Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3grk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ALA 30.A O no hydrogen 3.057 N/A GLN 4.A N GLY 1.A O no hydrogen 3.192 N/A LYS 6.A N LEU 3.A O no hydrogen 3.276 N/A LYS 6.A NZ ASP 227.A OD1 no hydrogen 3.254 N/A ARG 7.A N ASP 85.A OD2 no hydrogen 2.608 N/A GLY 8.A N GLU 33.A O no hydrogen 2.872 N/A LEU 9.A N PHE 86.A O no hydrogen 3.182 N/A ILE 10.A N ALA 35.A O no hydrogen 2.801 N/A LEU 11.A N VAL 88.A O no hydrogen 2.891 N/A ARG 17.A N ASN 15.A OD1 no hydrogen 2.938 N/A TRP 21.A N SER 18.A OG no hydrogen 2.934 N/A GLY 22.A N SER 18.A O no hydrogen 3.025 N/A ILE 23.A N ILE 19.A O no hydrogen 2.780 N/A ALA 24.A N ALA 20.A O no hydrogen 2.840 N/A LYS 25.A N TRP 21.A O no hydrogen 2.718 N/A ALA 26.A N GLY 22.A O no hydrogen 3.124 N/A ALA 27.A N ILE 23.A O no hydrogen 2.753 N/A ARG 28.A N ALA 24.A O no hydrogen 2.712 N/A ARG 28.A NH1 ALA 32.A O no hydrogen 2.890 N/A GLU 29.A N LYS 25.A O no hydrogen 2.718 N/A ALA 30.A N ALA 26.A O no hydrogen 3.078 N/A GLY 31.A N ARG 28.A O no hydrogen 2.941 N/A ALA 32.A N ALA 27.A O no hydrogen 3.011 N/A GLU 33.A N LYS 6.A O no hydrogen 2.926 N/A ALA 35.A N GLY 8.A O no hydrogen 2.872 N/A PHE 36.A N PHE 57.A O no hydrogen 2.883 N/A TYR 38.A N GLY 60.A O no hydrogen 3.388 N/A LYS 44.A N GLY 40.A O no hydrogen 3.249 N/A VAL 47.A N LEU 43.A O no hydrogen 2.862 N/A GLU 48.A N LYS 44.A O no hydrogen 3.267 N/A ALA 51.A N VAL 47.A O no hydrogen 2.736 N/A GLU 52.A N GLU 48.A O no hydrogen 2.964 N/A GLU 53.A N PRO 49.A O no hydrogen 3.017 N/A LEU 54.A N ALA 51.A O no hydrogen 3.157 N/A GLY 55.A N GLU 52.A O no hydrogen 3.228 N/A ALA 56.A N ALA 51.A O no hydrogen 2.749 N/A PHE 57.A N LEU 34.A O no hydrogen 3.053 N/A ALA 59.A N PHE 36.A O no hydrogen 2.847 N/A CYS 62.A N TYR 38.A O no hydrogen 2.725 N/A ALA 65.A N ASP 63.A OD1 no hydrogen 3.233 N/A ASP 66.A N ASP 63.A O no hydrogen 2.674 N/A ALA 68.A N ASP 66.A OD1 no hydrogen 3.003 N/A SER 69.A OG HIS 61.A NE2 no hydrogen 3.334 N/A ASP 71.A N ALA 67.A O no hydrogen 3.271 N/A ALA 72.A N ALA 68.A O no hydrogen 2.996 N/A VAL 73.A N SER 69.A O no hydrogen 3.030 N/A PHE 74.A N ILE 70.A O no hydrogen 3.152 N/A GLU 75.A N ASP 71.A O no hydrogen 2.744 N/A THR 76.A N ALA 72.A O no hydrogen 2.730 N/A THR 76.A OG1 ALA 72.A O no hydrogen 3.214 N/A LEU 77.A N VAL 73.A O no hydrogen 2.810 N/A GLU 78.A N PHE 74.A O no hydrogen 3.031 N/A LYS 79.A N GLU 75.A O no hydrogen 2.992 N/A LYS 80.A N THR 76.A O no hydrogen 2.953 N/A TRP 81.A N LEU 77.A O