Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jwh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N TYR 260.A O no hydrogen 2.937 N/A SER 6.A OG HIS 308.A NE2 no hydrogen 2.966 N/A ALA 8.A N TYR 181.A OH no hydrogen 3.000 N/A ARG 9.A NH1 ARG 311.A O no hydrogen 2.578 N/A TYR 11.A OH ASP 144.A OD1 no hydrogen 2.428 N/A VAL 14.A N TYR 11.A O no hydrogen 3.153 N/A ASN 15.A ND2 GLY 150.A O no hydrogen 2.830 N/A ASN 15.A ND2 TYR 181.A O no hydrogen 2.917 N/A THR 16.A OG1 ASP 13.A OD1 no hydrogen 2.996 N/A ARG 18.A N ASN 15.A O no hydrogen 2.842 N/A TYR 22.A OH MET 149.A O no hydrogen 2.267 N/A ASP 24.A N ARG 20.A O no hydrogen 2.925 N/A SER 27.A OG ASP 24.A O no hydrogen 3.296 N/A SER 27.A OG ASP 24.A OD2 no hydrogen 2.442 N/A GLY 33.A N ILE 99.A O no hydrogen 2.543 N/A ASP 37.A N ASN 34.A O no hydrogen 2.662 N/A TYR 38.A N GLN 35.A O no hydrogen 3.100 N/A GLN 39.A N ILE 56.A O no hydrogen 3.038 N/A ARG 42.A N GLU 54.A O no hydrogen 3.140 N/A GLU 51.A N ILE 68.A O no hydrogen 3.288 N/A VAL 52.A N GLY 45.A O no hydrogen 3.190 N/A PHE 53.A N VAL 66.A O no hydrogen 2.875 N/A GLU 54.A N ARG 42.A O no hydrogen 2.868 N/A ALA 55.A N VAL 64.A O no hydrogen 2.762 N/A ASN 57.A N GLU 62.A O no hydrogen 3.324 N/A THR 59.A N ASN 57.A OD1 no hydrogen 3.238 N/A THR 59.A OG1 ASP 37.A O no hydrogen 3.415 N/A THR 59.A OG1 ASP 37.A OD1 no hydrogen 2.827 N/A THR 59.A OG1 ASN 57.A OD1 no hydrogen 2.795 N/A ASN 61.A N ASN 57.A O no hydrogen 2.822 N/A GLU 62.A N ASN 60.A OD1 no hydrogen 2.716 N/A VAL 66.A N PHE 53.A O no hydrogen 3.028 N/A LYS 67.A N LEU 110.A O no hydrogen 3.118 N/A LYS 67.A NZ GLU 80.A OE2 no hydrogen 2.506 N/A ILE 68.A N GLU 51.A O no hydrogen 2.819 N/A LYS 70.A N TYR 49.A O no hydrogen 2.584 N/A LYS 70.A NZ GLU 51.A OE2 no hydrogen 3.499 N/A LYS 78.A N LYS 74.A O no hydrogen 3.154 N/A LYS 78.A NZ GLU 26.A O no hydrogen 3.523 N/A ARG 79.A N LYS 75.A O no hydrogen 3.045 N/A ILE 81.A N LYS 78.A O no hydrogen 2.965 N/A LYS 82.A N LYS 78.A O no hydrogen 2.897 N/A LEU 84.A N GLU 80.A O no hydrogen 3.343 N/A GLU 85.A N ILE 81.A O no hydrogen 2.776 N/A ASN 86.A N LYS 82.A O no hydrogen 3.109 N/A ASN 86.A ND2 TYR 22.A O no hydrogen 3.428 N/A LEU 87.A N ILE 83.A O no hydrogen 3.158 N/A ARG 88.A N LEU 84.A O no hydrogen 2.940 N/A ARG 88.A NH1 LEU 96.A O no hydrogen 3.231 N/A ILE 93.A N GLY 90.A O no hydrogen 3.231 N/A THR 95.A N GLU 113.A OE2 no hydrogen 2.953 N/A THR 95.A