Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q3c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N GLU 4.A O no hydrogen 2.417 N/A ARG 6.A NH1 VAL 46.A O no hydrogen 3.119 N/A ARG 6.A NH2 GLU 13.A OE1 no hydrogen 3.372 N/A ALA 9.A N ILE 5.A O no hydrogen 3.151 N/A ASP 10.A N ARG 6.A O no hydrogen 3.149 N/A ASN 11.A N ARG 7.A O no hydrogen 3.077 N/A LEU 12.A N ALA 8.A O no hydrogen 3.115 N/A GLU 13.A N ALA 9.A O no hydrogen 3.024 N/A ALA 14.A N ASP 10.A O no hydrogen 2.887 N/A ALA 15.A N ASN 11.A O no hydrogen 3.193 N/A ILE 16.A N LEU 12.A O no hydrogen 3.002 N/A LYS 17.A N GLU 13.A O no hydrogen 2.799 N/A GLY 18.A N VAL 43.A O no hydrogen 2.925 N/A LYS 19.A N ILE 16.A O no hydrogen 3.093 N/A LYS 19.A NZ ALA 15.A O no hydrogen 3.103 N/A LYS 19.A NZ ASP 93.A OD1 no hydrogen 3.569 N/A LYS 19.A NZ ASP 93.A OD2 no hydrogen 3.002 N/A LEU 21.A N GLN 41.A O no hydrogen 2.724 N/A THR 22.A N GLN 90.A O no hydrogen 2.730 N/A THR 22.A OG1 GLN 90.A O no hydrogen 3.062 N/A ASP 23.A N GLN 90.A O no hydrogen 3.337 N/A TRP 25.A N LYS 88.A O no hydrogen 2.918 N/A PHE 26.A N GLN 35.A OE1 no hydrogen 3.000 N/A ALA 27.A N ARG 86.A O.A no hydrogen 2.852 N/A ALA 27.A N ARG 86.A O.B no hydrogen 2.935 N/A GLN 30.A N GLN 30.A OE1 no hydrogen 2.499 N/A LEU 31.A N PHE 28.A O no hydrogen 2.900 N/A LYS 32.A N PRO 29.A O no hydrogen 3.299 N/A LYS 32.A NZ PHE 26.A O no hydrogen 3.036 N/A LYS 32.A NZ GLN 35.A OE1 no hydrogen 3.441 N/A TYR 34.A N LEU 31.A O no hydrogen 2.981 N/A GLN 35.A N LYS 32.A O no hydrogen 3.181 N/A GLN 37.A NE2 THR 33.A O no hydrogen 3.496 N/A LEU 38.A N TYR 34.A O no hydrogen 3.023 N/A LEU 38.A N GLN 35.A O no hydrogen 3.110 N/A GLY 40.A N LEU 21.A O no hydrogen 2.902 N/A GLN 41.A N LEU 38.A O no hydrogen 2.864 N/A HIS 42.A N SER 58.A OG no hydrogen 2.950 N/A THR 44.A N HIS 56.A O no hydrogen 2.868 N/A THR 44.A OG1 HIS 45.A ND1 no hydrogen 2.699 N/A HIS 45.A ND1 THR 44.A OG1 no hydrogen 2.699 N/A VAL 46.A N GLU 13.A OE2 no hydrogen 2.650 N/A GLU 47.A N LEU 54.A O no hydrogen 2.757 N/A THR 48.A OG1.B ILE 5.A O no hydrogen 3.401 N/A ARG 49.A N.A ALA 52.A O no hydrogen 2.990 N/A ARG 49.A N.B ALA 52.A O no hydrogen 2.919 N/A ARG 49.A NE.A VAL 121.A O.A no hydrogen 2.527 N/A ARG 49.A NE.A VAL 121.A O.B no hydrogen 2.496 N/A ARG 49.A NE.B GLU 47.A OE2 no hydrogen 2.549 N/A ARG 49.A NH1.A GLU 47.A OE2 no hydrogen 2.988 N/A ARG 49.A NH1.B LEU 118.A O no hydrogen 3.421 N/A ARG 49.A NH2.A VAL 121.A O.A no hydrogen 2.628 N/A ARG 49.A NH2.A VAL 121.A O.B no hydrogen 2.621 N/A ALA 52.A N ARG 49.A O.A no hydrogen 3.193 N/A ALA 52.A N ARG 49.A O.B no hydrogen 2.973 N/A LEU 53.A N SER 65.A O.A no hydrogen 2.930 N/A LEU 53.A N SER 65.A O.B