Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rw9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N TRP 6.A O no hydrogen 2.856 N/A TRP 6.A N ARG 3.A O no hydrogen 3.027 N/A PHE 7.A N LEU 21.A O no hydrogen 2.869 N/A GLU 9.A N LEU 19.A O no hydrogen 2.759 N/A TRP 14.A N CYS 11.A O no hydrogen 3.020 N/A GLN 17.A NE2 SER 225.A OG no hydrogen 3.262 N/A LEU 21.A N PHE 7.A O no hydrogen 2.776 N/A VAL 23.A N GLY 5.A O no hydrogen 2.536 N/A GLU 24.A N ARG 41.A O no hydrogen 2.824 N/A GLN 25.A N ARG 41.A O no hydrogen 3.208 N/A LEU 27.A N VAL 39.A O no hydrogen 3.018 N/A HIS 28.A N VAL 39.A O no hydrogen 3.152 N/A ARG 30.A N ILE 37.A O no hydrogen 3.037 N/A SER 32.A N GLN 35.A O no hydrogen 2.956 N/A SER 32.A OG GLN 35.A O no hydrogen 3.272 N/A SER 32.A OG ASP 112.A OD2 no hydrogen 2.372 N/A TYR 34.A N SER 32.A OG no hydrogen 3.130 N/A GLN 35.A N SER 32.A OG no hydrogen 3.158 N/A GLN 35.A NE2 ASP 112.A OD2 no hydrogen 3.413 N/A ASP 36.A N ASP 52.A OD1 no hydrogen 2.959 N/A ILE 37.A N ARG 30.A O no hydrogen 2.855 N/A LEU 38.A N VAL 50.A O no hydrogen 2.912 N/A VAL 39.A N HIS 28.A O no hydrogen 2.968 N/A PHE 40.A N VAL 48.A O no hydrogen 3.142 N/A ARG 41.A N GLN 25.A O no hydrogen 2.851 N/A ARG 41.A NE GLU 24.A OE1 no hydrogen 2.893 N/A ARG 41.A NH1 GLU 24.A OE1 no hydrogen 2.567 N/A ARG 41.A NH1 GLN 25.A OE1 no hydrogen 2.509 N/A SER 42.A N GLY 46.A O no hydrogen 2.927 N/A SER 42.A OG GLY 46.A O no hydrogen 2.876 N/A LYS 43.A N GLN 22.A O no hydrogen 2.934 N/A TYR 45.A N SER 42.A OG no hydrogen 2.807 N/A ASN 47.A N GLU 59.A OE1 no hydrogen 2.743 N/A ASN 47.A ND2 PHE 122.A O no hydrogen 2.853 N/A VAL 48.A N PHE 40.A O no hydrogen 2.807 N/A LEU 49.A N CYS 57.A O no hydrogen 2.877 N/A VAL 50.A N LEU 38.A O no hydrogen 2.769 N/A LEU 51.A N VAL 54.A O no hydrogen 2.893 N/A ASP 52.A N ASP 36.A O no hydrogen 2.910 N/A VAL 54.A N LEU 51.A O no hydrogen 3.082 N/A ILE 55.A N GLU 9.A OE2 no hydrogen 2.811 N/A GLN 56.A N LEU 49.A O no hydrogen 2.901 N/A CYS 57.A N LEU 49.A O no hydrogen 3.356 N/A CYS 57.A SG ASP 90.A OD1 no hydrogen 3.670 N/A THR 58.A OG1 ASP 61.A OD1 no hydrogen 2.977 N/A GLU 59.A N ASN 47.A O no hydrogen 2.994 N/A ARG 60.A N TYR 45.A O no hydrogen 3.121 N/A ARG 60.A NH1 THR 44.A O no hydrogen 2.997 N/A ASP 61.A N THR 58.A OG1 no hydrogen 3.344 N/A GLU 62.A N THR 58.A O no hydrogen 3.201 N/A SER 64.A N ASP 61.A O no hydrogen 3.403 N/A SER 64.A OG ASP 61.A O no hydrogen 2.988 N/A SER 64.A OG THR 219.A O no hydrogen 3.208 N/A TYR 65.A OH ASP 