Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5say_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N VAL 79.A O no hydrogen 2.925 N/A ARG 6.A NH1 PRO 85.A O no hydrogen 2.576 N/A ARG 6.A NH2 PRO 85.A O no hydrogen 2.902 N/A ARG 8.A N PRO 5.A O no hydrogen 2.856 N/A ARG 8.A NH1 ASP 29.A O no hydrogen 2.790 N/A LEU 9.A N ARG 6.A O no hydrogen 2.974 N/A ARG 10.A N GLU 27.A O no hydrogen 2.987 N/A ARG 10.A NH1 ASP 29.A OD1 no hydrogen 3.328 N/A ARG 10.A NH1 ASP 29.A OD2 no hydrogen 2.675 N/A ARG 10.A NH2 GLU 27.A OE2 no hydrogen 3.214 N/A ARG 10.A NH2 ASP 29.A OD1 no hydrogen 3.122 N/A LYS 12.A N LEU 25.A O no hydrogen 2.773 N/A GLU 13.A N LEU 25.A O no hydrogen 3.327 N/A LYS 14.A NZ GLU 17.A OE1 no hydrogen 3.433 N/A LEU 15.A N VAL 23.A O no hydrogen 2.750 N/A GLY 16.A N VAL 23.A O no hydrogen 3.105 N/A GLY 18.A N GLY 21.A O no hydrogen 2.737 N/A GLU 22.A N ILE 45.A O no hydrogen 3.198 N/A VAL 23.A N GLY 16.A O no hydrogen 2.689 N/A HIS 24.A N VAL 43.A O no hydrogen 2.736 N/A HIS 24.A NE2 GLU 22.A OE1 no hydrogen 2.900 N/A LEU 25.A N GLU 13.A O no hydrogen 2.956 N/A CYS 26.A N VAL 41.A O no hydrogen 2.902 N/A GLU 27.A N ARG 10.A O no hydrogen 2.641 N/A VAL 28.A N LEU 39.A O no hydrogen 2.782 N/A SER 30.A OG GLN 32.A OE1 no hydrogen 2.584 N/A GLN 32.A N SER 30.A O no hydrogen 2.701 N/A GLN 32.A N GLN 32.A OE1 no hydrogen 2.784 N/A GLN 32.A NE2 SER 30.A OG no hydrogen 2.500 N/A LEU 39.A N VAL 28.A O no hydrogen 3.045 N/A VAL 41.A N CYS 26.A O no hydrogen 2.856 N/A ALA 42.A N THR 90.A O no hydrogen 2.855 N/A VAL 43.A N HIS 24.A O no hydrogen 2.665 N/A LYS 44.A N MET 88.A O no hydrogen 2.909 N/A LYS 44.A NZ GLU 61.A OE1 no hydrogen 2.856 N/A LYS 44.A NZ GLU 61.A OE2 no hydrogen 3.528 N/A ILE 45.A N GLU 22.A O no hydrogen 3.089 N/A LEU 46.A N LEU 86.A O no hydrogen 2.914 N/A ARG 47.A N PHE 20.A O no hydrogen 2.695 N/A ALA 50.A N ARG 47.A O no hydrogen 2.979 N/A ARG 55.A N THR 51.A O no hydrogen 3.072 N/A ASN 56.A N LYS 52.A O no hydrogen 3.127 N/A ASP 57.A N ASN 53.A O no hydrogen 2.959 N/A PHE 58.A N ALA 54.A O no hydrogen 2.876 N/A LEU 59.A N ARG 55.A O no hydrogen 2.984 N/A LYS 60.A N ASN 56.A O no hydrogen 2.971 N/A GLU 61.A N ASP 57.A O no hydrogen 2.830 N/A VAL 62.A N PHE 58.A O no hydrogen 2.974 N/A LYS 63.A N LEU 59.A O no hydrogen 3.140 N/A ILE 64.A N LYS 60.A O no hydrogen 2.963 N/A MET 65.A N GLU 61.A O no hydrogen 3.145 N/A SER 66.A N VAL 62.A O no hydrogen 3.319 N/A SER 66.A OG LYS 