no hydrogen 2.914 N/A LEU 54.A N GLU 47.A O no hydrogen 2.777 N/A THR 55.A N LEU 63.A O no hydrogen 2.756 N/A HIS 56.A N HIS 45.A O no hydrogen 3.013 N/A HIS 56.A ND1 THR 62.A OG1 no hydrogen 2.768 N/A HIS 56.A NE2 GLU 47.A OE1 no hydrogen 3.010 N/A PHE 57.A N LEU 61.A O no hydrogen 2.925 N/A SER 58.A N HIS 42.A O no hydrogen 2.787 N/A SER 58.A OG GLN 41.A OE1 no hydrogen 2.669 N/A SER 58.A OG HIS 42.A O no hydrogen 3.427 N/A ASP 60.A N PHE 57.A O no hydrogen 3.038 N/A LEU 61.A N ASN 59.A OD1 no hydrogen 3.093 N/A THR 62.A N LEU 107.A O no hydrogen 2.921 N/A THR 62.A OG1 HIS 56.A ND1 no hydrogen 2.768 N/A LEU 63.A N THR 55.A O no hydrogen 2.791 N/A TYR 64.A N GLU 105.A O no hydrogen 2.774 N/A SER 65.A N.A LEU 53.A O no hydrogen 3.085 N/A SER 65.A N.B LEU 53.A O no hydrogen 3.081 N/A HIS 66.A N ASP 103.A O no hydrogen 2.992 N/A GLN 68.A N HIS 66.A ND1 no hydrogen 3.093 N/A GLN 68.A NE2 ASP 103.A OD2 no hydrogen 3.368 N/A GLY 71.A N ASN 67.A O no hydrogen 3.007 N/A VAL 72.A N.A TYR 99.A O no hydrogen 2.959 N/A VAL 72.A N.B TYR 99.A O no hydrogen 2.936 N/A ARG 74.A N LEU 97.A O no hydrogen 2.881 N/A VAL 76.A N THR 95.A O no hydrogen 2.953 N/A THR 78.A N ASP 93.A O no hydrogen 2.690 N/A THR 78.A OG1 THR 91.A O no hydrogen 2.424 N/A THR 78.A OG1 ALA 92.A O no hydrogen 3.340 N/A THR 78.A OG1 THR 95.A OG1 no hydrogen 3.005 N/A GLU 80.A N ASP 77.A O no hydrogen 3.233 N/A THR 81.A OG1 THR 81.A O no hydrogen 2.446 N/A ARG 83.A N THR 81.A O no hydrogen 2.405 N/A ARG 83.A NH1 TYR 70.A O no hydrogen 3.389 N/A ARG 83.A NH1 SER 100.A OG no hydrogen 3.185 N/A ARG 86.A N.A LEU 98.A O no hydrogen 2.859 N/A ARG 86.A N.B LEU 98.A O no hydrogen 2.856 N/A ARG 86.A NH1.B ALA 101.A O no hydrogen 2.480 N/A VAL 87.A N LEU 98.A O no hydrogen 3.398 N/A LYS 88.A N TRP 25.A O no hydrogen 2.836 N/A LEU 89.A N ILE 96.A O no hydrogen 3.008 N/A GLN 90.A N ASP 23.A O no hydrogen 3.012 N/A GLN 90.A NE2 THR 22.A OG1 no hydrogen 3.399 N/A THR 91.A N LYS 94.A O no hydrogen 2.916 N/A THR 91.A OG1 LYS 94.A O no hydrogen 2.524 N/A ASP 93.A N ASP 93.A OD1 no hydrogen 2.622 N/A LYS 94.A NZ ASP 77.A OD1 no hydrogen 2.831 N/A THR 95.A N VAL 76.A O no hydrogen 2.997 N/A THR 95.A OG1 THR 78.A OG1 no hydrogen 3.005 N/A ILE 96.A N LEU 89.A O no hydrogen 2.891 N/A LEU 97.A N ARG 74.A O no hydrogen 2.872 N/A LEU 98.A N VAL 87.A O no hydrogen 2.885 N/A TYR 99.A N VAL 72.A O.A no hydrogen 2.898 N/A TYR 99.A N VAL 72.A O.B no hydrogen 2.821 N/A SER 100.A N VAL 84.A O no hydrogen 2.994 N/A ALA 101.A N TYR 99.A O no hydrogen 2.783 N/A ILE 104.A N SER 102.A O no hydrogen 3.001 N/A GLU 105.A N TYR 64.A O no hydrogen 3.052 N/A LEU 107.A N THR 62.A O no hydrogen 2.830 N/A ARG 108.A N