Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qay_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLN 65.A O no hydrogen 3.024 N/A ARG 3.A NH1 GLN 5.A OE1 no hydrogen 3.371 N/A ARG 3.A NH2 GLN 5.A OE1 no hydrogen 3.129 N/A GLN 5.A N LEU 67.A O no hydrogen 3.158 N/A GLN 5.A NE2 GLU 7.A OE2 no hydrogen 3.308 N/A GLU 7.A N ALA 69.A O no hydrogen 3.144 N/A LYS 15.A N GLY 11.A O no hydrogen 3.410 N/A ASN 16.A N GLN 12.A O no hydrogen 2.911 N/A ASN 16.A ND2 GLY 41.A O no hydrogen 3.072 N/A VAL 17.A N LEU 13.A O no hydrogen 3.042 N/A ARG 18.A N GLU 14.A O no hydrogen 2.917 N/A ARG 18.A NH1 GLU 14.A OE2 no hydrogen 3.432 N/A ALA 19.A N LYS 15.A O no hydrogen 3.020 N/A GLN 20.A N ASN 16.A O no hydrogen 3.363 N/A LEU 21.A N VAL 17.A O no hydrogen 2.870 N/A LEU 21.A N ARG 18.A O no hydrogen 3.176 N/A SER 22.A N ARG 18.A O no hydrogen 3.229 N/A SER 22.A OG ARG 18.A O no hydrogen 3.294 N/A SER 22.A OG ALA 19.A O no hydrogen 3.184 N/A THR 23.A OG1 ALA 19.A O no hydrogen 3.189 N/A THR 23.A OG1 GLN 20.A O no hydrogen 2.556 N/A ILE 24.A N LEU 21.A O no hydrogen 3.001 N/A PHE 30.A N ASP 27.A OD1 no hydrogen 3.216 N/A ARG 31.A N ASP 27.A O no hydrogen 3.070 N/A ALA 32.A N ARG 28.A O no hydrogen 3.008 N/A ARG 33.A N ARG 29.A O no hydrogen 3.283 N/A ARG 33.A NH2 GLU 25.A OE2 no hydrogen 3.287 N/A VAL 34.A N PHE 30.A O no hydrogen 3.081 N/A ASP 35.A N ARG 31.A O no hydrogen 2.875 N/A ASP 36.A N ALA 32.A O no hydrogen 2.797 N/A ALA 37.A N ARG 33.A O no hydrogen 3.135 N/A ILE 38.A N VAL 34.A O no hydrogen 3.068 N/A ARG 39.A N ASP 35.A O no hydrogen 3.034 N/A ARG 39.A NE ASP 35.A OD1 no hydrogen 3.315 N/A ARG 39.A NE ASP 35.A OD2 no hydrogen 2.870 N/A GLU 40.A N ASP 36.A O no hydrogen 2.908 N/A GLY 41.A N ALA 37.A O no hydrogen 3.294 N/A LEU 42.A N ILE 38.A O no hydrogen 3.175 N/A LEU 42.A N ARG 39.A O no hydrogen 3.170 N/A LYS 43.A N ARG 39.A O no hydrogen 3.019 N/A ALA 44.A N GLU 40.A O no hydrogen 3.129 N/A LEU 45.A N LEU 42.A O no hydrogen 3.009 N/A GLY 46.A N LYS 43.A O no hydrogen 2.624 N/A TYR 47.A N LEU 42.A O no hydrogen 2.636 N/A THR 51.A N THR 72.A O no hydrogen 2.912 N/A GLU 53.A N LYS 70.A O no hydrogen 3.255 N/A ASP 55.A N ILE 68.A O no hydrogen 3.068 N/A ARG 57.A N VAL 66.A O no hydrogen 2.852 N/A ARG 57.A NH1 ASP 55.A OD1 no hydrogen 3.483 N/A ARG 57.A NH1 ASP 55.A OD2 no hydrogen 3.362 N/A GLN 65.A NE2 ARG 57.A O no hydrogen 2.819 N/A LEU 67.A N ARG 3.A O no hydrogen 2.988 N/A ILE 68.A N ASP 55.A O no hydrogen 2.858 N/A ALA 