Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8q57_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ILE 73.A O no hydrogen 3.330 N/A SER 2.A OG VAL 75.A O no hydrogen 2.743 N/A TYR 3.A OH ASP 67.A OD1 no hydrogen 2.552 N/A VAL 4.A N VAL 77.A O no hydrogen 2.950 N/A SER 5.A OG ASN 128.A O no hydrogen 3.546 N/A GLY 6.A N GLN 99.A O no hydrogen 3.077 N/A ASN 7.A N SER 5.A OG no hydrogen 3.003 N/A LEU 9.A N SER 5.A O no hydrogen 3.165 N/A ILE 10.A N GLY 6.A O no hydrogen 2.893 N/A GLN 11.A N ASN 7.A O no hydrogen 2.915 N/A GLN 11.A NE2 ASN 7.A OD1 no hydrogen 2.861 N/A GLN 11.A NE2 ASP 160.A O no hydrogen 3.650 N/A HIS 12.A N THR 8.A O no hydrogen 3.318 N/A HIS 12.A ND1 TYR 18.A OH no hydrogen 2.691 N/A ALA 13.A N LEU 9.A O no hydrogen 3.021 N/A TRP 14.A N ILE 10.A O no hydrogen 2.873 N/A GLN 15.A N GLN 11.A O no hydrogen 2.910 N/A HIS 16.A N ALA 13.A O no hydrogen 3.076 N/A HIS 16.A ND1 HIS 12.A O no hydrogen 2.813 N/A TYR 18.A N ALA 13.A O no hydrogen 3.042 N/A TYR 18.A OH HIS 12.A ND1 no hydrogen 2.691 N/A ALA 19.A N PHE 268.A O no hydrogen 3.002 N/A ILE 20.A N ALA 217.A O no hydrogen 2.859 N/A ALA 22.A N VAL 219.A O no hydrogen 2.911 N/A PHE 23.A N MET 46.A O no hydrogen 2.848 N/A SER 24.A N VAL 221.A O no hydrogen 3.218 N/A VAL 25.A N GLN 48.A O no hydrogen 2.977 N/A HIS 26.A N THR 30.A OG1 no hydrogen 2.899 N/A HIS 26.A NE2 ASP 222.A OD1 no hydrogen 2.839 N/A ASN 27.A N THR 30.A OG1 no hydrogen 2.893 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.841 N/A THR 30.A N ASN 27.A OD1 no hydrogen 2.976 N/A THR 30.A OG1 ASN 27.A O no hydrogen 3.051 N/A THR 30.A OG1 ASN 27.A OD1 no hydrogen 2.802 N/A ILE 31.A N ASN 27.A O no hydrogen 3.155 N/A ARG 32.A N ALA 28.A O no hydrogen 3.000 N/A ARG 32.A NH1 ASP 72.A OD2 no hydrogen 3.066 N/A ARG 32.A NH2 ASP 72.A OD1 no hydrogen 3.052 N/A ALA 33.A N GLU 29.A O no hydrogen 2.874 N/A ILE 34.A N THR 30.A O no hydrogen 3.210 N/A LEU 35.A N ILE 31.A O no hydrogen 2.992 N/A LEU 36.A N ARG 32.A O no hydrogen 2.884 N/A ALA 37.A N ALA 33.A O no hydrogen 3.039 N/A ALA 38.A N ILE 34.A O no hydrogen 2.931 N/A GLU 39.A N LEU 35.A O no hydrogen 2.856 N/A GLN 40.A N LEU 36.A O no hydrogen 2.977 N/A GLN 40.A NE2 GLU 41.A OE2 no hydrogen 2.997 N/A GLU 41.A N ALA 37.A O no hydrogen 2.987 N/A GLN 42.A N GLU 39.A O no hydrogen 3.300 N/A ALA 43.A N ALA 38.A O no hydrogen 3.021 N/A VAL 45.A N PRO 76.A O no hydrogen 3.057 N/A MET 46.A N GLY 21.A O no hydrogen 3.003 N/A LEU 47.A N CYS 78.A O no hydrogen 2.898 N/A GLN 48.A N PHE 23.A O no hydrogen 2.855 N/A GLN 48.A NE2 SER 24.A OG no hydrogen 3.176 N/A ILE 49.A N HIS 80.A O no hydrogen 2.813 N/A GLN 51.A NE2 ASP 82.A O no hydrogen 2.942 N/A GLN 51.A NE2 GLN 89.A OE1 no hydrogen 2.879 N/A ILE 54.A N GLY 50.A O no hydrogen 3.083 N/A SER 