Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qpp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N TYR 1.A O no hydrogen 3.188 N/A CYS 4.A SG TYR 1.A O no hydrogen 3.395 N/A VAL 8.A N CYS 4.A O no hydrogen 3.287 N/A SER 9.A N TYR 5.A O no hydrogen 2.928 N/A SER 9.A OG TYR 5.A O no hydrogen 3.077 N/A VAL 10.A N SER 6.A O no hydrogen 2.915 N/A HIS 11.A N ASP 7.A O no hydrogen 3.332 N/A HIS 11.A ND1 ASP 7.A O no hydrogen 2.881 N/A GLU 12.A N VAL 8.A O no hydrogen 2.934 N/A GLU 13.A N SER 9.A O no hydrogen 3.005 N/A MET 14.A N VAL 10.A O no hydrogen 2.921 N/A ILE 15.A N HIS 11.A O no hydrogen 2.950 N/A ALA 16.A N GLU 12.A O no hydrogen 2.749 N/A ASP 17.A N GLU 13.A O no hydrogen 3.018 N/A ARG 18.A NH1 ASP 22.A OD2 no hydrogen 2.853 N/A ARG 20.A NE MET 14.A O no hydrogen 2.957 N/A ARG 20.A NH1 GLU 109.A OE1 no hydrogen 3.087 N/A ARG 20.A NH2 MET 14.A O no hydrogen 3.180 N/A ARG 20.A NH2 THR 21.A OG1 no hydrogen 3.103 N/A THR 21.A N ASP 17.A O no hydrogen 3.050 N/A THR 21.A OG1 ILE 15.A O no hydrogen 3.316 N/A THR 21.A OG1 ASP 17.A O no hydrogen 3.069 N/A ASP 22.A N ARG 18.A O no hydrogen 2.768 N/A ALA 23.A N VAL 19.A O no hydrogen 2.947 N/A TYR 24.A N ARG 20.A O no hydrogen 3.096 N/A TYR 24.A OH SER 108.A O no hydrogen 2.548 N/A ARG 25.A N THR 21.A O no hydrogen 3.109 N/A ARG 25.A NH1 ASP 22.A OD1 no hydrogen 3.101 N/A LEU 26.A N ASP 22.A O no hydrogen 2.978 N/A GLY 27.A N ALA 23.A O no hydrogen 2.743 N/A ILE 28.A N TYR 24.A O no hydrogen 2.857 N/A LEU 29.A N ARG 25.A O no hydrogen 2.890 N/A ARG 30.A N LEU 26.A O no hydrogen 2.945 N/A ARG 30.A NH1 LYS 257.A O no hydrogen 2.925 N/A ASN 31.A N ILE 28.A O no hydrogen 3.040 N/A ASN 31.A ND2 GLY 27.A O no hydrogen 3.102 N/A ASN 31.A ND2 PRO 251.A O no hydrogen 3.054 N/A TRP 32.A N LEU 29.A O no hydrogen 3.202 N/A LEU 35.A N ASN 31.A O no hydrogen 3.035 N/A LEU 35.A N TRP 32.A O no hydrogen 3.239 N/A ARG 36.A N TRP 32.A O no hydrogen 2.838 N/A GLY 37.A N GLY 58.A O no hydrogen 2.729 N/A LYS 38.A N LEU 35.A O no hydrogen 3.000 N/A THR 39.A N ASP 104.A OD2 no hydrogen 2.981 N/A THR 39.A OG1 ASP 104.A OD2 no hydrogen 3.011 N/A VAL 40.A N ARG 61.A O no hydrogen 2.909 N/A LEU 41.A N ALA 105.A O no hydrogen 2.973 N/A ASP 42.A N TYR 63.A O no hydrogen 2.865 N/A VAL 43.A N VAL 107.A O no hydrogen 3.014 N/A GLY 44.A N VAL 65.A O no hydrogen 2.726 N/A ALA 45.A N VAL 65.A O no hydrogen 2.967 N/A GLY 46.A N GLU 66.A OE1 no hydrogen 2.597 N/A GLY 48.A N ALA 45.A O no hydrogen 2.736 N/A SER 51.A OG ASP 42.A OD2 no hydrogen 2.652 N/A ILE 52.A N GLY 48.A O no hydrogen 3.104 N/A PHE 53.A N ILE 49.A O no hydrogen 3.076 N/A