Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 66.A OD2 no hydrogen 3.270 N/A SER 4.A OG ASP 66.A OD2 no hydrogen 2.961 N/A VAL 5.A N LYS 31.A O no hydrogen 3.441 N/A GLY 6.A N VAL 67.A O no hydrogen 3.030 N/A PHE 7.A N MET 33.A O no hydrogen 2.705 N/A ILE 8.A N PHE 69.A O no hydrogen 2.707 N/A PHE 15.A N GLY 11.A O no hydrogen 3.281 N/A ALA 16.A N GLN 12.A O no hydrogen 2.503 N/A LEU 17.A N LEU 13.A O no hydrogen 2.778 N/A ALA 18.A N ALA 14.A O no hydrogen 2.613 N/A LYS 19.A N PHE 15.A O no hydrogen 2.628 N/A GLY 20.A N ALA 16.A O no hydrogen 2.946 N/A PHE 21.A N LEU 17.A O no hydrogen 2.670 N/A PHE 21.A N ALA 18.A O no hydrogen 3.126 N/A THR 22.A N ALA 18.A O no hydrogen 3.030 N/A THR 22.A OG1 LYS 19.A O no hydrogen 2.873 N/A ALA 23.A N LYS 19.A O no hydrogen 2.796 N/A ALA 24.A N GLY 20.A O no hydrogen 2.733 N/A GLY 25.A N THR 22.A O no hydrogen 2.630 N/A VAL 26.A N PHE 21.A O no hydrogen 3.304 N/A LYS 31.A N ALA 28.A O no hydrogen 2.603 N/A ILE 32.A N ALA 29.A O no hydrogen 3.215 N/A MET 33.A N VAL 5.A O no hydrogen 2.919 N/A ALA 34.A N LYS 53.A O no hydrogen 2.965 N/A SER 35.A N PHE 7.A O no hydrogen 3.068 N/A SER 35.A OG ILE 8.A O no hydrogen 2.441 N/A SER 36.A N THR 55.A O no hydrogen 2.781 N/A SER 36.A OG SER 36.A O no hydrogen 2.621 N/A MET 39.A N PRO 37.A O no hydrogen 2.662 N/A ALA 46.A N ALA 42.A O no hydrogen 2.802 N/A LEU 47.A N THR 43.A O no hydrogen 3.017 N/A ARG 48.A N VAL 44.A O no hydrogen 2.775 N/A LYS 49.A N SER 45.A O no hydrogen 2.706 N/A MET 50.A N LEU 47.A O no hydrogen 2.757 N/A GLY 51.A N LEU 47.A O no hydrogen 2.921 N/A GLY 51.A N ARG 48.A O no hydrogen 2.934 N/A VAL 52.A N LEU 47.A O no hydrogen 3.293 N/A LYS 53.A N ILE 32.A O no hydrogen 2.924 N/A THR 55.A N ALA 34.A O no hydrogen 3.114 N/A THR 55.A OG1 GLU 60.A OE1 no hydrogen 2.605 N/A HIS 57.A N THR 55.A OG1 no hydrogen 3.158 N/A LYS 59.A NZ HIS 57.A ND1 no hydrogen 3.044 N/A LYS 59.A NZ ASN 58.A OD1 no hydrogen 3.428 N/A THR 61.A N HIS 57.A O no hydrogen 3.473 N/A GLN 63.A N LYS 59.A O no hydrogen 3.058 N/A GLN 63.A N GLU 60.A O no hydrogen 3.171 N/A HIS 64.A N GLU 60.A O no hydrogen 2.796 N/A SER 65.A N THR 61.A O no hydrogen 2.849 N/A SER 65.A OG THR 61.A O no hydrogen 2.877 N/A SER 65.A OG VAL 62.A O no hydrogen 3.519 N/A ASP 66.A N SER 4.A O no hydrogen 2.695 N/A VAL 67.A N SER 4.A O no hydrogen 2.902 N/A LEU 68.A N ILE 93.A O no hydrogen 2.690 N/A PHE 69.A N GLY 6.A O no hydrogen 2.659 N/A LEU 70.A N VAL 95.A O no hydrogen 2.891 N/A ILE 76.A N