Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pjk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASN 261.A O no hydrogen 3.554 N/A VAL 4.A N TYR 260.A O no hydrogen 2.935 N/A SER 6.A OG ARG 7.A O no hydrogen 3.475 N/A SER 6.A OG HIS 308.A NE2 no hydrogen 3.235 N/A ARG 7.A NH1 SER 6.A O no hydrogen 3.260 N/A ALA 8.A N TYR 181.A OH no hydrogen 2.971 N/A ARG 9.A NE GLN 309.A O no hydrogen 2.591 N/A TYR 11.A OH ASP 144.A OD1 no hydrogen 2.574 N/A THR 12.A OG1 ALA 8.A O no hydrogen 2.614 N/A ASN 15.A ND2 GLY 150.A O no hydrogen 2.948 N/A ASN 15.A ND2 TYR 181.A O no hydrogen 2.887 N/A THR 16.A N ASP 13.A O no hydrogen 3.376 N/A HIS 17.A N VAL 14.A O no hydrogen 3.381 N/A ARG 18.A N VAL 14.A O no hydrogen 3.202 N/A TYR 22.A N PRO 19.A O no hydrogen 3.336 N/A TYR 22.A OH MET 149.A O no hydrogen 2.627 N/A TRP 23.A N ARG 20.A O no hydrogen 3.230 N/A ASP 24.A N ARG 20.A O no hydrogen 2.913 N/A TYR 25.A OH GLU 179.A OE1 no hydrogen 3.265 N/A SER 27.A OG ASP 24.A OD2 no hydrogen 2.767 N/A GLY 33.A N ILE 99.A O no hydrogen 2.926 N/A ASN 34.A ND2 ASP 37.A OD1 no hydrogen 3.001 N/A ASP 37.A N ASN 34.A O no hydrogen 3.396 N/A TYR 38.A N GLN 35.A O no hydrogen 3.238 N/A TYR 38.A OH ASP 98.A OD2 no hydrogen 2.692 N/A GLN 39.A N ILE 56.A O no hydrogen 3.121 N/A VAL 41.A N GLU 54.A O no hydrogen 3.044 N/A ARG 42.A N GLU 54.A O no hydrogen 3.390 N/A ARG 42.A NE GLU 54.A OE1 no hydrogen 3.095 N/A ARG 42.A NH2 GLU 54.A OE1 no hydrogen 2.976 N/A LEU 44.A N VAL 52.A O no hydrogen 2.809 N/A GLY 45.A N VAL 52.A O no hydrogen 3.352 N/A GLY 47.A N SER 50.A O no hydrogen 2.795 N/A GLU 51.A N ILE 68.A O no hydrogen 2.945 N/A VAL 52.A N GLY 45.A O no hydrogen 2.980 N/A PHE 53.A N VAL 66.A O no hydrogen 2.853 N/A GLU 54.A N ARG 42.A O no hydrogen 2.793 N/A ALA 55.A N VAL 64.A O no hydrogen 2.963 N/A ILE 56.A N GLN 39.A O no hydrogen 3.077 N/A ASN 57.A N GLU 62.A O no hydrogen 2.956 N/A ILE 58.A N ASP 37.A O no hydrogen 2.697 N/A THR 59.A N ASN 57.A OD1 no hydrogen 3.127 N/A ASN 61.A ND2 ASN 61.A O no hydrogen 2.743 N/A GLU 62.A N ASN 60.A OD1 no hydrogen 3.476 N/A VAL 64.A N ALA 55.A O no hydrogen 2.954 N/A VAL 65.A N PHE 112.A O no hydrogen 3.101 N/A VAL 66.A N PHE 53.A O no hydrogen 2.781 N/A LYS 67.A N LEU 110.A O no hydrogen 2.875 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 2.810 N/A LYS 67.A NZ ASP 174.A OD2 no hydrogen 2.932 N/A ILE 68.A N GLU 51.A O no hydrogen 2.916 N/A LEU 69.A N PRO 108.A O no hydrogen 3.200 N/A LYS 70.A N TYR 49.A O no hydrogen 3.138 N/A ILE 77.A N LYS 73.A O no hydrogen 3.182 N/A LYS 78.A N LYS 74.A O no hydrogen 3.198 N/A LYS 78.A NZ GLU 26.A O no hydrogen 3.408 N/A ARG 79.A N LYS 75.A O no hydrogen 3.221 N/A ARG 79.A NH1 GLY 176.A O no hydrogen 3.184 N/A ARG 79.A NH2 GLU 179.A OE1 no hydrogen 3.479 N/A GLU 80.A N LYS 76.A O no hydrogen 3.247 N/A