OG1 GLU 113.A OE2 no hydrogen 2.524 N/A ASP 98.A N VAL 111.A O no hydrogen 3.053 N/A VAL 100.A N ALA 109.A O no hydrogen 3.116 N/A ASP 102.A N THR 107.A O no hydrogen 2.572 N/A VAL 104.A N ASP 102.A OD1 no hydrogen 3.065 N/A SER 105.A OG ASP 102.A OD2 no hydrogen 3.109 N/A ARG 106.A N ASP 102.A O no hydrogen 2.467 N/A ALA 109.A N VAL 100.A O no hydrogen 3.220 N/A LEU 110.A N LYS 67.A O no hydrogen 2.695 N/A PHE 112.A N VAL 65.A O no hydrogen 3.305 N/A ASN 116.A N ASP 164.A OD2 no hydrogen 2.646 N/A ASN 117.A N VAL 115.A O no hydrogen 2.818 N/A GLN 122.A N ASP 119.A O no hydrogen 2.750 N/A LEU 123.A N ASP 119.A O no hydrogen 3.045 N/A TYR 124.A N PHE 120.A O no hydrogen 2.991 N/A THR 126.A N LEU 123.A O no hydrogen 2.668 N/A THR 126.A OG1 LEU 123.A O no hydrogen 2.810 N/A LEU 127.A N TYR 124.A O no hydrogen 2.960 N/A THR 128.A N ASP 131.A OD2 no hydrogen 2.320 N/A TYR 130.A OH ASP 329.A OD2 no hydrogen 2.737 N/A ILE 132.A N THR 128.A O no hydrogen 3.436 N/A ARG 133.A N ASP 129.A O no hydrogen 3.057 N/A ARG 133.A NE ASP 129.A OD1 no hydrogen 3.132 N/A ARG 133.A NE ASP 129.A OD2 no hydrogen 2.885 N/A ARG 133.A NH1 GLU 295.A OE2 no hydrogen 3.516 N/A ARG 133.A NH1 TYR 322.A O no hydrogen 2.735 N/A ARG 133.A NH2 ASP 129.A OD1 no hydrogen 3.433 N/A ARG 133.A NH2 ASP 129.A OD2 no hydrogen 2.807 N/A ARG 133.A NH2 GLU 295.A OE2 no hydrogen 3.294 N/A PHE 134.A N TYR 130.A O no hydrogen 2.459 N/A TYR 135.A N ASP 131.A O no hydrogen 2.655 N/A TYR 135.A OH HIS 165.A ND1 no hydrogen 3.210 N/A MET 136.A N ILE 132.A O no hydrogen 2.545 N/A TYR 137.A N ARG 133.A O no hydrogen 2.886 N/A TYR 137.A N PHE 134.A O no hydrogen 3.051 N/A GLU 138.A N PHE 134.A O no hydrogen 3.123 N/A ILE 139.A N TYR 135.A O no hydrogen 2.966 N/A LEU 140.A N MET 136.A O no hydrogen 3.345 N/A LYS 141.A N TYR 137.A O no hydrogen 3.036 N/A LYS 141.A NZ GLU 138.A OE1 no hydrogen 3.499 N/A LYS 141.A NZ GLU 138.A OE2 no hydrogen 3.129 N/A ALA 142.A N GLU 138.A O no hydrogen 3.317 N/A LEU 143.A N ILE 139.A O no hydrogen 3.028 N/A ASP 144.A N LEU 140.A O no hydrogen 2.619 N/A TYR 145.A N LYS 141.A O no hydrogen 2.992 N/A TYR 145.A OH ASN 86.A O no hydrogen 3.417 N/A CYS 146.A N ALA 142.A O no hydrogen 2.818 N/A CYS 146.A SG ALA 142.A O no hydrogen 3.716 N/A CYS 146.A SG LEU 143.A O no hydrogen 2.986 N/A CYS 146.A SG HIS 147.A ND1 no hydrogen 3.722 N/A CYS 146.A SG ILE 151.A O no hydrogen 3.511 N/A HIS 147.A N LEU 