69.A N GLN 5.A O no hydrogen 2.774 N/A LYS 70.A N GLU 53.A O no hydrogen 3.029 N/A VAL 71.A N GLU 7.A O no hydrogen 2.920 N/A THR 72.A N THR 51.A O no hydrogen 3.142 N/A VAL 77.A N GLY 46.A O no hydrogen 2.726 N/A LEU 78.A N HIS 148.A O no hydrogen 2.960 N/A ILE 79.A N THR 108.A O no hydrogen 2.782 N/A GLY 80.A N ALA 150.A O no hydrogen 2.863 N/A ASP 83.A N TRP 152.A O no hydrogen 2.874 N/A VAL 85.A N ILE 154.A O no hydrogen 2.919 N/A ARG 87.A N TYR 156.A O no hydrogen 2.622 N/A ARG 87.A NE ASP 155.A OD1 no hydrogen 3.181 N/A GLY 89.A N GLY 159.A O no hydrogen 3.033 N/A ALA 90.A N SER 158.A OG no hydrogen 2.743 N/A ARG 91.A N GLY 88.A O no hydrogen 3.020 N/A THR 92.A N GLY 89.A O no hydrogen 3.325 N/A ASP 93.A N ALA 90.A O no hydrogen 3.259 N/A LYS 94.A NZ.A ASP 95.A OD1 no hydrogen 3.017 N/A ASP 95.A N ASP 93.A OD1 no hydrogen 2.538 N/A TYR 96.A N ASP 93.A OD1 no hydrogen 3.121 N/A TYR 96.A OH LEU 122.A O no hydrogen 3.233 N/A TYR 96.A OH TYR 156.A OH no hydrogen 2.823 N/A LEU 97.A N ASP 93.A O no hydrogen 2.833 N/A LYS 98.A N LYS 94.A O no hydrogen 3.034 N/A LEU 99.A N ASP 95.A O no hydrogen 3.090 N/A LEU 100.A N TYR 96.A O no hydrogen 3.014 N/A ASP 101.A N LYS 98.A O no hydrogen 3.248 N/A THR 102.A N LEU 99.A O no hydrogen 2.838 N/A THR 102.A OG1 LEU 99.A O no hydrogen 2.517 N/A ARG 103.A N LEU 100.A O no hydrogen 3.281 N/A GLY 107.A N ILE 79.A O no hydrogen 2.834 N/A THR 108.A N ALA 105.A O no hydrogen 3.076 N/A THR 108.A OG1 ALA 105.A O no hydrogen 2.341 N/A LEU 110.A N VAL 77.A O no hydrogen 2.915 N/A GLN 112.A N ALA 44.A O no hydrogen 3.063 N/A ASP 114.A N ASN 111.A OD1 no hydrogen 3.343 N/A TYR 115.A N GLN 112.A O no hydrogen 2.944 N/A GLU 116.A N GLN 112.A O no hydrogen 2.970 N/A ASN 117.A N GLY 113.A O no hydrogen 2.729 N/A PHE 118.A N ASP 114.A O no hydrogen 3.076 N/A PHE 118.A N TYR 115.A O no hydrogen 3.147 N/A LYS 119.A N TYR 115.A O no hydrogen 3.185 N/A LYS 120.A N GLU 116.A O no hydrogen 3.114 N/A SER 121.A N ASN 117.A O no hydrogen 2.868 N/A SER 121.A OG ASN 117.A O no hydrogen 2.976 N/A LEU 122.A N PHE 118.A O no hydrogen 3.353 N/A LEU 122.A N LYS 119.A O no hydrogen 3.279 N/A THR 123.A N LYS 119.A O no hydrogen 3.418 N/A THR 123.A OG1 LYS 119.A O no hydrogen 3.507 N/A SER 124.A N LYS 120.A O no hydrogen 3.009 N/A ILE 125.A N SER 121.A O no hydrogen 3.015 N/A ALA 126.A N LEU 122.A O no hydrogen 2.963 N/A LEU 127.A N THR 123.A O no hydrogen 2.909 N/A ARG 128.A N SER 124.A O no hydrogen 3.197 N/A LYS 129.A N ILE 