Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pwq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N SER 1.A O no hydrogen 3.275 N/A THR 5.A OG1 SER 1.A O no hydrogen 2.757 N/A ALA 6.A N ASN 2.A O no hydrogen 3.083 N/A TYR 7.A N GLN 3.A O no hydrogen 2.973 N/A THR 8.A N LEU 4.A O no hydrogen 3.073 N/A THR 8.A OG1 LEU 4.A O no hydrogen 2.528 N/A LEU 9.A N THR 5.A O no hydrogen 2.928 N/A ARG 10.A N ALA 6.A O no hydrogen 3.008 N/A ARG 10.A NH1 ASP 173.A OD1 no hydrogen 3.349 N/A ARG 10.A NH2 ASP 173.A OD1 no hydrogen 3.277 N/A ARG 10.A NH2 ASP 173.A OD2 no hydrogen 2.623 N/A LEU 11.A N TYR 7.A O no hydrogen 3.424 N/A GLY 12.A N THR 8.A O no hydrogen 3.085 N/A ASP 13.A N LEU 9.A O no hydrogen 2.730 N/A ASN 14.A N ARG 10.A O no hydrogen 2.926 N/A CYS 15.A N LEU 11.A O no hydrogen 3.283 N/A CYS 15.A SG LEU 11.A O no hydrogen 3.233 N/A CYS 15.A SG GLN 48.A OE1 no hydrogen 3.507 N/A LEU 16.A N GLY 12.A O no hydrogen 2.839 N/A VAL 17.A N ASP 13.A O no hydrogen 3.001 N/A LEU 18.A N ASN 14.A O no hydrogen 3.169 N/A SER 19.A N CYS 15.A O no hydrogen 3.085 N/A SER 19.A OG GLY 42.A O no hydrogen 2.982 N/A GLN 20.A N LEU 16.A O no hydrogen 3.110 N/A ARG 21.A N VAL 17.A O no hydrogen 3.212 N/A ARG 21.A NE GLN 85.A O no hydrogen 3.001 N/A ARG 21.A NH1 GLU 24.A OE1 no hydrogen 3.486 N/A ARG 21.A NH1 GLU 24.A OE2 no hydrogen 3.133 N/A ARG 21.A NH2 GLU 84.A O no hydrogen 2.880 N/A LEU 22.A N LEU 18.A O no hydrogen 3.011 N/A GLY 23.A N SER 19.A O no hydrogen 2.977 N/A GLU 24.A N ARG 21.A O no hydrogen 3.060 N/A TRP 25.A N LEU 22.A O no hydrogen 3.179 N/A TRP 25.A NE1 THR 93.A OG1 no hydrogen 2.894 N/A CYS 26.A N GLY 23.A O no hydrogen 3.328 N/A GLY 27.A N ASP 35.A OD1 no hydrogen 2.827 N/A HIS 28.A N TRP 25.A O no hydrogen 2.894 N/A ALA 29.A N ASP 35.A OD2 no hydrogen 3.270 N/A GLU 33.A N GLU 33.A OE1 no hydrogen 2.579 N/A ASP 35.A N GLU 31.A O no hydrogen 3.058 N/A LEU 36.A N LEU 32.A O no hydrogen 2.996 N/A ALA 37.A N GLU 33.A O no hydrogen 3.101 N/A LEU 38.A N ILE 34.A O no hydrogen 2.821 N/A ALA 39.A N ASP 35.A O no hydrogen 2.913 N/A ASN 40.A N LEU 36.A O no hydrogen 2.956 N/A ILE 41.A N ALA 37.A O no hydrogen 2.845 N/A GLY 42.A N LEU 38.A O no hydrogen 2.986 N/A LEU 43.A N ALA 39.A O no hydrogen 2.938 N/A ASP 44.A N ASN 40.A O no hydrogen 2.974 N/A LEU 45.A N ILE 41.A O no hydrogen 2.958 N/A LEU 46.A N GLY 42.A O no hydrogen 2.947 N/A GLY 47.A N LEU 43.A O no hydrogen 2.984 N/A GLN 48.A N ASP 44.A O no hydrogen 2.973 N/A GLN 48.A NE2 GLU 129.A OE1 no hydrogen 2.875 N/A