Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1py5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 67.A OD1 no hydrogen 3.088 N/A THR 5.A N ILE 2.A O no hydrogen 2.879 N/A THR 5.A OG1 THR 1.A O no hydrogen 2.782 N/A ILE 6.A N ALA 3.A O no hydrogen 3.118 N/A VAL 7.A N LYS 24.A O no hydrogen 3.182 N/A GLN 9.A N ARG 22.A O no hydrogen 2.878 N/A GLU 10.A N ARG 22.A O no hydrogen 3.321 N/A ILE 12.A N VAL 20.A O no hydrogen 2.928 N/A VAL 20.A N GLY 13.A O no hydrogen 2.834 N/A TRP 21.A N VAL 32.A O no hydrogen 2.787 N/A ARG 22.A N GLU 10.A O no hydrogen 2.641 N/A ARG 22.A NE GLU 10.A OE2 no hydrogen 3.214 N/A ARG 22.A NH1 GLU 29.A OE1 no hydrogen 3.062 N/A ARG 22.A NH2 GLU 10.A OE2 no hydrogen 2.934 N/A GLY 23.A N VAL 30.A O no hydrogen 2.615 N/A LYS 24.A N VAL 7.A O no hydrogen 2.864 N/A LYS 24.A NZ GLU 29.A OE2 no hydrogen 2.392 N/A TRP 25.A N GLU 28.A O no hydrogen 2.806 N/A GLU 28.A N TRP 25.A O no hydrogen 2.828 N/A VAL 30.A N GLY 23.A O no hydrogen 2.868 N/A ALA 31.A N SER 81.A O no hydrogen 3.009 N/A VAL 32.A N TRP 21.A O no hydrogen 2.882 N/A LYS 33.A N LEU 79.A O no hydrogen 2.827 N/A LYS 33.A NZ GLU 46.A OE1 no hydrogen 2.939 N/A LYS 33.A NZ GLU 46.A OE2 no hydrogen 2.897 N/A LYS 33.A NZ ASP 152.A OD1 no hydrogen 3.205 N/A PHE 35.A N LEU 77.A O no hydrogen 3.105 N/A SER 36.A N GLU 39.A OE2 no hydrogen 3.371 N/A SER 36.A OG SER 36.A O no hydrogen 2.388 N/A SER 37.A N PHE 35.A O no hydrogen 2.473 N/A ARG 38.A N SER 36.A O no hydrogen 2.608 N/A GLU 40.A N SER 37.A O no hydrogen 2.524 N/A SER 42.A N GLU 39.A O no hydrogen 3.028 N/A TRP 43.A N GLU 40.A O no hydrogen 2.631 N/A TRP 43.A NE1 TRP 78.A O no hydrogen 2.795 N/A PHE 44.A N GLU 40.A OE2 no hydrogen 2.803 N/A ARG 45.A NH1 GLU 48.A OE1 no hydrogen 2.850 N/A ARG 45.A NH1 ASP 167.A OD1 no hydrogen 3.378 N/A ARG 45.A NH1 ASP 167.A OD2 no hydrogen 3.008 N/A ARG 45.A NH2 ALA 156.A O no hydrogen 3.043 N/A ARG 45.A NH2 ASP 167.A O no hydrogen 3.162 N/A ARG 45.A NH2 ASP 167.A OD2 no hydrogen 3.185 N/A GLU 46.A N SER 42.A O no hydrogen 2.754 N/A ALA 47.A N TRP 43.A O no hydrogen 2.858 N/A GLU 48.A N PHE 44.A O no hydrogen 2.701 N/A ILE 49.A N ARG 45.A O no hydrogen 2.920 N/A TYR 50.A N GLU 46.A O no hydrogen 3.089 N/A GLN 51.A N GLU 48.A O no hydrogen 2.978 N/A GLN 51.A NE2 ALA 47.A O no hydrogen 3.622 N/A THR 52.A N GLU 48.A O no hydrogen 2.727 N/A THR 52.A OG1 GLU 48.A O no hydrogen 3.292 N/A HIS 57.A NE2 ASN 59.A OD1 no