N CYS 77.A O no hydrogen 2.980 N/A TYR 62.A N VAL 75.A O no hydrogen 2.959 N/A TYR 62.A OH GLN 58.A O no hydrogen 2.533 N/A ILE 64.A N PHE 73.A O no hydrogen 2.929 N/A LYS 65.A N GLY 45.A O no hydrogen 2.838 N/A LYS 65.A NZ ALA 69.A O no hydrogen 2.775 N/A ALA 69.A N PRO 66.A O no hydrogen 3.029 N/A GLN 72.A N GLN 71.A OE1 no hydrogen 3.090 N/A PHE 73.A N ILE 64.A O no hydrogen 3.037 N/A VAL 75.A N TYR 62.A O no hydrogen 2.824 N/A CYS 77.A N GLY 60.A O no hydrogen 2.774 N/A GLU 78.A N TRP 86.A O no hydrogen 2.836 N/A ILE 79.A N SER 59.A OG no hydrogen 3.027 N/A ASP 80.A N ASN 84.A O no hydrogen 3.182 N/A SER 82.A N ASP 80.A OD1 no hydrogen 2.716 N/A GLY 83.A N ASP 80.A O no hydrogen 3.346 N/A ASN 84.A N ASP 80.A OD1 no hydrogen 3.031 N/A ASN 84.A ND2 ASP 80.A OD1 no hydrogen 3.325 N/A ASN 84.A ND2 ASP 80.A OD2 no hydrogen 2.913 N/A GLY 85.A N GLN 49.A OE1 no hydrogen 2.687 N/A TRP 86.A N GLU 78.A O no hydrogen 2.722 N/A THR 87.A N ILE 281.A O no hydrogen 2.945 N/A VAL 88.A N TYR 76.A O no hydrogen 3.341 N/A PHE 89.A N MET 279.A O no hydrogen 2.917 N/A GLN 90.A N MET 279.A O no hydrogen 3.341 N/A GLN 90.A NE2 LEU 239.A O no hydrogen 3.003 N/A GLN 90.A NE2 ASN 240.A OD1 no hydrogen 2.869 N/A LYS 91.A N PHE 121.A O no hydrogen 3.203 N/A LYS 91.A NZ THR 278.A OG1 no hydrogen 2.701 N/A ARG 92.A N THR 277.A O no hydrogen 2.913 N/A ARG 92.A NH1 LEU 239.A O no hydrogen 3.091 N/A ARG 92.A NH1 GLY 241.A O no hydrogen 2.798 N/A ARG 92.A NH2 GLY 241.A O no hydrogen 2.915 N/A LEU 93.A N GLU 120.A OE2 no hydrogen 2.952 N/A ASP 94.A N GLU 120.A OE2 no hydrogen 3.103 N/A GLY 95.A N GLU 120.A OE2 no hydrogen 2.663 N/A SER 96.A N ASP 94.A OD1 no hydrogen 2.732 N/A SER 96.A OG ASP 94.A OD1 no hydrogen 2.569 N/A SER 96.A OG ASP 94.A OD2 no hydrogen 3.471 N/A SER 96.A OG GLU 120.A OE1 no hydrogen 3.378 N/A VAL 97.A N GLU 120.A OE1 no hydrogen 2.664 N/A LYS 100.A N ASP 98.A OD1 no hydrogen 2.572 N/A ASN 102.A N GLN 105.A OE1 no hydrogen 2.815 N/A TRP 103.A N ASP 211.A OD1 no hydrogen 2.970 N/A TRP 103.A NE1 GLU 165.A OE2 no hydrogen 2.746 N/A GLN 105.A N ASN 102.A OD1 no hydrogen 2.789 N/A TYR 106.A N ASN 102.A O no hydrogen 3.009 N/A TYR 106.A OH PHE 99.A O no hydrogen 2.802 N/A LYS 107.A N TRP 103.A O no hydrogen 2.798 N/A LYS 107.A NZ GLU 165.A OE1 no hydrogen 2.844 N/A GLU 108.A N ILE 104.A O no hydrogen 2.825 N/A GLY 109.A N GLN 105.A O no hydrogen 2.730 N/A PHE 110.A N TRP 122.A O no hydrogen 2.890 N/A HIS 112.A N GLU 120.A O no hydrogen 3.150 N/A SER 114.A OG THR 119.A OG1 no hydrogen 2.775 N/A THR 116.A OG1 THR 118.A OG1 no