55.A N GLN 51.A O no hydrogen 3.025 N/A SER 55.A OG LYS 52.A O no hydrogen 2.734 N/A VAL 56.A N LYS 52.A O no hydrogen 3.096 N/A VAL 56.A N VAL 53.A O no hydrogen 3.181 N/A MET 57.A N VAL 53.A O no hydrogen 2.748 N/A GLY 58.A N VAL 53.A O no hydrogen 3.364 N/A MET 62.A N GLY 58.A O no hydrogen 3.257 N/A LYS 63.A N LEU 59.A O no hydrogen 3.066 N/A LYS 63.A NZ ASP 67.A OD1 no hydrogen 2.861 N/A LYS 63.A NZ ASP 67.A OD2 no hydrogen 3.078 N/A GLU 64.A N LYS 60.A O no hydrogen 2.937 N/A MET 65.A N PRO 61.A O no hydrogen 2.869 N/A ILE 66.A N MET 62.A O no hydrogen 3.010 N/A ASP 67.A N LYS 63.A O no hydrogen 3.047 N/A ALA 68.A N GLU 64.A O no hydrogen 3.024 N/A PHE 69.A N MET 65.A O no hydrogen 3.252 N/A PHE 69.A N ILE 66.A O no hydrogen 2.978 N/A MET 70.A N ASP 67.A O no hydrogen 3.172 N/A HIS 71.A ND1 ALA 68.A O no hydrogen 3.232 N/A ILE 73.A N MET 70.A O no hydrogen 3.091 N/A THR 74.A N GLU 39.A OE1 no hydrogen 2.823 N/A THR 74.A OG1 GLU 39.A OE1 no hydrogen 3.561 N/A THR 74.A OG1 GLU 39.A OE2 no hydrogen 2.739 N/A VAL 75.A N GLU 39.A OE1 no hydrogen 3.396 N/A VAL 77.A N SER 2.A O no hydrogen 3.096 N/A CYS 78.A N VAL 45.A O no hydrogen 3.011 N/A ILE 79.A N GLN 99.A OE1 no hydrogen 2.760 N/A HIS 80.A N LEU 47.A O no hydrogen 2.912 N/A HIS 80.A ND1 SER 100.A OG no hydrogen 2.612 N/A LEU 81.A N SER 100.A O no hydrogen 3.079 N/A ASP 82.A N ILE 49.A O no hydrogen 2.906 N/A HIS 83.A NE2 HIS 198.A ND1 no hydrogen 3.188 N/A SER 84.A N MET 102.A O no hydrogen 3.266 N/A SER 84.A OG SER 86.A O no hydrogen 3.190 N/A SER 84.A OG GLN 89.A OE1 no hydrogen 2.787 N/A SER 84.A OG THR 90.A OG1 no hydrogen 2.943 N/A GLN 89.A N SER 86.A OG no hydrogen 3.003 N/A GLN 89.A NE2 GLN 51.A OE1 no hydrogen 3.015 N/A THR 90.A N SER 86.A O no hydrogen 2.988 N/A THR 90.A OG1 SER 84.A OG no hydrogen 2.943 N/A THR 90.A OG1 SER 86.A O no hydrogen 3.124 N/A MET 91.A N PHE 87.A O no hydrogen 2.887 N/A GLU 92.A N GLU 88.A O no hydrogen 2.948 N/A ALA 93.A N GLN 89.A O no hydrogen 3.091 N/A VAL 94.A N THR 90.A O no hydrogen 3.085 N/A GLN 95.A N MET 91.A O no hydrogen 2.846 N/A ALA 96.A N GLU 92.A O no hydrogen 2.904 N/A GLY 97.A N VAL 94.A O no hydrogen 3.048 N/A PHE 98.A N ALA 93.A O no hydrogen 3.042 N/A GLN 99.A N ILE 79.A O no hydrogen 2.921 N/A SER 100.A N ILE 79.A O no hydrogen 3.168 N/A SER 100.A OG HIS 80.A ND1 no hydrogen 2.612 N/A SER 100.A OG TYR 161.A OH no hydrogen 2.621 N/A VAL 101.A N GLY 130.A O no hydrogen 2.905 N/A MET 102.A N LEU 81.A O no hydrogen 2.867 N/A PHE 103.A N GLU 132.A O no hydrogen 3.168 N/A ASP 104.A N SER 84.A O no hydrogen 2.716 N/A SER 106.A N ASP 104.A OD1 no hydrogen 3.025 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.588 N/A LEU 108.A N GLY 105.A O no hydrogen 2.744 N/A GLU 112.A N SER 109.A OG no hydrogen 3.285 