Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4grl_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 10.A N ASP 9.A OD2 no hydrogen 3.009 N/A SER 20.A N ASP 39.A O no hydrogen 3.160 N/A SER 20.A OG ASP 39.A O no hydrogen 3.417 N/A GLN 21.A NE2 TYR 105.A O no hydrogen 2.809 N/A SER 24.A OG GLU 169.A OE2 no hydrogen 3.016 N/A ASN 25.A ND2 SER 24.A OG no hydrogen 2.937 N/A LYS 26.A N ARG 123.A O no hydrogen 2.950 N/A THR 28.A N THR 125.A O no hydrogen 3.110 N/A THR 28.A OG1 GLU 29.A O no hydrogen 3.203 N/A LYS 30.A N LEU 127.A O no hydrogen 3.084 N/A LYS 30.A NZ GLU 128.A OE2 no hydrogen 2.809 N/A GLY 31.A N THR 97.A O no hydrogen 2.641 N/A TYR 33.A OH GLU 35.A OE1 no hydrogen 2.408 N/A VAL 34.A N ILE 94.A O no hydrogen 3.157 N/A LEU 36.A N LEU 92.A O no hydrogen 2.948 N/A ASP 39.A N SER 20.A O no hydrogen 3.063 N/A SER 42.A N GLY 16.A O no hydrogen 3.411 N/A HIS 44.A N ILE 41.A O no hydrogen 2.927 N/A HIS 44.A ND1 THR 109.A OG1 no hydrogen 2.427 N/A THR 45.A N ALA 111.A O no hydrogen 3.315 N/A THR 45.A OG1 ALA 111.A O no hydrogen 2.432 N/A ALA 46.A N SER 110.A O no hydrogen 3.135 N/A LEU 47.A N PHE 64.A O no hydrogen 3.010 N/A TYR 48.A N ALA 108.A O no hydrogen 2.741 N/A TYR 48.A OH GLY 113.A O no hydrogen 2.606 N/A TRP 49.A N ILE 62.A O no hydrogen 3.045 N/A TRP 49.A NE1 SER 90.A OG no hydrogen 2.871 N/A TYR 50.A N LEU 106.A O no hydrogen 2.864 N/A TYR 50.A OH GLN 116.A OE1 no hydrogen 2.698 N/A ARG 51.A N GLU 59.A O no hydrogen 2.814 N/A GLN 52.A N VAL 104.A O no hydrogen 2.835 N/A GLN 52.A NE2 GLN 56.A O no hydrogen 3.154 N/A GLN 56.A N SER 53.A O no hydrogen 3.100 N/A GLU 59.A N ARG 51.A O no hydrogen 2.844 N/A LEU 61.A N TRP 49.A O no hydrogen 3.016 N/A TYR 63.A N ASP 71.A O no hydrogen 2.732 N/A PHE 64.A N LEU 47.A O no hydrogen 2.707 N/A GLN 65.A N GLY 68.A O no hydrogen 2.738 N/A GLN 65.A NE2 TYR 63.A OH no hydrogen 2.663 N/A GLN 65.A NE2 LEU 112.A O no hydrogen 2.893 N/A GLY 66.A N THR 45.A O no hydrogen 2.883 N/A THR 67.A OG1 ARG 84.A O no hydrogen 3.543 N/A GLY 68.A N GLN 65.A O no hydrogen 3.256 N/A ALA 70.A N TYR 63.A O no hydrogen 2.705 N/A ASP 71.A N TYR 63.A O no hydrogen 3.394 N/A SER 73.A N ASP 71.A OD1 no hydrogen 2.853 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.559 N/A GLY 74.A N LEU 61.A O no hydrogen 2.892 N/A LEU 75.A N ASP 72.A O no hydrogen 3.357 N/A ARG 79.A N ASN 77.A OD1 no hydrogen 2.837 N/A ARG 79.A NH2 ASP 101.A OD1 