hydrogen 2.752 N/A GLY 117.A N SER 114.A O no hydrogen 2.910 N/A THR 118.A N SER 114.A OG no hydrogen 2.833 N/A THR 118.A OG1 THR 116.A OG1 no hydrogen 2.752 N/A THR 119.A OG1 HIS 112.A O no hydrogen 2.819 N/A THR 119.A OG1 SER 114.A OG no hydrogen 2.775 N/A PHE 121.A N LYS 91.A O no hydrogen 3.209 N/A TRP 122.A N PHE 110.A O no hydrogen 2.913 N/A TRP 122.A NE1 TYR 106.A O no hydrogen 2.969 N/A LEU 123.A N PHE 89.A O no hydrogen 3.012 N/A ASN 125.A N TYR 106.A O no hydrogen 2.920 N/A GLU 126.A N LYS 107.A O no hydrogen 3.193 N/A LYS 127.A NZ GLU 108.A O no hydrogen 3.086 N/A ILE 128.A N GLY 124.A O no hydrogen 2.837 N/A HIS 129.A N ASN 125.A O no hydrogen 2.881 N/A HIS 129.A ND1 VAL 162.A O no hydrogen 2.726 N/A LEU 130.A N GLU 126.A O no hydrogen 2.850 N/A ILE 131.A N LYS 127.A O no hydrogen 2.915 N/A SER 132.A N ILE 128.A O no hydrogen 3.180 N/A SER 132.A OG ILE 128.A O no hydrogen 2.808 N/A SER 132.A OG HIS 129.A O no hydrogen 3.566 N/A THR 133.A OG1 HIS 129.A O no hydrogen 2.663 N/A GLN 134.A N ILE 131.A O no hydrogen 3.528 N/A ILE 137.A N SER 135.A OG no hydrogen 3.273 N/A TYR 139.A OH ASP 47.A OD2 no hydrogen 2.379 N/A TYR 139.A OH GLN 134.A OE1 no hydrogen 2.958 N/A ALA 140.A N ILE 282.A O no hydrogen 2.883 N/A LEU 141.A N TYR 157.A O no hydrogen 2.908 N/A ARG 142.A N LYS 280.A O no hydrogen 2.789 N/A ARG 142.A NE ASP 156.A OD1 no hydrogen 2.926 N/A ARG 142.A NE ASP 156.A OD2 no hydrogen 3.417 N/A ARG 142.A NH2 ASP 156.A OD2 no hydrogen 2.701 N/A VAL 143.A N ALA 155.A O no hydrogen 2.771 N/A GLU 144.A N THR 278.A O no hydrogen 2.854 N/A LEU 145.A N SER 153.A O no hydrogen 2.995 N/A GLU 146.A N LYS 276.A O no hydrogen 3.068 N/A ASP 147.A N ARG 151.A O no hydrogen 2.913 N/A TRP 148.A N TYR 272.A OH no hydrogen 2.906 N/A TRP 148.A NE1 SER 273.A O no hydrogen 2.762 N/A ASN 149.A N ASP 147.A OD1 no hydrogen 2.536 N/A ASN 149.A ND2 TRP 148.A O no hydrogen 3.143 N/A GLY 150.A N ASP 147.A O no hydrogen 3.372 N/A ARG 151.A N ASP 147.A OD1 no hydrogen 3.162 N/A SER 153.A N LEU 145.A O no hydrogen 2.991 N/A THR 154.A N ASP 180.A OD1 no hydrogen 3.083 N/A ALA 155.A N VAL 143.A O no hydrogen 2.939 N/A ASP 156.A N GLY 178.A O no hydrogen 2.892 N/A TYR 157.A N LEU 141.A O no hydrogen 2.946 N/A TYR 157.A OH ASP 183.A OD1 no hydrogen 2.763 N/A ALA 158.A N TYR 175.A O no hydrogen 2.974 N/A PHE 160.A N TYR 139.A O no hydrogen 2.841 N/A LYS 161.A N THR 172.A O no hydrogen 2.761 N/A VAL 162.A N SER 132.A OG no hydrogen 3.255 N/A GLY 163.A N ARG 170.A O no hydrogen 2.860 N/A ASP 167.A N PRO 164.A O no hydrogen 2.916 N/A LYS 168.A