Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8isp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.605 N/A THR 6.A N ALA 2.A O no hydrogen 3.191 N/A THR 6.A OG1 ALA 2.A O no hydrogen 3.317 N/A LEU 7.A N ASP 3.A O no hydrogen 2.842 N/A GLU 8.A N PHE 4.A O no hydrogen 2.754 N/A LYS 9.A N ALA 5.A O no hydrogen 3.278 N/A SER 11.A N LEU 7.A O no hydrogen 3.282 N/A SER 11.A OG GLU 8.A O no hydrogen 2.849 N/A SER 11.A OG GLY 12.A O no hydrogen 2.505 N/A GLY 12.A N GLU 8.A O no hydrogen 3.244 N/A ARG 14.A N GLN 235.A O no hydrogen 2.795 N/A ARG 14.A NH1 GLU 34.A OE1 no hydrogen 2.950 N/A ARG 14.A NH1 ARG 35.A O no hydrogen 3.172 N/A ARG 14.A NH2 ARG 35.A O no hydrogen 3.012 N/A ARG 14.A NH2 GLN 235.A OE1 no hydrogen 2.893 N/A LEU 15.A N GLU 8.A OE2 no hydrogen 2.893 N/A GLY 16.A N TYR 233.A O no hydrogen 2.575 N/A VAL 17.A N HIS 30.A O no hydrogen 2.960 N/A CYS 18.A N SER 231.A O no hydrogen 2.915 N/A LEU 19.A N TYR 28.A O no hydrogen 2.597 N/A TRP 20.A N LEU 229.A O no hydrogen 2.883 N/A HIS 21.A N ALA 26.A O no hydrogen 2.899 N/A HIS 21.A ND1 SER 24.A OG no hydrogen 2.766 N/A HIS 21.A NE2 ALA 226.A O no hydrogen 3.311 N/A SER 24.A N HIS 21.A O no hydrogen 3.238 N/A SER 24.A OG HIS 21.A ND1 no hydrogen 2.766 N/A GLY 25.A N HIS 21.A O no hydrogen 2.672 N/A TYR 28.A N LEU 19.A O no hydrogen 2.776 N/A GLY 29.A N ASP 1.A OD1 no hydrogen 3.308 N/A HIS 30.A N VAL 17.A O no hydrogen 2.857 N/A HIS 30.A NE2 GLU 8.A OE1 no hydrogen 3.315 N/A ARG 31.A NE GLU 8.A OE2 no hydrogen 2.542 N/A ARG 31.A NH1 GLU 34.A OE2 no hydrogen 2.868 N/A ARG 31.A NH2 GLU 8.A OE1 no hydrogen 2.965 N/A GLU 34.A N ARG 31.A O no hydrogen 3.225 N/A ARG 35.A NH1 ILE 129.A O no hydrogen 2.818 N/A ARG 35.A NH1 THR 150.A OG1 no hydrogen 2.929 N/A ARG 35.A NH2 ILE 129.A O no hydrogen 2.992 N/A PHE 36.A N THR 151.A O no hydrogen 2.696 N/A MET 38.A N ASP 149.A O no hydrogen 2.862 N/A CYS 39.A SG ASN 140.A OD1 no hydrogen 3.314 N/A SER 40.A OG SER 100.A OG no hydrogen 3.128 N/A THR 41.A N MET 38.A O no hydrogen 3.230 N/A THR 41.A OG1 MET 38.A O no hydrogen 2.639 N/A THR 41.A OG1 TYR 233.A OH no hydrogen 3.020 N/A VAL 42.A N CYS 39.A O no hydrogen 3.287 N/A LYS 43.A N SER 40.A O no hydrogen 2.980 N/A LYS 43.A NZ SER 40.A OG no hydrogen 3.289 N/A LYS 43.A NZ SER 100.A OG no hydrogen 2.546 N/A LYS 43.A NZ ASN 102.A OD1 no hydrogen 3.008 N/A PHE 44.A N THR 41.A O no hydrogen 3.171 N/A LEU 46.A N VAL 42.A O no hydrogen 3.137 N/A ALA 47.A N LYS 43.A O no hydrogen 3.013 N/A ALA 48.A N PHE 44.A O no hydrogen 3.136 N/A ALA 49.A N PRO 45.A O no hydrogen 2.953 N/A ILE 50.A N LEU 