Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N TYR 189.A O no hydrogen 3.477 N/A LYS 7.A N THR 14.A O no hydrogen 3.039 N/A SER 9.A N VAL 12.A O no hydrogen 2.748 N/A THR 13.A N TYR 31.A O no hydrogen 2.819 N/A THR 14.A N LYS 7.A O no hydrogen 3.100 N/A THR 14.A OG1 SER 30.A OG no hydrogen 2.758 N/A VAL 15.A N VAL 29.A O no hydrogen 2.861 N/A ALA 17.A N GLN 27.A O no hydrogen 3.085 N/A THR 18.A N PHE 90.A O no hydrogen 2.765 N/A GLY 20.A N ARG 88.A O no hydrogen 3.022 N/A ARG 25.A NH1 ASP 24.A O no hydrogen 2.925 N/A GLN 27.A N ALA 17.A O no hydrogen 3.050 N/A VAL 29.A N VAL 15.A O no hydrogen 2.708 N/A SER 30.A OG THR 14.A OG1 no hydrogen 2.758 N/A TYR 31.A N THR 13.A O no hydrogen 2.817 N/A THR 32.A N LYS 49.A O no hydrogen 2.825 N/A THR 32.A OG1 LYS 11.A O no hydrogen 3.283 N/A LYS 35.A N GLN 47.A O no hydrogen 3.102 N/A LYS 35.A NZ GLN 47.A OE1 no hydrogen 2.978 N/A ILE 37.A N.A VAL 45.A O.A no hydrogen 3.019 N/A ILE 37.A N.A VAL 45.A O.B no hydrogen 2.953 N/A ILE 37.A N.B VAL 45.A O.A no hydrogen 2.994 N/A ILE 37.A N.B VAL 45.A O.B no hydrogen 2.930 N/A GLY 38.A N.A VAL 45.A O.A no hydrogen 3.498 N/A GLY 38.A N.A VAL 45.A O.B no hydrogen 3.353 N/A GLY 40.A N.A GLY 43.A O.A no hydrogen 3.270 N/A GLY 40.A N.B GLY 43.A O.B no hydrogen 2.885 N/A VAL 44.A N.A LYS 61.A O no hydrogen 3.202 N/A VAL 44.A N.B LYS 61.A O no hydrogen 3.180 N/A VAL 45.A N.A GLY 38.A O.A no hydrogen 2.885 N/A VAL 45.A N.A GLY 38.A O.B no hydrogen 2.570 N/A VAL 45.A N.B GLY 38.A O.A no hydrogen 3.021 N/A VAL 45.A N.B GLY 38.A O.B no hydrogen 2.558 N/A TYR 46.A N ILE 59.A O no hydrogen 2.827 N/A GLN 47.A N LYS 35.A O no hydrogen 2.703 N/A ALA 48.A N VAL 57.A O no hydrogen 2.916 N/A LYS 49.A N THR 32.A O no hydrogen 2.775 N/A LYS 49.A NZ ASP 33.A OD2 no hydrogen 3.457 N/A LEU 50.A N GLU 55.A O no hydrogen 3.062 N/A CYS 51.A N SER 30.A O no hydrogen 3.008 N/A GLY 54.A N LEU 50.A O no hydrogen 2.874 N/A GLU 55.A N SER 53.A OG no hydrogen 3.285 N/A VAL 57.A N ALA 48.A O no hydrogen 2.770 N/A ALA 58.A N LEU 105.A O no hydrogen 2.862 N/A ILE 59.A N TYR 46.A O no hydrogen 2.664 N/A LYS 60.A N LEU 103.A O no hydrogen 2.753 N/A LYS 60.A NZ GLU 72.A OE2 no hydrogen 2.793 N/A LYS 61.A N VAL 44.A O.A no hydrogen 2.855 N/A LYS 61.A N VAL 44.A O.B no hydrogen 2.747 N/A VAL 62.A N LEU 101.A O no hydrogen 2.829 N/A LEU 63.A N PHE 42.A O.B no hydrogen 3.116 N/A GLN 64.A N VAL 99.A O no hydrogen 2.781 N/A ASP 65.A N LEU 63.A O no hydrogen 3.107 N/A LYS 66.A NZ.B GLN 64.A O no