159.A OD1 no hydrogen 2.629 N/A TYR 65.A OH GLN 188.A OE1 no hydrogen 3.311 N/A GLN 66.A N GLU 62.A O no hydrogen 3.020 N/A GLN 66.A NE2 GLU 62.A O no hydrogen 2.688 N/A GLN 66.A NE2 GLU 62.A OE1 no hydrogen 3.275 N/A GLU 67.A N PHE 63.A O no hydrogen 2.995 N/A MET 68.A N SER 64.A O no hydrogen 3.042 N/A ILE 69.A N TYR 65.A O no hydrogen 2.963 N/A ALA 70.A N GLN 66.A O no hydrogen 3.299 N/A ASN 71.A N GLU 67.A O no hydrogen 2.944 N/A ASN 71.A ND2 GLU 67.A O no hydrogen 3.036 N/A LEU 72.A N MET 68.A O no hydrogen 2.892 N/A LEU 74.A N ALA 70.A O no hydrogen 3.275 N/A CYS 75.A N ASN 71.A O no hydrogen 2.944 N/A CYS 75.A SG ASN 71.A OD1 no hydrogen 3.879 N/A SER 76.A N PRO 73.A O no hydrogen 3.049 N/A SER 76.A OG LEU 72.A O no hydrogen 2.643 N/A HIS 77.A N LEU 74.A O no hydrogen 3.334 N/A ASN 79.A N HIS 77.A ND1 no hydrogen 2.911 N/A ARG 81.A N ASP 154.A OD2 no hydrogen 3.024 N/A LYS 82.A N ASP 154.A OD2 no hydrogen 2.907 N/A VAL 83.A N SER 105.A O no hydrogen 3.040 N/A LEU 84.A N VAL 155.A O no hydrogen 2.907 N/A ILE 85.A N VAL 107.A O no hydrogen 2.742 N/A ILE 86.A N ILE 157.A O no hydrogen 2.747 N/A GLY 87.A N CYS 109.A O no hydrogen 2.802 N/A GLY 88.A N ASP 159.A O no hydrogen 3.169 N/A GLY 92.A N ASP 90.A OD2 no hydrogen 2.857 N/A ARG 95.A N GLY 91.A O no hydrogen 2.913 N/A ARG 95.A NE GLU 96.A OE2 no hydrogen 2.815 N/A ARG 95.A NH1 GLU 62.A OE2 no hydrogen 3.150 N/A ARG 95.A NH1 GLY 125.A O no hydrogen 2.931 N/A ARG 95.A NH2 GLU 62.A OE1 no hydrogen 2.903 N/A ARG 95.A NH2 GLU 62.A OE2 no hydrogen 3.425 N/A ARG 95.A NH2 GLU 96.A OE2 no hydrogen 2.943 N/A GLU 96.A N GLY 92.A O no hydrogen 3.163 N/A VAL 97.A N VAL 93.A O no hydrogen 2.863 N/A VAL 98.A N LEU 94.A O no hydrogen 3.022 N/A LYS 99.A NZ GLU 96.A OE1 no hydrogen 2.800 N/A LYS 99.A NZ GLU 96.A OE2 no hydrogen 3.533 N/A LYS 99.A NZ MET 256.A O no hydrogen 2.673 N/A HIS 100.A N VAL 97.A O no hydrogen 3.120 N/A HIS 100.A NE2 ASN 71.A OD1 no hydrogen 2.819 N/A SER 102.A OG PRO 80.A O no hydrogen 2.740 N/A VAL 103.A N HIS 100.A O no hydrogen 3.234 N/A GLU 104.A N ARG 81.A O no hydrogen 2.912 N/A SER 105.A N ARG 81.A O no hydrogen 3.262 N/A VAL 106.A N LYS 134.A O no hydrogen 3.042 N/A VAL 107.A N VAL 83.A O no hydrogen 2.841 N/A GLN 108.A N THR 136.A O no hydrogen 3.008 N/A CYS 109.A N ILE 85.A O no hydrogen 2.903 N/A CYS 109.A SG GLY 140.A O no hydrogen 3.113 N/A GLU 110.A N HIS 138.A O no hydrogen 2.994 N/A ASP 112.A N GLU 110.A OE2 no hydrogen 2.823 N/A ASP 114.A N ASP 112.A OD1 no hydrogen 