Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 12ca_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASN 7.A O no hydrogen 2.823 N/A HIS 11.A N GLY 8.A O no hydrogen 2.742 N/A TRP 12.A NE1 GLY 2.A O no hydrogen 3.178 N/A TRP 12.A NE1 ASN 7.A O no hydrogen 3.068 N/A LYS 14.A N HIS 11.A O no hydrogen 3.254 N/A LYS 14.A NZ HIS 11.A ND1 no hydrogen 2.380 N/A ASP 15.A N TRP 12.A O no hydrogen 3.028 N/A PHE 16.A N TRP 12.A O no hydrogen 2.737 N/A ALA 19.A N PHE 16.A O no hydrogen 2.752 N/A LYS 20.A N PRO 17.A O no hydrogen 3.135 N/A GLY 21.A N ILE 18.A O no hydrogen 2.774 N/A ARG 23.A N GLU 200.A OE2 no hydrogen 2.876 N/A ARG 23.A NE GLY 191.A O no hydrogen 3.005 N/A ARG 23.A NH1 PRO 133.A O no hydrogen 3.347 N/A ARG 23.A NH2 PRO 133.A O no hydrogen 3.407 N/A ARG 23.A NH2 GLY 191.A O no hydrogen 3.082 N/A ARG 23.A NH2 VAL 202.A O no hydrogen 2.887 N/A GLN 24.A NE2 LEU 198.A O no hydrogen 3.175 N/A GLN 24.A NE2 GLU 200.A OE2 no hydrogen 3.434 N/A SER 25.A N SER 192.A OG no hydrogen 2.770 N/A SER 25.A OG TYR 189.A OH no hydrogen 2.671 N/A ILE 29.A N THR 104.A O no hydrogen 2.926 N/A THR 31.A N ASP 106.A OD1 no hydrogen 3.044 N/A THR 31.A OG1 ASP 106.A OD1 no hydrogen 3.238 N/A THR 31.A OG1 ASP 106.A OD2 no hydrogen 2.357 N/A HIS 32.A N ASP 30.A OD1 no hydrogen 3.169 N/A THR 33.A N ASP 30.A O no hydrogen 3.142 N/A THR 33.A N ASP 30.A OD1 no hydrogen 3.212 N/A ALA 34.A N ASP 30.A O no hydrogen 2.734 N/A LYS 35.A N ILE 251.A O no hydrogen 2.683 N/A ASP 37.A N ALA 253.A O no hydrogen 2.966 N/A SER 39.A N ASP 37.A OD1 no hydrogen 2.861 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.610 N/A SER 39.A OG ASP 37.A OD2 no hydrogen 2.993 N/A LEU 40.A N ASP 37.A O no hydrogen 3.465 N/A SER 44.A N LYS 76.A O no hydrogen 2.908 N/A SER 46.A N VAL 74.A O no hydrogen 2.804 N/A TYR 47.A OH HIS 118.A NE2 no hydrogen 2.545 N/A ALA 50.A N TYR 47.A O no hydrogen 3.233 N/A SER 52.A OG PHE 171.A O no hydrogen 2.917 N/A SER 52.A OG PHE 174.A O no hydrogen 3.451 N/A LEU 53.A N GLU 65.A O no hydrogen 2.907 N/A ARG 54.A NH1 GLU 65.A OE1 no hydrogen 2.907 N/A ARG 54.A NH1 GLU 65.A OE2 no hydrogen 3.367 N/A ILE 55.A N ALA 169.A O no hydrogen 2.773 N/A LEU 56.A N ASN 63.A O no hydrogen 2.700 N/A ASN 57.A N LYS 167.A O no hydrogen 2.997 N/A ASN 57.A ND2 ILE 162.A O no hydrogen 2.924 N/A ASN 57.A ND2 ASN 225.A O no hydrogen 3.341 N/A ASN 58.A N ALA 61.A O no hydrogen 3.061 N/A GLY 59.A N ASN 57.A OD1 no hydrogen 3.028 N/A HIS 60.A N ASN 58.A OD1 no hydrogen 3.076 N/A ALA 61.A N ASN 58.A OD1 no hydrogen 2.991 N/A ASN 63.A N LEU 56.A O no hydrogen 2.621 N/A VAL 64.A N PHE 89.A O no hydrogen 3.058 N/A GLU 65.A N ARG 54.A O no hydrogen 2.801 N/A PHE 66.A N ILE 87.A O no