63.A O no hydrogen 2.702 N/A ARG 67.A N ILE 64.A O no hydrogen 3.354 N/A LEU 68.A N MET 65.A O no hydrogen 2.997 N/A LYS 69.A N TYR 139.A OH no hydrogen 2.970 N/A LYS 69.A NZ SER 66.A O no hydrogen 3.438 N/A ASN 72.A N ASP 70.A OD2 no hydrogen 3.122 N/A ILE 73.A N ASP 70.A O no hydrogen 2.986 N/A ILE 74.A N ILE 165.A O no hydrogen 3.021 N/A ARG 75.A NE ASP 91.A OD1 no hydrogen 3.193 N/A ARG 75.A NH2 ASP 91.A OD2 no hydrogen 3.244 N/A LEU 77.A N ILE 89.A O no hydrogen 2.689 N/A GLY 78.A N ILE 89.A O no hydrogen 3.433 N/A CYS 80.A N CYS 87.A O no hydrogen 3.011 N/A CYS 80.A SG PHE 4.A O no hydrogen 3.222 N/A VAL 81.A N ASP 3.A OD1 no hydrogen 3.228 N/A VAL 81.A N ASP 3.A OD2 no hydrogen 3.176 N/A GLN 82.A N ASP 3.A OD2 no hydrogen 2.940 N/A CYS 87.A N CYS 80.A O no hydrogen 3.024 N/A CYS 87.A SG PRO 85.A O no hydrogen 3.502 N/A MET 88.A N LYS 44.A O no hydrogen 2.835 N/A ILE 89.A N GLY 78.A O no hydrogen 2.952 N/A THR 90.A N ALA 42.A O no hydrogen 2.997 N/A THR 90.A OG1 ARG 75.A O no hydrogen 2.804 N/A TYR 92.A N LEU 40.A O no hydrogen 2.990 N/A ASN 95.A N VAL 157.A O no hydrogen 3.024 N/A ASN 95.A ND2 GLY 158.A O no hydrogen 2.915 N/A GLY 96.A N MET 93.A O no hydrogen 3.206 N/A LEU 98.A N CYS 155.A O no hydrogen 2.909 N/A ASN 99.A ND2 THR 152.A OG1 no hydrogen 3.076 N/A GLN 100.A N ASP 97.A OD1 no hydrogen 3.060 N/A GLN 100.A NE2 ASP 97.A OD2 no hydrogen 2.649 N/A PHE 101.A N ASP 97.A O no hydrogen 3.053 N/A LEU 102.A N LEU 98.A O no hydrogen 2.939 N/A SER 103.A N ASN 99.A O no hydrogen 3.030 N/A SER 103.A OG ASN 99.A O no hydrogen 3.041 N/A SER 103.A OG CYS 223.A O no hydrogen 3.517 N/A ALA 104.A N PHE 101.A O no hydrogen 3.020 N/A HIS 105.A N LEU 102.A O no hydrogen 3.071 N/A HIS 105.A ND1 PHE 101.A O no hydrogen 2.683 N/A GLN 106.A N PRO 119.A O no hydrogen 2.914 N/A GLN 106.A NE2 ASP 118.A O no hydrogen 3.118 N/A GLU 108.A N ILE 121.A O no hydrogen 3.015 N/A LYS 110.A NZ GLU 108.A OE1 no hydrogen 3.410 N/A ALA 111.A N ASP 109.A OD1 no hydrogen 2.973 N/A ILE 121.A N GLN 106.A O no hydrogen 3.073 N/A MET 125.A N SER 122.A OG no hydrogen 3.133 N/A LEU 126.A N SER 122.A O no hydrogen 3.033 N/A LEU 127.A N TYR 123.A O no hydrogen 3.081 N/A HIS 128.A N PRO 124.A O no hydrogen 3.027 N/A VAL 129.A N MET 125.A O no hydrogen 2.928 N/A ALA 130.A N LEU 126.A O no hydrogen 2.948 N/A ALA 131.A N LEU 127.A O no hydrogen 2.752 N/A GLN 132.A N HIS 128.A O no hydrogen 3.324 N/A GLN 132.A NE2 HIS 128.A O no hydrogen 