125.A O no hydrogen 3.094 N/A LYS 129.A NZ ASP 93.A OD1 no hydrogen 3.425 N/A LYS 129.A NZ ASP 93.A OD2 no hydrogen 2.947 N/A LYS 129.A NZ ASP 95.A OD2 no hydrogen 2.474 N/A TYR 131.A N ALA 126.A O no hydrogen 2.768 N/A TYR 131.A OH ASP 93.A OD2 no hydrogen 3.335 N/A SER 134.A N TYR 131.A O no hydrogen 3.157 N/A SER 134.A OG TYR 156.A OH no hydrogen 2.668 N/A GLU 135.A N ASN 157.A O no hydrogen 2.895 N/A LYS 138.A N ASP 155.A O no hydrogen 3.321 N/A GLN 140.A N ASP 153.A O no hydrogen 2.740 N/A GLY 142.A N PHE 151.A O no hydrogen 2.909 N/A ALA 144.A N LYS 149.A O no hydrogen 2.818 N/A LEU 147.A N ALA 144.A O no hydrogen 3.022 N/A HIS 148.A N LEU 145.A O no hydrogen 3.178 N/A HIS 148.A NE2 GLN 49.A OE1 no hydrogen 2.679 N/A LYS 149.A N ALA 144.A O no hydrogen 3.156 N/A ALA 150.A N LEU 78.A O no hydrogen 2.862 N/A PHE 151.A N GLY 142.A O no hydrogen 2.797 N/A TRP 152.A N GLY 81.A O no hydrogen 3.218 N/A ASP 153.A N GLN 140.A O no hydrogen 2.982 N/A ILE 154.A N ASP 83.A O no hydrogen 2.891 N/A ASP 155.A N LYS 138.A O no hydrogen 2.756 N/A TYR 156.A N VAL 85.A O no hydrogen 2.948 N/A TYR 156.A OH TYR 96.A OH no hydrogen 2.823 N/A TYR 156.A OH SER 134.A OG no hydrogen 2.668 N/A ASN 157.A N GLU 135.A O no hydrogen 2.897 N/A SER 158.A N ARG 87.A O no hydrogen 2.888 N/A SER 158.A OG ARG 87.A O no hydrogen 3.352 N/A SER 158.A OG GLY 159.A O no hydrogen 2.959 N/A GLY 159.A N ASN 157.A OD1 no hydrogen 2.980 N/A ARG 161.A NE LYS 129.A O no hydrogen 2.785 N/A ARG 161.A NH2 TYR 191.A O no hydrogen 2.877 N/A TYR 162.A N GLY 130.A O no hydrogen 2.899 N/A TYR 162.A OH ASP 133.A OD1 no hydrogen 2.483 N/A ARG 163.A N LYS 225.A O no hydrogen 2.569 N/A ARG 163.A NH1.B ARG 161.A O no hydrogen 3.568 N/A ARG 163.A NH2.A GLY 188.A O no hydrogen 3.025 N/A PHE 164.A N ASP 189.A O no hydrogen 2.641 N/A GLY 165.A N LEU 227.A O no hydrogen 2.673 N/A THR 168.A N LEU 229.A O no hydrogen 2.898 N/A GLU 170.A N GLY 231.A O no hydrogen 2.812 N/A SER 172.A OG ILE 174.A O no hydrogen 2.680 N/A GLN 173.A N GLN 173.A OE1 no hydrogen 2.749 N/A GLN 173.A NE2 TRP 208.A O no hydrogen 2.930 N/A ILE 174.A N SER 172.A OG no hydrogen 2.792 N/A TYR 178.A N ARG 175.A O no hydrogen 2.884 N/A LEU 179.A N ARG 175.A O no hydrogen 3.428 N/A GLN 180.A N ASP 176.A O no hydrogen 2.773 N/A GLN 180.A NE2 VAL 167.A O no hydrogen 2.784 N/A GLN 180.A NE2 ASP 176.A OD1 no hydrogen 3.261 N/A ASN 181.A N GLU 177.A O no hydrogen 3.249 N/A ASN 181.A N TYR 178.A O no hydrogen 3.290 N/A LEU 182.A N