CYS 54.A N LEU 50.A O no hydrogen 3.042 N/A CYS 54.A SG LEU 50.A O no hydrogen 3.383 N/A ALA 55.A N SER 51.A O no hydrogen 3.145 N/A GLN 56.A N ILE 52.A O no hydrogen 2.872 N/A ALA 57.A N PHE 53.A O no hydrogen 2.948 N/A GLY 58.A N ALA 55.A O no hydrogen 2.867 N/A ALA 59.A N CYS 54.A O no hydrogen 3.047 N/A ARG 60.A N LYS 38.A O no hydrogen 2.878 N/A VAL 62.A N ARG 86.A O no hydrogen 2.804 N/A TYR 63.A N VAL 40.A O no hydrogen 2.702 N/A TYR 63.A OH GLU 101.A OE2 no hydrogen 2.571 N/A ALA 64.A N HIS 88.A O no hydrogen 2.999 N/A VAL 65.A N ASP 42.A O no hydrogen 3.008 N/A GLU 66.A N LEU 90.A O no hydrogen 3.277 N/A SER 68.A N GLU 66.A OE2 no hydrogen 3.097 N/A SER 68.A OG ASP 7.A OD2 no hydrogen 3.138 N/A ILE 70.A N SER 68.A OG no hydrogen 2.937 N/A TRP 71.A N SER 68.A O no hydrogen 3.283 N/A GLN 72.A N ALA 69.A O no hydrogen 3.308 N/A GLN 73.A N ILE 70.A O no hydrogen 2.860 N/A ALA 74.A N ILE 70.A O no hydrogen 3.046 N/A ARG 75.A N TRP 71.A O no hydrogen 2.925 N/A GLU 76.A N GLN 72.A O no hydrogen 3.142 N/A VAL 77.A N GLN 73.A O no hydrogen 2.884 N/A VAL 78.A N ALA 74.A O no hydrogen 2.989 N/A ARG 79.A N ARG 75.A O no hydrogen 3.111 N/A PHE 80.A N GLU 76.A O no hydrogen 2.893 N/A ASN 81.A N VAL 77.A O no hydrogen 3.025 N/A ASN 81.A ND2 VAL 77.A O no hydrogen 2.756 N/A GLY 82.A N ARG 79.A O no hydrogen 3.004 N/A LEU 83.A N VAL 78.A O no hydrogen 2.897 N/A GLU 84.A N GLU 84.A OE2 no hydrogen 2.749 N/A ARG 86.A N LEU 83.A O no hydrogen 3.017 N/A ARG 86.A NE ALA 59.A O no hydrogen 3.090 N/A ARG 86.A NH2 ALA 55.A O no hydrogen 2.801 N/A ARG 86.A NH2 ALA 59.A O no hydrogen 2.663 N/A VAL 87.A N LEU 83.A O no hydrogen 2.711 N/A HIS 88.A N VAL 62.A O no hydrogen 2.873 N/A LEU 90.A N ALA 64.A O no hydrogen 2.787 N/A GLY 92.A N GLU 66.A O no hydrogen 2.991 N/A THR 96.A N PRO 93.A O no hydrogen 3.319 N/A THR 96.A OG1 PRO 93.A O no hydrogen 3.527 N/A VAL 97.A N PRO 93.A O no hydrogen 3.074 N/A VAL 103.A N TRP 131.A O no hydrogen 2.881 N/A ASP 104.A N THR 39.A O no hydrogen 2.965 N/A ASP 104.A N THR 39.A OG1 no hydrogen 3.254 N/A ALA 105.A N THR 39.A O no hydrogen 3.106 N/A ILE 106.A N LEU 137.A O no hydrogen 2.839 N/A VAL 107.A N LEU 41.A O no hydrogen 2.997 N/A SER 108.A N LEU 139.A O no hydrogen 3.224 N/A SER 108.A OG VAL 43.A O no hydrogen 3.087 N/A GLY 112.A N LEU 115.A O no hydrogen 2.812 N/A LEU 116.A N GLY 114.A O no hydrogen 2.789 N/A HIS 117.A N TYR 113.A O no hydrogen 3.069 N/A GLU 118.A N ARG 305.A O no hydrogen 2.730 N/A MET 120.A N TRP 110.A O no hydrogen 2.959 N/A LEU 121.A N SER 119.A OG no hydrogen 3.417 N/A SER 123.A OG GLU 95.A OE1 no hydrogen 3.081 N/A