3.135 N/A GLN 132.A NE2 PHE 161.A O no hydrogen 2.859 N/A ILE 133.A N VAL 129.A O no hydrogen 3.298 N/A ALA 134.A N ALA 130.A O no hydrogen 3.008 N/A SER 135.A N ALA 131.A O no hydrogen 2.827 N/A GLY 136.A N GLN 132.A O no hydrogen 2.910 N/A MET 137.A N ILE 133.A O no hydrogen 2.941 N/A ARG 138.A N ALA 134.A O no hydrogen 2.774 N/A ARG 138.A NH2 SER 135.A OG no hydrogen 2.852 N/A TYR 139.A N SER 135.A O no hydrogen 3.089 N/A LEU 140.A N GLY 136.A O no hydrogen 2.985 N/A ALA 141.A N MET 137.A O no hydrogen 2.894 N/A THR 142.A N ARG 138.A O no hydrogen 3.238 N/A THR 142.A N TYR 139.A O no hydrogen 3.005 N/A THR 142.A OG1 TYR 139.A O no hydrogen 2.893 N/A LEU 143.A N TYR 139.A O no hydrogen 3.272 N/A LEU 143.A N LEU 140.A O no hydrogen 2.842 N/A ASN 144.A N ALA 141.A O no hydrogen 2.918 N/A PHE 145.A N LEU 140.A O no hydrogen 3.033 N/A HIS 147.A N ASP 208.A OD2 no hydrogen 2.991 N/A HIS 147.A NE2 ALA 166.A O no hydrogen 2.805 N/A ARG 148.A N ASP 208.A OD1 no hydrogen 3.103 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 2.959 N/A THR 152.A N GLU 218.A OE2 no hydrogen 3.022 N/A THR 152.A OG1 GLU 218.A OE1 no hydrogen 2.901 N/A ARG 153.A NE TYR 179.A OH no hydrogen 2.762 N/A ARG 153.A NH2 ASP 149.A OD1 no hydrogen 2.915 N/A ARG 153.A NH2 TYR 179.A OH no hydrogen 3.350 N/A ASN 154.A N ALA 151.A O no hydrogen 2.973 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.878 N/A ASN 154.A ND2 ASP 149.A OD2 no hydrogen 3.255 N/A CYS 155.A N THR 152.A O no hydrogen 2.995 N/A CYS 155.A SG ALA 151.A O no hydrogen 3.777 N/A LEU 156.A N LYS 164.A O no hydrogen 2.860 N/A VAL 157.A N GLY 96.A O no hydrogen 2.892 N/A GLY 158.A N THR 162.A O no hydrogen 2.811 N/A THR 162.A N GLU 159.A O no hydrogen 3.216 N/A THR 162.A OG1 GLU 159.A O no hydrogen 2.993 N/A ILE 163.A N GLN 132.A OE1 no hydrogen 2.875 N/A LYS 164.A N LEU 156.A O no hydrogen 2.948 N/A ILE 165.A N ASN 72.A O no hydrogen 2.857 N/A ALA 166.A N ASN 154.A O no hydrogen 2.811 N/A PHE 168.A N ASN 154.A OD1 no hydrogen 3.230 N/A GLY 169.A N ASP 167.A OD1 no hydrogen 2.934 N/A ARG 172.A NH2 ARG 153.A O no hydrogen 2.997 N/A TYR 175.A N ARG 172.A O no hydrogen 3.099 N/A TYR 175.A OH ASP 97.A OD1 no hydrogen 3.017 N/A ALA 176.A N ASN 173.A O no hydrogen 3.436 N/A ASP 178.A N TYR 175.A O no hydrogen 2.795 N/A TYR 179.A OH ASP 149.A OD2 no hydrogen 2.690 N/A TYR 180.A N LEU 188.A O no hydrogen 2.704 N/A ARG 181.A NH1 ALA 176.A O no hydrogen 3.297 N/A ARG 181.A NH2 