46.A O no hydrogen 3.123 N/A LEU 51.A N ALA 47.A O no hydrogen 2.940 N/A HIS 52.A N ALA 48.A O no hydrogen 2.796 N/A ARG 53.A N ALA 49.A O no hydrogen 3.027 N/A ARG 53.A NH1 ASP 113.A OD2 no hydrogen 3.306 N/A VAL 54.A N ILE 50.A O no hydrogen 2.850 N/A ASP 55.A N LEU 51.A O no hydrogen 2.764 N/A ALA 56.A N HIS 52.A O no hydrogen 3.051 N/A GLY 57.A N VAL 54.A O no hydrogen 3.079 N/A LYS 58.A N ARG 53.A O no hydrogen 3.134 N/A SER 60.A N GLN 63.A OE1 no hydrogen 3.107 N/A ASP 62.A N SER 60.A OG no hydrogen 3.100 N/A GLN 63.A N SER 60.A O no hydrogen 3.256 N/A ARG 64.A NH1 ASP 86.A OD1 no hydrogen 2.980 N/A VAL 65.A N MET 87.A O no hydrogen 2.851 N/A VAL 67.A N LYS 85.A O no hydrogen 2.965 N/A ARG 68.A N ASP 71.A OD2 no hydrogen 2.907 N/A ASP 71.A N ARG 68.A O no hydrogen 2.972 N/A ILE 72.A N GLN 69.A O no hydrogen 3.167 N/A HIS 75.A ND1 HIS 75.A O no hydrogen 2.803 N/A HIS 75.A ND1 SER 100.A O no hydrogen 3.099 N/A SER 76.A OG ILE 73.A O no hydrogen 3.100 N/A SER 76.A OG SER 74.A O no hydrogen 3.557 N/A PHE 78.A N ASP 101.A OD2 no hydrogen 2.925 N/A THR 79.A N ASP 101.A OD2 no hydrogen 2.951 N/A THR 79.A OG1 ASP 101.A OD1 no hydrogen 2.839 N/A THR 79.A OG1 ASP 101.A OD2 no hydrogen 3.283 N/A GLU 80.A N SER 76.A O no hydrogen 3.290 N/A ARG 81.A N PHE 78.A O no hydrogen 3.146 N/A HIS 82.A N THR 79.A O no hydrogen 3.191 N/A GLY 84.A N VAL 67.A O no hydrogen 2.825 N/A LYS 85.A N HIS 82.A O no hydrogen 3.133 N/A LYS 85.A NZ HIS 82.A ND1 no hydrogen 3.071 N/A LYS 85.A NZ ASP 86.A O no hydrogen 3.112 N/A MET 87.A N VAL 65.A O no hydrogen 3.128 N/A VAL 89.A N GLN 63.A O no hydrogen 2.901 N/A ARG 90.A N LEU 61.A O no hydrogen 2.862 N/A ARG 90.A NH1 ASP 62.A OD1 no hydrogen 2.928 N/A ARG 90.A NH2 ASP 62.A OD1 no hydrogen 3.462 N/A ARG 90.A NH2 ASP 62.A OD2 no hydrogen 2.936 N/A ASP 91.A N THR 88.A OG1 no hydrogen 2.980 N/A LEU 92.A N THR 88.A O no hydrogen 2.955 N/A CYS 93.A N VAL 89.A O no hydrogen 2.852 N/A CYS 93.A SG VAL 89.A O no hydrogen 3.559 N/A ARG 94.A N ARG 90.A O no hydrogen 2.968 N/A ARG 94.A NH1 ASP 183.A OD2 no hydrogen 3.371 N/A ARG 94.A NH2 ASP 183.A OD2 no hydrogen 2.897 N/A ALA 95.A N ASP 91.A O no hydrogen 2.925 N/A THR 96.A N LEU 92.A O no hydrogen 3.108 N/A THR 96.A OG1 ASP 101.A O no hydrogen 2.926 N/A LEU 97.A N CYS 93.A O no hydrogen 3.249 N/A LEU 97.A N ARG 94.A O no hydrogen 3.202 N/A ILE 98.A N ARG 94.A O no hydrogen 2.958 N/A SER 100.A OG SER 40.A OG no hydrogen 3.128 N/A ASP 101.A N ALA 95.A O no hydrogen 3.099 N/A ASN 102.A N HIS 75.A O no hydrogen 3.027 N/A ASN 102.A ND2 SER 74.A O no hydrogen 3.097 N/A ALA 103.A