ALA 49.A N LEU 45.A O no hydrogen 2.906 N/A ARG 50.A N LEU 46.A O no hydrogen 2.872 N/A ARG 50.A NE GLU 65.A OE1 no hydrogen 3.421 N/A ARG 50.A NE GLU 65.A OE2 no hydrogen 2.794 N/A ARG 50.A NH2 GLU 65.A OE2 no hydrogen 3.213 N/A ASN 51.A N GLY 47.A O no hydrogen 3.077 N/A PHE 52.A N GLN 48.A O no hydrogen 2.861 N/A LEU 53.A N ALA 49.A O no hydrogen 2.742 N/A SER 54.A N ARG 50.A O no hydrogen 2.882 N/A SER 54.A OG ARG 50.A O no hydrogen 2.894 N/A TYR 55.A N ASN 51.A O no hydrogen 3.157 N/A TYR 55.A OH ASP 116.A OD1 no hydrogen 2.984 N/A TYR 55.A OH ASP 116.A OD2 no hydrogen 2.817 N/A ALA 56.A N PHE 52.A O no hydrogen 2.945 N/A ALA 57.A N LEU 53.A O no hydrogen 2.901 N/A GLU 58.A N SER 54.A O no hydrogen 3.049 N/A LEU 59.A N TYR 55.A O no hydrogen 2.898 N/A ALA 60.A N ALA 56.A O no hydrogen 3.079 N/A GLY 61.A N ALA 57.A O no hydrogen 3.002 N/A GLY 61.A N GLU 58.A O no hydrogen 3.173 N/A ASP 64.A N THR 67.A OG1 no hydrogen 3.128 N/A THR 67.A N ASP 64.A OD1 no hydrogen 2.909 N/A THR 67.A OG1 ASP 64.A O no hydrogen 3.311 N/A LEU 68.A N ASP 64.A O no hydrogen 3.148 N/A ALA 69.A N GLU 65.A O no hydrogen 2.968 N/A PHE 70.A N ASP 66.A O no hydrogen 2.851 N/A THR 71.A N THR 67.A O no hydrogen 3.158 N/A THR 71.A OG1 THR 67.A O no hydrogen 2.435 N/A ARG 72.A NE LEU 68.A O no hydrogen 2.618 N/A ARG 72.A NH1 ASP 13.A OD2 no hydrogen 2.872 N/A ARG 72.A NH1 GLN 76.A O no hydrogen 3.067 N/A ARG 72.A NH2 ASP 13.A OD1 no hydrogen 2.682 N/A ARG 72.A NH2 ASP 13.A OD2 no hydrogen 3.485 N/A ARG 72.A NH2 LEU 68.A O no hydrogen 2.907 N/A ASP 73.A N GLN 76.A OE1 no hydrogen 2.984 N/A ARG 75.A N ASP 73.A OD1 no hydrogen 3.101 N/A ARG 75.A NH1 GLY 223.A O no hydrogen 2.840 N/A GLN 76.A N ASP 73.A O no hydrogen 2.831 N/A PHE 77.A N GLU 74.A O no hydrogen 3.370 N/A SER 78.A N ASP 13.A OD2 no hydrogen 2.847 N/A SER 78.A OG ASP 13.A OD2 no hydrogen 3.072 N/A ASN 79.A ND2 LEU 80.A O no hydrogen 2.885 N/A ASN 79.A ND2 GLU 84.A OE2 no hydrogen 2.874 N/A LEU 80.A N ASN 14.A OD1 no hydrogen 2.722 N/A LEU 81.A N GLU 168.A OE1 no hydrogen 2.768 N/A VAL 83.A N LEU 80.A O no hydrogen 3.335 N/A GLU 84.A N LEU 81.A O no hydrogen 3.253 N/A GLN 85.A N LEU 82.A O no hydrogen 3.466 N/A GLN 85.A NE2 LEU 81.A O no hydrogen 3.013 N/A ASN 87.A ND2 ARG 21.A O no hydrogen 2.882 N/A ASN 89.A N ASP 92.A OD2 no hydrogen 2.807 N/A ASP 92.A N ASN 89.A OD1 no hydrogen 3.155 N/A THR 93.A N ASN 89.A O no hydrogen 3.183 N/A THR 93.A OG1 ASN 87.A O no hydrogen 2.831 N/A ILE 94.A N PHE 90.A O no hydrogen 2.884 N/A ALA 95.A N