2.884 N/A GLN 117.A N GLU 113.A O no hydrogen 3.042 N/A VAL 118.A N ASP 114.A O no hydrogen 2.870 N/A SER 119.A N VAL 115.A O no hydrogen 3.059 N/A SER 119.A OG VAL 115.A O no hydrogen 2.990 N/A LYS 120.A N ILE 116.A O no hydrogen 3.201 N/A LYS 121.A N GLN 117.A O no hydrogen 3.378 N/A LYS 121.A N VAL 118.A O no hydrogen 3.249 N/A PHE 122.A N VAL 118.A O no hydrogen 2.753 N/A LEU 123.A N SER 119.A O no hydrogen 2.704 N/A MET 126.A N LEU 123.A O no hydrogen 2.863 N/A ALA 127.A N LEU 123.A O no hydrogen 2.837 N/A GLY 129.A N MET 126.A O no hydrogen 3.271 N/A TYR 130.A N ALA 127.A O no hydrogen 3.025 N/A TYR 130.A OH GLY 89.A O no hydrogen 2.716 N/A SER 131.A N ILE 128.A O no hydrogen 3.112 N/A SER 131.A OG ILE 128.A O no hydrogen 2.659 N/A SER 132.A N GLY 129.A O no hydrogen 3.041 N/A LYS 134.A N SER 132.A OG no hydrogen 3.190 N/A LYS 134.A NZ VAL 98.A O no hydrogen 2.799 N/A LYS 134.A NZ HIS 100.A O no hydrogen 3.146 N/A LYS 134.A NZ VAL 103.A O no hydrogen 3.134 N/A THR 136.A N VAL 106.A O no hydrogen 2.879 N/A HIS 138.A N GLN 108.A O no hydrogen 2.750 N/A GLY 140.A N GLU 110.A O no hydrogen 3.007 N/A PHE 143.A N ASP 141.A OD1 no hydrogen 3.161 N/A PHE 145.A N ASP 141.A O no hydrogen 2.976 N/A MET 146.A N GLY 142.A O no hydrogen 2.950 N/A MET 146.A N PHE 143.A O no hydrogen 3.226 N/A LYS 147.A N GLU 144.A O no hydrogen 3.232 N/A LYS 147.A NZ GLU 144.A OE1 no hydrogen 3.228 N/A LYS 147.A NZ GLU 144.A OE2 no hydrogen 2.616 N/A GLN 148.A N PHE 145.A O no hydrogen 3.004 N/A ASN 149.A N MET 146.A O no hydrogen 3.186 N/A ASP 151.A N THR 177.A O no hydrogen 2.906 N/A ALA 152.A N ALA 178.A O no hydrogen 2.802 N/A PHE 153.A N ALA 178.A O no hydrogen 3.078 N/A ASP 154.A N LYS 82.A O no hydrogen 2.954 N/A VAL 155.A N LYS 82.A O no hydrogen 3.373 N/A ILE 156.A N VAL 184.A O no hydrogen 3.218 N/A ILE 157.A N LEU 84.A O no hydrogen 2.816 N/A THR 158.A N CYS 186.A O no hydrogen 2.934 N/A THR 158.A OG1 TYR 171.A OH no hydrogen 2.848 N/A ASP 159.A N ILE 86.A O no hydrogen 2.773 N/A SER 165.A OG ASP 141.A OD1 no hydrogen 2.695 N/A SER 165.A OG ASP 141.A OD2 no hydrogen 2.940 N/A LEU 166.A N ALA 163.A O no hydrogen 2.929 N/A PHE 167.A N GLU 164.A O no hydrogen 2.824 N/A TYR 171.A N LYS 168.A O no hydrogen 3.081 N/A TYR 171.A OH THR 158.A OG1 no hydrogen 2.848 N/A LEU 174.A N SER 170.A O no hydrogen 2.640 N/A MET 175.A N TYR 171.A O no hydrogen 2.790 N/A LYS 176.A N TYR 172.A O no hydrogen 2.953 N/A LYS 176.A NZ LEU 209.A O no hydrogen 2.773 N/A THR 177.A N GLN 173.A O