hydrogen 3.289 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 3.346 N/A ILE 75.A N ARG 71.A O no hydrogen 2.731 N/A MET 76.A N GLU 72.A O no hydrogen 3.141 N/A ARG 77.A N LEU 73.A O no hydrogen 3.230 N/A ARG 77.A NE GLY 20.A O no hydrogen 3.451 N/A ARG 77.A NH1 ASP 24.A OD1 no hydrogen 3.366 N/A ARG 77.A NH2 ASP 24.A OD1 no hydrogen 2.777 N/A LYS 78.A N ILE 75.A O no hydrogen 3.031 N/A LEU 79.A N MET 76.A O no hydrogen 3.000 N/A ASP 80.A N TYR 144.A OH no hydrogen 2.922 N/A HIS 81.A NE2 GLU 339.A OE2 no hydrogen 3.006 N/A CYS 82.A SG ASN 83.A OD1 no hydrogen 3.659 N/A ASN 83.A N HIS 81.A ND1 no hydrogen 2.939 N/A ASN 83.A ND2 GLN 137.A OE1 no hydrogen 2.950 N/A ASN 83.A ND2 LEU 169.A O no hydrogen 2.979 N/A ILE 84.A N HIS 81.A O no hydrogen 3.095 N/A VAL 85.A N LEU 171.A O no hydrogen 2.970 N/A ARG 86.A NE ASP 106.A OD1 no hydrogen 3.461 N/A ARG 86.A NH2 ASP 106.A OD1 no hydrogen 3.048 N/A ARG 88.A N VAL 104.A O no hydrogen 2.757 N/A ARG 88.A NE ASP 106.A OD1 no hydrogen 2.386 N/A ARG 88.A NH1 GLU 55.A OE1 no hydrogen 3.131 N/A ARG 88.A NH2 GLU 55.A OE1 no hydrogen 2.513 N/A TYR 89.A N VAL 104.A O no hydrogen 3.307 N/A PHE 90.A N THR 18.A O no hydrogen 2.676 N/A PHE 91.A N ASN 102.A O no hydrogen 3.070 N/A SER 93.A N TYR 100.A O no hydrogen 3.032 N/A TYR 100.A N SER 93.A O no hydrogen 2.819 N/A TYR 100.A OH GLU 98.A OE2 no hydrogen 3.244 N/A LEU 101.A N VAL 62.A O no hydrogen 2.752 N/A ASN 102.A N PHE 91.A O no hydrogen 2.778 N/A ASN 102.A ND2 PHE 91.A O no hydrogen 3.248 N/A ASN 102.A ND2 SER 93.A OG no hydrogen 2.928 N/A LEU 103.A N LYS 60.A O no hydrogen 2.708 N/A VAL 104.A N TYR 89.A O no hydrogen 2.753 N/A LEU 105.A N ALA 58.A O no hydrogen 2.575 N/A ASP 106.A N ARG 86.A O no hydrogen 3.221 N/A GLU 110.A N LEU 162.A O no hydrogen 2.970 N/A VAL 112.A N LEU 160.A O no hydrogen 2.735 N/A TYR 113.A N PRO 157.A O no hydrogen 3.064 N/A ARG 114.A N THR 111.A OG1 no hydrogen 3.087 N/A VAL 115.A N THR 111.A O no hydrogen 3.068 N/A ALA 116.A N VAL 112.A O no hydrogen 2.878 N/A ARG 117.A N TYR 113.A O no hydrogen 2.825 N/A HIS 118.A N ARG 114.A O no hydrogen 3.177 N/A TYR 119.A N VAL 115.A O no hydrogen 3.386 N/A SER 120.A N ALA 116.A O no hydrogen 3.002 N/A SER 120.A OG.B ALA 116.A O no hydrogen 3.069 N/A SER 120.A OG.B GLY 226.A O no hydrogen 2.981 N/A ARG 121.A N ARG 117.A O no hydrogen 3.006 N/A ALA 122.A N HIS 118.A O no hydrogen 2.989 N/A LYS 123.A N SER 120.A O no hydrogen 3.382 N/A GLN 124.A N TYR 119.A O no hydrogen 2.761 N/A TYR 130.A