no hydrogen 3.164 N/A PHE 80.A N ASN 77.A O no hydrogen 3.062 N/A PHE 81.A N LYS 93.A O no hydrogen 3.055 N/A VAL 83.A N THR 91.A O no hydrogen 2.829 N/A ARG 84.A NE GLY 66.A O no hydrogen 2.871 N/A ARG 84.A NH1 SER 88.A O no hydrogen 3.035 N/A ARG 84.A NH2 GLY 66.A O no hydrogen 3.237 N/A GLY 87.A N ARG 84.A O no hydrogen 2.789 N/A SER 90.A N CYS 38.A O no hydrogen 3.220 N/A SER 90.A OG VAL 83.A O no hydrogen 2.804 N/A THR 91.A N VAL 83.A O no hydrogen 3.022 N/A LEU 92.A N LEU 36.A O no hydrogen 2.996 N/A LYS 93.A N PHE 81.A O no hydrogen 2.716 N/A ILE 94.A N VAL 34.A O no hydrogen 2.987 N/A GLN 95.A N ARG 79.A O no hydrogen 2.900 N/A THR 97.A OG1 ASP 101.A OD2 no hydrogen 3.443 N/A GLU 98.A N ASP 101.A OD2 no hydrogen 2.931 N/A ASP 101.A N GLU 98.A O no hydrogen 2.981 N/A SER 102.A N ARG 99.A O no hydrogen 3.090 N/A SER 102.A OG ARG 99.A O no hydrogen 3.134 N/A VAL 104.A N GLN 52.A O no hydrogen 3.139 N/A TYR 105.A N THR 122.A O no hydrogen 2.811 N/A TYR 105.A OH ASP 101.A O no hydrogen 3.204 N/A ALA 108.A N TYR 48.A O no hydrogen 2.933 N/A THR 109.A N TYR 117.A O no hydrogen 3.100 N/A THR 109.A OG1 HIS 44.A ND1 no hydrogen 2.427 N/A SER 110.A N ALA 46.A O no hydrogen 2.997 N/A SER 110.A OG THR 115.A O no hydrogen 2.860 N/A GLY 113.A N SER 110.A OG no hydrogen 2.884 N/A TYR 117.A N THR 109.A O no hydrogen 2.890 N/A GLY 119.A N CYS 107.A O no hydrogen 2.699 N/A GLY 121.A N GLN 21.A OE1 no hydrogen 3.287 N/A THR 122.A N TYR 105.A O no hydrogen 3.140 N/A THR 122.A OG1 PRO 23.A O no hydrogen 2.913 N/A ARG 123.A N SER 24.A O no hydrogen 2.767 N/A LEU 124.A N ALA 103.A O no hydrogen 3.056 N/A THR 125.A N LYS 26.A O no hydrogen 2.841 N/A VAL 126.A N SER 102.A OG no hydrogen 2.982 N/A LEU 127.A N THR 28.A O no hydrogen 2.884 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 3.027 N/A ASN 132.A ND2 ASP 198.A O no hydrogen 3.114 N/A VAL 133.A N LEU 130.A O no hydrogen 3.395 N/A PHE 134.A N TYR 164.A O no hydrogen 3.002 N/A GLU 137.A N THR 161.A O no hydrogen 2.694 N/A ALA 139.A N LEU 159.A O no hydrogen 3.086 N/A PHE 141.A N VAL 157.A O no hydrogen 2.863 N/A GLU 147.A N SER 144.A OG no hydrogen 2.654 N/A ILE 148.A N SER 144.A O no hydrogen 3.167 N/A SER 149.A N GLU 145.A O no hydrogen 2.981 N/A SER 149.A OG ALA 146.A O no hydrogen 3.191 N/A HIS 150.A N ALA 146.A O no hydrogen 3.182 N/A THR 151.A N GLU 147.A O no hydrogen 2.945 N/A THR 151.A OG1 GLU 147.A O no hydrogen 