LYS 73.A O no hydrogen 2.960 N/A ILE 77.A N LYS 73.A O no hydrogen 3.239 N/A ILE 80.A N ILE 77.A O no hydrogen 2.919 N/A LEU 81.A N ILE 77.A O no hydrogen 3.090 N/A ASP 82.A N PRO 78.A O no hydrogen 3.457 N/A GLU 83.A N ILE 80.A O no hydrogen 2.460 N/A GLY 85.A N LEU 81.A O no hydrogen 2.708 N/A ASP 87.A N ILE 84.A O no hydrogen 2.444 N/A ILE 88.A N GLY 85.A O no hydrogen 3.092 N/A VAL 94.A N ARG 118.A O no hydrogen 3.003 N/A VAL 95.A N LEU 68.A O no hydrogen 2.648 N/A SER 96.A N ILE 120.A O no hydrogen 3.031 N/A CYS 97.A N LEU 70.A O no hydrogen 3.430 N/A VAL 101.A N ALA 99.A O no hydrogen 2.710 N/A ILE 103.A N GLU 166.A OE1 no hydrogen 2.678 N/A SER 105.A OG THR 102.A O no hydrogen 2.370 N/A ILE 106.A N ILE 103.A O no hydrogen 2.607 N/A GLU 107.A N ILE 103.A O no hydrogen 2.889 N/A LYS 108.A N SER 104.A O no hydrogen 2.752 N/A LYS 109.A N GLU 107.A O no hydrogen 2.714 N/A LYS 109.A NZ ASP 82.A OD1 no hydrogen 2.992 N/A LYS 109.A NZ ASP 82.A OD2 no hydrogen 2.365 N/A LEU 110.A N ILE 106.A O no hydrogen 2.742 N/A LEU 110.A N GLU 107.A O no hydrogen 2.890 N/A SER 111.A OG GLU 107.A O no hydrogen 3.462 N/A ARG 114.A N LEU 110.A O no hydrogen 3.462 N/A ARG 118.A NH1 ASP 90.A O no hydrogen 3.036 N/A ARG 118.A NH2 ASP 147.A OD1 no hydrogen 2.488 N/A ILE 120.A N VAL 94.A O no hydrogen 2.938 N/A ARG 121.A N ALA 138.A O no hydrogen 2.961 N/A ARG 121.A NH1 GLU 166.A OE1 no hydrogen 3.346 N/A CYS 122.A N SER 96.A O no hydrogen 2.590 N/A MET 123.A N VAL 136.A O no hydrogen 3.124 N/A THR 124.A OG1 THR 135.A OG1 no hydrogen 3.238 N/A ASN 125.A ND2 ASN 125.A O no hydrogen 2.623 N/A VAL 128.A N ASN 125.A O no hydrogen 2.874 N/A VAL 129.A N THR 126.A O no hydrogen 2.645 N/A VAL 130.A N PRO 127.A O no hydrogen 3.057 N/A ARG 131.A N PRO 127.A O no hydrogen 3.280 N/A ARG 131.A NE SER 157.A O no hydrogen 2.509 N/A ARG 131.A NH2 SER 157.A O no hydrogen 3.544 N/A GLU 132.A N PRO 127.A O no hydrogen 3.186 N/A THR 135.A N PHE 160.A O no hydrogen 2.835 N/A THR 135.A OG1 THR 124.A OG1 no hydrogen 3.238 N/A VAL 136.A N MET 123.A O no hydrogen 3.085 N/A TYR 137.A N THR 162.A O no hydrogen 3.136 N/A ALA 138.A N ARG 121.A O no hydrogen 3.030 N/A GLY 140.A N VAL 119.A O no hydrogen 2.703 N/A THR 141.A N GLU 107.A OE2 no hydrogen 2.912 N/A THR 141.A OG1 GLU 107.A OE1 no hydrogen 2.717 N/A THR 141.A OG1 GLU 107.A OE2 no hydrogen 3.013 N/A ASP 147.A N GLN 144.A O no hydrogen 2.732 N/A LEU 150.A N GLU 146.A O no hydrogen 3.295 N/A MET 151.A N ASP 147.A O no hydrogen 2.638 