143.A O no hydrogen 2.714 N/A HIS 147.A ND1 ILE 151.A O no hydrogen 3.161 N/A SER 148.A N ASP 144.A O no hydrogen 2.646 N/A SER 148.A OG ASP 144.A O no hydrogen 2.484 N/A MET 149.A N TYR 145.A O no hydrogen 2.981 N/A GLY 150.A N HIS 147.A O no hydrogen 2.543 N/A ILE 151.A N CYS 146.A O no hydrogen 2.702 N/A MET 152.A N GLU 179.A O no hydrogen 2.986 N/A HIS 153.A N ASP 213.A OD1 no hydrogen 3.130 N/A HIS 153.A N ASP 213.A OD2 no hydrogen 2.988 N/A HIS 153.A NE2 ILE 173.A O no hydrogen 2.737 N/A ARG 154.A N ASP 213.A OD1 no hydrogen 3.133 N/A ARG 154.A NE LEU 177.A O no hydrogen 2.921 N/A ARG 154.A NH1 TYR 208.A OH no hydrogen 3.287 N/A ARG 154.A NH2 LEU 177.A O no hydrogen 3.099 N/A ASN 160.A N LYS 157.A O no hydrogen 2.477 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.535 N/A ASN 160.A ND2 ASP 155.A OD2 no hydrogen 2.836 N/A VAL 161.A N PRO 158.A O no hydrogen 3.124 N/A MET 162.A N ARG 171.A O no hydrogen 2.805 N/A ILE 163.A N ASN 117.A OD1 no hydrogen 3.526 N/A ASP 164.A N LYS 169.A O no hydrogen 2.793 N/A HIS 165.A ND1 TYR 135.A OH no hydrogen 3.210 N/A HIS 167.A N ASP 164.A OD1 no hydrogen 3.203 N/A ARG 168.A N HIS 165.A O no hydrogen 3.270 N/A LYS 169.A N ASP 164.A O no hydrogen 3.362 N/A LYS 169.A NZ ASP 164.A OD2 no hydrogen 3.302 N/A ARG 171.A N MET 162.A O no hydrogen 2.976 N/A ARG 171.A NE GLU 113.A OE2 no hydrogen 3.173 N/A ARG 171.A NH1 LEU 170.A O no hydrogen 2.874 N/A LEU 172.A N ASN 92.A O no hydrogen 3.247 N/A ILE 173.A N ASN 160.A O no hydrogen 2.876 N/A GLU 179.A N MET 152.A O no hydrogen 2.932 N/A TYR 181.A N GLY 150.A O no hydrogen 3.314 N/A HIS 182.A N TYR 187.A OH no hydrogen 2.659 N/A GLN 185.A N HIS 182.A O no hydrogen 3.015 N/A TYR 187.A N GLN 206.A O no hydrogen 2.634 N/A TYR 187.A OH PHE 180.A O no hydrogen 2.434 N/A ARG 194.A NE ASP 236.A O no hydrogen 2.955 N/A PHE 196.A N SER 193.A O no hydrogen 3.075 N/A LYS 197.A N ARG 194.A O no hydrogen 2.992 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.674 N/A LEU 201.A N GLY 198.A O no hydrogen 2.938 N/A LEU 202.A N GLY 198.A O no hydrogen 3.071 N/A TYR 205.A N GLU 200.A O no hydrogen 2.691 N/A TYR 205.A OH VAL 4.A O no hydrogen 2.666 N/A TYR 208.A OH ASN 188.A O no hydrogen 2.556 N/A TYR 210.A OH TYR 11.A O no hydrogen 3.168 N/A SER 211.A N ASP 209.A OD2 no hydrogen 3.307 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 3.430 N/A LEU 212.A N ASP 209.A O no hydrogen 2.717 N/A