Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4au8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N GLY 1.A O no hydrogen 3.283 N/A TYR 5.A N SER 2.A O no hydrogen 3.208 N/A GLU 6.A N LYS 23.A O no hydrogen 2.829 N/A LEU 8.A N LYS 21.A O no hydrogen 2.811 N/A GLU 9.A N LYS 21.A O no hydrogen 3.485 N/A ILE 11.A N VAL 19.A O no hydrogen 2.858 N/A GLY 12.A N VAL 19.A O no hydrogen 3.167 N/A GLY 14.A N GLY 17.A O no hydrogen 2.823 N/A TYR 16.A OH GLU 43.A OE1 no hydrogen 2.395 N/A THR 18.A OG1 GLU 13.A OE2 no hydrogen 3.501 N/A VAL 19.A N GLY 12.A O no hydrogen 2.924 N/A PHE 20.A N LEU 33.A O no hydrogen 2.822 N/A LYS 21.A N GLU 9.A O no hydrogen 2.782 N/A ALA 22.A N VAL 31.A O no hydrogen 2.880 N/A LYS 23.A N GLU 6.A O no hydrogen 2.971 N/A ASN 24.A N GLU 29.A O no hydrogen 2.887 N/A ASN 24.A ND2 TYR 5.A OH no hydrogen 3.434 N/A ARG 25.A N LYS 4.A O no hydrogen 2.715 N/A ARG 25.A NH1 GLN 3.A O no hydrogen 2.931 N/A GLU 26.A N ASN 24.A OD1 no hydrogen 2.944 N/A THR 27.A N ASN 24.A OD1 no hydrogen 3.089 N/A HIS 28.A N ASN 24.A O no hydrogen 2.704 N/A GLU 29.A N THR 27.A OG1 no hydrogen 3.268 N/A VAL 31.A N ALA 22.A O no hydrogen 2.785 N/A ALA 32.A N PHE 69.A O no hydrogen 2.857 N/A LEU 33.A N PHE 20.A O no hydrogen 2.730 N/A LYS 34.A N LEU 67.A O no hydrogen 2.870 N/A LYS 34.A NZ GLU 43.A OE1 no hydrogen 2.645 N/A LYS 34.A NZ GLU 43.A OE2 no hydrogen 3.434 N/A LYS 34.A NZ ASP 133.A OD1 no hydrogen 2.696 N/A ARG 35.A NH2 SER 2.A O no hydrogen 3.104 N/A VAL 36.A N LEU 65.A O no hydrogen 2.882 N/A SER 39.A OG GLY 135.A O no hydrogen 2.790 N/A LEU 41.A N PRO 37.A O no hydrogen 3.139 N/A ARG 42.A N SER 38.A O no hydrogen 2.883 N/A ARG 42.A NH1 ALA 137.A O no hydrogen 2.849 N/A ARG 42.A NH2 SER 38.A OG no hydrogen 3.387 N/A GLU 43.A N SER 39.A O no hydrogen 3.100 N/A ILE 44.A N ALA 40.A O no hydrogen 3.095 N/A CYS 45.A N LEU 41.A O no hydrogen 3.007 N/A CYS 45.A SG LEU 41.A O no hydrogen 3.293 N/A LEU 46.A N ARG 42.A O no hydrogen 2.967 N/A LEU 47.A N GLU 43.A O no hydrogen 2.845 N/A LYS 48.A N ILE 44.A O no hydrogen 2.979 N/A GLU 49.A N LEU 46.A O no hydrogen 2.884 N/A LEU 50.A N LEU 46.A O no hydrogen 2.876 N/A LYS 51.A NZ LEU 47.A O no hydrogen 3.388 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 2.998 N/A ASN 54.A ND2 GLN 98.A OE1 no hydrogen 3.223 N/A ASN 54.A ND2 LEU 129.A O no hydrogen 2.887 N/A ILE 55.A N HIS 52.A O no