no hydrogen 2.965 N/A GLY 82.A N LEU 77.A O no hydrogen 3.336 N/A LEU 84.A N LEU 132.A O no hydrogen 3.026 N/A ASP 85.A N ARG 7.A O no hydrogen 2.817 N/A PHE 86.A N ARG 7.A O no hydrogen 3.368 N/A LEU 87.A N SER 138.A O no hydrogen 2.976 N/A VAL 88.A N LEU 9.A O no hydrogen 2.811 N/A HIS 89.A N LEU 140.A O no hydrogen 2.695 N/A HIS 89.A ND1 THR 141.A OG1 no hydrogen 2.848 N/A HIS 89.A NE2 SER 121.A OG no hydrogen 2.865 N/A ALA 90.A N LEU 11.A O no hydrogen 2.981 N/A PHE 93.A N SER 118.A OG no hydrogen 3.304 N/A SER 94.A OG ASN 110.A OD1 no hydrogen 3.138 N/A SER 94.A OG THR 114.A OG1 no hydrogen 2.922 N/A ASP 95.A N ASN 110.A OD1 no hydrogen 3.070 N/A LEU 99.A N ASP 95.A O no hydrogen 3.384 N/A THR 100.A N ASP 97.A O no hydrogen 3.176 N/A THR 100.A OG1 ASP 97.A O no hydrogen 2.575 N/A GLY 101.A N GLU 98.A O no hydrogen 3.393 N/A ARG 102.A NH1 ASP 105.A OD2 no hydrogen 3.371 N/A ASP 105.A N ARG 102.A O no hydrogen 3.029 N/A THR 106.A N TYR 103.A O no hydrogen 2.912 N/A THR 106.A OG1 TYR 103.A O no hydrogen 2.363 N/A SER 107.A N GLU 98.A OE1 no hydrogen 3.061 N/A SER 107.A OG GLU 98.A OE2 no hydrogen 2.636 N/A ASN 110.A N SER 107.A OG no hydrogen 3.276 N/A ASN 110.A ND2 GLU 98.A OE1 no hydrogen 2.724 N/A PHE 111.A N SER 107.A O no hydrogen 2.886 N/A THR 112.A N GLU 108.A O no hydrogen 2.791 N/A THR 112.A OG1 GLU 108.A O no hydrogen 3.122 N/A ASN 113.A N ALA 109.A O no hydrogen 2.807 N/A THR 114.A N ASN 110.A O no hydrogen 2.876 N/A THR 114.A OG1 PHE 93.A O no hydrogen 3.565 N/A THR 114.A OG1 SER 94.A OG no hydrogen 2.922 N/A THR 114.A OG1 ASN 110.A O no hydrogen 2.449 N/A MET 115.A N PHE 111.A O no hydrogen 3.068 N/A LEU 116.A N THR 112.A O no hydrogen 2.789 N/A ILE 117.A N ASN 113.A O no hydrogen 2.942 N/A SER 118.A N THR 114.A O no hydrogen 2.730 N/A SER 118.A OG THR 114.A O no hydrogen 2.978 N/A VAL 119.A N MET 115.A O no hydrogen 3.024 N/A TYR 120.A N MET 115.A O no hydrogen 3.022 N/A SER 121.A N LEU 116.A O no hydrogen 3.032 N/A SER 121.A OG HIS 89.A NE2 no hydrogen 2.865 N/A SER 121.A OG ILE 117.A O no hydrogen 2.301 N/A ALA 124.A N TYR 120.A O no hydrogen 2.755 N/A VAL 125.A N SER 121.A O no hydrogen 2.803 N/A SER 126.A N LEU 122.A O no hydrogen 2.833 N/A SER 126.A OG LEU 122.A O no hydrogen 2.729 N/A ARG 127.A N THR 123.A O no hydrogen 3.096 N/A ARG 127.A NH1 TYR 120.A OH no hydrogen 3.445 N/A ARG 127.A NH2 TYR 120.A OH no hydrogen 3.040 N/A ARG 128.A N ALA 124.A O no hydrogen 3.472 N/A ARG 128.A NE ASP 71.A OD1 no hydrogen 3.009 N/A ARG 128.A NH1 ALA 124.A