ASP 213.A N TYR 210.A O no hydrogen 2.788 N/A MET 214.A N SER 211.A O no hydrogen 3.188 N/A TRP 215.A N SER 211.A O no hydrogen 3.418 N/A SER 216.A N LEU 212.A O no hydrogen 3.327 N/A SER 216.A OG LEU 212.A O no hydrogen 3.329 N/A SER 216.A OG ASP 213.A O no hydrogen 2.664 N/A LEU 217.A N ASP 213.A O no hydrogen 3.064 N/A GLY 218.A N MET 214.A O no hydrogen 2.780 N/A CYS 219.A N TRP 215.A O no hydrogen 3.021 N/A CYS 219.A SG TRP 215.A O no hydrogen 3.826 N/A MET 220.A N SER 216.A O no hydrogen 3.263 N/A LEU 221.A N LEU 217.A O no hydrogen 3.084 N/A ALA 222.A N GLY 218.A O no hydrogen 3.082 N/A SER 223.A N CYS 219.A O no hydrogen 3.093 N/A SER 223.A OG CYS 219.A O no hydrogen 3.141 N/A SER 223.A OG MET 220.A O no hydrogen 2.180 N/A MET 224.A N MET 220.A O no hydrogen 2.886 N/A ILE 225.A N LEU 221.A O no hydrogen 2.873 N/A PHE 226.A N ALA 222.A O no hydrogen 2.895 N/A LYS 228.A N SER 223.A O no hydrogen 2.807 N/A LYS 228.A NZ PHE 231.A O no hydrogen 2.489 N/A HIS 235.A N ASP 239.A OD2 no hydrogen 3.164 N/A ASP 239.A N ASP 236.A OD1 no hydrogen 2.379 N/A GLN 240.A NE2 PHE 232.A O no hydrogen 2.653 N/A ARG 243.A N ASP 239.A O no hydrogen 3.243 N/A ARG 243.A NE HIS 233.A O no hydrogen 2.780 N/A ILE 244.A N GLN 240.A O no hydrogen 3.007 N/A ALA 245.A N LEU 241.A O no hydrogen 3.345 N/A LYS 246.A N VAL 242.A O no hydrogen 3.014 N/A LYS 246.A N ARG 243.A O no hydrogen 2.842 N/A VAL 247.A N ILE 244.A O no hydrogen 3.173 N/A LEU 248.A N ILE 244.A O no hydrogen 3.247 N/A GLY 249.A N ALA 245.A O no hydrogen 3.250 N/A THR 250.A N HIS 275.A O no hydrogen 2.933 N/A THR 250.A OG1 HIS 275.A O no hydrogen 3.246 N/A TYR 254.A N THR 250.A O no hydrogen 3.115 N/A ASP 255.A N GLU 251.A O no hydrogen 2.963 N/A TYR 256.A N ASP 252.A O no hydrogen 3.036 N/A TYR 256.A N LEU 253.A O no hydrogen 2.583 N/A TYR 256.A OH HIS 308.A ND1 no hydrogen 2.774 N/A ILE 257.A N LEU 253.A O no hydrogen 3.247 N/A ASP 258.A N TYR 254.A O no hydrogen 2.934 N/A LYS 259.A N ASP 255.A O no hydrogen 2.888 N/A LYS 259.A NZ ASP 307.A OD2 no hydrogen 3.033 N/A TYR 260.A N TYR 256.A O no hydrogen 3.043 N/A TYR 260.A N ILE 257.A O no hydrogen 2.937 N/A ASN 261.A N ASP 258.A O no hydrogen 2.863 N/A ARG 267.A N ASP 265.A OD1 no hydrogen 2.848 N/A PHE 268.A N ASP 265.A O no hydrogen 3.107 N/A ASP 270.A N ARG 267.A O no hydrogen 3.363 N/A ILE 271.A N PHE 268.A O no hydrogen 2.310 N/A LEU 272.A N PHE 268.A O no hydrogen 3.210 