N GLU 165.A O no hydrogen 2.967 N/A TYR 169.A N PRO 164.A O no hydrogen 2.952 N/A TYR 169.A OH GLU 126.A OE1 no hydrogen 2.642 N/A ARG 170.A N ASP 167.A O no hydrogen 3.206 N/A ARG 170.A NE ASP 167.A OD2 no hydrogen 2.668 N/A ARG 170.A NH1 GLY 204.A O no hydrogen 2.759 N/A ARG 170.A NH2 ASP 167.A OD1 no hydrogen 2.802 N/A ARG 170.A NH2 ASP 167.A OD2 no hydrogen 3.518 N/A LEU 171.A N MET 205.A O no hydrogen 2.809 N/A THR 172.A N LYS 161.A O no hydrogen 2.865 N/A THR 172.A OG1 LYS 161.A O no hydrogen 3.127 N/A TYR 173.A N ASN 203.A OD1 no hydrogen 3.150 N/A ALA 174.A N ALA 158.A O no hydrogen 2.988 N/A ALA 177.A N ASP 156.A O no hydrogen 2.585 N/A ALA 181.A N THR 154.A O no hydrogen 2.989 N/A GLY 182.A N GLY 179.A O no hydrogen 3.231 N/A ALA 184.A N GLY 182.A O no hydrogen 2.976 N/A PHE 185.A N TYR 157.A OH no hydrogen 3.387 N/A ASP 186.A N ASP 183.A O no hydrogen 3.055 N/A GLY 187.A N ALA 184.A O no hydrogen 2.976 N/A PHE 188.A N THR 200.A OG1 no hydrogen 2.880 N/A GLY 191.A N ASP 196.A OD2 no hydrogen 2.782 N/A SER 195.A N ASP 193.A OD1 no hydrogen 2.934 N/A SER 195.A OG ASP 193.A OD1 no hydrogen 2.713 N/A LYS 197.A NZ ASP 186.A O no hydrogen 3.159 N/A PHE 199.A N SER 195.A O no hydrogen 3.183 N/A THR 200.A N LYS 197.A O no hydrogen 3.306 N/A THR 200.A OG1 PHE 188.A O no hydrogen 3.498 N/A THR 200.A OG1 ASP 196.A O no hydrogen 3.275 N/A THR 200.A OG1 LYS 197.A O no hydrogen 3.490 N/A SER 201.A OG PHE 198.A O no hydrogen 2.861 N/A HIS 202.A N PHE 185.A O no hydrogen 2.727 N/A ASN 203.A ND2 TYR 173.A O no hydrogen 2.856 N/A GLY 204.A N LEU 171.A O no hydrogen 2.687 N/A MET 205.A N HIS 202.A O no hydrogen 2.954 N/A GLN 206.A NE2 ASP 167.A O no hydrogen 3.044 N/A GLN 206.A NE2 ASP 167.A OD1 no hydrogen 3.124 N/A PHE 207.A N LYS 168.A O no hydrogen 2.813 N/A SER 208.A N TRP 229.A O no hydrogen 2.848 N/A THR 209.A N ASN 212.A O no hydrogen 3.156 N/A THR 209.A OG1 ASP 211.A OD1 no hydrogen 2.728 N/A ASN 212.A N THR 209.A O no hydrogen 2.775 N/A ASN 212.A ND2 ASN 214.A OD1 no hydrogen 2.725 N/A ASN 214.A N SER 208.A OG no hydrogen 2.816 N/A ASP 215.A N ASP 213.A OD1 no hydrogen 3.080 N/A LYS 216.A N ASN 232.A O no hydrogen 2.986 N/A PHE 217.A N ASP 215.A OD1 no hydrogen 2.668 N/A CYS 221.A N ASP 215.A OD2 no hydrogen 3.212 N/A CYS 221.A SG ASP 215.A OD2 no hydrogen 3.711 N/A CYS 221.A SG ASN 232.A O no hydrogen 3.839 N/A GLN 224.A N ASN 220.A O no hydrogen 2.922 N/A ASP 225.A N CYS 221.A O no hydrogen 2.833 N/A GLY 226.A N GLU 223.A O no hydrogen 3.151 N/A SER 227.A N ALA 222.A O no hydrogen 2.967 N/A SER 227.A OG HIS 238.A