no hydrogen 3.057 N/A THR 177.A OG1 GLN 173.A O no hydrogen 3.196 N/A ALA 178.A N LEU 174.A O no hydrogen 3.062 N/A LEU 179.A N MET 175.A O no hydrogen 3.081 N/A LYS 180.A N PHE 153.A O no hydrogen 2.722 N/A GLY 183.A N LYS 180.A O no hydrogen 3.017 N/A VAL 184.A N ASP 154.A O no hydrogen 2.950 N/A LEU 185.A N CYS 233.A O no hydrogen 2.900 N/A CYS 186.A N ILE 156.A O no hydrogen 2.960 N/A CYS 186.A SG ILE 69.A O no hydrogen 3.889 N/A CYS 187.A N MET 231.A O no hydrogen 2.994 N/A CYS 187.A SG THR 158.A OG1 no hydrogen 3.582 N/A GLY 189.A N GLY 229.A O no hydrogen 2.651 N/A CYS 191.A SG PRO 224.A O no hydrogen 4.019 N/A CYS 191.A SG GLN 227.A O no hydrogen 3.841 N/A GLN 192.A NE2 GLN 227.A OE1 no hydrogen 3.026 N/A LEU 194.A N CYS 191.A O no hydrogen 2.958 N/A HIS 195.A N CYS 191.A O no hydrogen 2.837 N/A HIS 195.A NE2 LEU 13.A O no hydrogen 2.769 N/A LEU 198.A N HIS 195.A O no hydrogen 3.078 N/A ILE 199.A N HIS 195.A O no hydrogen 3.205 N/A LYS 200.A N LEU 196.A O no hydrogen 3.073 N/A GLU 201.A N ASP 197.A O no hydrogen 3.254 N/A MET 202.A N LEU 198.A O no hydrogen 2.981 N/A ARG 203.A N ILE 199.A O no hydrogen 2.980 N/A GLN 204.A N LYS 200.A O no hydrogen 3.158 N/A PHE 205.A N GLU 201.A O no hydrogen 2.925 N/A CYS 206.A N MET 202.A O no hydrogen 2.889 N/A CYS 206.A SG MET 202.A O no hydrogen 3.378 N/A GLN 207.A N ARG 203.A O no hydrogen 3.048 N/A SER 208.A N PHE 205.A O no hydrogen 3.148 N/A LEU 209.A N CYS 206.A O no hydrogen 2.869 N/A PHE 210.A N CYS 206.A O no hydrogen 2.793 N/A ALA 214.A N LEU 232.A O no hydrogen 2.829 N/A TYR 215.A OH GLU 190.A O no hydrogen 2.792 N/A ALA 216.A N PHE 230.A O no hydrogen 2.956 N/A TYR 217.A N ALA 269.A O no hydrogen 3.132 N/A CYS 218.A N ILE 228.A O no hydrogen 3.032 N/A CYS 218.A SG THR 219.A O no hydrogen 4.007 N/A THR 219.A N TYR 260.A OH no hydrogen 2.982 N/A THR 219.A OG1 TYR 260.A OH no hydrogen 3.313 N/A ILE 220.A N GLY 226.A O no hydrogen 2.889 N/A THR 222.A N ASP 61.A OD2 no hydrogen 3.237 N/A THR 222.A OG1 ASP 61.A OD1 no hydrogen 3.220 N/A THR 222.A OG1 ASP 61.A OD2 no hydrogen 2.518 N/A TYR 223.A N ILE 220.A O no hydrogen 3.311 N/A TYR 223.A OH GLN 56.A O no hydrogen 2.682 N/A GLY 226.A N TYR 223.A O no hydrogen 2.708 N/A ILE 228.A N CYS 218.A O no hydrogen 3.106 N/A PHE 230.A N ALA 216.A O no hydrogen 2.555 N/A MET 231.A N CYS 187.A O no hydrogen 2.795 N/A LEU 232.A N ALA 214.A O no hydrogen 2.918 N/A CYS 233.A N LEU 185.A O no hydrogen 3.243 N/A SER 234.A N VAL 212.A O no hydrogen 2.889 N/A SER 234.A