hydrogen 3.081 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.568 N/A ASN 59.A ND2 CYS 148.A O no hydrogen 3.022 N/A ILE 60.A N HIS 57.A O no hydrogen 2.985 N/A LEU 61.A N ILE 150.A O no hydrogen 2.841 N/A ILE 64.A N VAL 80.A O no hydrogen 2.793 N/A ALA 65.A N VAL 80.A O no hydrogen 2.931 N/A ASP 67.A N TRP 78.A O no hydrogen 3.337 N/A LYS 69.A N GLN 76.A O no hydrogen 2.913 N/A ASN 71.A N LYS 69.A O no hydrogen 2.357 N/A TRP 78.A N ASP 67.A O no hydrogen 3.245 N/A LEU 79.A N LYS 33.A O no hydrogen 2.939 N/A VAL 80.A N ALA 65.A O no hydrogen 2.783 N/A SER 81.A N ALA 31.A O no hydrogen 2.905 N/A SER 81.A OG ASP 82.A O no hydrogen 2.639 N/A ASP 82.A N GLY 62.A O no hydrogen 3.127 N/A GLY 87.A N HIS 84.A O no hydrogen 2.809 N/A LEU 89.A N ILE 140.A O no hydrogen 2.660 N/A PHE 90.A N SER 137.A O no hydrogen 3.218 N/A ASP 91.A N SER 88.A OG no hydrogen 3.025 N/A TYR 92.A N SER 88.A O no hydrogen 2.991 N/A LEU 93.A N LEU 89.A O no hydrogen 2.763 N/A ASN 94.A N PHE 90.A O no hydrogen 2.966 N/A ASN 94.A ND2 PHE 90.A O no hydrogen 3.057 N/A ARG 95.A N ASP 91.A O no hydrogen 3.039 N/A ARG 95.A N TYR 92.A O no hydrogen 2.919 N/A TYR 96.A N TYR 92.A O no hydrogen 2.864 N/A VAL 98.A N ARG 215.A O no hydrogen 2.708 N/A MET 103.A N THR 99.A O no hydrogen 2.999 N/A ILE 104.A N VAL 100.A O no hydrogen 3.185 N/A LYS 105.A N GLU 101.A O no hydrogen 2.956 N/A LYS 105.A NZ ASN 145.A O no hydrogen 3.380 N/A LEU 106.A N GLY 102.A O no hydrogen 2.823 N/A ALA 107.A N MET 103.A O no hydrogen 2.961 N/A LEU 108.A N ILE 104.A O no hydrogen 2.672 N/A SER 109.A N LYS 105.A O no hydrogen 3.004 N/A SER 109.A OG LYS 105.A O no hydrogen 2.645 N/A SER 109.A OG LEU 106.A O no hydrogen 2.736 N/A THR 110.A N LEU 106.A O no hydrogen 3.145 N/A THR 110.A OG1 LEU 106.A O no hydrogen 2.818 N/A ALA 111.A N ALA 107.A O no hydrogen 3.120 N/A SER 112.A N LEU 108.A O no hydrogen 2.775 N/A SER 112.A OG LEU 108.A O no hydrogen 2.793 N/A GLY 113.A N SER 109.A O no hydrogen 2.873 N/A LEU 114.A N THR 110.A O no hydrogen 2.970 N/A ALA 115.A N ALA 111.A O no hydrogen 2.737 N/A HIS 116.A N SER 112.A O no hydrogen 2.978 N/A LEU 117.A N GLY 113.A O no hydrogen 3.011 N/A HIS 118.A N LEU 114.A O no hydrogen 2.846 N/A HIS 118.A NE2 ASP 201.A OD2 no hydrogen 2.675 N/A MET 119.A N ALA 115.A O no hydrogen 2.960 N/A ILE 121.A N LYS 127.A O no hydrogen 2.766 N/A GLY 126.A N THR 124.A O no hydrogen 2.770 N/A LYS 127.A N ILE 121.A O no hydrogen 