ALA 91.A O no hydrogen 2.745 N/A ARG 96.A N ASP 92.A O no hydrogen 3.213 N/A ARG 96.A NH1 GLN 85.A O no hydrogen 2.749 N/A ARG 96.A NH1 ASN 87.A OD1 no hydrogen 3.098 N/A ARG 96.A NH2 ASN 87.A OD1 no hydrogen 2.714 N/A GLN 97.A N THR 93.A O no hydrogen 2.999 N/A GLN 97.A NE2 ASP 101.A OD1 no hydrogen 3.026 N/A TYR 98.A N ILE 94.A O no hydrogen 2.828 N/A TYR 98.A OH GLU 198.A OE2 no hydrogen 2.690 N/A PHE 99.A N ALA 95.A O no hydrogen 3.004 N/A ILE 100.A N ARG 96.A O no hydrogen 3.121 N/A ASP 101.A N GLN 97.A O no hydrogen 2.743 N/A ALA 102.A N TYR 98.A O no hydrogen 2.946 N/A TRP 103.A N PHE 99.A O no hydrogen 3.334 N/A TRP 103.A NE1 LEU 169.A O no hydrogen 2.926 N/A HIS 104.A N ILE 100.A O no hydrogen 2.764 N/A VAL 105.A N ASP 101.A O no hydrogen 2.880 N/A ALA 106.A N ALA 102.A O no hydrogen 3.021 N/A LEU 107.A N TRP 103.A O no hydrogen 2.806 N/A PHE 108.A N HIS 104.A O no hydrogen 2.811 N/A THR 109.A N VAL 105.A O no hydrogen 3.130 N/A THR 109.A OG1 VAL 105.A O no hydrogen 2.691 N/A ARG 110.A NH1 THR 190.A OG1 no hydrogen 3.040 N/A ARG 110.A NH2 THR 190.A OG1 no hydrogen 2.504 N/A LEU 111.A N LEU 107.A O no hydrogen 2.799 N/A MET 112.A N PHE 108.A O no hydrogen 3.105 N/A GLU 113.A N ARG 110.A O no hydrogen 3.172 N/A SER 114.A N LEU 111.A O no hydrogen 3.190 N/A SER 114.A OG ILE 184.A O no hydrogen 2.748 N/A ARG 115.A N GLY 183.A O no hydrogen 3.198 N/A ARG 115.A NH1 GLU 182.A O no hydrogen 2.953 N/A ASP 116.A N SER 114.A OG no hydrogen 3.066 N/A LEU 119.A N ASP 116.A OD2 no hydrogen 3.192 N/A ALA 120.A N ASP 116.A O no hydrogen 2.985 N/A ALA 121.A N PRO 117.A O no hydrogen 2.901 N/A ILE 122.A N GLN 118.A O no hydrogen 3.027 N/A SER 123.A N LEU 119.A O no hydrogen 3.043 N/A SER 123.A OG LEU 119.A O no hydrogen 2.958 N/A ALA 124.A N ALA 120.A O no hydrogen 2.873 N/A LYS 125.A N ALA 121.A O no hydrogen 3.276 N/A ALA 126.A N ILE 122.A O no hydrogen 2.891 N/A ILE 127.A N SER 123.A O no hydrogen 2.902 N/A ALA 130.A N ALA 126.A O no hydrogen 2.869 N/A ARG 131.A N ILE 127.A O no hydrogen 3.040 N/A HIS 133.A N GLU 129.A O no hydrogen 3.060 N/A HIS 133.A NE2 ASP 44.A OD2 no hydrogen 2.792 N/A LEU 134.A N ALA 130.A O no hydrogen 2.928 N/A ARG 135.A N ARG 131.A O no hydrogen 3.122 N/A PHE 136.A N TYR 132.A O no hydrogen 3.104 N/A SER 137.A N HIS 133.A O no hydrogen 2.862 N/A SER 137.A OG ASP 101.A OD2 no hydrogen 2.618 N/A SER 137.A OG HIS 133.A O no hydrogen 2.759 N/A SER 137.A OG LEU 134.A O no hydrogen 3.314 N/A ARG 138.A N LEU 134.A O no hydrogen 2.779 N/A ARG 138.A NH1 