N PRO 127.A O no hydrogen 2.916 N/A VAL 131.A N PRO 127.A O no hydrogen 3.179 N/A LYS 132.A N VAL 128.A O no hydrogen 2.637 N/A LYS 132.A NZ GLU 315.A OE1 no hydrogen 2.758 N/A LEU 133.A N ILE 129.A O no hydrogen 2.843 N/A TYR 134.A N TYR 130.A O no hydrogen 2.736 N/A MET 135.A N VAL 131.A O no hydrogen 3.030 N/A TYR 136.A N LYS 132.A O no hydrogen 2.921 N/A TYR 136.A OH LEU 332.A O no hydrogen 2.827 N/A GLN 137.A N LEU 133.A O no hydrogen 3.177 N/A GLN 137.A NE2 LEU 133.A O no hydrogen 3.320 N/A GLN 137.A NE2 ALA 167.A O no hydrogen 2.976 N/A LEU 138.A N TYR 134.A O no hydrogen 2.998 N/A PHE 139.A N MET 135.A O no hydrogen 2.963 N/A ARG 140.A N TYR 136.A O no hydrogen 3.136 N/A ARG 140.A NE GLU 339.A OE2 no hydrogen 3.183 N/A ARG 140.A NH1 ASN 334.A OD1 no hydrogen 2.709 N/A ARG 140.A NH2 ASN 334.A O no hydrogen 3.456 N/A ARG 140.A NH2 ASN 334.A OD1 no hydrogen 3.244 N/A ARG 140.A NH2 GLU 339.A OE1 no hydrogen 2.929 N/A ARG 140.A NH2 GLU 339.A OE2 no hydrogen 2.990 N/A SER 141.A N GLN 137.A O no hydrogen 3.112 N/A SER 141.A OG LEU 138.A O no hydrogen 2.506 N/A LEU 142.A N LEU 138.A O no hydrogen 3.047 N/A ALA 143.A N PHE 139.A O no hydrogen 2.880 N/A TYR 144.A N ARG 140.A O no hydrogen 3.061 N/A ILE 145.A N SER 141.A O no hydrogen 3.117 N/A HIS 146.A N LEU 142.A O no hydrogen 2.960 N/A HIS 146.A NE2 ASP 212.A OD2 no hydrogen 3.015 N/A SER 147.A N ALA 143.A O no hydrogen 3.232 N/A SER 147.A OG TYR 144.A O no hydrogen 2.337 N/A PHE 148.A N ILE 145.A O no hydrogen 3.253 N/A GLY 149.A N HIS 146.A O no hydrogen 2.761 N/A ILE 150.A N ILE 145.A O no hydrogen 2.859 N/A CYS 151.A N LYS 178.A O no hydrogen 2.682 N/A CYS 151.A SG THR 208.A O no hydrogen 4.044 N/A CYS 151.A SG ASP 212.A OD2 no hydrogen 3.268 N/A HIS 152.A N ASP 212.A OD2 no hydrogen 2.942 N/A HIS 152.A NE2 CYS 172.A O no hydrogen 2.789 N/A ARG 153.A N ASP 212.A OD1 no hydrogen 3.035 N/A ARG 153.A NE SER 176.A O no hydrogen 2.799 N/A ARG 153.A NH2 SER 176.A O no hydrogen 2.933 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.095 N/A LYS 156.A NZ SER 192.A OG no hydrogen 2.931 N/A GLN 158.A N GLN 158.A OE1 no hydrogen 2.588 N/A ASN 159.A N LYS 156.A O no hydrogen 2.873 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.772 N/A LEU 160.A N PRO 157.A O no hydrogen 3.374 N/A LEU 161.A N LYS 170.A O no hydrogen 2.917 N/A LEU 162.A N GLU 110.A O no hydrogen 2.463 N/A ASP 163.A N VAL 168.A O no hydrogen 2.938 N/A THR 166.A OG1 ASP 163.A O no hydrogen 3.528 N/A THR 166.A OG1 ASP 163.A