OG ASN 236.A O no hydrogen 3.266 N/A SER 234.A OG THR 239.A OG1 no hydrogen 2.717 N/A LYS 235.A N GLY 183.A O no hydrogen 3.087 N/A LYS 235.A NZ LYS 176.A O no hydrogen 2.691 N/A LYS 235.A NZ LEU 179.A O no hydrogen 3.095 N/A LYS 235.A NZ LYS 180.A O no hydrogen 3.295 N/A ASN 236.A N SER 234.A OG no hydrogen 2.885 N/A SER 238.A N ASN 236.A OD1 no hydrogen 3.118 N/A THR 239.A N ASN 236.A O no hydrogen 3.026 N/A THR 239.A OG1 SER 234.A OG no hydrogen 2.717 N/A THR 239.A OG1 ASN 236.A O no hydrogen 3.141 N/A GLN 242.A N ASN 240.A OD1 no hydrogen 3.049 N/A GLN 242.A N GLN 242.A OE1 no hydrogen 2.860 N/A GLU 243.A N ASN 240.A OD1 no hydrogen 3.338 N/A GLN 246.A N CYS 75.A O no hydrogen 2.933 N/A LEU 248.A N SER 263.A OG no hydrogen 2.862 N/A THR 249.A N GLN 252.A OE1 no hydrogen 2.861 N/A THR 249.A OG1 GLN 252.A OE1 no hydrogen 3.325 N/A GLN 252.A N THR 249.A OG1 no hydrogen 3.182 N/A VAL 253.A N THR 249.A O no hydrogen 3.086 N/A ALA 254.A N GLN 250.A O no hydrogen 2.962 N/A GLN 255.A N GLN 251.A O no hydrogen 2.782 N/A MET 256.A N GLN 252.A O no hydrogen 2.790 N/A GLN 257.A N ALA 254.A O no hydrogen 3.122 N/A LEU 258.A N VAL 253.A O no hydrogen 3.157 N/A LYS 259.A N GLU 67.A OE1 no hydrogen 3.220 N/A LYS 259.A N GLU 67.A OE2 no hydrogen 2.786 N/A TYR 260.A N GLU 67.A OE1 no hydrogen 2.794 N/A TYR 260.A OH THR 219.A OG1 no hydrogen 3.313 N/A TYR 261.A N GLU 67.A OE1 no hydrogen 2.979 N/A TYR 261.A OH HIS 266.A ND1 no hydrogen 2.803 N/A VAL 265.A N ASN 262.A OD1 no hydrogen 2.793 N/A HIS 266.A N ASN 262.A O no hydrogen 2.857 N/A HIS 266.A ND1 TYR 261.A OH no hydrogen 2.803 N/A HIS 266.A NE2 PHE 241.A O no hydrogen 2.706 N/A ARG 267.A N SER 263.A O no hydrogen 3.250 N/A ARG 267.A NE GLU 243.A OE1 no hydrogen 3.332 N/A ARG 267.A NE GLU 243.A OE2 no hydrogen 3.060 N/A ARG 267.A NH2 GLU 243.A OE2 no hydrogen 3.039 N/A ALA 268.A N ASP 264.A O no hydrogen 2.914 N/A ALA 269.A N VAL 265.A O no hydrogen 2.901 N/A ALA 269.A N HIS 266.A O no hydrogen 3.281 N/A PHE 270.A N ARG 267.A O no hydrogen 3.440 N/A VAL 271.A N ALA 268.A O no hydrogen 2.955 N/A ALA 276.A N PRO 273.A O no hydrogen 2.936 N/A ARG 277.A N PRO 273.A O no hydrogen 2.933 N/A ARG 277.A NE GLU 274.A OE1 no hydrogen 3.180 N/A ARG 277.A NH1 GLU 274.A OE2 no hydrogen 2.963 N/A LYS 278.A N GLU 274.A O no hydrogen 2.852 N/A ALA 279.A N PHE 275.A O no hydrogen 3.283 N/A LEU 280.A N ALA 276.A O no hydrogen 3.044 N/A ASN 281.A N LYS 278.A O no hydrogen 3.369 N/A ASP 282.A N LYS 278.A O no hydrogen 2.846 N/A