ILE 81.A N ILE 77.A O no hydrogen 3.319 N/A LYS 82.A N LYS 78.A O no hydrogen 2.868 N/A LYS 82.A NZ GLU 21.A O no hydrogen 2.966 N/A LYS 82.A NZ TYR 22.A O no hydrogen 3.188 N/A LYS 82.A NZ ASN 86.A OD1 no hydrogen 2.899 N/A ILE 83.A N ARG 79.A O no hydrogen 3.116 N/A LEU 84.A N GLU 80.A O no hydrogen 3.172 N/A GLU 85.A N ILE 81.A O no hydrogen 3.101 N/A ASN 86.A N LYS 82.A O no hydrogen 3.154 N/A ASN 86.A ND2 TYR 22.A O no hydrogen 3.105 N/A LEU 87.A N ILE 83.A O no hydrogen 3.046 N/A ARG 88.A N GLU 85.A O no hydrogen 3.301 N/A ARG 88.A NH1 LEU 96.A O no hydrogen 3.367 N/A GLY 90.A N LEU 87.A O no hydrogen 3.138 N/A ASN 92.A ND2 GLU 138.A O no hydrogen 3.070 N/A ASN 92.A ND2 GLU 138.A OE1 no hydrogen 2.704 N/A ILE 93.A N GLY 90.A O no hydrogen 3.348 N/A ILE 94.A N LEU 172.A O no hydrogen 3.295 N/A THR 95.A N GLU 113.A OE2 no hydrogen 3.363 N/A THR 95.A OG1 GLU 113.A OE2 no hydrogen 3.507 N/A ALA 97.A N VAL 111.A O no hydrogen 2.732 N/A ASP 98.A N VAL 111.A O no hydrogen 3.256 N/A VAL 100.A N ALA 109.A O no hydrogen 3.042 N/A ASP 102.A N THR 107.A O no hydrogen 3.222 N/A VAL 104.A N ASP 102.A OD2 no hydrogen 3.209 N/A SER 105.A N ASP 102.A OD2 no hydrogen 3.086 N/A SER 105.A OG ASP 102.A OD2 no hydrogen 3.444 N/A SER 105.A OG THR 107.A OG1 no hydrogen 2.874 N/A ARG 106.A N ASP 102.A O no hydrogen 2.895 N/A THR 107.A OG1 LEU 69.A O no hydrogen 2.667 N/A THR 107.A OG1 SER 105.A OG no hydrogen 2.874 N/A ALA 109.A N VAL 100.A O no hydrogen 2.743 N/A LEU 110.A N LYS 67.A O no hydrogen 2.804 N/A VAL 111.A N ASP 98.A O no hydrogen 3.004 N/A PHE 112.A N VAL 65.A O no hydrogen 2.802 N/A GLU 113.A N THR 95.A O no hydrogen 3.281 N/A ASN 117.A N VAL 115.A O no hydrogen 2.820 N/A THR 118.A N ILE 163.A O no hydrogen 3.284 N/A THR 118.A OG1 ILE 163.A O no hydrogen 3.418 N/A LYS 121.A N ASP 119.A OD1 no hydrogen 3.383 N/A TYR 124.A N PHE 120.A O no hydrogen 3.261 N/A GLN 125.A NE2 LYS 121.A O no hydrogen 2.851 N/A THR 126.A N LEU 123.A O no hydrogen 3.325 N/A THR 126.A OG1 GLN 122.A O no hydrogen 2.702 N/A THR 128.A N ASP 131.A OD2 no hydrogen 3.474 N/A ILE 132.A N THR 128.A O no hydrogen 3.113 N/A ARG 133.A N ASP 129.A O no hydrogen 3.392 N/A ARG 133.A NE ASP 129.A OD1 no hydrogen 3.040 N/A ARG 133.A NH1 TYR 322.A O no hydrogen 2.862 N/A ARG 133.A NH2 ASP 129.A OD1 no hydrogen 3.565 N/A ARG 133.A NH2 ASP 129.A OD2 no hydrogen 3.039 N/A ARG 133.A NH2 GLU 295.A OE2 no hydrogen 3.424 N/A PHE 134.A N TYR 130.A O no hydrogen 2.860 N/A TYR 135.A N ASP 131.A O no hydrogen 2.950 N/A TYR 135.A OH HIS 165.A ND1 no hydrogen 2.845 N/A MET 136.A N ILE 132.A O no hydrogen 3.061 N/A TYR 137.A N ARG 133.A O no hydrogen 3.002 N/A GLU 138.A N PHE 134.A O no hydrogen 3.098 N/A ILE 139.A N TYR 135.A O no hydrogen 2.860 N/A LEU 140.A N MET 136.A O no hydrogen 3.019 N/A LYS 141.A N TYR 137.A O no hydrogen 