2.666 N/A LYS 127.A NZ HIS 116.A O no hydrogen 2.913 N/A LYS 127.A NZ LEU 117.A O no hydrogen 3.124 N/A LYS 127.A NZ MET 119.A O no hydrogen 2.622 N/A LYS 127.A NZ PRO 128.A O no hydrogen 3.055 N/A ALA 129.A N GLU 120.A OE1 no hydrogen 3.059 N/A ILE 130.A N LEU 117.A O no hydrogen 2.735 N/A ALA 131.A N VAL 157.A O no hydrogen 2.994 N/A HIS 132.A N ASP 201.A OD2 no hydrogen 2.804 N/A ARG 133.A N ASP 201.A OD1 no hydrogen 2.955 N/A ARG 133.A NE LEU 155.A O no hydrogen 2.576 N/A ARG 133.A NH2 LEU 155.A O no hydrogen 2.811 N/A LYS 136.A NZ THR 176.A OG1 no hydrogen 2.574 N/A SER 137.A OG GLU 211.A OE1 no hydrogen 2.540 N/A ASN 139.A N LYS 136.A O no hydrogen 2.968 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.821 N/A ASN 139.A ND2 ASP 134.A OD2 no hydrogen 3.003 N/A ILE 140.A N SER 137.A O no hydrogen 3.484 N/A LEU 141.A N CYS 149.A O no hydrogen 3.147 N/A VAL 142.A N GLY 87.A O no hydrogen 3.068 N/A LYS 143.A N THR 147.A O no hydrogen 2.808 N/A GLY 146.A N LYS 143.A O no hydrogen 3.219 N/A CYS 148.A N SER 109.A OG no hydrogen 2.894 N/A CYS 148.A SG LEU 106.A O no hydrogen 3.658 N/A CYS 148.A SG THR 110.A OG1 no hydrogen 3.484 N/A CYS 149.A N LEU 141.A O no hydrogen 3.030 N/A CYS 149.A SG HIS 84.A NE2 no hydrogen 3.599 N/A ILE 150.A N ASN 59.A O no hydrogen 2.813 N/A ALA 151.A N ASN 139.A O no hydrogen 2.871 N/A ALA 156.A N LEU 153.A O no hydrogen 3.131 N/A VAL 157.A N ALA 131.A O no hydrogen 2.862 N/A ARG 158.A NE ASP 167.A OD2 no hydrogen 3.410 N/A HIS 159.A N ALA 129.A O no hydrogen 3.004 N/A HIS 159.A NE2 ASP 164.A OD1 no hydrogen 3.356 N/A ASP 160.A N THR 165.A O no hydrogen 2.723 N/A THR 163.A OG1 THR 165.A OG1 no hydrogen 2.593 N/A ASP 164.A N SER 161.A O no hydrogen 3.051 N/A THR 165.A N ASP 160.A O no hydrogen 3.096 N/A THR 165.A OG1 THR 163.A OG1 no hydrogen 2.593 N/A ASP 167.A N ARG 158.A O no hydrogen 2.860 N/A ARG 173.A N ASN 171.A OD1 no hydrogen 2.450 N/A THR 176.A N ASP 134.A OD1 no hydrogen 3.304 N/A THR 176.A OG1 ASP 134.A OD1 no hydrogen 2.867 N/A ARG 178.A NE PRO 228.A O no hydrogen 2.793 N/A TYR 179.A N THR 176.A O no hydrogen 3.294 N/A TYR 179.A OH GLU 211.A OE2 no hydrogen 2.534 N/A MET 180.A N LYS 177.A O no hydrogen 3.363 N/A VAL 184.A N ALA 181.A O no hydrogen 2.985 N/A LEU 185.A N ALA 181.A O no hydrogen 2.968 N/A ASP 186.A N PRO 182.A O no hydrogen 2.951 N/A ASP 187.A N VAL 184.A O no hydrogen 3.282 N/A SER 188.A N GLU 183.A O no hydrogen 2.902 N/A SER 