N/A ASN 113.A N SER 109.A O no hydrogen 2.852 N/A ASN 113.A ND2 GLU 134.A O no hydrogen 2.996 N/A VAL 114.A N PHE 110.A O no hydrogen 2.897 N/A ARG 115.A N ASP 111.A O no hydrogen 2.967 N/A ARG 115.A NE GLU 112.A OE1 no hydrogen 2.727 N/A ARG 115.A NH2 GLU 112.A OE1 no hydrogen 3.149 N/A ARG 115.A NH2 GLU 112.A OE2 no hydrogen 2.876 N/A ILE 116.A N GLU 112.A O no hydrogen 3.079 N/A THR 117.A N ASN 113.A O no hydrogen 2.930 N/A THR 117.A OG1 ASN 113.A O no hydrogen 2.798 N/A THR 117.A OG1 ASN 113.A OD1 no hydrogen 2.963 N/A ARG 118.A N VAL 114.A O no hydrogen 2.918 N/A ARG 118.A NE ASP 122.A OD1 no hydrogen 3.024 N/A ARG 118.A NH1 LEU 156.A O no hydrogen 2.987 N/A ALA 119.A N ARG 115.A O no hydrogen 3.199 N/A VAL 120.A N ILE 116.A O no hydrogen 2.963 N/A ALA 121.A N THR 117.A O no hydrogen 2.826 N/A ASP 122.A N ARG 118.A O no hydrogen 2.940 N/A VAL 123.A N ALA 119.A O no hydrogen 3.303 N/A ALA 124.A N VAL 120.A O no hydrogen 2.897 N/A HIS 125.A N ALA 121.A O no hydrogen 2.833 N/A HIS 125.A NE2 THR 158.A O no hydrogen 2.849 N/A HIS 125.A NE2 THR 158.A OG1 no hydrogen 3.177 N/A ALA 126.A N ASP 122.A O no hydrogen 3.086 N/A LEU 127.A N VAL 123.A O no hydrogen 3.145 N/A LEU 127.A N ALA 124.A O no hydrogen 3.164 N/A ASN 128.A N HIS 125.A O no hydrogen 3.333 N/A LEU 129.A N ALA 124.A O no hydrogen 3.017 N/A GLY 130.A N GLN 99.A O no hydrogen 2.915 N/A VAL 131.A N ASP 160.A OD2 no hydrogen 3.058 N/A GLU 132.A N VAL 101.A O no hydrogen 2.895 N/A GLY 133.A N TYR 161.A O no hydrogen 3.451 N/A ILE 135.A N ALA 163.A O no hydrogen 3.134 N/A THR 141.A N HIS 170.A O no hydrogen 2.903 N/A THR 141.A OG1 MET 172.A O no hydrogen 2.435 N/A THR 145.A N SER 165.A O no hydrogen 2.970 N/A THR 145.A OG1 ILE 135.A O no hydrogen 2.926 N/A THR 145.A OG1 SER 165.A O no hydrogen 3.522 N/A CYS 147.A SG GLU 186.A OE1 no hydrogen 3.036 N/A GLU 149.A N SER 146.A OG no hydrogen 3.088 N/A ALA 150.A N SER 146.A O no hydrogen 3.058 N/A LEU 151.A N CYS 147.A O no hydrogen 2.925 N/A LYS 152.A N ALA 148.A O no hydrogen 3.060 N/A PHE 153.A N GLU 149.A O no hydrogen 2.902 N/A SER 154.A N ALA 150.A O no hydrogen 2.901 N/A GLU 155.A N LEU 151.A O no hydrogen 2.969 N/A LEU 156.A N LYS 152.A O no hydrogen 2.959 N/A THR 157.A N PHE 153.A O no hydrogen 2.963 N/A THR 157.A OG1 PHE 153.A O no hydrogen 2.776 N/A THR 157.A OG1 SER 154.A O no hydrogen 3.559 N/A THR 158.A N SER 154.A O no hydrogen 2.998 N/A THR 158.A OG1 HIS 125.A NE2 no hydrogen 3.177 N/A THR 158.A OG1 THR 157.A O no hydrogen 2.513 N/A VAL 159.A N THR 157.A OG1 no hydrogen 3.358 N/A ASP 160.A N VAL 131.A O no hydrogen 2.896 N/A TYR 161.A N VAL 131.A O no hydrogen 3.360 N/A TYR 161.A OH SER 100.A OG no hydrogen 2.621 N/A LEU 162.A N PRO 194.A O no hydrogen 3.042 N/A ALA 163.A N GLY 133.A O no hydrogen 2.832 