ALA 176.A O no hydrogen 2.923 N/A ARG 185.A N VAL 182.A O no hydrogen 3.116 N/A LEU 188.A N TYR 180.A O no hydrogen 2.926 N/A ARG 191.A NH1 PRO 227.A O no hydrogen 2.967 N/A ARG 191.A NH1 PHE 228.A O no hydrogen 3.038 N/A ARG 191.A NH1 LEU 231.A O no hydrogen 3.245 N/A ARG 191.A NH2 LEU 231.A O no hydrogen 2.905 N/A ARG 191.A NH2 ASP 233.A OD1 no hydrogen 3.036 N/A TRP 192.A N PRO 189.A O no hydrogen 3.020 N/A TRP 192.A NE1 GLU 218.A OE2 no hydrogen 2.992 N/A MET 193.A N ILE 190.A O no hydrogen 3.120 N/A TRP 195.A NE1 ARG 273.A O no hydrogen 2.849 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.835 N/A CYS 197.A N ALA 194.A O no hydrogen 2.776 N/A CYS 197.A SG LYS 202.A O no hydrogen 3.471 N/A ILE 198.A N ALA 194.A O no hydrogen 3.127 N/A LEU 199.A N TRP 195.A O no hydrogen 2.979 N/A MET 200.A N GLU 196.A O no hydrogen 2.846 N/A GLY 201.A N CYS 197.A O no hydrogen 2.831 N/A THR 204.A N SER 207.A OG no hydrogen 2.521 N/A SER 207.A N THR 204.A OG1 no hydrogen 3.207 N/A SER 207.A OG THR 204.A O no hydrogen 2.445 N/A ASP 208.A N THR 204.A O no hydrogen 3.023 N/A VAL 209.A N THR 205.A O no hydrogen 2.946 N/A TRP 210.A N ALA 206.A O no hydrogen 3.379 N/A ALA 211.A N SER 207.A O no hydrogen 3.049 N/A PHE 212.A N ASP 208.A O no hydrogen 2.807 N/A GLY 213.A N VAL 209.A O no hydrogen 3.056 N/A VAL 214.A N TRP 210.A O no hydrogen 3.182 N/A THR 215.A N ALA 211.A O no hydrogen 2.869 N/A THR 215.A OG1 ALA 211.A O no hydrogen 2.856 N/A LEU 216.A N PHE 212.A O no hydrogen 2.792 N/A TRP 217.A N GLY 213.A O no hydrogen 3.114 N/A TRP 217.A NE1 SER 254.A O no hydrogen 3.025 N/A GLU 218.A N VAL 214.A O no hydrogen 2.884 N/A VAL 219.A N THR 215.A O no hydrogen 3.018 N/A LEU 220.A N LEU 216.A O no hydrogen 3.069 N/A MET 221.A N TRP 217.A O no hydrogen 2.986 N/A LEU 222.A N VAL 219.A O no hydrogen 2.949 N/A CYS 223.A N GLU 218.A O no hydrogen 2.817 N/A CYS 223.A SG THR 152.A OG1 no hydrogen 3.412 N/A CYS 223.A SG GLU 218.A O no hydrogen 3.828 N/A ARG 224.A N MET 221.A O no hydrogen 3.117 N/A ARG 224.A NH1 LEU 102.A O no hydrogen 3.294 N/A ARG 224.A NH1 HIS 105.A O no hydrogen 3.254 N/A ARG 224.A NH1 LEU 222.A O no hydrogen 3.039 N/A ARG 224.A NH2 HIS 105.A O no hydrogen 3.033 N/A GLN 226.A NE2 GLY 177.A O no hydrogen 3.004 N/A GLN 226.A NE2 ASP 178.A OD1 no hydrogen 2.706 N/A LEU 231.A N PHE 228.A O no hydrogen 2.583 N/A THR 232.A N GLN 235.A OE1 no hydrogen 2.886 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.683 