O no hydrogen 2.920 N/A ARG 128.A NH2 ALA 67.A O no hydrogen 3.363 N/A ARG 128.A NH2 ASP 71.A OD2 no hydrogen 3.561 N/A ALA 129.A N VAL 125.A O no hydrogen 2.720 N/A GLU 130.A N SER 126.A O no hydrogen 3.017 N/A LYS 131.A N ARG 128.A O no hydrogen 3.028 N/A MET 133.A N GLU 130.A O no hydrogen 3.066 N/A GLY 136.A N MET 133.A O no hydrogen 2.625 N/A GLY 137.A N ASN 179.A O no hydrogen 3.041 N/A SER 138.A N ASP 85.A O no hydrogen 3.004 N/A SER 138.A OG PHE 224.A O no hydrogen 2.862 N/A ILE 139.A N ARG 181.A O no hydrogen 2.552 N/A LEU 140.A N LEU 87.A O no hydrogen 2.888 N/A THR 141.A N ASN 183.A O no hydrogen 2.884 N/A THR 141.A OG1 HIS 89.A ND1 no hydrogen 2.848 N/A THR 141.A OG1 HIS 89.A O no hydrogen 3.146 N/A THR 143.A N ILE 185.A O no hydrogen 2.805 N/A THR 143.A OG1 GLU 165.A OE2 no hydrogen 2.518 N/A TYR 144.A N THR 143.A OG1 no hydrogen 2.741 N/A ALA 147.A N TYR 144.A O no hydrogen 2.776 N/A GLU 148.A N TYR 145.A O no hydrogen 2.833 N/A LYS 149.A N TYR 145.A O no hydrogen 3.028 N/A ASN 153.A ND2 ASP 194.A OD2 no hydrogen 3.396 N/A ASN 155.A ND2 GLU 98.A O no hydrogen 2.851 N/A ASN 155.A ND2 GLY 101.A O no hydrogen 2.752 N/A MET 157.A N TYR 154.A O no hydrogen 2.974 N/A ALA 160.A N VAL 156.A O no hydrogen 2.854 N/A LYS 161.A N MET 157.A O no hydrogen 2.663 N/A LYS 161.A NZ LEU 142.A O no hydrogen 2.934 N/A ALA 162.A N GLY 158.A O no hydrogen 2.797 N/A ALA 163.A N VAL 159.A O no hydrogen 3.208 N/A LEU 164.A N ALA 160.A O no hydrogen 2.873 N/A GLU 165.A N LYS 161.A O no hydrogen 2.814 N/A ALA 166.A N ALA 162.A O no hydrogen 2.985 N/A SER 167.A N ALA 163.A O no hydrogen 2.674 N/A SER 167.A OG LEU 164.A O no hydrogen 2.669 N/A VAL 168.A N LEU 164.A O no hydrogen 2.837 N/A LYS 169.A N GLU 165.A O no hydrogen 3.370 N/A TYR 170.A N ALA 166.A O no hydrogen 3.220 N/A LEU 171.A N SER 167.A O no hydrogen 2.750 N/A ALA 172.A N VAL 168.A O no hydrogen 2.829 N/A VAL 173.A N LYS 169.A O no hydrogen 3.188 N/A ASP 174.A N TYR 170.A O no hydrogen 2.974 N/A LEU 175.A N LEU 171.A O no hydrogen 2.772 N/A GLY 176.A N ALA 172.A O no hydrogen 2.882 N/A GLN 178.A N LEU 175.A O no hydrogen 3.107 N/A GLN 178.A NE2 GLU 130.A OE2 no hydrogen 2.329 N/A ASN 179.A N GLY 176.A O no hydrogen 2.825 N/A ILE 180.A N LEU 175.A O no hydrogen 3.101 N/A ARG 181.A N GLY 137.A O no hydrogen 2.884 N/A ARG 181.A NH1 PHE 224.A O no hydrogen 3.215 N/A ARG 181.A NH1 VAL 232.A O no hydrogen 3.391 N/A ARG 181.A NH2 PHE 224.A O no hydrogen 2.862 N/A VAL 182.A N THR 233.A OG1 no hydrogen 3.017 N/A ASN 183.A N