N/A GLU 152.A N GLY 148.A O no hydrogen 3.068 N/A GLN 153.A N ARG 149.A O no hydrogen 2.654 N/A LEU 154.A N LEU 150.A O no hydrogen 2.499 N/A LEU 155.A N MET 151.A O no hydrogen 2.895 N/A SER 157.A OG LEU 154.A O no hydrogen 2.498 N/A VAL 158.A N LEU 155.A O no hydrogen 2.689 N/A PHE 160.A N GLY 133.A O no hydrogen 2.880 N/A CYS 161.A SG GLU 152.A O no hydrogen 3.970 N/A THR 162.A OG1 GLU 163.A O no hydrogen 3.298 N/A VAL 164.A N TYR 137.A O no hydrogen 2.673 N/A ILE 169.A N GLU 166.A O no hydrogen 2.915 N/A ALA 171.A N LEU 168.A O no hydrogen 2.655 N/A VAL 172.A N LEU 168.A O no hydrogen 3.009 N/A THR 173.A N ILE 169.A O no hydrogen 2.946 N/A THR 173.A OG1 ILE 169.A O no hydrogen 2.726 N/A THR 173.A OG1 ASP 170.A O no hydrogen 2.476 N/A LEU 175.A N VAL 172.A O no hydrogen 3.230 N/A SER 176.A N VAL 172.A O no hydrogen 2.994 N/A SER 176.A OG VAL 172.A O no hydrogen 3.542 N/A GLY 177.A N VAL 172.A O no hydrogen 3.442 N/A SER 178.A N THR 173.A O no hydrogen 2.813 N/A SER 178.A OG SER 263.A OG no hydrogen 2.950 N/A GLY 179.A N LEU 175.A O no hydrogen 2.558 N/A TYR 182.A OH GLY 174.A O no hydrogen 2.928 N/A ALA 183.A N GLY 179.A O no hydrogen 3.015 N/A PHE 184.A N PRO 180.A O no hydrogen 2.756 N/A THR 185.A N ALA 181.A O no hydrogen 2.835 N/A THR 185.A OG1 ALA 181.A O no hydrogen 3.048 N/A ALA 186.A N TYR 182.A O no hydrogen 2.766 N/A LEU 187.A N ALA 183.A O no hydrogen 2.803 N/A ASP 188.A N PHE 184.A O no hydrogen 3.152 N/A ALA 189.A N THR 185.A O no hydrogen 3.097 N/A LEU 190.A N ALA 186.A O no hydrogen 2.813 N/A ALA 191.A N LEU 187.A O no hydrogen 2.791 N/A ASP 192.A N ASP 188.A O no hydrogen 3.202 N/A GLY 193.A N ALA 189.A O no hydrogen 2.930 N/A GLY 194.A N LEU 190.A O no hydrogen 2.693 N/A VAL 195.A N ALA 191.A O no hydrogen 2.858 N/A LYS 196.A N ASP 192.A O no hydrogen 2.710 N/A MET 197.A N GLY 194.A O no hydrogen 2.973 N/A GLY 198.A N VAL 195.A O no hydrogen 2.617 N/A ARG 201.A NH1 ASP 192.A OD1 no hydrogen 2.826 N/A ARG 201.A NH2 ASP 188.A O no hydrogen 3.541 N/A ALA 204.A N PRO 200.A O no hydrogen 2.692 N/A VAL 205.A N ARG 201.A O no hydrogen 3.054 N/A LEU 207.A N LEU 203.A O no hydrogen 3.065 N/A LEU 207.A N ALA 204.A O no hydrogen 2.791 N/A GLY 208.A N ALA 204.A O no hydrogen 2.956 N/A ALA 209.A N VAL 205.A O no hydrogen 2.967 N/A GLN 210.A N ARG 206.A O no hydrogen 3.025 N/A ALA 211.A N LEU 207.A O no hydrogen 2.985 N/A ALA 211.A N GLY 208.A O no hydrogen 3.024 N/A LEU 212.A N GLY 208.A O no hydrogen 2.985 N/A LEU 213.A N ALA 209.A