hydrogen 2.994 N/A VAL 56.A N LEU 131.A O no hydrogen 2.926 N/A ARG 57.A N GLU 70.A OE1 no hydrogen 2.967 N/A HIS 59.A N VAL 68.A O no hydrogen 2.682 N/A ASP 60.A N VAL 68.A O no hydrogen 3.159 N/A LEU 62.A N THR 66.A O no hydrogen 2.803 N/A LEU 65.A N VAL 36.A O no hydrogen 2.903 N/A THR 66.A N LEU 62.A O no hydrogen 2.799 N/A LEU 67.A N LYS 34.A O no hydrogen 2.738 N/A VAL 68.A N ASP 60.A O no hydrogen 2.840 N/A PHE 69.A N ALA 32.A O no hydrogen 2.702 N/A GLU 70.A N ARG 57.A O no hydrogen 3.080 N/A CYS 72.A SG GLU 70.A OE2 no hydrogen 3.919 N/A GLN 74.A N ILE 123.A O no hydrogen 3.350 N/A LEU 76.A N PRO 118.A O no hydrogen 3.237 N/A LEU 76.A N LEU 121.A O no hydrogen 2.790 N/A LYS 78.A N ASP 75.A OD1 no hydrogen 2.790 N/A TYR 79.A N ASP 75.A O no hydrogen 2.984 N/A PHE 80.A N LEU 76.A O no hydrogen 2.821 N/A ASP 81.A N LYS 77.A O no hydrogen 3.020 N/A SER 82.A N LYS 78.A O no hydrogen 3.061 N/A CYS 83.A N.A TYR 79.A O no hydrogen 2.995 N/A CYS 83.A N.B TYR 79.A O no hydrogen 3.011 N/A CYS 83.A N.B PHE 80.A O no hydrogen 3.191 N/A CYS 83.A SG.A GLY 85.A O no hydrogen 3.307 N/A CYS 83.A SG.A ASP 86.A O no hydrogen 3.383 N/A CYS 83.A SG.B TYR 79.A O no hydrogen 3.223 N/A ASN 84.A N PHE 80.A O no hydrogen 3.216 N/A GLU 90.A N ASP 88.A OD1 no hydrogen 3.128 N/A ILE 91.A N ASP 88.A O no hydrogen 2.797 N/A VAL 92.A N ASP 88.A O no hydrogen 3.088 N/A LYS 93.A N PRO 89.A O no hydrogen 3.130 N/A LYS 93.A NZ GLU 90.A OE2 no hydrogen 3.337 N/A LYS 93.A NZ ASP 275.A OD2 no hydrogen 3.256 N/A SER 94.A N GLU 90.A O no hydrogen 2.994 N/A PHE 95.A N ILE 91.A O no hydrogen 2.831 N/A LEU 96.A N VAL 92.A O no hydrogen 2.978 N/A PHE 97.A N LYS 93.A O no hydrogen 2.858 N/A GLN 98.A N SER 94.A O no hydrogen 2.976 N/A GLN 98.A NE2 SER 94.A O no hydrogen 3.381 N/A GLN 98.A NE2 SER 94.A OG no hydrogen 2.984 N/A GLN 98.A NE2 GLY 127.A O no hydrogen 3.042 N/A LEU 99.A N PHE 95.A O no hydrogen 2.994 N/A LEU 100.A N LEU 96.A O no hydrogen 2.948 N/A LYS 101.A N PHE 97.A O no hydrogen 2.938 N/A GLY 102.A N GLN 98.A O no hydrogen 3.026 N/A LEU 103.A N LEU 99.A O no hydrogen 2.841 N/A GLY 104.A N LEU 100.A O no hydrogen 2.714 N/A PHE 105.A N LYS 101.A O no hydrogen 3.070 N/A CYS 106.A N GLY 102.A O no hydrogen 3.135 N/A CYS 106.A SG GLY 102.A O no hydrogen 3.432 N/A HIS 107.A N LEU 103.A O no hydrogen 2.832 N/A HIS 107.A NE2 ASP 171.A OD2 no hydrogen 2.787 N/A SER 