N/A SER 165.A N THR 145.A OG1 no hydrogen 2.847 N/A SER 165.A OG LYS 137.A O no hydrogen 3.202 N/A SER 165.A OG LEU 143.A O no hydrogen 2.682 N/A THR 168.A OG1 HIS 198.A O no hydrogen 2.664 N/A ALA 169.A N TYR 173.A OH no hydrogen 2.993 N/A HIS 170.A N GLY 139.A O no hydrogen 2.809 N/A HIS 170.A ND1.A GLY 139.A O no hydrogen 3.024 N/A TYR 173.A OH GLY 199.A O no hydrogen 2.714 N/A LEU 179.A N GLN 207.A OE1 no hydrogen 2.939 N/A ALA 180.A N ILE 166.A O no hydrogen 2.851 N/A PHE 181.A N LEU 179.A O no hydrogen 2.957 N/A ARG 183.A NE GLU 186.A OE1 no hydrogen 3.333 N/A ARG 183.A NH1 THR 145.A O no hydrogen 2.821 N/A LEU 184.A N ALA 180.A O no hydrogen 3.014 N/A GLN 185.A N PHE 181.A O no hydrogen 2.990 N/A GLU 186.A N GLU 182.A O no hydrogen 3.079 N/A MET 187.A N ARG 183.A O no hydrogen 3.021 N/A ARG 188.A N LEU 184.A O no hydrogen 3.002 N/A GLU 189.A N GLN 185.A O no hydrogen 3.402 N/A GLU 189.A N GLU 186.A O no hydrogen 3.097 N/A ILE 190.A N GLU 186.A O no hydrogen 2.891 N/A ILE 190.A N MET 187.A O no hydrogen 3.236 N/A VAL 191.A N MET 187.A O no hydrogen 2.717 N/A LYS 192.A N MET 187.A O no hydrogen 3.233 N/A LYS 193.A NZ SER 154.A O no hydrogen 3.135 N/A LYS 193.A NZ SER 154.A OG no hydrogen 2.785 N/A LYS 193.A NZ VAL 159.A O no hydrogen 2.792 N/A ILE 195.A N GLY 215.A O no hydrogen 3.024 N/A VAL 196.A N LEU 162.A O no hydrogen 2.812 N/A LEU 197.A N LYS 218.A O no hydrogen 2.850 N/A HIS 198.A NE2 GLU 132.A OE2 no hydrogen 2.800 N/A GLY 200.A N ASN 220.A O no hydrogen 3.000 N/A GLY 202.A N GLU 224.A OE1 no hydrogen 2.841 N/A VAL 203.A N GLY 200.A O no hydrogen 3.371 N/A GLN 207.A NE2 PRO 177.A O no hydrogen 2.813 N/A ILE 208.A N PRO 204.A O no hydrogen 3.145 N/A ARG 209.A N ASP 205.A O no hydrogen 3.004 N/A ARG 209.A NH2 LEU 267.A O no hydrogen 2.942 N/A ARG 210.A N GLU 206.A O no hydrogen 3.085 N/A ALA 211.A N GLN 207.A O no hydrogen 2.931 N/A ILE 212.A N ILE 208.A O no hydrogen 3.003 N/A THR 213.A N ARG 209.A O no hydrogen 3.285 N/A THR 213.A OG1 ARG 210.A O no hydrogen 2.320 N/A LEU 214.A N ARG 210.A O no hydrogen 3.304 N/A LEU 214.A N ALA 211.A O no hydrogen 3.030 N/A GLY 215.A N ILE 212.A O no hydrogen 3.080 N/A VAL 216.A N ALA 211.A O no hydrogen 3.119 N/A ALA 217.A N ILE 195.A O no hydrogen 2.943 N/A LYS 218.A NZ GLN 48.A OE1 no hydrogen 3.090 N/A LYS 218.A NZ HIS 80.A NE2 no hydrogen 3.390 N/A LYS 218.A NZ GLU 132.A OE1 no hydrogen 2.851 N/A LYS 218.A NZ ASN 220.A OD1 no hydrogen 2.746 N/A VAL 219.A N ILE 20.A O no hydrogen 3.055 N/A ASN 220.A N LEU 197.A O no hydrogen 3.002 N/A VAL 221.A N ALA 22.A O no hydrogen 2.906 N/A GLU 224.A N SER 201.A OG no hydrogen 2.931 N/A LEU 225.A N ASP 222.A O no hydrogen 2.913 N/A ARG 226.A N ASP 222.A O no hydrogen 3.121 N/A ARG 226.A NE ASP 222.A OD1 no hydrogen 2.859 