hydrogen 3.004 N/A ASP 67.A N THR 51.A O no hydrogen 3.122 N/A SER 69.A N ASP 67.A OD1 no hydrogen 3.139 N/A SER 69.A OG ASP 67.A OD1 no hydrogen 2.874 N/A LYS 72.A N GLN 70.A O no hydrogen 2.753 N/A LYS 72.A NZ ASP 67.A OD2 no hydrogen 2.664 N/A VAL 74.A N SER 46.A O no hydrogen 2.799 N/A LEU 75.A N TYR 84.A O no hydrogen 2.738 N/A LYS 76.A N SER 44.A O no hydrogen 2.852 N/A GLY 78.A N PRO 42.A O no hydrogen 3.130 N/A LEU 80.A N GLY 77.A O no hydrogen 3.174 N/A TYR 84.A N LEU 75.A O no hydrogen 2.883 N/A TYR 84.A OH ASP 134.A O no hydrogen 2.910 N/A ARG 85.A N TRP 119.A O no hydrogen 2.950 N/A ARG 85.A NE ASP 71.A OD1 no hydrogen 2.315 N/A ARG 85.A NH1 ASP 68.A O no hydrogen 2.973 N/A ARG 85.A NH2 ASP 71.A OD1 no hydrogen 2.658 N/A LEU 86.A N ALA 73.A O no hydrogen 3.026 N/A ILE 87.A N ALA 117.A O no hydrogen 2.966 N/A PHE 89.A N VAL 64.A O no hydrogen 3.196 N/A HIS 90.A N HIS 115.A O no hydrogen 2.997 N/A HIS 90.A ND1 GLN 88.A OE1 no hydrogen 2.507 N/A HIS 92.A N GLU 113.A O no hydrogen 3.028 N/A HIS 92.A ND1 ASN 239.A O no hydrogen 2.648 N/A TRP 93.A N ASN 239.A OD1 no hydrogen 2.780 N/A TRP 93.A NE1 MET 236.A O no hydrogen 2.607 N/A SER 95.A N ASP 238.A OD1 no hydrogen 3.175 N/A SER 95.A OG ASP 238.A OD2 no hydrogen 3.129 N/A GLN 99.A N LEU 96.A O no hydrogen 3.479 N/A GLN 99.A NE2 ASP 238.A OD1 no hydrogen 2.515 N/A SER 101.A N TYR 110.A O no hydrogen 3.115 N/A SER 101.A OG HIS 103.A O no hydrogen 2.913 N/A GLU 102.A N GLU 113.A OE1 no hydrogen 2.584 N/A HIS 103.A N GLU 113.A OE1 no hydrogen 2.747 N/A HIS 103.A ND1 GLU 113.A OE2 no hydrogen 2.591 N/A HIS 103.A NE2 TYR 189.A OH no hydrogen 2.650 N/A THR 104.A OG1 ASP 28.A OD1 no hydrogen 2.432 N/A VAL 105.A N LYS 108.A O no hydrogen 3.098 N/A ASP 106.A N ILE 29.A O no hydrogen 2.964 N/A LYS 107.A N ASP 28.A OD1 no hydrogen 2.929 N/A LYS 108.A N VAL 105.A O no hydrogen 2.719 N/A TYR 110.A N SER 101.A OG no hydrogen 2.923 N/A ALA 112.A N LEU 143.A O no hydrogen 3.292 N/A GLU 113.A N HIS 92.A O no hydrogen 2.898 N/A LEU 114.A N ILE 141.A O no hydrogen 2.722 N/A HIS 115.A N HIS 90.A O no hydrogen 2.985 N/A HIS 115.A NE2 GLU 113.A OE2 no hydrogen 2.937 N/A LEU 116.A N LEU 139.A O no hydrogen 2.996 N/A ALA 117.A N GLN 88.A O no hydrogen 2.766 N/A HIS 118.A N ALA 137.A O no hydrogen 2.838 N/A HIS 118.A ND1 ALA 137.A O no hydrogen 2.862 N/A HIS 118.A NE2 TYR 47.A OH no hydrogen 2.545 N/A TRP 119.A N ARG 85.A O no hydrogen 3.036 N/A TRP 119.A NE1 ASP 68.A OD2 no hydrogen 2.562 N/A ASN 120.A N GLY 135.A O no hydrogen 2.897 N/A ASN 120.A ND2 ASP 134.A O no hydrogen 3.576 N/A THR 121.A N THR 83.A O no hydrogen 2.974 N/A THR 121.A OG1 THR 83.A O no hydrogen 3.036 N/A LYS 122.A N ASN 120.A OD1 no hydrogen 2.673 