108.A N GLY 104.A O no hydrogen 2.956 N/A SER 108.A OG GLY 104.A O no hydrogen 3.260 N/A SER 108.A OG PHE 105.A O no hydrogen 2.801 N/A ARG 109.A N CYS 106.A O no hydrogen 2.911 N/A ARG 109.A NH1 PHE 105.A O no hydrogen 3.121 N/A ASN 110.A N HIS 107.A O no hydrogen 2.988 N/A VAL 111.A N CYS 106.A O no hydrogen 2.889 N/A LEU 112.A N ARG 138.A O no hydrogen 2.944 N/A HIS 113.A N ASP 171.A OD2 no hydrogen 2.715 N/A HIS 113.A NE2 ALA 132.A O no hydrogen 2.791 N/A ARG 114.A N ASP 171.A OD1 no hydrogen 2.831 N/A ARG 114.A NE LEU 136.A O no hydrogen 2.723 N/A ARG 114.A NH1 GLU 148.A O no hydrogen 2.962 N/A ARG 114.A NH1 TYR 166.A OH no hydrogen 2.884 N/A ARG 114.A NH2 GLU 148.A O no hydrogen 2.694 N/A ASP 115.A N HIS 113.A ND1 no hydrogen 2.972 N/A ASN 120.A N LYS 117.A O no hydrogen 2.913 N/A ASN 120.A ND2 ASP 115.A O no hydrogen 2.742 N/A ASN 120.A ND2 ASP 115.A OD2 no hydrogen 3.069 N/A LEU 121.A N PRO 118.A O no hydrogen 3.192 N/A LEU 122.A N LYS 130.A O no hydrogen 2.756 N/A ILE 123.A N GLN 74.A O no hydrogen 2.815 N/A ASN 124.A N GLU 128.A O no hydrogen 3.020 N/A ASN 124.A ND2 GLU 128.A OE1 no hydrogen 2.730 N/A ASN 126.A N ASN 124.A OD1 no hydrogen 3.038 N/A GLY 127.A N ASN 124.A O no hydrogen 3.151 N/A GLU 128.A N ASN 124.A OD1 no hydrogen 3.056 N/A LEU 129.A N GLN 98.A OE1 no hydrogen 2.761 N/A LYS 130.A N LEU 122.A O no hydrogen 2.795 N/A LYS 130.A NZ LYS 53.A O no hydrogen 3.253 N/A LYS 130.A NZ GLU 70.A OE2 no hydrogen 2.689 N/A LEU 131.A N ASN 54.A O no hydrogen 2.873 N/A ALA 132.A N ASN 120.A O no hydrogen 2.885 N/A PHE 134.A N GLU 43.A OE2 no hydrogen 2.786 N/A ALA 137.A N PHE 134.A O no hydrogen 3.205 N/A ARG 138.A N LEU 112.A O no hydrogen 3.060 N/A ARG 138.A NH1 LYS 164.A O no hydrogen 2.995 N/A PHE 140.A N ASN 110.A O no hydrogen 2.723 N/A ILE 142.A N ALA 139.A O no hydrogen 3.113 N/A ARG 145.A NH1 GLU 148.A OE1 no hydrogen 2.962 N/A ARG 145.A NH2 GLU 148.A OE1 no hydrogen 3.257 N/A GLU 148.A N SER 146.A OG no hydrogen 3.320 N/A TRP 153.A NE1 GLY 192.A O no hydrogen 2.934 N/A TYR 154.A N THR 151.A O no hydrogen 3.251 N/A TYR 154.A OH GLU 181.A OE1 no hydrogen 2.590 N/A TYR 154.A OH GLU 181.A OE2 no hydrogen 3.383 N/A ARG 155.A N LEU 152.A O no hydrogen 3.203 N/A ARG 155.A NE VAL 150.A O no hydrogen 2.777 N/A LEU 160.A N PRO 156.A O no hydrogen 2.935 N/A PHE 161.A N PRO 157.A O no hydrogen 2.846 N/A GLY 162.A N VAL 159.A O