3.121 N/A GLN 152.A N ILE 148.A O no hydrogen 3.016 N/A GLN 152.A NE2 SER 149.A O no hydrogen 3.444 N/A LYS 153.A N THR 151.A OG1 no hydrogen 3.060 N/A ALA 154.A N VAL 209.A O no hydrogen 2.796 N/A THR 155.A N GLU 147.A OE1 no hydrogen 3.113 N/A THR 155.A N GLU 147.A OE2 no hydrogen 2.834 N/A THR 155.A OG1 GLU 147.A OE1 no hydrogen 2.783 N/A LEU 156.A N LEU 207.A O no hydrogen 2.830 N/A VAL 157.A N PHE 141.A O no hydrogen 3.215 N/A CYS 158.A N SER 205.A O no hydrogen 3.015 N/A LEU 159.A N ALA 139.A O no hydrogen 2.897 N/A ALA 160.A N LEU 203.A O no hydrogen 2.861 N/A THR 161.A N GLU 137.A O no hydrogen 2.906 N/A GLY 162.A N GLU 192.A OE2 no hydrogen 2.544 N/A PHE 163.A N TYR 201.A O no hydrogen 3.058 N/A TYR 164.A N PHE 134.A O no hydrogen 2.956 N/A GLU 169.A N GLN 226.A O no hydrogen 3.115 N/A SER 171.A N GLN 224.A O no hydrogen 2.816 N/A SER 171.A OG GLN 224.A O no hydrogen 3.488 N/A TRP 172.A NE1 SER 205.A OG no hydrogen 3.058 N/A TRP 173.A N ARG 222.A O no hydrogen 2.789 N/A TRP 173.A NE1 SER 171.A OG no hydrogen 3.044 N/A VAL 174.A N LYS 177.A O no hydrogen 2.902 N/A ASN 175.A N HIS 220.A O no hydrogen 2.753 N/A ASN 175.A ND2 ASN 219.A OD1 no hydrogen 3.034 N/A LYS 177.A N VAL 174.A O no hydrogen 3.139 N/A VAL 179.A N TRP 172.A O no hydrogen 2.813 N/A VAL 183.A N HIS 180.A O no hydrogen 3.140 N/A CYS 184.A N ARG 206.A O no hydrogen 2.833 N/A THR 185.A OG1 SER 205.A OG no hydrogen 3.034 N/A ASP 186.A N SER 204.A O no hydrogen 3.067 N/A LEU 190.A N SER 202.A O no hydrogen 3.099 N/A LYS 191.A NZ LEU 196.A O no hydrogen 2.995 N/A GLU 192.A N ARG 200.A O no hydrogen 2.990 N/A GLN 193.A N SER 199.A OG no hydrogen 3.342 N/A SER 199.A OG GLN 193.A O no hydrogen 3.423 N/A SER 199.A OG ARG 200.A O no hydrogen 3.063 N/A ARG 200.A NE GLY 162.A O no hydrogen 2.894 N/A ARG 200.A NH2 GLY 162.A O no hydrogen 2.938 N/A TYR 201.A N PHE 163.A O no hydrogen 2.559 N/A SER 202.A N LEU 190.A O no hydrogen 3.162 N/A SER 202.A OG GLU 192.A OE2 no hydrogen 2.764 N/A LEU 203.A N ALA 160.A O no hydrogen 2.728 N/A SER 204.A N ASP 186.A OD2 no hydrogen 3.127 N/A SER 204.A OG ASP 186.A OD1 no hydrogen 3.176 N/A SER 204.A OG ASP 186.A OD2 no hydrogen 2.896 N/A SER 205.A N CYS 158.A O no hydrogen 2.929 N/A SER 205.A OG CYS 184.A O no hydrogen 3.380 N/A SER 205.A OG THR 185.A OG1 no hydrogen 3.034 N/A ARG 206.A N CYS 184.A O no hydrogen 2.854 N/A ARG 206.A NH1 CYS 184.A O no hydrogen 3.414 N/A