GLU 198.A OE2 no hydrogen 2.872 N/A GLY 139.A N ARG 135.A O no hydrogen 2.842 N/A TRP 140.A N PHE 136.A O no hydrogen 3.041 N/A LEU 141.A N SER 137.A O no hydrogen 2.998 N/A GLU 142.A N ARG 138.A O no hydrogen 3.021 N/A ARG 143.A N GLY 139.A O no hydrogen 2.978 N/A LEU 144.A N TRP 140.A O no hydrogen 2.799 N/A GLY 145.A N LEU 141.A O no hydrogen 2.938 N/A ASN 146.A N GLU 142.A O no hydrogen 2.880 N/A THR 148.A N SER 151.A OG no hydrogen 3.049 N/A SER 151.A N THR 148.A OG1 no hydrogen 3.000 N/A SER 151.A OG LEU 144.A O no hydrogen 2.556 N/A SER 151.A OG THR 148.A O no hydrogen 3.383 N/A SER 151.A OG THR 148.A OG1 no hydrogen 3.406 N/A GLY 152.A N THR 148.A O no hydrogen 3.228 N/A GLN 153.A N ASP 149.A O no hydrogen 3.168 N/A LYS 154.A N VAL 150.A O no hydrogen 3.082 N/A MET 155.A N SER 151.A O no hydrogen 2.920 N/A GLN 156.A N GLY 152.A O no hydrogen 3.072 N/A GLN 156.A NE2 GLN 156.A O no hydrogen 3.590 N/A GLN 156.A NE2 ASN 160.A OD1 no hydrogen 2.997 N/A GLN 156.A NE2 ASN 209.A O no hydrogen 2.947 N/A GLN 157.A N GLN 153.A O no hydrogen 3.059 N/A GLN 157.A NE2 GLN 153.A O no hydrogen 3.513 N/A ALA 158.A N LYS 154.A O no hydrogen 2.968 N/A ILE 159.A N MET 155.A O no hydrogen 3.138 N/A ASN 160.A N GLN 156.A O no hydrogen 2.938 N/A LYS 161.A N GLN 157.A O no hydrogen 2.905 N/A LEU 162.A N ALA 158.A O no hydrogen 3.196 N/A TRP 163.A N ASN 160.A O no hydrogen 3.457 N/A PHE 165.A N LEU 162.A O no hydrogen 2.962 N/A THR 166.A N TRP 163.A O no hydrogen 2.969 N/A THR 166.A OG1 TRP 163.A O no hydrogen 2.598 N/A LEU 169.A N THR 166.A O no hydrogen 3.023 N/A PHE 170.A N ALA 167.A O no hydrogen 3.105 N/A ASP 171.A N GLU 168.A O no hydrogen 3.334 N/A ASP 173.A N ASP 176.A OD2 no hydrogen 3.273 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 2.678 N/A ASP 176.A N ASP 173.A OD1 no hydrogen 3.510 N/A ILE 177.A N ASP 173.A O no hydrogen 3.104 N/A ALA 178.A N GLU 174.A O no hydrogen 3.123 N/A LEU 179.A N ILE 175.A O no hydrogen 3.290 N/A SER 180.A N ASP 176.A O no hydrogen 2.917 N/A SER 180.A OG ILE 177.A O no hydrogen 3.255 N/A GLU 181.A N ILE 177.A O no hydrogen 2.953 N/A GLY 183.A N SER 180.A O no hydrogen 2.943 N/A ILE 184.A N LEU 179.A O no hydrogen 2.869 N/A ALA 185.A N LEU 179.A O no hydrogen 3.041 N/A VAL 186.A N TYR 7.A OH no hydrogen 3.438 N/A ARG 189.A N ASP 187.A OD1 no hydrogen 2.967 N/A ARG 189.A NE ASP 187.A OD1 no hydrogen 3.190 N/A ARG 189.A NE ASP 187.A OD2 no hydrogen 3.315 N/A ARG 189.A NH2 ASP 187.A OD2 no hydrogen 2.739 N/A THR 190.A N ASP 187.A O no