N/A ARG 226.A NH2 ASP 222.A OD2 no hydrogen 3.046 N/A GLN 227.A N THR 223.A O no hydrogen 2.777 N/A ALA 228.A N GLU 224.A O no hydrogen 3.119 N/A PHE 229.A N LEU 225.A O no hydrogen 2.891 N/A THR 230.A N ARG 226.A O no hydrogen 2.930 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.743 N/A GLN 231.A N GLN 227.A O no hydrogen 2.837 N/A GLY 232.A N ALA 228.A O no hydrogen 3.106 N/A VAL 233.A N PHE 229.A O no hydrogen 3.065 N/A SER 234.A N THR 230.A O no hydrogen 2.807 N/A SER 234.A OG THR 230.A O no hydrogen 3.056 N/A GLU 235.A N GLN 231.A O no hydrogen 2.992 N/A VAL 236.A N GLY 232.A O no hydrogen 3.321 N/A LEU 237.A N VAL 233.A O no hydrogen 3.013 N/A ALA 238.A N SER 234.A O no hydrogen 2.857 N/A ALA 239.A N GLU 235.A O no hydrogen 3.277 N/A SER 240.A N VAL 236.A O no hydrogen 2.879 N/A GLU 243.A N SER 240.A O no hydrogen 2.990 N/A VAL 245.A N GLU 243.A OE2 no hydrogen 2.943 N/A VAL 248.A N VAL 245.A O no hydrogen 2.843 N/A SER 249.A N VAL 245.A O no hydrogen 3.151 N/A LEU 250.A N LEU 246.A O no hydrogen 2.830 N/A GLY 251.A N LEU 246.A O no hydrogen 3.259 N/A ARG 252.A N VAL 248.A O no hydrogen 3.004 N/A ARG 252.A NE GLU 235.A OE1 no hydrogen 3.159 N/A ARG 252.A NH2 GLU 235.A OE1 no hydrogen 3.109 N/A GLY 253.A N SER 249.A O no hydrogen 3.329 N/A ARG 254.A N LEU 250.A O no hydrogen 2.869 N/A ASP 255.A N GLY 251.A O no hydrogen 2.895 N/A VAL 256.A N ARG 252.A O no hydrogen 2.908 N/A MET 257.A N GLY 253.A O no hydrogen 2.901 N/A GLN 258.A N ARG 254.A O no hydrogen 2.815 N/A GLN 259.A N ASP 255.A O no hydrogen 3.063 N/A LYS 260.A N VAL 256.A O no hydrogen 3.204 N/A LYS 260.A NZ GLU 224.A OE2 no hydrogen 2.964 N/A LYS 260.A NZ GLU 263.A OE1 no hydrogen 3.140 N/A LYS 260.A NZ GLU 263.A OE2 no hydrogen 3.511 N/A VAL 261.A N MET 257.A O no hydrogen 2.878 N/A ILE 262.A N GLN 258.A O no hydrogen 2.918 N/A GLU 263.A N GLN 259.A O no hydrogen 2.964 N/A LYS 264.A N LYS 260.A O no hydrogen 2.967 N/A LYS 264.A NZ GLU 224.A OE1 no hydrogen 3.004 N/A LYS 264.A NZ GLU 224.A OE2 no hydrogen 3.240 N/A ILE 265.A N VAL 261.A O no hydrogen 2.866 N/A ARG 266.A N ILE 262.A O no hydrogen 3.076 N/A ARG 266.A NE GLU 41.A OE1 no hydrogen 2.921 N/A ARG 266.A NH2 GLU 41.A OE1 no hydrogen 3.490 N/A ARG 266.A NH2 GLU 41.A OE2 no hydrogen 2.972 N/A LEU 267.A N GLU 263.A O no hydrogen 2.971 N/A PHE 268.A N LYS 264.A O no hydrogen 2.844 N/A GLY 269.A N ARG 266.A O no hydrogen 3.017 N/A SER 270.A N ILE 265.A O no hydrogen 3.166 N/A SER 270.A OG ILE 265.A O no hydrogen 3.076 N/A GLY 272.A N GLU 41.A O no hydrogen 2.901 N/A GLN 273.A N SER 270.A O no hydrogen 3.206 N/A GLN 273.A NE2 GLY 269.A O no hydrogen 3.614 N/A ALA 274.A N GLN 42.A O no hydrogen 2.972 N/A ALA 276.A N GLN 273.A O no hydrogen 3.036 N/A PHE 277.A N ALA 274.A O no hydrogen 3.080 N/A