SER 123.A OG GLU 95.A OE2 no hydrogen 3.408 N/A VAL 124.A N MET 120.A O no hydrogen 3.001 N/A LEU 125.A N LEU 121.A O no hydrogen 2.868 N/A HIS 126.A N SER 122.A O no hydrogen 2.737 N/A ALA 127.A N SER 123.A O no hydrogen 2.901 N/A ARG 128.A N VAL 124.A O no hydrogen 2.900 N/A ARG 128.A NH1 LEU 212.A O no hydrogen 2.764 N/A ARG 128.A NH1 ARG 214.A O no hydrogen 2.704 N/A THR 129.A N LEU 125.A O no hydrogen 3.322 N/A THR 129.A OG1 LEU 125.A O no hydrogen 3.257 N/A LYS 130.A N HIS 126.A O no hydrogen 3.092 N/A LYS 130.A NZ GLU 95.A O no hydrogen 3.234 N/A TRP 131.A N ALA 127.A O no hydrogen 3.000 N/A LEU 132.A N ARG 128.A O no hydrogen 2.950 N/A LYS 133.A N VAL 103.A O no hydrogen 2.889 N/A LYS 133.A NZ ASP 104.A OD1 no hydrogen 2.901 N/A LYS 133.A NZ ASP 104.A OD2 no hydrogen 3.550 N/A GLY 136.A N LYS 133.A O no hydrogen 2.847 N/A LEU 137.A N ASP 104.A O no hydrogen 3.026 N/A LEU 139.A N ILE 106.A O no hydrogen 2.913 N/A ALA 141.A N THR 249.A O no hydrogen 2.894 N/A ALA 143.A N LEU 210.A O no hydrogen 2.982 N/A GLU 144.A N GLN 247.A O no hydrogen 2.921 N/A LEU 145.A N ALA 208.A O no hydrogen 2.993 N/A PHE 146.A N TRP 245.A O no hydrogen 2.866 N/A ILE 147.A N GLN 205.A O no hydrogen 2.856 N/A VAL 148.A N ALA 243.A O no hydrogen 3.096 N/A ILE 150.A N GLY 241.A O no hydrogen 2.844 N/A SER 151.A N ASP 199.A O no hydrogen 2.719 N/A SER 151.A OG PRO 238.A O no hydrogen 2.837 N/A MET 154.A N ASP 152.A OD1 no hydrogen 2.921 N/A LEU 155.A N ASP 152.A OD1 no hydrogen 3.208 N/A GLU 156.A N ASP 152.A O no hydrogen 3.063 N/A TRP 157.A N GLN 153.A O no hydrogen 3.104 N/A ARG 158.A N MET 154.A O no hydrogen 2.992 N/A LEU 159.A N LEU 155.A O no hydrogen 2.843 N/A GLY 160.A N GLU 156.A O no hydrogen 2.975 N/A SER 163.A OG GLY 160.A O no hydrogen 2.868 N/A GLN 164.A N PHE 161.A O no hydrogen 2.966 N/A VAL 165.A N TRP 162.A O no hydrogen 3.503 N/A GLN 167.A N GLN 164.A O no hydrogen 3.144 N/A TYR 169.A N VAL 165.A O no hydrogen 3.190 N/A GLY 170.A N LYS 166.A O no hydrogen 2.871 N/A SER 174.A N ASP 172.A OD1 no hydrogen 2.999 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 2.721 N/A LEU 176.A N MET 173.A O no hydrogen 3.026 N/A GLU 177.A N SER 174.A O no hydrogen 3.215 N/A ALA 180.A N LEU 176.A O no hydrogen 2.774 N/A THR 181.A N GLU 177.A O no hydrogen 2.773 N/A THR 181.A OG1 GLU 177.A O no hydrogen 2.652 N/A ARG 182.A N GLY 178.A O no hydrogen 2.928 N/A ARG 182.A NE GLY 178.A O no hydrogen 3.117 N/A CYS 183.A N PHE 179.A O no hydrogen 3.020 N/A CYS 183.A SG PHE 179.A O no hydrogen 3.117 N/A LEU 184.A N ALA 180.A O no hydrogen 2.936 N/A MET 185.A N THR 181.A O no hydrogen 