3.007 N/A LYS 141.A NZ GLU 138.A OE2 no hydrogen 2.786 N/A LEU 143.A N ILE 139.A O no hydrogen 2.950 N/A ASP 144.A N LEU 140.A O no hydrogen 2.893 N/A TYR 145.A N LYS 141.A O no hydrogen 3.189 N/A CYS 146.A N ALA 142.A O no hydrogen 3.139 N/A CYS 146.A SG LEU 143.A O no hydrogen 3.568 N/A CYS 146.A SG HIS 147.A ND1 no hydrogen 3.752 N/A CYS 146.A SG ILE 151.A O no hydrogen 3.189 N/A HIS 147.A N LEU 143.A O no hydrogen 2.952 N/A SER 148.A N ASP 144.A O no hydrogen 2.899 N/A SER 148.A OG ASP 144.A O no hydrogen 3.223 N/A SER 148.A OG TYR 145.A O no hydrogen 2.721 N/A MET 149.A N TYR 145.A O no hydrogen 2.932 N/A MET 149.A N CYS 146.A O no hydrogen 3.122 N/A GLY 150.A N HIS 147.A O no hydrogen 2.927 N/A ILE 151.A N CYS 146.A O no hydrogen 2.929 N/A MET 152.A N GLU 179.A O no hydrogen 3.019 N/A HIS 153.A N ASP 213.A OD2 no hydrogen 2.814 N/A HIS 153.A NE2 ILE 173.A O no hydrogen 3.160 N/A ARG 154.A N ASP 213.A OD1 no hydrogen 2.833 N/A ARG 154.A NE LEU 177.A O no hydrogen 2.947 N/A ARG 154.A NH1 TYR 208.A OH no hydrogen 2.941 N/A ARG 154.A NH2 LEU 177.A O no hydrogen 2.896 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.309 N/A LYS 157.A NZ ASP 155.A OD1 no hydrogen 3.305 N/A LYS 157.A NZ ASP 155.A OD2 no hydrogen 3.168 N/A LYS 157.A NZ SER 193.A OG no hydrogen 3.059 N/A ASN 160.A N LYS 157.A O no hydrogen 3.031 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.581 N/A VAL 161.A N PRO 158.A O no hydrogen 3.321 N/A MET 162.A N ARG 171.A O no hydrogen 2.974 N/A ILE 163.A N ASN 117.A OD1 no hydrogen 3.226 N/A ASP 164.A N LYS 169.A O no hydrogen 2.765 N/A HIS 165.A ND1 TYR 135.A OH no hydrogen 2.845 N/A LYS 169.A N ASP 164.A O no hydrogen 3.061 N/A ARG 171.A N MET 162.A O no hydrogen 2.849 N/A ARG 171.A NE GLU 113.A OE2 no hydrogen 3.177 N/A ARG 171.A NH1 LEU 170.A O no hydrogen 2.718 N/A LEU 172.A N ASN 92.A O no hydrogen 2.800 N/A ILE 173.A N ASN 160.A O no hydrogen 2.948 N/A TRP 175.A NE1 LEU 172.A O no hydrogen 3.139 N/A ALA 178.A N TRP 175.A O no hydrogen 3.322 N/A GLU 179.A N MET 152.A O no hydrogen 3.100 N/A PHE 180.A N GLU 179.A OE2 no hydrogen 2.939 N/A TYR 181.A N GLY 150.A O no hydrogen 3.072 N/A HIS 182.A N TYR 187.A OH no hydrogen 2.822 N/A GLN 185.A N HIS 182.A O no hydrogen 3.187 N/A TYR 187.A N GLN 206.A O no hydrogen 2.898 N/A TYR 187.A OH PHE 180.A O no hydrogen 2.615 N/A ARG 194.A NH1 GLY 234.A O no hydrogen 2.891 N/A PHE 196.A N SER 193.A O no hydrogen 3.065 N/A LYS 197.A N ARG 194.A O no hydrogen 3.258 N/A LYS 197.A NZ VAL 191.A O no hydrogen 2.985 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.934 N/A LEU 202.A N GLY 198.A O no hydrogen 3.352 N/A VAL 203.A N PRO 199.A O no hydrogen 2.870 N/A ASP 204.A N LEU 201.A O no hydrogen 3.344 N/A TYR 205.A N GLU 200.A O no hydrogen 2.871 N/A TYR 205.A OH VAL 4.A O no hydrogen 2.660 N/A GLN 