OD2 no hydrogen 2.624 N/A VAL 168.A N ASP 163.A O no hydrogen 3.261 N/A LEU 169.A N GLN 137.A OE1 no hydrogen 3.027 N/A LYS 170.A N LEU 161.A O no hydrogen 2.894 N/A LYS 170.A NZ CYS 82.A O no hydrogen 2.929 N/A LEU 171.A N ASN 83.A O no hydrogen 2.720 N/A CYS 172.A N ASN 159.A O no hydrogen 3.106 N/A CYS 172.A SG ASN 159.A O no hydrogen 3.459 N/A GLY 175.A N ASP 173.A OD1 no hydrogen 3.332 N/A ALA 177.A N PHE 174.A O no hydrogen 3.261 N/A LYS 178.A N CYS 151.A O no hydrogen 2.912 N/A LYS 178.A NZ ASN 186.A OD1 no hydrogen 2.637 N/A LEU 180.A N GLY 149.A O no hydrogen 3.099 N/A GLU 184.A N VAL 181.A O no hydrogen 2.929 N/A ASN 186.A N THR 205.A O no hydrogen 2.936 N/A ASN 186.A ND2 THR 205.A O no hydrogen 3.161 N/A SER 188.A OG.A LEU 200.A O no hydrogen 3.372 N/A SER 188.A OG.B GLY 203.A O no hydrogen 2.851 N/A SER 188.A OG.B ALA 204.A O no hydrogen 3.510 N/A ILE 190.A N SER 188.A O no hydrogen 2.584 N/A CYS 191.A SG.A ARG 153.A O no hydrogen 3.063 N/A CYS 191.A SG.B SER 192.A O no hydrogen 3.676 N/A CYS 191.A SG.B TYR 195.A O no hydrogen 3.424 N/A CYS 191.A SG.B SER 215.A OG no hydrogen 3.635 N/A SER 192.A OG ASP 154.A OD1 no hydrogen 2.719 N/A TYR 195.A N SER 192.A O no hydrogen 3.376 N/A TYR 195.A OH GLU 222.A OE1 no hydrogen 2.577 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.758 N/A ILE 201.A N ALA 197.A O no hydrogen 3.118 N/A PHE 202.A N PRO 198.A O no hydrogen 2.988 N/A GLY 203.A N LEU 200.A O no hydrogen 2.873 N/A ALA 204.A N GLU 199.A O no hydrogen 2.939 N/A TYR 207.A OH VAL 187.A O no hydrogen 2.863 N/A THR 208.A OG1 SER 210.A OG no hydrogen 2.746 N/A SER 210.A N THR 208.A OG1 no hydrogen 3.345 N/A SER 210.A OG THR 208.A OG1 no hydrogen 2.746 N/A ILE 211.A N THR 208.A O no hydrogen 3.350 N/A ASP 212.A N SER 209.A O no hydrogen 3.089 N/A TRP 214.A N SER 210.A O no hydrogen 3.174 N/A SER 215.A N ILE 211.A O no hydrogen 3.000 N/A SER 215.A OG TYR 195.A O no hydrogen 2.736 N/A SER 215.A OG ILE 211.A O no hydrogen 3.304 N/A ALA 216.A N ASP 212.A O no hydrogen 2.963 N/A GLY 217.A N VAL 213.A O no hydrogen 2.975 N/A CYS 218.A N TRP 214.A O no hydrogen 2.983 N/A CYS 218.A SG TYR 194.A O no hydrogen 3.688 N/A CYS 218.A SG TRP 214.A O no hydrogen 3.441 N/A VAL 219.A N SER 215.A O no hydrogen 2.927 N/A LEU 220.A N ALA 216.A O no hydrogen 2.880 N/A ALA 221.A N GLY 217.A O no hydrogen 2.926 N/A GLU 222.A N CYS 218.A O no hydrogen 2.919 N/A LEU 223.A N VAL 219.A O no hydrogen 2.925 N/A LEU 224.A N LEU 220.A O no hydrogen 3.103 N/A LEU 