188.A OG ASP 186.A OD1 no hydrogen 2.704 N/A ILE 189.A N GLU 183.A O no hydrogen 2.848 N/A HIS 193.A N ASN 190.A O no hydrogen 2.948 N/A SER 196.A N HIS 193.A O no hydrogen 3.152 N/A PHE 197.A N PHE 194.A O no hydrogen 2.967 N/A LYS 198.A N PHE 194.A O no hydrogen 3.479 N/A LYS 198.A NZ GLU 195.A OE2 no hydrogen 2.911 N/A ARG 199.A N GLU 195.A O no hydrogen 2.851 N/A ALA 200.A N SER 196.A O no hydrogen 2.924 N/A ASP 201.A N PHE 197.A O no hydrogen 2.890 N/A ILE 202.A N LYS 198.A O no hydrogen 3.075 N/A TYR 203.A N ARG 199.A O no hydrogen 3.289 N/A TYR 203.A OH TYR 229.A OH no hydrogen 2.634 N/A ALA 204.A N ALA 200.A O no hydrogen 3.252 N/A MET 205.A N ASP 201.A O no hydrogen 3.018 N/A GLY 206.A N ILE 202.A O no hydrogen 3.103 N/A VAL 208.A N ALA 204.A O no hydrogen 3.347 N/A PHE 209.A N MET 205.A O no hydrogen 2.980 N/A TRP 210.A N GLY 206.A O no hydrogen 3.000 N/A TRP 210.A NE1 ASN 254.A O no hydrogen 2.672 N/A GLU 211.A N LEU 207.A O no hydrogen 2.979 N/A ILE 212.A N VAL 208.A O no hydrogen 3.074 N/A ALA 213.A N PHE 209.A O no hydrogen 2.808 N/A ARG 214.A N TRP 210.A O no hydrogen 3.153 N/A ARG 214.A NH1 ASP 224.A O no hydrogen 2.540 N/A ARG 215.A N ILE 212.A O no hydrogen 2.944 N/A ARG 215.A NE GLU 223.A O no hydrogen 3.385 N/A ARG 215.A NH1 LEU 93.A O no hydrogen 3.012 N/A ARG 215.A NH1 TYR 96.A O no hydrogen 3.158 N/A ARG 215.A NH2 GLU 223.A O no hydrogen 3.264 N/A CYS 216.A N ALA 213.A O no hydrogen 3.116 N/A SER 217.A N VAL 98.A O no hydrogen 2.651 N/A SER 217.A OG HIS 222.A ND1 no hydrogen 2.865 N/A ILE 218.A N ILE 221.A O no hydrogen 3.333 N/A ILE 221.A N ILE 218.A O no hydrogen 2.584 N/A HIS 222.A ND1 SER 217.A OG no hydrogen 2.865 N/A GLU 223.A N ARG 214.A O no hydrogen 2.912 N/A TYR 225.A OH GLU 211.A OE1 no hydrogen 2.452 N/A TYR 229.A OH TYR 203.A OH no hydrogen 2.634 N/A TYR 230.A N LEU 227.A O no hydrogen 3.262 N/A ASP 231.A N ASP 231.A OD1 no hydrogen 2.527 N/A LEU 232.A N TYR 229.A O no hydrogen 2.912 N/A VAL 233.A N TYR 229.A O no hydrogen 3.086 N/A SER 238.A N GLU 241.A OE1 no hydrogen 3.028 N/A GLU 241.A N SER 238.A OG no hydrogen 3.412 N/A MET 242.A N SER 238.A O no hydrogen 3.065 N/A ARG 243.A N VAL 239.A O no hydrogen 2.798 N/A LYS 244.A N GLU 240.A O no hydrogen 3.165 N/A VAL 246.A N MET 242.A O no hydrogen 2.675 N/A CYS 247.A N ARG 243.A O no hydrogen 2.765 N/A CYS 247.A SG PRO 182.A O no hydrogen 3.509 N/A GLU 248.A N ARG 243.A O no hydrogen 3.141 N/A GLN 