N/A GLN 235.A N THR 232.A OG1 no hydrogen 3.228 N/A VAL 236.A N THR 232.A O no hydrogen 2.988 N/A ILE 237.A N ASP 233.A O no hydrogen 2.970 N/A GLU 238.A N GLU 234.A O no hydrogen 2.813 N/A ASN 239.A N GLN 235.A O no hydrogen 2.922 N/A ASN 239.A ND2 VAL 251.A O no hydrogen 3.004 N/A ALA 240.A N VAL 236.A O no hydrogen 3.334 N/A ALA 240.A N ILE 237.A O no hydrogen 3.061 N/A GLY 241.A N ILE 237.A O no hydrogen 3.338 N/A GLU 242.A N GLU 238.A O no hydrogen 3.004 N/A GLU 242.A N ASN 239.A O no hydrogen 2.993 N/A PHE 243.A N ASN 239.A O no hydrogen 3.081 N/A PHE 244.A N ALA 240.A O no hydrogen 3.141 N/A ARG 245.A N GLY 241.A O no hydrogen 2.883 N/A ASP 246.A N GLU 242.A O no hydrogen 3.025 N/A GLN 250.A N GLN 250.A OE1 no hydrogen 2.553 N/A VAL 251.A N ASN 239.A OD1 no hydrogen 2.981 N/A ARG 255.A NH1 GLN 261.A OE1 no hydrogen 2.911 N/A CYS 259.A N PRO 256.A O no hydrogen 2.801 N/A CYS 259.A SG PRO 260.A O no hydrogen 3.394 N/A GLN 261.A NE2 GLU 265.A OE2 no hydrogen 2.752 N/A TYR 264.A N PRO 260.A O no hydrogen 3.098 N/A TYR 264.A OH LEU 253.A O no hydrogen 2.714 N/A GLU 265.A N GLN 261.A O no hydrogen 2.811 N/A LEU 266.A N GLY 262.A O no hydrogen 3.175 N/A MET 267.A N LEU 263.A O no hydrogen 3.278 N/A LEU 268.A N TYR 264.A O no hydrogen 2.990 N/A ARG 269.A N GLU 265.A O no hydrogen 3.156 N/A CYS 270.A N LEU 266.A O no hydrogen 3.313 N/A CYS 270.A SG LEU 266.A O no hydrogen 3.606 N/A TRP 271.A N LEU 268.A O no hydrogen 2.882 N/A SER 272.A N ARG 269.A O no hydrogen 3.313 N/A SER 272.A OG ARG 269.A O no hydrogen 2.786 N/A ARG 273.A NE PHE 243.A O no hydrogen 2.891 N/A ARG 273.A NH1 GLU 274.A OE2 no hydrogen 3.093 N/A ARG 273.A NH2 PHE 244.A O no hydrogen 2.870 N/A GLN 277.A N GLU 274.A O no hydrogen 3.243 N/A ARG 278.A N SER 275.A O no hydrogen 3.168 N/A ARG 278.A NE SER 272.A O no hydrogen 2.896 N/A ARG 278.A NH1 GLU 196.A OE2 no hydrogen 3.027 N/A ARG 278.A NH1 ALA 206.A O no hydrogen 3.022 N/A ARG 278.A NH2 GLU 196.A OE1 no hydrogen 2.973 N/A ARG 278.A NH2 GLU 196.A OE2 no hydrogen 3.454 N/A ARG 278.A NH2 SER 272.A O no hydrogen 3.201 N/A ARG 278.A NH2 ARG 273.A O no hydrogen 3.284 N/A LEU 284.A N PRO 280.A O no hydrogen 2.863 N/A HIS 285.A N PHE 281.A O no hydrogen 2.573 N/A ARG 286.A N SER 282.A O no hydrogen 3.006 N/A PHE 287.A N GLN 283.A O no hydrogen 3.248 N/A LEU 288.A N LEU 284.A O no hydrogen 3.072 N/A ALA 289.A N HIS 285.A O no hydrogen 3.005 N/A GLU 290.A N PHE 287.A O no hydrogen 3.468 N/A