225.A N ALA 221.A O no hydrogen 2.846 N/A GLY 226.A N GLU 222.A O no hydrogen 2.773 N/A SER 234.A OG ASP 237.A OD2 no hydrogen 2.698 N/A ASP 237.A N SER 234.A OG no hydrogen 3.077 N/A GLN 238.A N SER 234.A O no hydrogen 3.099 N/A GLN 238.A NE2 GLY 232.A O no hydrogen 2.893 N/A LEU 239.A N GLY 235.A O no hydrogen 2.960 N/A VAL 240.A N VAL 236.A O no hydrogen 2.798 N/A GLU 241.A N ASP 237.A O no hydrogen 3.154 N/A ILE 242.A N GLN 238.A O no hydrogen 2.993 N/A ILE 243.A N LEU 239.A O no hydrogen 2.881 N/A LYS 244.A N VAL 240.A O no hydrogen 2.748 N/A VAL 245.A N ILE 242.A O no hydrogen 2.955 N/A LEU 246.A N ILE 242.A O no hydrogen 2.723 N/A GLY 247.A N ILE 243.A O no hydrogen 2.710 N/A THR 248.A N ILE 269.A O no hydrogen 3.070 N/A THR 248.A OG1 PRO 267.A O no hydrogen 2.785 N/A THR 250.A N GLN 253.A OE1 no hydrogen 2.889 N/A THR 250.A OG1 GLN 253.A OE1 no hydrogen 3.161 N/A ARG 251.A NE THR 262.A O no hydrogen 3.296 N/A GLN 253.A N THR 250.A OG1 no hydrogen 3.247 N/A ILE 254.A N THR 250.A O no hydrogen 2.882 N/A ARG 255.A N ARG 251.A O no hydrogen 2.907 N/A ARG 255.A NE GLU 252.A OE2 no hydrogen 3.140 N/A ARG 255.A NH2 GLU 252.A OE2 no hydrogen 2.473 N/A GLU 256.A N GLU 252.A O no hydrogen 3.122 N/A MET 257.A N GLN 253.A O no hydrogen 3.200 N/A ASN 258.A N ILE 254.A O no hydrogen 2.693 N/A ASN 258.A ND2 PHE 202.A O no hydrogen 2.911 N/A ASN 260.A N ASN 258.A OD1 no hydrogen 3.193 N/A TYR 261.A N ASN 258.A O no hydrogen 3.237 N/A THR 262.A OG1 PRO 259.A O no hydrogen 3.162 N/A THR 262.A OG1 GLU 263.A OE2 no hydrogen 3.041 N/A PHE 264.A N TYR 261.A O no hydrogen 3.412 N/A PHE 266.A N PHE 264.A O no hydrogen 3.137 N/A ILE 269.A N THR 248.A OG1 no hydrogen 2.709 N/A HIS 272.A N VAL 245.A O no hydrogen 2.821 N/A LYS 276.A N PRO 273.A O no hydrogen 3.020 N/A VAL 277.A N PRO 273.A O no hydrogen 3.204 N/A VAL 277.A N TRP 274.A O no hydrogen 3.092 N/A PHE 278.A N TRP 274.A O no hydrogen 3.373 N/A THR 282.A N ARG 279.A O no hydrogen 3.127 N/A THR 282.A OG1 ARG 279.A O no hydrogen 2.786 N/A ALA 286.A N PRO 283.A O no hydrogen 3.066 N/A ILE 287.A N PRO 283.A O no hydrogen 3.239 N/A ALA 288.A N PRO 284.A O no hydrogen 2.799 N/A LEU 289.A N GLU 285.A O no hydrogen 2.833 N/A CYS 290.A N ALA 286.A O no hydrogen 2.919 N/A CYS 290.A SG.A GLY 217.A O no hydrogen 3.966 N/A CYS 290.A SG.B ALA 286.A O no hydrogen 3.219 N/A SER 291.A N ILE 287.A O no hydrogen 3.078 N/A SER 291.A OG ALA 288.A O no hydrogen 2.765 N/A ARG 292.A N ALA 288.A O no hydrogen 3.334 N/A ARG 