O no hydrogen 2.948 N/A GLY 214.A N GLN 210.A O no hydrogen 3.215 N/A ALA 215.A N ALA 211.A O no hydrogen 2.957 N/A ALA 216.A N LEU 212.A O no hydrogen 2.812 N/A LYS 217.A N LEU 213.A O no hydrogen 3.025 N/A MET 218.A N GLY 214.A O no hydrogen 3.203 N/A LEU 219.A N ALA 215.A O no hydrogen 3.196 N/A LEU 220.A N ALA 216.A O no hydrogen 3.122 N/A HIS 221.A N LYS 217.A O no hydrogen 2.863 N/A SER 222.A OG MET 218.A O no hydrogen 3.134 N/A GLY 227.A N HIS 225.A ND1 no hydrogen 2.743 N/A LEU 229.A N HIS 225.A O no hydrogen 3.132 N/A LYS 230.A N PRO 226.A O no hydrogen 2.828 N/A ASP 231.A N GLY 227.A O no hydrogen 3.169 N/A ASN 232.A N GLN 228.A O no hydrogen 3.000 N/A VAL 233.A N LYS 230.A O no hydrogen 2.962 N/A SER 234.A N ASP 231.A O no hydrogen 3.189 N/A SER 234.A OG LYS 230.A O no hydrogen 3.180 N/A LEU 244.A N THR 240.A O no hydrogen 2.667 N/A HIS 245.A N ILE 241.A O no hydrogen 3.023 N/A VAL 246.A N HIS 242.A O no hydrogen 3.200 N/A LEU 247.A N ALA 243.A O no hydrogen 3.171 N/A GLU 248.A N LEU 244.A O no hydrogen 2.725 N/A SER 249.A N HIS 245.A O no hydrogen 2.636 N/A SER 249.A OG HIS 245.A O no hydrogen 2.678 N/A GLY 250.A N VAL 246.A O no hydrogen 3.089 N/A PHE 252.A N LEU 247.A O no hydrogen 3.412 N/A ARG 253.A NH1 GLU 248.A OE1 no hydrogen 2.737 N/A LEU 255.A N GLY 251.A O no hydrogen 2.926 N/A LEU 256.A N ARG 253.A O no hydrogen 2.437 N/A ILE 257.A N ARG 253.A O no hydrogen 3.078 N/A ASN 258.A N SER 254.A O no hydrogen 2.972 N/A ALA 259.A N LEU 255.A O no hydrogen 3.325 N/A ALA 259.A N LEU 256.A O no hydrogen 3.124 N/A VAL 260.A N LEU 256.A O no hydrogen 3.006 N/A GLU 261.A N ILE 257.A O no hydrogen 2.860 N/A ALA 262.A N ASN 258.A O no hydrogen 2.832 N/A SER 263.A N ALA 259.A O no hydrogen 2.851 N/A SER 263.A OG SER 178.A OG no hydrogen 2.950 N/A CYS 264.A N VAL 260.A O no hydrogen 2.789 N/A CYS 264.A SG ASP 170.A O no hydrogen 3.341 N/A ILE 265.A N GLU 261.A O no hydrogen 2.768 N/A ARG 266.A N ALA 262.A O no hydrogen 2.841 N/A THR 267.A N SER 263.A O no hydrogen 3.117 N/A THR 267.A OG1 SER 263.A O no hydrogen 3.522 N/A ARG 268.A N CYS 264.A O no hydrogen 2.907 N/A GLU 269.A N ILE 265.A O no hydrogen 3.061 N/A LEU 270.A N ARG 266.A O no hydrogen 2.871 N/A GLN 271.A N THR 267.A O no hydrogen 3.379 N/A GLN 271.A NE2 ASP 170.A OD2 no hydrogen 3.566 N/A GLN 271.A NE2 SER 272.A OG no hydrogen 3.104 N/A SER 272.A N ARG 268.A O no hydrogen 2.891 N/A SER 272.A OG ARG 268.A O no hydrogen 3.232 N/A ALA 274.A N GLN 271.A O no hydrogen 2.907 N/A