3.150 N/A GLY 186.A N ARG 182.A O no hydrogen 2.933 N/A HIS 187.A NE2 LEU 184.A O no hydrogen 2.666 N/A GLU 189.A N HIS 187.A ND1 no hydrogen 3.399 N/A ILE 190.A N ALA 326.A O no hydrogen 3.035 N/A VAL 191.A N LEU 276.A O no hydrogen 3.133 N/A GLN 193.A N GLN 274.A O no hydrogen 2.990 N/A GLN 193.A NE2 ASP 152.A OD2 no hydrogen 3.022 N/A LEU 195.A N GLN 274.A OE1 no hydrogen 2.763 N/A SER 196.A N ASP 199.A OD2 no hydrogen 3.237 N/A SER 196.A OG GLN 153.A OE1 no hydrogen 3.380 N/A SER 196.A OG GLU 198.A OE1 no hydrogen 3.295 N/A SER 196.A OG ASP 199.A OD1 no hydrogen 3.286 N/A SER 196.A OG ASP 199.A OD2 no hydrogen 3.329 N/A ASP 199.A N SER 196.A O no hydrogen 3.150 N/A VAL 200.A N GLY 197.A O no hydrogen 3.153 N/A LEU 201.A N PRO 149.A O no hydrogen 2.935 N/A GLN 205.A N ILE 147.A O no hydrogen 2.917 N/A GLN 205.A NE2 ARG 203.A O no hydrogen 2.835 N/A ARG 206.A NH1 GLU 144.A OE2 no hydrogen 2.897 N/A PHE 207.A N LEU 145.A O no hydrogen 2.930 N/A GLN 209.A NE2 GLU 144.A OE2 no hydrogen 3.469 N/A LEU 210.A N ALA 143.A O no hydrogen 2.761 N/A LEU 212.A N ALA 141.A O no hydrogen 3.116 N/A ARG 214.A N GLU 211.A O no hydrogen 3.163 N/A ARG 214.A NH1 GLU 220.A OE2 no hydrogen 2.538 N/A GLU 220.A N GLY 216.A O no hydrogen 3.330 N/A LEU 221.A N LEU 217.A O no hydrogen 2.946 N/A GLY 224.A N LEU 221.A O no hydrogen 2.848 N/A VAL 225.A N LEU 297.A O no hydrogen 3.068 N/A GLY 227.A N ILE 295.A O no hydrogen 2.837 N/A PHE 229.A N GLY 293.A O no hydrogen 2.922 N/A CYS 231.A N VAL 291.A O no hydrogen 2.890 N/A CYS 231.A SG VAL 291.A O no hydrogen 3.632 N/A CYS 233.A N THR 289.A O no hydrogen 2.796 N/A CYS 233.A SG THR 289.A O no hydrogen 3.623 N/A TYR 234.A N LEU 201.A O no hydrogen 2.885 N/A ALA 237.A N VAL 285.A O no hydrogen 3.185 N/A MET 239.A N VAL 283.A O no hydrogen 2.724 N/A HIS 240.A N ILE 150.A O no hydrogen 3.126 N/A PHE 242.A N LEU 277.A O no hydrogen 2.848 N/A ALA 243.A N VAL 148.A O no hydrogen 2.965 N/A ILE 244.A N ALA 275.A O no hydrogen 2.853 N/A TRP 245.A N PHE 146.A O no hydrogen 3.124 N/A PHE 246.A N THR 263.A OG1 no hydrogen 3.064 N/A GLN 247.A N GLU 144.A O no hydrogen 2.952 N/A VAL 248.A N LEU 261.A O no hydrogen 2.948 N/A THR 249.A N SER 142.A O no hydrogen 3.106 N/A PHE 250.A N LEU 259.A O no hydrogen 2.820 N/A SER 255.A OG GLY 252.A O no hydrogen 3.544 N/A GLU 256.A N GLY 253.A O no hydrogen 3.124 N/A LEU 259.A N PHE 250.A O no hydrogen 3.268 N/A LEU 261.A N VAL 248.A O no hydrogen 2.925 N/A THR 263.A N PHE 246.A O no hydrogen 2.927 N/A THR 263.A OG1 PHE 246.A O no hydrogen 2.697 N/A SER 264.A N SER 262.A OG no hydrogen 3.036 N/A PHE 266.A N SER 