206.A NE2 TYR 187.A O no hydrogen 3.159 N/A TYR 208.A OH ASN 188.A O no hydrogen 2.919 N/A TYR 210.A OH TYR 11.A O no hydrogen 2.811 N/A SER 211.A N ASP 209.A OD2 no hydrogen 2.828 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 2.582 N/A SER 211.A OG HIS 308.A O no hydrogen 3.369 N/A LEU 212.A N ASP 209.A O no hydrogen 2.980 N/A ASP 213.A N TYR 210.A O no hydrogen 2.948 N/A MET 214.A N SER 211.A O no hydrogen 3.045 N/A TRP 215.A N SER 211.A O no hydrogen 3.277 N/A SER 216.A N LEU 212.A O no hydrogen 3.334 N/A SER 216.A OG PHE 196.A O no hydrogen 2.901 N/A SER 216.A OG LEU 212.A O no hydrogen 3.438 N/A LEU 217.A N ASP 213.A O no hydrogen 3.006 N/A GLY 218.A N MET 214.A O no hydrogen 2.982 N/A CYS 219.A N TRP 215.A O no hydrogen 3.043 N/A CYS 219.A SG TYR 195.A O no hydrogen 3.828 N/A CYS 219.A SG TRP 215.A O no hydrogen 3.436 N/A MET 220.A N SER 216.A O no hydrogen 3.044 N/A LEU 221.A N LEU 217.A O no hydrogen 3.042 N/A ALA 222.A N GLY 218.A O no hydrogen 3.026 N/A SER 223.A N CYS 219.A O no hydrogen 3.229 N/A SER 223.A OG CYS 219.A O no hydrogen 3.487 N/A SER 223.A OG MET 220.A O no hydrogen 2.756 N/A MET 224.A N MET 220.A O no hydrogen 3.190 N/A ILE 225.A N LEU 221.A O no hydrogen 3.054 N/A PHE 226.A N ALA 222.A O no hydrogen 3.071 N/A ARG 227.A NH1 GLU 287.A OE2 no hydrogen 3.054 N/A LYS 228.A N SER 223.A O no hydrogen 3.225 N/A LYS 228.A NZ PRO 230.A O no hydrogen 3.107 N/A GLY 234.A N GLN 240.A OE1 no hydrogen 2.956 N/A HIS 235.A N ASP 239.A OD2 no hydrogen 3.144 N/A TYR 238.A N ASP 236.A OD1 no hydrogen 3.032 N/A ASP 239.A N ASP 236.A OD1 no hydrogen 3.029 N/A GLN 240.A N ASP 236.A O no hydrogen 2.997 N/A GLN 240.A NE2 PHE 232.A O no hydrogen 3.133 N/A ARG 243.A N ASP 239.A O no hydrogen 3.059 N/A ARG 243.A NE ASP 239.A OD2 no hydrogen 2.734 N/A ILE 244.A N GLN 240.A O no hydrogen 3.307 N/A ALA 245.A N LEU 241.A O no hydrogen 3.160 N/A LYS 246.A N VAL 242.A O no hydrogen 2.846 N/A VAL 247.A N ILE 244.A O no hydrogen 3.050 N/A LEU 248.A N ILE 244.A O no hydrogen 2.766 N/A GLY 249.A N ALA 245.A O no hydrogen 2.909 N/A THR 250.A N HIS 275.A O no hydrogen 3.152 N/A TYR 254.A N THR 250.A O no hydrogen 2.962 N/A ASP 255.A N GLU 251.A O no hydrogen 3.134 N/A TYR 256.A N ASP 252.A O no hydrogen 3.160 N/A TYR 256.A OH HIS 308.A ND1 no hydrogen 3.081 N/A ILE 257.A N LEU 253.A O no hydrogen 3.286 N/A ASP 258.A N TYR 254.A O no hydrogen 2.989 N/A LYS 259.A N ASP 255.A O no hydrogen 3.072 N/A LYS 259.A NZ ASP 307.A OD1 no hydrogen 3.559 N/A LYS 259.A NZ ASP 307.A OD2 no hydrogen 3.134 N/A TYR 260.A N TYR 256.A O no hydrogen 3.391 N/A TYR 260.A OH ASP 307.A OD1 no hydrogen 2.682 N/A ASN 261.A N ASP 258.A O no hydrogen 3.058 N/A ILE 262.A N ILE 257.A O no hydrogen 2.860 N/A ARG 267.A N ASP 265.A OD1 no hydrogen 3.150 N/A PHE 268.A N ASP 265.A O no hydrogen 2.999 N/A ASN 