N SER 76.A OG no hydrogen 2.868 N/A ALA 104.A N ASP 101.A OD1 no hydrogen 2.910 N/A ALA 105.A N ASN 102.A O no hydrogen 3.172 N/A ASN 106.A N ASN 102.A O no hydrogen 3.335 N/A ASN 106.A ND2 GLN 136.A O no hydrogen 3.048 N/A LEU 107.A N ALA 103.A O no hydrogen 3.007 N/A LEU 108.A N ALA 104.A O no hydrogen 3.060 N/A LEU 109.A N ALA 105.A O no hydrogen 3.024 N/A LEU 111.A N LEU 108.A O no hydrogen 3.081 N/A ILE 112.A N LEU 109.A O no hydrogen 3.113 N/A ASP 113.A N PRO 110.A O no hydrogen 3.246 N/A GLY 114.A N LEU 109.A O no hydrogen 2.773 N/A GLY 117.A N ASP 113.A O no hydrogen 3.081 N/A LEU 118.A N GLY 114.A O no hydrogen 2.967 N/A THR 119.A N PRO 115.A O no hydrogen 2.918 N/A THR 119.A OG1 PRO 115.A O no hydrogen 3.182 N/A THR 119.A OG1 SER 132.A O no hydrogen 2.900 N/A ALA 120.A N ALA 116.A O no hydrogen 2.934 N/A PHE 121.A N GLY 117.A O no hydrogen 2.829 N/A LEU 122.A N LEU 118.A O no hydrogen 2.997 N/A GLN 123.A N THR 119.A O no hydrogen 2.936 N/A ALA 124.A N ALA 120.A O no hydrogen 3.099 N/A GLN 125.A N PHE 121.A O no hydrogen 3.175 N/A GLY 126.A N GLN 123.A O no hydrogen 3.231 N/A ASP 127.A N LEU 122.A O no hydrogen 2.739 N/A ILE 129.A N ASP 127.A OD1 no hydrogen 3.064 N/A THR 130.A N ASP 127.A OD1 no hydrogen 3.099 N/A THR 130.A OG1 ASP 127.A OD1 no hydrogen 3.433 N/A THR 130.A OG1 ASP 127.A OD2 no hydrogen 2.636 N/A THR 130.A OG1 THR 151.A OG1 no hydrogen 2.563 N/A VAL 131.A N THR 150.A O no hydrogen 3.067 N/A SER 132.A N THR 119.A OG1 no hydrogen 2.802 N/A ALA 133.A N ASP 149.A OD1 no hydrogen 2.986 N/A ARG 134.A N ASP 149.A OD1 no hydrogen 2.998 N/A ARG 134.A NE ASP 149.A OD2 no hydrogen 2.720 N/A ARG 134.A NH2 ASP 149.A OD2 no hydrogen 2.735 N/A GLN 136.A N ASN 106.A OD1 no hydrogen 2.822 N/A LEU 139.A N ASN 135.A O no hydrogen 3.025 N/A ASN 140.A N PRO 137.A O no hydrogen 3.180 N/A ASN 140.A ND2 PRO 137.A O no hydrogen 3.455 N/A HIS 141.A N GLU 138.A O no hydrogen 3.155 N/A ASP 146.A N ALA 143.A O no hydrogen 2.967 N/A ARG 148.A N ASP 146.A OD1 no hydrogen 3.266 N/A ARG 148.A NE ASP 146.A OD1 no hydrogen 3.101 N/A ARG 148.A NE ASP 146.A OD2 no hydrogen 3.347 N/A ARG 148.A NH2 ASP 146.A OD2 no hydrogen 2.916 N/A THR 150.A OG1 PRO 147.A O no hydrogen 2.569 N/A THR 151.A N PHE 36.A O no hydrogen 2.844 N/A THR 151.A OG1 THR 130.A OG1 no hydrogen 2.563 N/A THR 151.A OG1 SER 152.A O no hydrogen 3.536 N/A SER 152.A OG MET 32.A O no hydrogen 3.450 N/A ALA 154.A N MET 32.A O no hydrogen 2.847 N/A ALA 155.A N SER 152.A OG no hydrogen 2.834 N/A MET 156.A N SER 152.A O no hydrogen 2.997 N/A ALA 157.A N PRO 153.A O no hydrogen 3.070 