ARG 206.A NH1 ASP 186.A OD1 no hydrogen 3.465 N/A ARG 206.A NH1 SER 204.A OG no hydrogen 3.216 N/A ARG 206.A NH2 ASP 186.A OD1 no hydrogen 3.042 N/A ARG 206.A NH2 SER 204.A OG no hydrogen 3.413 N/A LEU 207.A N LEU 156.A O no hydrogen 3.173 N/A ARG 208.A N GLY 182.A O no hydrogen 2.930 N/A ARG 208.A NE GLU 147.A OE1 no hydrogen 3.000 N/A ARG 208.A NH2 GLU 147.A OE1 no hydrogen 2.913 N/A VAL 209.A N ALA 154.A O no hydrogen 3.011 N/A SER 210.A OG THR 212.A OG1 no hydrogen 3.212 N/A ALA 211.A N GLN 152.A O no hydrogen 3.041 N/A THR 212.A OG1 SER 210.A OG no hydrogen 3.212 N/A PHE 213.A N SER 210.A OG no hydrogen 3.341 N/A TRP 214.A N SER 210.A O no hydrogen 3.023 N/A GLN 215.A N ALA 211.A O no hydrogen 2.819 N/A ASN 216.A N PHE 213.A O no hydrogen 3.481 N/A ARG 218.A N ASN 216.A OD1 no hydrogen 3.017 N/A ASN 219.A N ASN 216.A O no hydrogen 3.066 N/A ASN 219.A ND2 PHE 213.A O no hydrogen 2.958 N/A HIS 220.A N ASN 175.A OD1 no hydrogen 2.969 N/A PHE 221.A N ALA 252.A O no hydrogen 2.777 N/A ARG 222.A N TRP 173.A O no hydrogen 2.685 N/A ARG 222.A NE GLN 224.A OE1 no hydrogen 3.230 N/A ARG 222.A NH1 GLU 251.A OE2 no hydrogen 2.701 N/A CYS 223.A N ALA 250.A O no hydrogen 2.901 N/A GLN 224.A N SER 171.A O no hydrogen 2.734 N/A VAL 225.A N VAL 248.A O no hydrogen 2.777 N/A GLN 226.A N GLU 169.A O no hydrogen 2.817 N/A PHE 227.A N GLN 246.A O no hydrogen 2.941 N/A TYR 228.A OH GLU 169.A OE1 no hydrogen 2.336 N/A GLY 229.A N THR 245.A OG1 no hydrogen 2.921 N/A LEU 230.A N PRO 243.A O no hydrogen 3.161 N/A SER 231.A N ASP 234.A OD1 no hydrogen 2.331 N/A SER 231.A OG ASN 233.A OD1 no hydrogen 3.558 N/A ASP 234.A N SER 231.A O no hydrogen 3.283 N/A TRP 236.A NE1 ARG 240.A O no hydrogen 2.891 N/A GLN 238.A NE2 THR 237.A O no hydrogen 3.211 N/A ARG 240.A N GLN 238.A O no hydrogen 2.819 N/A ARG 240.A NH1 VAL 133.A O no hydrogen 3.334 N/A ARG 240.A NH2 VAL 133.A O no hydrogen 2.733 N/A LYS 242.A NZ GLU 232.A O no hydrogen 2.593 N/A LYS 242.A NZ ASP 234.A O no hydrogen 3.219 N/A VAL 244.A N LYS 242.A O no hydrogen 2.785 N/A THR 245.A N LEU 230.A O no hydrogen 3.147 N/A THR 245.A OG1 GLY 229.A O no hydrogen 3.335 N/A GLN 246.A N PHE 227.A O no hydrogen 2.984 N/A VAL 248.A N VAL 225.A O no hydrogen 2.868 N/A ALA 250.A N CYS 223.A O no hydrogen 3.153 N/A ALA 252.A N PHE 221.A O no hydrogen 2.864 N/A GLY 254.A N ASN 219.A O no hydrogen 3.057 N/A ARG 255.A N TRP 214.A O no hydrogen 3.156 N/A