269.A N PRO 266.A O no hydrogen 2.980 N/A ASP 270.A N ARG 267.A O no hydrogen 3.441 N/A ILE 271.A N PHE 268.A O no hydrogen 3.150 N/A LEU 272.A N PHE 268.A O no hydrogen 3.019 N/A HIS 275.A N THR 250.A OG1 no hydrogen 3.130 N/A LYS 278.A N VAL 247.A O no hydrogen 2.943 N/A LYS 278.A NZ LYS 246.A O no hydrogen 2.405 N/A LYS 278.A NZ SER 276.A O no hydrogen 2.559 N/A GLU 281.A N GLU 281.A OE2 no hydrogen 2.963 N/A ARG 282.A N ARG 279.A O no hydrogen 3.208 N/A PHE 283.A N TRP 280.A O no hydrogen 3.241 N/A VAL 284.A N GLU 281.A O no hydrogen 3.288 N/A HIS 285.A N ASN 288.A OD1 no hydrogen 3.127 N/A GLU 287.A N HIS 285.A ND1 no hydrogen 3.304 N/A ASN 288.A N HIS 285.A O no hydrogen 3.260 N/A ASN 288.A ND2 PHE 226.A O no hydrogen 2.746 N/A ASN 288.A ND2 PHE 283.A O no hydrogen 3.127 N/A GLN 289.A NE2 HIS 285.A O no hydrogen 3.474 N/A LEU 291.A N ASN 288.A O no hydrogen 3.052 N/A VAL 292.A N GLN 289.A O no hydrogen 3.367 N/A ALA 296.A N SER 293.A OG no hydrogen 3.430 N/A LEU 297.A N SER 293.A O no hydrogen 3.129 N/A ASP 298.A N PRO 294.A O no hydrogen 2.957 N/A PHE 299.A N GLU 295.A O no hydrogen 3.162 N/A LEU 300.A N ALA 296.A O no hydrogen 2.985 N/A ASP 301.A N LEU 297.A O no hydrogen 2.877 N/A LYS 302.A N ASP 298.A O no hydrogen 3.193 N/A LYS 302.A N PHE 299.A O no hydrogen 3.098 N/A LYS 302.A NZ ASP 298.A OD2 no hydrogen 2.574 N/A LEU 303.A N LEU 300.A O no hydrogen 3.033 N/A LEU 304.A N LEU 300.A O no hydrogen 3.037 N/A TYR 306.A OH GLY 249.A O no hydrogen 2.786 N/A HIS 308.A ND1 TYR 256.A OH no hydrogen 3.081 N/A HIS 308.A NE2 SER 6.A OG no hydrogen 3.235 N/A GLN 309.A N ASP 307.A OD1 no hydrogen 3.226 N/A GLN 309.A NE2 SER 6.A OG no hydrogen 2.949 N/A SER 310.A N ASP 307.A O no hydrogen 3.127 N/A SER 310.A OG ASP 307.A O no hydrogen 3.024 N/A ARG 311.A NE ARG 305.A O no hydrogen 2.946 N/A ARG 311.A NH1 GLU 200.A OE1 no hydrogen 3.388 N/A ARG 311.A NH1 GLU 200.A OE2 no hydrogen 3.099 N/A ARG 311.A NH1 SER 211.A O no hydrogen 3.187 N/A ARG 311.A NH2 GLU 200.A OE1 no hydrogen 2.920 N/A ARG 311.A NH2 ARG 305.A O no hydrogen 3.257 N/A ARG 311.A NH2 TYR 306.A O no hydrogen 3.112 N/A LEU 312.A N LYS 302.A O no hydrogen 3.192 N/A THR 313.A N GLU 316.A OE1 no hydrogen 3.170 N/A THR 313.A OG1 GLU 316.A OE1 no hydrogen 2.977 N/A GLU 316.A N THR 313.A OG1 no hydrogen 3.418 N/A ALA 317.A N THR 313.A O no hydrogen 3.073 N/A MET 318.A N ALA 314.A O no hydrogen 3.158 N/A GLU 319.A N GLU 316.A O no hydrogen 3.207 N/A HIS 320.A N ALA 317.A O no hydrogen 3.093 N/A TYR 322.A N HIS 320.A ND1 no hydrogen 3.474 N/A PHE 323.A N HIS 320.A O no hydrogen 2.954 N/A TYR 324.A N PRO 321.A O no hydrogen 3.171 N/A VAL 326.A N PHE 323.A O no hydrogen 3.254 N/A VAL 327.A N TYR 130.A OH no hydrogen 3.397 N/A LYS 328.A NZ PHE 323.A O no hydrogen 2.879 N/A LYS 328.A NZ VAL 326.A O no hydrogen 3.296 N/A