no hydrogen 2.974 N/A ALA 163.A N ASP 158.A O no hydrogen 2.919 N/A SER 167.A OG SER 169.A OG no hydrogen 3.006 N/A SER 169.A N SER 167.A OG no hydrogen 3.277 N/A SER 169.A OG SER 167.A OG no hydrogen 3.006 N/A ILE 170.A N SER 167.A O no hydrogen 3.256 N/A ASP 171.A N THR 168.A O no hydrogen 2.995 N/A MET 172.A N THR 168.A O no hydrogen 3.387 N/A TRP 173.A N SER 169.A O no hydrogen 3.221 N/A SER 174.A N ILE 170.A O no hydrogen 3.345 N/A SER 174.A OG TYR 154.A O no hydrogen 2.967 N/A SER 174.A OG ILE 170.A O no hydrogen 3.477 N/A ALA 175.A N ASP 171.A O no hydrogen 2.851 N/A GLY 176.A N MET 172.A O no hydrogen 3.091 N/A CYS 177.A N TRP 173.A O no hydrogen 3.032 N/A CYS 177.A SG TRP 153.A O no hydrogen 3.967 N/A CYS 177.A SG TRP 173.A O no hydrogen 3.618 N/A ILE 178.A N SER 174.A O no hydrogen 2.975 N/A PHE 179.A N ALA 175.A O no hydrogen 2.788 N/A ALA 180.A N GLY 176.A O no hydrogen 3.100 N/A GLU 181.A N CYS 177.A O no hydrogen 3.095 N/A LEU 182.A N ILE 178.A O no hydrogen 2.787 N/A ALA 183.A N PHE 179.A O no hydrogen 2.954 N/A ASN 184.A N GLU 181.A O no hydrogen 3.098 N/A ASN 184.A ND2 ALA 180.A O no hydrogen 3.411 N/A ASN 184.A ND2 VAL 238.A O no hydrogen 2.395 N/A GLY 186.A N GLU 181.A O no hydrogen 2.830 N/A ARG 187.A N ASN 184.A O no hydrogen 3.097 N/A GLY 192.A N PHE 190.A O no hydrogen 3.003 N/A GLY 192.A N GLN 198.A OE1 no hydrogen 2.976 N/A ASN 193.A N ASP 197.A OD2 no hydrogen 2.815 N/A ASP 197.A N ASP 194.A OD1 no hydrogen 2.948 N/A GLN 198.A N ASP 194.A O no hydrogen 2.854 N/A GLN 198.A NE2 TRP 153.A O no hydrogen 3.429 N/A GLN 198.A NE2 PHE 190.A O no hydrogen 3.034 N/A LEU 199.A N VAL 195.A O no hydrogen 3.070 N/A LYS 200.A N ASP 196.A O no hydrogen 3.035 N/A LYS 200.A NZ ASP 196.A OD2 no hydrogen 2.995 N/A ARG 201.A N ASP 197.A O no hydrogen 2.885 N/A ARG 201.A NE ASP 197.A OD2 no hydrogen 2.851 N/A ILE 202.A N GLN 198.A O no hydrogen 3.052 N/A PHE 203.A N LEU 199.A O no hydrogen 2.913 N/A ARG 204.A N LYS 200.A O no hydrogen 2.906 N/A LEU 205.A N ARG 201.A O no hydrogen 3.314 N/A LEU 205.A N ILE 202.A O no hydrogen 3.192 N/A LEU 206.A N ILE 202.A O no hydrogen 2.913 N/A GLY 207.A N PHE 203.A O no hydrogen 2.717 N/A THR 208.A N TYR 229.A O no hydrogen 3.086 N/A THR 208.A OG1 PRO 227.A O no hydrogen 2.715 N/A THR 210.A N GLN 213.A OE1 no hydrogen 2.911 N/A THR 210.A OG1 GLN 213.A OE1 no hydrogen 3.037 N/A GLN 213.A N THR 