ILE 139.A O no hydrogen 2.899 N/A ASN 183.A ND2 VAL 232.A O no hydrogen 3.137 N/A ALA 184.A N GLU 235.A O no hydrogen 2.865 N/A ILE 185.A N THR 141.A O no hydrogen 2.923 N/A SER 186.A N HIS 237.A O no hydrogen 2.619 N/A ALA 187.A N THR 143.A O no hydrogen 3.021 N/A GLY 188.A N ALA 239.A O no hydrogen 3.111 N/A LEU 199.A N PHE 195.A O no hydrogen 2.994 N/A LYS 200.A N ARG 196.A O no hydrogen 2.948 N/A TRP 201.A N TYR 197.A O no hydrogen 2.805 N/A ASN 202.A N ILE 198.A O no hydrogen 3.046 N/A ASN 202.A ND2 ILE 198.A O no hydrogen 3.028 N/A GLU 203.A N LEU 199.A O no hydrogen 2.914 N/A TYR 204.A N LYS 200.A O no hydrogen 3.002 N/A ASN 205.A N TRP 201.A O no hydrogen 2.892 N/A ALA 206.A N ASN 202.A O no hydrogen 2.843 N/A LEU 208.A N SER 241.A O no hydrogen 3.174 N/A ARG 209.A N ALA 206.A O no hydrogen 2.703 N/A ARG 209.A NH1 ALA 206.A O no hydrogen 3.047 N/A THR 213.A N GLU 216.A OE1 no hydrogen 3.173 N/A GLU 216.A N THR 213.A OG1 no hydrogen 3.175 N/A VAL 217.A N THR 213.A O no hydrogen 3.004 N/A GLY 218.A N ILE 214.A O no hydrogen 2.883 N/A ASP 219.A N ASP 215.A O no hydrogen 3.357 N/A VAL 220.A N GLU 216.A O no hydrogen 3.332 N/A GLY 221.A N VAL 217.A O no hydrogen 2.712 N/A LEU 222.A N GLY 218.A O no hydrogen 2.623 N/A TYR 223.A N ASP 219.A O no hydrogen 2.943 N/A PHE 224.A N VAL 220.A O no hydrogen 3.078 N/A LEU 225.A N GLY 221.A O no hydrogen 2.954 N/A SER 226.A N LEU 222.A O no hydrogen 2.804 N/A SER 226.A OG TYR 223.A O no hydrogen 2.675 N/A LEU 228.A N SER 226.A OG no hydrogen 3.113 N/A SER 229.A N SER 226.A O no hydrogen 3.397 N/A SER 229.A OG TYR 223.A O no hydrogen 2.880 N/A SER 229.A OG PHE 224.A O no hydrogen 2.687 N/A SER 229.A OG SER 226.A O no hydrogen 2.993 N/A ARG 230.A N ASP 227.A O no hydrogen 3.269 N/A ARG 230.A NH2 ASP 227.A O no hydrogen 2.811 N/A VAL 232.A N SER 229.A O no hydrogen 2.925 N/A THR 233.A OG1 VAL 182.A O no hydrogen 3.301 N/A GLY 234.A N VAL 182.A O no hydrogen 2.626 N/A GLU 235.A N ASN 183.A OD1 no hydrogen 3.103 N/A HIS 237.A N ALA 184.A O no hydrogen 2.862 N/A HIS 238.A NE2 GLU 148.A OE1 no hydrogen 2.594 N/A ALA 239.A N SER 186.A O no hydrogen 2.750 N/A SER 241.A OG ARG 210.A O no hydrogen 2.838 N/A GLY 242.A N ASP 240.A OD1 no hydrogen 3.003 N/A TYR 243.A N ASP 240.A O no hydrogen 3.000 N/A HIS 244.A N ASP 240.A OD2 no hydrogen 2.817 N/A HIS 244.A ND1 ASP 240.A OD1 no hydrogen 3.028 N/A HIS 244.A ND1 ASP 240.A OD2 no hydrogen 3.114 N/A VAL 245.A N GLY 242.A O no hydrogen 3.154 N/A ILE 246.A N TYR 243.A O no hydrogen 3.063 N/A