N/A TYR 123.A N ASN 120.A O no hydrogen 3.214 N/A TYR 123.A OH ASP 134.A OD1 no hydrogen 2.426 N/A GLY 124.A N THR 121.A O no hydrogen 2.600 N/A LYS 128.A N ASP 125.A OD1 no hydrogen 3.257 N/A ALA 129.A N ASP 125.A O no hydrogen 3.359 N/A VAL 130.A N PHE 126.A O no hydrogen 3.170 N/A GLN 131.A N LYS 128.A O no hydrogen 3.179 N/A GLN 132.A N ALA 129.A O no hydrogen 2.998 N/A GLY 135.A N GLN 132.A O no hydrogen 3.167 N/A LEU 136.A N CYS 201.A O no hydrogen 3.015 N/A ALA 137.A N HIS 118.A O no hydrogen 2.883 N/A VAL 138.A N THR 203.A O no hydrogen 3.265 N/A LEU 139.A N LEU 116.A O no hydrogen 2.909 N/A GLY 140.A N ILE 205.A O no hydrogen 2.789 N/A ILE 141.A N LEU 114.A O no hydrogen 2.979 N/A LEU 143.A N ALA 112.A O no hydrogen 2.921 N/A LYS 144.A N ILE 211.A O no hydrogen 2.912 N/A GLY 146.A N VAL 213.A O no hydrogen 2.726 N/A LYS 149.A N GLN 217.A OE1 no hydrogen 2.823 N/A LEU 152.A N LYS 149.A O no hydrogen 3.003 N/A GLN 153.A N PRO 150.A O no hydrogen 3.061 N/A GLN 153.A NE2 ASP 157.A OD1 no hydrogen 2.880 N/A LYS 154.A NZ ASN 173.A O no hydrogen 3.006 N/A VAL 155.A N LEU 152.A O no hydrogen 3.246 N/A VAL 156.A N LEU 152.A O no hydrogen 3.337 N/A ASP 157.A N GLN 153.A O no hydrogen 2.978 N/A VAL 158.A N VAL 155.A O no hydrogen 3.206 N/A LEU 159.A N VAL 156.A O no hydrogen 3.391 N/A SER 161.A N VAL 158.A O no hydrogen 2.972 N/A ILE 162.A N LEU 159.A O no hydrogen 2.936 N/A LYS 163.A NZ LYS 223.A O no hydrogen 3.114 N/A LYS 165.A N ASN 227.A O no hydrogen 3.087 N/A LYS 165.A NZ ASN 58.A O no hydrogen 2.645 N/A GLY 166.A N ASN 57.A O no hydrogen 2.815 N/A LYS 167.A N THR 164.A O no hydrogen 3.178 N/A LYS 167.A NZ GLU 229.A OE1 no hydrogen 3.307 N/A ALA 169.A N ILE 55.A O no hydrogen 2.757 N/A PHE 171.A N LEU 53.A O no hydrogen 2.960 N/A THR 172.A OG1 ASN 173.A OD1 no hydrogen 3.487 N/A PHE 174.A N SER 52.A OG no hydrogen 2.806 N/A ARG 177.A N ASP 175.A OD1 no hydrogen 2.930 N/A ARG 177.A NE ASP 175.A OD1 no hydrogen 3.086 N/A ARG 177.A NE ASP 175.A OD2 no hydrogen 2.767 N/A ARG 177.A NH2 ASP 175.A OD2 no hydrogen 2.365 N/A LEU 179.A N PRO 176.A O no hydrogen 2.806 N/A GLU 182.A N GLU 209.A OE2 no hydrogen 3.341 N/A SER 183.A N GLU 209.A OE1 no hydrogen 2.885 N/A TYR 186.A N SER 254.A OG no hydrogen 3.110 N/A TYR 186.A OH LYS 41.A O no hydrogen 2.603 N/A TRP 187.A N VAL 206.A O no hydrogen 2.955 N/A THR 188.A N LYS 252.A O no hydrogen 2.882 N/A THR 188.A OG1 TRP 204.A O no hydrogen 2.646 N/A TYR 189.A N TRP 204.A O no hydrogen 3.304 N/A TYR 189.A OH SER 25.A OG no hydrogen 2.671 N/A TYR 189.A OH HIS 103.A NE2 no hydrogen 2.650 N/A GLY 191.A N VAL 202.A O no hydrogen 2.707 N/A SER 192.A N SER 25.A OG no hydrogen 2.988 N/A SER 192.A OG LEU 193.A O no