210.A OG1 no hydrogen 3.258 N/A TRP 214.A N THR 210.A O no hydrogen 3.032 N/A MET 217.A N TRP 214.A O no hydrogen 3.132 N/A THR 218.A OG1 GLU 211.A OE2 no hydrogen 3.527 N/A LYS 219.A N SER 216.A O no hydrogen 2.976 N/A LEU 220.A N MET 217.A O no hydrogen 3.444 N/A ASP 222.A N PHE 161.A O no hydrogen 2.802 N/A TYR 223.A N LEU 220.A O no hydrogen 3.111 N/A TYR 226.A OH ASP 196.A OD1 no hydrogen 2.652 N/A TYR 229.A N THR 208.A OG1 no hydrogen 3.253 N/A TYR 229.A N PRO 227.A O no hydrogen 2.993 N/A THR 232.A N LEU 205.A O no hydrogen 3.205 N/A THR 232.A OG1 ARG 204.A O no hydrogen 3.326 N/A THR 232.A OG1 LEU 205.A O no hydrogen 2.833 N/A VAL 236.A N SER 234.A OG no hydrogen 3.228 N/A VAL 238.A N LEU 235.A O no hydrogen 3.001 N/A VAL 239.A N LEU 235.A O no hydrogen 2.910 N/A LEU 242.A N VAL 239.A O no hydrogen 3.127 N/A THR 245.A OG1 ASN 243.A OD1 no hydrogen 3.108 N/A GLY 246.A N ASN 243.A OD1 no hydrogen 2.746 N/A ARG 247.A N ASN 243.A O no hydrogen 2.888 N/A ARG 247.A NH1 LEU 242.A O no hydrogen 3.143 N/A ASP 248.A N ALA 244.A O no hydrogen 3.023 N/A LEU 249.A N THR 245.A O no hydrogen 3.091 N/A LEU 250.A N GLY 246.A O no hydrogen 2.976 N/A GLN 251.A N ARG 247.A O no hydrogen 2.971 N/A ASN 252.A N ASP 248.A O no hydrogen 3.189 N/A ASN 252.A ND2 ASP 248.A O no hydrogen 2.896 N/A LEU 253.A N LEU 249.A O no hydrogen 3.066 N/A LEU 253.A N LEU 250.A O no hydrogen 3.224 N/A LEU 254.A N LEU 250.A O no hydrogen 2.975 N/A ASN 257.A ND2 GLN 213.A O no hydrogen 2.773 N/A GLN 260.A N ASN 257.A O no hydrogen 3.052 N/A ARG 261.A N PRO 258.A O no hydrogen 3.371 N/A ARG 261.A NE LYS 255.A O no hydrogen 2.728 N/A ARG 261.A NH1 SER 169.A O no hydrogen 2.923 N/A ARG 261.A NH2 ASP 158.A OD1 no hydrogen 2.599 N/A ARG 261.A NH2 CYS 256.A O no hydrogen 2.963 N/A ILE 262.A N ASN 252.A O no hydrogen 3.026 N/A SER 263.A N GLU 266.A OE1 no hydrogen 3.051 N/A GLU 266.A N SER 263.A OG no hydrogen 3.096 N/A ALA 267.A N SER 263.A O no hydrogen 2.927 N/A LEU 268.A N ALA 264.A O no hydrogen 3.083 N/A GLN 269.A N GLU 266.A O no hydrogen 3.028 N/A HIS 270.A N ALA 267.A O no hydrogen 3.089 N/A HIS 270.A NE2 ASP 248.A OD2 no hydrogen 2.643 N/A TYR 272.A N HIS 270.A ND1 no hydrogen 3.043 N/A PHE 273.A N HIS 270.A O no hydrogen 3.065 N/A SER 274.A N PRO 271.A O no hydrogen 2.868 N/A SER 274.A OG PRO 271.A O no hydrogen 2.865 N/A PHE 276.A N PHE 273.A O no hydrogen 3.215 N/A