N/A HIS 275.A N THR 250.A OG1 no hydrogen 2.382 N/A LYS 278.A NZ SER 276.A O no hydrogen 3.388 N/A LYS 278.A NZ SER 276.A OG no hydrogen 2.765 N/A TRP 280.A NE1 ASP 301.A OD1 no hydrogen 2.889 N/A ARG 282.A N ARG 279.A O no hydrogen 2.908 N/A ARG 282.A NH1 LYS 246.A O no hydrogen 3.565 N/A PHE 283.A N TRP 280.A O no hydrogen 2.907 N/A ASN 288.A N HIS 285.A O no hydrogen 3.052 N/A ASN 288.A ND2 PHE 226.A O no hydrogen 2.655 N/A ASN 288.A ND2 PHE 283.A O no hydrogen 2.717 N/A GLN 289.A NE2 SER 286.A O no hydrogen 3.400 N/A LEU 291.A N ASN 288.A O no hydrogen 2.905 N/A ALA 296.A N SER 293.A OG no hydrogen 2.805 N/A LEU 297.A N SER 293.A O no hydrogen 3.003 N/A ASP 298.A N PRO 294.A O no hydrogen 2.795 N/A PHE 299.A N GLU 295.A O no hydrogen 2.630 N/A LEU 300.A N ALA 296.A O no hydrogen 3.005 N/A ASP 301.A N LEU 297.A O no hydrogen 2.961 N/A LYS 302.A N PHE 299.A O no hydrogen 3.177 N/A LEU 303.A N LEU 300.A O no hydrogen 2.641 N/A LEU 304.A N LEU 300.A O no hydrogen 3.242 N/A ARG 305.A N LEU 303.A O no hydrogen 2.868 N/A TYR 306.A OH GLY 249.A O no hydrogen 2.461 N/A HIS 308.A ND1 TYR 256.A OH no hydrogen 2.774 N/A HIS 308.A NE2 SER 6.A OG no hydrogen 2.966 N/A GLN 309.A N ASP 307.A OD1 no hydrogen 2.311 N/A SER 310.A N ASP 307.A O no hydrogen 3.216 N/A SER 310.A N ASP 307.A OD1 no hydrogen 2.863 N/A SER 310.A OG ASP 307.A O no hydrogen 2.589 N/A ARG 311.A NE ARG 305.A O no hydrogen 3.473 N/A ARG 311.A NH1 GLU 200.A OE2 no hydrogen 3.374 N/A ARG 311.A NH1 SER 211.A O no hydrogen 2.693 N/A ARG 311.A NH2 GLU 200.A OE1 no hydrogen 2.673 N/A ARG 311.A NH2 TYR 306.A O no hydrogen 3.563 N/A LEU 312.A N LYS 302.A O no hydrogen 3.032 N/A THR 313.A N GLU 316.A OE1 no hydrogen 2.896 N/A ARG 315.A NE TYR 11.A OH no hydrogen 2.352 N/A ALA 317.A N THR 313.A O no hydrogen 2.687 N/A MET 318.A N ALA 314.A O no hydrogen 3.045 N/A GLU 319.A N GLU 316.A O no hydrogen 2.838 N/A HIS 320.A N ALA 317.A O no hydrogen 2.724 N/A HIS 320.A NE2 ASP 298.A OD2 no hydrogen 2.584 N/A TYR 322.A N HIS 320.A ND1 no hydrogen 3.018 N/A VAL 327.A N PHE 323.A O no hydrogen 2.792 N/A LYS 328.A N TYR 324.A O no hydrogen 2.982 N/A GLN 330.A N VAL 326.A O no hydrogen 3.227 N/A GLN 330.A NE2 GLU 138.A OE2 no hydrogen 2.727 N/A ARG 332.A N LYS 328.A O no hydrogen 3.119 N/A SER 335.A OG ALA 331.A O no hydrogen 2.937 N/A SER 335.A OG MET 333.A O no hydrogen 3.264 N/A SER 335.A OG SER 335.A O no hydrogen 2.555 N/A