292.A N LEU 289.A O no hydrogen 3.185 N/A ARG 292.A NH1 GLU 295.A OE2 no hydrogen 3.418 N/A ARG 292.A NH1 ALA 300.A O no hydrogen 3.110 N/A ARG 292.A NH2 ALA 300.A O no hydrogen 3.463 N/A LEU 293.A N CYS 290.A O no hydrogen 2.973 N/A LEU 294.A N CYS 290.A O no hydrogen 2.768 N/A TYR 296.A OH GLY 247.A O no hydrogen 2.638 N/A ALA 300.A N THR 297.A O no hydrogen 2.903 N/A ARG 301.A N PRO 298.A O no hydrogen 3.298 N/A ARG 301.A NE GLU 295.A O no hydrogen 2.787 N/A ARG 301.A NH1 GLU 199.A OE2 no hydrogen 2.650 N/A ARG 301.A NH1 SER 210.A O no hydrogen 3.096 N/A ARG 301.A NH2 GLU 199.A OE1 no hydrogen 2.539 N/A ARG 301.A NH2 GLU 199.A OE2 no hydrogen 3.193 N/A ARG 301.A NH2 GLU 295.A O no hydrogen 3.198 N/A ARG 301.A NH2 TYR 296.A O no hydrogen 3.231 N/A LEU 302.A N ARG 292.A O no hydrogen 3.131 N/A THR 303.A N GLU 306.A OE1 no hydrogen 3.210 N/A GLU 306.A N THR 303.A OG1 no hydrogen 3.001 N/A ALA 307.A N THR 303.A O no hydrogen 2.733 N/A CYS 308.A N PRO 304.A O no hydrogen 3.050 N/A CYS 308.A SG TYR 136.A O no hydrogen 3.646 N/A CYS 308.A SG PRO 304.A O no hydrogen 3.600 N/A ALA 309.A N LEU 305.A O no hydrogen 3.243 N/A ALA 309.A N GLU 306.A O no hydrogen 3.009 N/A HIS 310.A N ALA 307.A O no hydrogen 3.130 N/A SER 311.A OG GLU 285.A OE1 no hydrogen 2.751 N/A PHE 312.A N HIS 310.A ND1 no hydrogen 2.933 N/A PHE 313.A N HIS 310.A O no hydrogen 3.191 N/A ASP 314.A N SER 311.A O no hydrogen 3.287 N/A LEU 316.A N PHE 313.A O no hydrogen 3.304 N/A ARG 317.A N ASP 314.A O no hydrogen 3.116 N/A ARG 317.A NH1 HIS 310.A O no hydrogen 3.436 N/A ASP 318.A N GLU 315.A O no hydrogen 3.295 N/A LEU 323.A N ARG 327.A O no hydrogen 2.851 N/A ASN 325.A ND2 ASP 165.A O no hydrogen 3.397 N/A GLY 326.A N LEU 323.A O no hydrogen 2.728 N/A ARG 327.A N ASN 325.A OD1 no hydrogen 2.967 N/A THR 336.A N GLU 339.A OE1 no hydrogen 3.322 N/A GLN 338.A NE2 SER 147.A OG no hydrogen 3.152 N/A LEU 340.A N THR 336.A O no hydrogen 3.255 N/A SER 341.A N GLN 338.A O no hydrogen 3.198 N/A SER 341.A OG GLN 338.A O no hydrogen 2.617 N/A ASN 343.A N LEU 340.A O no hydrogen 3.300 N/A LEU 346.A N ASN 343.A O no hydrogen 3.064 N/A ALA 347.A N PRO 344.A O no hydrogen 3.061 N/A THR 348.A N PRO 345.A O no hydrogen 3.399 N/A THR 348.A OG1 PRO 345.A O no hydrogen 3.417 N/A ILE 349.A N LEU 346.A O no hydrogen 2.956 N/A LEU 350.A N LEU 346.A O no hydrogen 2.802 N/A ILE 351.A N ALA 347.A O no hydrogen 2.904 N/A HIS 354.A NE2 ARG 317.A O no hydrogen 2.538 N/A ALA 355.A N PRO 352.A O no hydrogen 3.034 N/A