LEU 179.A O no hydrogen 2.692 N/A LYS 186.A N ASP 189.A OD2 no hydrogen 2.856 N/A GLY 188.A N PHE 164.A O no hydrogen 2.698 N/A ASP 189.A N LYS 186.A O no hydrogen 3.061 N/A TYR 191.A N TYR 162.A O no hydrogen 2.894 N/A SER 193.A N ARG 128.A O no hydrogen 3.021 N/A LYS 194.A NZ GLU 192.A OE2 no hydrogen 3.301 N/A ASP 195.A N GLU 192.A O no hydrogen 2.866 N/A LEU 196.A N SER 193.A O no hydrogen 3.085 N/A GLU 198.A N LYS 194.A O no hydrogen 3.223 N/A LEU 199.A N ASP 195.A O no hydrogen 2.905 N/A ASN 200.A N LEU 196.A O no hydrogen 3.133 N/A ARG 201.A N ALA 197.A O no hydrogen 3.123 N/A ARG 201.A NE GLU 198.A OE1 no hydrogen 3.197 N/A ARG 201.A NH2 GLU 198.A OE1 no hydrogen 2.745 N/A ARG 201.A NH2 GLU 198.A OE2 no hydrogen 3.074 N/A ARG 202.A N GLU 198.A O no hydrogen 3.059 N/A ARG 202.A NE GLU 198.A OE2 no hydrogen 2.726 N/A ARG 202.A NH1 LEU 182.A O no hydrogen 3.071 N/A ARG 202.A NH2 GLU 198.A OE2 no hydrogen 3.216 N/A LEU 203.A N LEU 199.A O no hydrogen 3.123 N/A SER 204.A N ASN 200.A O no hydrogen 3.053 N/A SER 204.A OG ARG 201.A O no hydrogen 2.851 N/A ALA 205.A N ARG 201.A O no hydrogen 2.930 N/A THR 206.A N LEU 203.A O no hydrogen 3.319 N/A THR 206.A OG1 LEU 203.A O no hydrogen 2.830 N/A GLY 207.A N SER 204.A O no hydrogen 3.174 N/A TRP 208.A N THR 206.A OG1 no hydrogen 2.992 N/A ASN 210.A N SER 234.A O no hydrogen 2.897 N/A VAL 213.A N VAL 232.A O no hydrogen 2.752 N/A ALA 215.A N THR 230.A O no hydrogen 2.986 N/A GLN 217.A N PRO 228.A O no hydrogen 2.643 N/A GLN 217.A NE2 ALA 215.A O no hydrogen 2.717 N/A ARG 222.A N PHE 218.A O no hydrogen 3.204 N/A ARG 222.A NH1 TYR 162.A OH no hydrogen 3.569 N/A GLU 223.A N LYS 220.A O no hydrogen 3.084 N/A THR 224.A N ALA 221.A O no hydrogen 3.317 N/A THR 224.A OG1 VAL 226.A O no hydrogen 3.471 N/A LYS 225.A N ALA 221.A O no hydrogen 2.787 N/A LYS 225.A NZ ASP 133.A OD2 no hydrogen 2.740 N/A LYS 225.A NZ ARG 222.A O no hydrogen 2.580 N/A VAL 226.A N THR 224.A OG1 no hydrogen 3.249 N/A LEU 227.A N ARG 163.A O no hydrogen 2.591 N/A LEU 229.A N HIS 166.A O no hydrogen 3.080 N/A THR 230.A N ALA 215.A O no hydrogen 2.917 N/A GLY 231.A N THR 168.A O no hydrogen 2.768 N/A VAL 232.A N VAL 213.A O no hydrogen 2.896 N/A VAL 233.A N GLU 170.A O no hydrogen 2.881 N/A SER 234.A N SER 211.A O no hydrogen 2.956 N/A ARG 236.A N TRP 208.A O no hydrogen 2.914 N/A ARG 236.A NE GLY 207.A O no hydrogen 3.452 N/A THR 237.A N GLU 238.A OE1 no hydrogen 2.735 N/A THR 237.A OG1 GLU 238.A OE1 no hydrogen 3.321 N/A