N/A GLY 158.A N ALA 154.A O no hydrogen 2.983 N/A ASN 159.A N ALA 155.A O no hydrogen 2.954 N/A ASN 159.A ND2 ASP 127.A OD2 no hydrogen 2.653 N/A LEU 160.A N MET 156.A O no hydrogen 2.997 N/A GLN 161.A N ALA 157.A O no hydrogen 3.172 N/A ARG 162.A N GLY 158.A O no hydrogen 2.861 N/A PHE 163.A N ASN 159.A O no hydrogen 3.034 N/A LEU 164.A N LEU 160.A O no hydrogen 3.129 N/A LEU 165.A N GLN 161.A O no hydrogen 2.905 N/A GLY 166.A N GLN 161.A O no hydrogen 2.741 N/A SER 170.A N ASP 55.A OD2 no hydrogen 2.911 N/A SER 170.A OG ASP 55.A OD1 no hydrogen 3.092 N/A SER 173.A N SER 170.A OG no hydrogen 3.004 N/A SER 173.A OG ASP 55.A OD1 no hydrogen 2.906 N/A SER 173.A OG SER 170.A OG no hydrogen 3.321 N/A ARG 174.A N SER 170.A O no hydrogen 2.846 N/A ARG 174.A NH2 LEU 169.A O no hydrogen 3.107 N/A GLN 175.A N PRO 171.A O no hydrogen 3.255 N/A GLN 175.A NE2 ASP 179.A OD1 no hydrogen 2.876 N/A GLN 176.A N ALA 172.A O no hydrogen 2.983 N/A LEU 177.A N SER 173.A O no hydrogen 2.872 N/A ALA 178.A N ARG 174.A O no hydrogen 3.002 N/A ASP 179.A N GLN 175.A O no hydrogen 2.927 N/A TRP 180.A N GLN 176.A O no hydrogen 3.009 N/A LEU 181.A N LEU 177.A O no hydrogen 3.193 N/A ILE 182.A N ALA 178.A O no hydrogen 2.885 N/A ASP 183.A N ASP 179.A O no hydrogen 2.978 N/A ASN 184.A N LEU 181.A O no hydrogen 3.151 N/A ASN 184.A ND2 ASP 203.A OD1 no hydrogen 2.953 N/A GLN 185.A N ILE 98.A O no hydrogen 2.739 N/A GLN 185.A NE2 ASP 183.A O no hydrogen 3.032 N/A THR 186.A OG1 ASN 184.A OD1 no hydrogen 3.494 N/A THR 186.A OG1 THR 205.A OG1 no hydrogen 2.476 N/A ARG 190.A N GLY 187.A O no hydrogen 3.370 N/A ARG 190.A NE ASP 245.A OD1 no hydrogen 2.991 N/A ARG 190.A NH1 THR 186.A O no hydrogen 2.685 N/A LEU 191.A N ASP 215.A OD2 no hydrogen 3.275 N/A ARG 192.A NE ASP 203.A OD1 no hydrogen 2.811 N/A ARG 192.A NH2 ILE 182.A O no hydrogen 3.415 N/A ARG 192.A NH2 ASP 203.A OD1 no hydrogen 2.933 N/A ALA 193.A N ARG 190.A O no hydrogen 3.075 N/A GLY 194.A N LEU 191.A O no hydrogen 3.048 N/A LEU 195.A N LEU 191.A O no hydrogen 3.078 N/A ARG 200.A N TRP 220.A O no hydrogen 2.678 N/A GLY 202.A N ALA 218.A O no hydrogen 3.240 N/A ASP 203.A N LEU 181.A O no hydrogen 3.052 N/A LYS 204.A N ILE 216.A O no hydrogen 2.956 N/A LYS 204.A NZ SER 100.A OG no hydrogen 2.926 N/A LYS 204.A NZ THR 205.A O no hydrogen 2.762 N/A THR 205.A OG1 THR 186.A OG1 no hydrogen 2.476 N/A GLY 206.A N ASN 214.A O no hydrogen 3.038 N/A SER 207.A OG THR 212.A O no hydrogen 3.198 N/A SER 207.A OG ASP 241.A OD2 no hydrogen 2.768 N/A ASN 208.A N THR 212.A O no hydrogen 3.097 N/A ASN 208.A ND2 ASP 211.A OD1 no