hydrogen 3.044 N/A LEU 193.A N LEU 199.A O no hydrogen 3.156 N/A THR 194.A OG1 GLU 102.A OE1 no hydrogen 2.380 N/A LEU 198.A N THR 195.A O no hydrogen 2.864 N/A CYS 201.A SG VAL 130.A O no hydrogen 3.460 N/A VAL 202.A N GLY 191.A O no hydrogen 3.260 N/A THR 203.A N LEU 136.A O no hydrogen 3.197 N/A TRP 204.A N TYR 189.A O no hydrogen 2.966 N/A TRP 204.A NE1 SER 192.A O no hydrogen 2.777 N/A ILE 205.A N VAL 138.A O no hydrogen 3.118 N/A VAL 206.A N TRP 187.A O no hydrogen 2.960 N/A LEU 207.A N GLY 140.A O no hydrogen 3.037 N/A LYS 208.A N ASP 185.A O no hydrogen 2.891 N/A ILE 211.A N PHE 142.A O no hydrogen 2.858 N/A SER 212.A OG SER 147.A O no hydrogen 3.411 N/A VAL 213.A N LYS 144.A O no hydrogen 2.929 N/A SER 214.A N GLN 217.A OE1 no hydrogen 2.939 N/A GLN 217.A N SER 214.A OG no hydrogen 3.292 N/A GLN 217.A NE2 LYS 149.A O no hydrogen 2.712 N/A GLN 217.A NE2 GLN 153.A OE1 no hydrogen 3.535 N/A VAL 218.A N SER 214.A O no hydrogen 3.151 N/A LEU 219.A N SER 215.A O no hydrogen 2.954 N/A LYS 220.A N GLN 217.A O no hydrogen 3.103 N/A PHE 221.A N VAL 218.A O no hydrogen 3.049 N/A ARG 222.A NE GLY 94.A O no hydrogen 2.922 N/A ARG 222.A NH2 ASP 97.A OD1 no hydrogen 2.938 N/A LYS 223.A N LYS 220.A O no hydrogen 3.361 N/A LEU 224.A N PHE 221.A O no hydrogen 3.293 N/A ASN 225.A N LYS 163.A O no hydrogen 2.800 N/A ASN 225.A ND2 LEU 224.A O no hydrogen 2.882 N/A ASN 225.A ND2 GLU 233.A OE2 no hydrogen 2.922 N/A PHE 226.A N GLU 234.A O no hydrogen 3.039 N/A ASN 227.A ND2 GLY 228.A O no hydrogen 3.006 N/A GLY 228.A N GLU 231.A OE1 no hydrogen 2.923 N/A GLU 231.A N GLY 228.A O no hydrogen 3.172 N/A GLU 234.A N ASN 227.A OD1 no hydrogen 2.854 N/A MET 236.A N LEU 224.A O no hydrogen 2.862 N/A ASN 239.A N TRP 93.A O no hydrogen 3.245 N/A ASN 239.A ND2 HIS 60.A O no hydrogen 3.006 N/A ASN 239.A ND2 PHE 91.A O no hydrogen 3.630 N/A TRP 240.A NE1 ASP 238.A OD1 no hydrogen 2.749 N/A ARG 241.A N GLU 102.A OE2 no hydrogen 2.919 N/A ARG 241.A NH1 GLN 24.A OE1 no hydrogen 2.963 N/A ARG 241.A NH1 SER 25.A O no hydrogen 2.562 N/A ARG 241.A NH2 GLN 24.A OE1 no hydrogen 2.948 N/A GLN 244.A N PRO 26.A O no hydrogen 2.770 N/A GLN 244.A NE2 PRO 242.A O no hydrogen 2.567 N/A LYS 247.A NZ GLY 21.A O no hydrogen 3.048 N/A ARG 249.A NE LEU 246.A O no hydrogen 2.624 N/A ARG 249.A NH1 GLN 24.A O no hydrogen 2.993 N/A ARG 249.A NH1 PRO 190.A O no hydrogen 3.009 N/A ARG 249.A NH2 GLN 24.A O no hydrogen 2.928 N/A ARG 249.A NH2 PRO 245.A O no hydrogen 2.751 N/A ARG 249.A NH2 LEU 246.A O no hydrogen 3.399 N/A LYS 252.A N THR 188.A O no hydrogen 3.106 N/A ALA 253.A N LYS 35.A O no hydrogen 2.553 N/A SER 254.A N TYR 186.A O no hydrogen 3.020 N/A SER 254.A OG TYR 186.A O no hydrogen 3.415 N/A