NE2 no hydrogen 2.682 N/A TRP 229.A N SER 208.A O no hydrogen 2.926 N/A TRP 230.A NE1 TYR 169.A O no hydrogen 2.902 N/A MET 231.A N TRP 229.A O no hydrogen 2.820 N/A ASN 232.A N CYS 234.A O no hydrogen 2.751 N/A ASN 232.A ND2 PHE 198.A O no hydrogen 3.181 N/A ASN 232.A ND2 SER 201.A O no hydrogen 2.832 N/A LYS 233.A N PHE 199.A O no hydrogen 2.793 N/A HIS 235.A NE2 ASP 225.A OD2 no hydrogen 3.049 N/A HIS 238.A N ILE 263.A O no hydrogen 2.867 N/A HIS 238.A ND1 GLY 261.A O no hydrogen 3.151 N/A HIS 238.A NE2 SER 227.A OG no hydrogen 2.682 N/A ASN 240.A ND2 GLY 228.A O no hydrogen 3.142 N/A VAL 242.A N ASN 260.A O no hydrogen 2.859 N/A TYR 243.A OH LYS 275.A O no hydrogen 2.813 N/A TYR 244.A OH ASN 260.A OD1 no hydrogen 2.624 N/A GLY 247.A N TYR 244.A O no hydrogen 3.210 N/A TYR 249.A N TRP 271.A O no hydrogen 3.107 N/A TYR 249.A OH ARG 270.A O no hydrogen 2.896 N/A SER 250.A N SER 253.A OG no hydrogen 3.017 N/A ALA 252.A N SER 250.A OG no hydrogen 3.180 N/A SER 253.A N SER 250.A O no hydrogen 3.071 N/A SER 253.A OG SER 250.A O no hydrogen 2.594 N/A THR 254.A N LYS 251.A O no hydrogen 3.285 N/A THR 254.A OG1 LYS 251.A O no hydrogen 2.773 N/A ASN 256.A ND2 GLN 224.A O no hydrogen 2.963 N/A GLY 261.A N TYR 249.A OH no hydrogen 2.880 N/A ILE 262.A N SER 273.A OG no hydrogen 2.852 N/A ILE 263.A N HIS 238.A O no hydrogen 3.199 N/A TRP 264.A NE1 GLY 182.A O no hydrogen 2.698 N/A ALA 265.A N ALA 236.A O no hydrogen 2.866 N/A THR 266.A OG1 ALA 181.A O no hydrogen 2.710 N/A TRP 267.A N TRP 264.A O no hydrogen 2.786 N/A LYS 268.A N TRP 264.A O no hydrogen 3.117 N/A LYS 268.A NZ ASP 147.A OD2 no hydrogen 3.329 N/A TRP 271.A N THR 269.A OG1 no hydrogen 3.390 N/A TYR 272.A N THR 269.A O no hydrogen 2.933 N/A SER 273.A N GLY 247.A O no hydrogen 2.702 N/A MET 274.A N ILE 262.A O no hydrogen 2.839 N/A LYS 275.A N GLU 146.A O no hydrogen 2.974 N/A LYS 276.A N GLU 146.A O no hydrogen 3.373 N/A THR 277.A N ARG 92.A O no hydrogen 2.760 N/A THR 278.A N GLU 144.A O no hydrogen 2.926 N/A MET 279.A N GLN 90.A O no hydrogen 3.060 N/A LYS 280.A N ARG 142.A O no hydrogen 3.100 N/A LYS 280.A NZ GLU 78.A OE1 no hydrogen 2.748 N/A LYS 280.A NZ GLU 78.A OE2 no hydrogen 3.051 N/A LYS 280.A NZ GLU 144.A OE2 no hydrogen 2.985 N/A ILE 281.A N THR 87.A O no hydrogen 3.013 N/A ILE 282.A N ALA 140.A O no hydrogen 3.124 N/A PHE 284.A N PRO 138.A O no hydrogen 2.995 N/A ARG 286.A N PRO 283.A O no hydrogen 2.913 N/A ARG 286.A NE ASN 84.A OD1 no hydrogen 3.026 N/A LEU 287.A N PHE 284.A O no hydrogen 2.829 N/A THR 288.A OG1 ASN 285.A O no hydrogen 3.207 N/A