hydrogen 2.610 N/A GLY 209.A N SER 207.A OG no hydrogen 3.155 N/A GLN 210.A N ASN 208.A OD1 no hydrogen 3.127 N/A ASP 211.A N ASN 208.A OD1 no hydrogen 2.988 N/A THR 212.A N ASN 208.A OD1 no hydrogen 2.705 N/A THR 212.A OG1 ASP 211.A OD1 no hydrogen 3.215 N/A SER 213.A N LEU 234.A O no hydrogen 2.965 N/A ASN 214.A N GLY 206.A O no hydrogen 2.813 N/A ASN 214.A ND2 PRO 37.A O no hydrogen 2.920 N/A ASN 214.A ND2 MET 38.A O no hydrogen 2.940 N/A ASP 215.A N CYS 232.A O no hydrogen 2.908 N/A ILE 216.A N LYS 204.A O no hydrogen 3.033 N/A ALA 217.A N LEU 230.A O no hydrogen 2.720 N/A ALA 218.A N GLY 202.A O no hydrogen 2.867 N/A LEU 219.A N TRP 228.A O no hydrogen 2.848 N/A TRP 220.A N ARG 200.A O no hydrogen 2.896 N/A LEU 222.A N GLY 198.A O no hydrogen 2.920 N/A GLY 224.A N PRO 221.A O no hydrogen 3.126 N/A TRP 228.A N LEU 219.A O no hydrogen 2.950 N/A LEU 229.A N TRP 20.A O no hydrogen 2.912 N/A LEU 230.A N ALA 217.A O no hydrogen 2.908 N/A SER 231.A N CYS 18.A O no hydrogen 2.986 N/A SER 231.A OG CYS 18.A O no hydrogen 3.565 N/A SER 231.A OG PRO 153.A O no hydrogen 2.501 N/A TYR 233.A N GLY 16.A O no hydrogen 2.649 N/A TYR 233.A OH THR 41.A OG1 no hydrogen 3.020 N/A LEU 234.A N SER 213.A O no hydrogen 3.113 N/A LEU 234.A N ASN 214.A OD1 no hydrogen 3.336 N/A GLN 235.A N ARG 14.A O no hydrogen 2.893 N/A SER 237.A N ASP 211.A O no hydrogen 2.855 N/A SER 237.A OG SER 11.A O no hydrogen 2.843 N/A ALA 238.A N SER 11.A O no hydrogen 3.273 N/A LEU 239.A N SER 237.A OG no hydrogen 3.046 N/A GLY 243.A N ASP 240.A OD1 no hydrogen 3.002 N/A ARG 244.A N ASP 240.A O no hydrogen 2.811 N/A ARG 244.A NE SER 213.A OG no hydrogen 2.837 N/A ARG 244.A NH1 LEU 239.A O no hydrogen 2.933 N/A ARG 244.A NH2 SER 207.A OG no hydrogen 3.190 N/A ARG 244.A NH2 SER 213.A OG no hydrogen 3.187 N/A ASP 245.A N ASP 241.A O no hydrogen 2.903 N/A GLY 246.A N ASP 242.A O no hydrogen 3.180 N/A ILE 247.A N GLY 243.A O no hydrogen 3.157 N/A LEU 248.A N ARG 244.A O no hydrogen 2.939 N/A ARG 249.A N ASP 245.A O no hydrogen 2.804 N/A GLN 250.A N GLY 246.A O no hydrogen 2.989 N/A GLN 250.A NE2 GLY 246.A O no hydrogen 3.314 N/A VAL 251.A N ILE 247.A O no hydrogen 2.911 N/A GLY 252.A N LEU 248.A O no hydrogen 3.185 N/A GLU 253.A N ARG 249.A O no hydrogen 3.039 N/A LEU 254.A N GLN 250.A O no hydrogen 2.937 N/A ALA 255.A N VAL 251.A O no hydrogen 2.934 N/A GLY 256.A N GLY 252.A O no hydrogen 2.977 N/A ALA 257.A N GLU 253.A O no hydrogen 3.320 N/A ARG 258.A N ALA 255.A O no hydrogen 3.044 N/A ARG 258.A NH1 LEU 254.A O no hydrogen 2.722 N/A ARG 258.A NH2 ASP 3.A OD1 no hydrogen 2.759 N/A