264.A OG no hydrogen 2.805 N/A HIS 267.A N SER 264.A O no hydrogen 3.144 N/A HIS 271.A N ASP 17.A OD2 no hydrogen 2.994 N/A HIS 271.A ND1 ASP 17.A OD2 no hydrogen 2.698 N/A TRP 272.A N THR 270.A OG1 no hydrogen 3.073 N/A TRP 272.A NE1 MET 111.A O no hydrogen 2.960 N/A LYS 273.A N THR 270.A O no hydrogen 3.194 N/A GLN 274.A N GLN 193.A O no hydrogen 3.228 N/A GLN 274.A NE2 THR 263.A O no hydrogen 2.907 N/A ALA 275.A N ILE 244.A O no hydrogen 3.074 N/A LEU 276.A N VAL 191.A O no hydrogen 2.718 N/A LEU 277.A N PHE 242.A O no hydrogen 2.704 N/A TYR 278.A OH ASP 152.A OD2 no hydrogen 2.474 N/A LEU 279.A N HIS 240.A O no hydrogen 2.904 N/A VAL 283.A N MET 239.A O no hydrogen 2.784 N/A VAL 285.A N ALA 237.A O no hydrogen 2.980 N/A GLU 286.A N THR 289.A OG1 no hydrogen 2.639 N/A ASP 288.A N CYS 233.A O no hydrogen 2.799 N/A THR 289.A N GLU 286.A O no hydrogen 3.130 N/A THR 289.A OG1 GLU 286.A O no hydrogen 3.010 N/A VAL 291.A N CYS 231.A O no hydrogen 2.821 N/A SER 292.A N LYS 314.A O no hydrogen 3.091 N/A GLY 293.A N PHE 229.A O no hydrogen 2.955 N/A GLU 294.A N ARG 312.A O no hydrogen 2.760 N/A ILE 295.A N GLY 227.A O no hydrogen 3.076 N/A THR 296.A N LEU 310.A O no hydrogen 2.964 N/A LEU 297.A N VAL 225.A O no hydrogen 2.702 N/A LEU 298.A N ARG 308.A O no hydrogen 2.859 N/A SER 300.A N ARG 306.A O no hydrogen 3.081 N/A SER 300.A OG.A ARG 306.A O no hydrogen 2.957 N/A SER 300.A OG.B ASN 303.A O no hydrogen 2.478 N/A ARG 305.A N ASN 303.A OD1 no hydrogen 3.148 N/A ARG 305.A NH1 SER 119.A O no hydrogen 3.019 N/A ARG 306.A N ASN 303.A O no hydrogen 3.104 N/A ARG 306.A NE MET 327.A O no hydrogen 2.702 N/A ARG 306.A NH2 MET 327.A O no hydrogen 3.527 N/A LEU 307.A N HIS 117.A ND1 no hydrogen 3.402 N/A ARG 308.A N LEU 298.A O no hydrogen 2.857 N/A ARG 308.A NH1 ASP 324.A OD2 no hydrogen 3.378 N/A VAL 309.A N PHE 325.A O no hydrogen 3.019 N/A LEU 310.A N THR 296.A O no hydrogen 2.948 N/A LEU 311.A N LYS 323.A O no hydrogen 2.990 N/A ARG 312.A N GLU 294.A O no hydrogen 2.824 N/A TYR 313.A N LYS 321.A O no hydrogen 2.810 N/A LYS 314.A N SER 292.A O no hydrogen 2.842 N/A LYS 314.A NZ GLN 318.A O no hydrogen 2.883 N/A GLY 316.A N ASP 290.A O no hydrogen 2.782 N/A GLN 318.A N VAL 315.A O no hydrogen 3.101 N/A LYS 321.A N TYR 313.A O no hydrogen 2.728 N/A LYS 323.A N LEU 311.A O no hydrogen 2.917 N/A LYS 323.A NZ HIS 187.A O no hydrogen 2.875 N/A LYS 323.A NZ TYR 278.A O no hydrogen 2.823 N/A LYS 323.A NZ ASN 280.A OD1 no hydrogen 2.807 N/A PHE 325.A N VAL 309.A O no hydrogen 2.890 N/A ALA 326.A N SER 188.A O no hydrogen 3.051 N/A MET 327.A N LEU 307.A O no hydrogen 3.021 N/A