hydrogen 2.841 N/A THR 190.A OG1 ASP 187.A O no hydrogen 2.665 N/A LEU 191.A N PRO 188.A O no hydrogen 2.877 N/A ARG 192.A NH1 GLU 196.A OE2 no hydrogen 2.960 N/A TRP 195.A N LEU 191.A O no hydrogen 3.033 N/A TRP 195.A NE1 PHE 99.A O no hydrogen 2.969 N/A GLU 196.A N ARG 192.A O no hydrogen 2.800 N/A ALA 197.A N ALA 193.A O no hydrogen 2.888 N/A GLU 198.A N ALA 194.A O no hydrogen 3.245 N/A VAL 199.A N TRP 195.A O no hydrogen 2.888 N/A PHE 200.A N GLU 196.A O no hydrogen 2.912 N/A GLY 202.A N GLU 198.A O no hydrogen 2.916 N/A ILE 203.A N VAL 199.A O no hydrogen 2.878 N/A ASN 204.A N PHE 200.A O no hydrogen 3.089 N/A GLU 205.A N ALA 201.A O no hydrogen 2.757 N/A ALA 206.A N GLY 202.A O no hydrogen 3.087 N/A ALA 206.A N ILE 203.A O no hydrogen 3.306 N/A THR 207.A N ASN 204.A O no hydrogen 2.986 N/A THR 207.A OG1 GLY 145.A O no hydrogen 3.452 N/A THR 207.A OG1 ALA 206.A O no hydrogen 2.630 N/A LEU 208.A N ILE 203.A O no hydrogen 2.976 N/A ASN 209.A N GLN 156.A OE1 no hydrogen 2.774 N/A GLN 212.A NE2 GLN 212.A O no hydrogen 3.319 N/A ARG 217.A N ARG 164.A O no hydrogen 2.991 N/A ARG 217.A NH1 THR 218.A O no hydrogen 2.989 N/A GLY 219.A N GLU 168.A OE2 no hydrogen 3.241 N/A LYS 221.A N GLU 168.A OE2 no hydrogen 2.996 N/A LYS 221.A NZ ASP 171.A O no hydrogen 2.762 N/A LYS 221.A NZ ASP 176.A OD2 no hydrogen 2.882 N/A LYS 222.A N GLY 219.A O no hydrogen 2.982 N/A GLY 223.A N GLY 220.A O no hydrogen 2.908 N/A LEU 224.A N GLY 219.A O no hydrogen 2.946 N/A HIS 225.A ND1 GLU 84.A OE2 no hydrogen 2.656 N/A HIS 225.A NE2 PHE 77.A O no hydrogen 2.796 N/A THR 226.A N GLU 84.A OE1 no hydrogen 2.814 N/A THR 226.A OG1 GLU 84.A OE1 no hydrogen 2.640 N/A THR 226.A OG1 HIS 228.A ND1 no hydrogen 3.089 N/A HIS 228.A N THR 226.A OG1 no hydrogen 3.075 N/A HIS 228.A ND1 THR 226.A OG1 no hydrogen 3.089 N/A MET 232.A N HIS 228.A O no hydrogen 3.509 N/A LEU 233.A N LEU 229.A O no hydrogen 2.930 N/A ALA 234.A N GLY 230.A O no hydrogen 3.033 N/A GLU 235.A N PRO 231.A O no hydrogen 3.309 N/A MET 236.A N MET 232.A O no hydrogen 2.956 N/A GLN 237.A N LEU 233.A O no hydrogen 2.761 N/A GLN 237.A NE2 ALA 69.A O no hydrogen 2.907 N/A GLN 237.A NE2 ARG 72.A O no hydrogen 2.792 N/A ARG 241.A N GLN 237.A O no hydrogen 2.959 N/A ARG 241.A N TYR 238.A O no hydrogen 3.006 N/A ARG 241.A NE GLN 237.A OE1 no hydrogen 3.023 N/A ARG 241.A NH2 GLN 237.A OE1 no hydrogen 2.797 N/A VAL 242.A N TYR 238.A O no hydrogen 2.892 N/A LEU 243.A N LEU 239.A O no hydrogen 2.977 N/A GLN 246.A NE2 PRO 244.A O no hydrogen 3.323 N/A