249.A N LYS 244.A O no hydrogen 2.853 N/A GLN 249.A NE2 LYS 244.A O no hydrogen 2.947 N/A LEU 251.A N VAL 245.A O no hydrogen 3.008 N/A ARG 252.A NE TRP 276.A O no hydrogen 3.113 N/A ARG 252.A NH1 VAL 246.A O no hydrogen 2.750 N/A ARG 252.A NH1 LEU 251.A O no hydrogen 3.396 N/A ARG 252.A NH2 TRP 276.A O no hydrogen 3.042 N/A ARG 258.A NE GLU 223.A OE1 no hydrogen 2.846 N/A ARG 258.A NH2 GLU 223.A OE2 no hydrogen 3.181 N/A TRP 259.A N PRO 256.A O no hydrogen 2.813 N/A SER 261.A N ARG 258.A O no hydrogen 2.743 N/A SER 261.A OG ARG 258.A O no hydrogen 3.471 N/A ARG 266.A N CYS 262.A O no hydrogen 2.827 N/A VAL 267.A N GLU 263.A O no hydrogen 2.916 N/A MET 268.A N ALA 264.A O no hydrogen 3.058 N/A ALA 269.A N LEU 265.A O no hydrogen 3.002 N/A LYS 270.A N ARG 266.A O no hydrogen 3.109 N/A LYS 270.A NZ GLU 274.A OE2 no hydrogen 2.752 N/A ILE 271.A N VAL 267.A O no hydrogen 2.873 N/A MET 272.A N MET 268.A O no hydrogen 2.931 N/A ARG 273.A N ALA 269.A O no hydrogen 3.303 N/A ARG 273.A NH1 ALA 269.A O no hydrogen 2.822 N/A GLU 274.A N LYS 270.A O no hydrogen 3.112 N/A CYS 275.A N MET 272.A O no hydrogen 2.847 N/A CYS 275.A SG ILE 271.A O no hydrogen 2.988 N/A TRP 276.A N ARG 273.A O no hydrogen 3.163 N/A ALA 281.A N ASN 279.A OD1 no hydrogen 3.036 N/A ALA 282.A N ASN 279.A O no hydrogen 2.835 N/A ARG 283.A N GLY 280.A O no hydrogen 3.070 N/A ARG 283.A NE TYR 277.A O no hydrogen 2.656 N/A ARG 283.A NH1 GLU 183.A OE1 no hydrogen 3.426 N/A ARG 283.A NH1 ARG 199.A O no hydrogen 2.930 N/A ARG 283.A NH2 GLU 183.A OE2 no hydrogen 2.585 N/A ARG 283.A NH2 TYR 277.A O no hydrogen 2.771 N/A LEU 284.A N GLU 274.A O no hydrogen 2.990 N/A ILE 289.A N THR 285.A O no hydrogen 3.014 N/A LYS 290.A N ALA 286.A O no hydrogen 2.977 N/A LYS 291.A N LEU 287.A O no hydrogen 3.018 N/A THR 292.A N ARG 288.A O no hydrogen 3.124 N/A THR 292.A OG1 ILE 289.A O no hydrogen 3.219 N/A LEU 293.A N ILE 289.A O no hydrogen 2.906 N/A SER 294.A N LYS 290.A O no hydrogen 2.738 N/A GLN 295.A N LYS 291.A O no hydrogen 2.812 N/A LEU 296.A N THR 292.A O no hydrogen 2.951 N/A SER 297.A N LEU 293.A O no hydrogen 2.952 N/A SER 297.A N SER 294.A O no hydrogen 2.809 N/A GLN 298.A N SER 294.A O no hydrogen 3.062 N/A GLN 299.A N GLN 295.A O no hydrogen 3.453 N/A GLU 300.A N LEU 296.A O no hydrogen 3.325 N/A GLU 300.A N SER 297.A O no hydrogen 3.067 N/A GLY 301.A N SER 297.A O no hydrogen 2.872 N/A GLY 301.A N GLN 298.A O no hydrogen 3.121 N/A