GLN 111.A OE1 no hydrogen 2.956 N/A ARG 108.A NE GLU 110.A OE2 no hydrogen 2.774 N/A GLN 111.A N ARG 108.A O no hydrogen 2.770 N/A LEU 112.A N PRO 109.A O no hydrogen 2.984 N/A THR 114.A N GLN 111.A O no hydrogen 3.194 N/A THR 114.A OG1 GLN 111.A O no hydrogen 3.254 N/A HIS 115.A N GLN 111.A O no hydrogen 3.150 N/A HIS 115.A N LEU 112.A O no hydrogen 3.136 N/A HIS 115.A NE2 GLU 105.A OE2 no hydrogen 2.848 N/A PHE 117.A N HIS 115.A ND1 no hydrogen 3.210 N/A LEU 118.A N HIS 115.A ND1 no hydrogen 3.489 N/A GLN 119.A N HIS 115.A O no hydrogen 2.904 N/A GLN 119.A NE2 THR 113.A O no hydrogen 3.164 N/A ARG 120.A N PHE 117.A O no hydrogen 3.025 N/A VAL 121.A N.A LEU 118.A O no hydrogen 3.380 N/A VAL 121.A N.B LEU 118.A O no hydrogen 3.378 N/A GLY 122.A N GLN 156.A O no hydrogen 2.961 N/A VAL 125.A N ALA 160.A O no hydrogen 3.087 N/A ASP 127.A N ASP 124.A O no hydrogen 2.855 N/A ASN 129.A ND2 GLU 13.A OE2 no hydrogen 2.984 N/A ASN 129.A ND2 VAL 46.A O no hydrogen 3.322 N/A LEU 130.A N ASP 127.A O no hydrogen 2.779 N/A THR 131.A OG1 GLU 133.A OE1 no hydrogen 3.239 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.471 N/A VAL 134.A N THR 131.A O no hydrogen 2.782 N/A VAL 134.A N THR 131.A OG1 no hydrogen 3.311 N/A VAL 135.A N THR 131.A O no hydrogen 3.128 N/A LYS 136.A N PRO 132.A O no hydrogen 3.068 N/A LYS 136.A NZ ASP 191.A OD1 no hydrogen 2.798 N/A GLU 137.A N GLU 133.A O no hydrogen 3.241 N/A ARG 138.A N VAL 134.A O no hydrogen 3.074 N/A ARG 138.A NE PHE 158.A O no hydrogen 2.896 N/A ARG 138.A NH2 ALA 157.A O no hydrogen 2.965 N/A ARG 138.A NH2 PHE 158.A O no hydrogen 3.384 N/A LEU 139.A N VAL 135.A O no hydrogen 2.805 N/A LEU 140.A N LYS 136.A O no hydrogen 2.718 N/A SER 141.A N GLU 137.A O no hydrogen 2.599 N/A SER 141.A OG ARG 138.A O no hydrogen 2.449 N/A ARG 143.A NH2 GLN 119.A O no hydrogen 2.270 N/A PHE 144.A N SER 141.A O no hydrogen 3.036 N/A ARG 145.A N SER 141.A O no hydrogen 3.089 N/A ARG 145.A NH1 LEU 140.A O no hydrogen 3.494 N/A ARG 147.A N PHE 144.A O no hydrogen 2.667 N/A ARG 147.A NH2 ASP 155.A OD2 no hydrogen 3.314 N/A PHE 149.A N HIS 180.A O no hydrogen 2.988 N/A ALA 150.A N GLY 178.A O no hydrogen 3.006 N/A GLY 151.A N GLN 148.A O no hydrogen 3.343 N/A LEU 152.A N GLN 148.A O no hydrogen 3.092 N/A LEU 153.A N PHE 149.A O no hydrogen 3.133 N/A LEU 154.A N GLY 151.A O no hydrogen 2.713 N/A ASP 155.A N LEU 152.A O no hydrogen 3.129 N/A ALA 157.A N ASP 155.A OD1 no hydrogen 2.780 N/A PHE 158.A N ASP 155.A O no hydrogen 2.952 N/A LEU 159.A N ASP 155.A O no hydrogen 3.461 N/A ALA 160.A N PRO 123.A O.A no hydrogen 2.894 N/A ALA 160.A N PRO 123.A O.B no hydrogen 2.819 N/A ASN 164.A ND2 PRO 241.A O no hydrogen 3.222 N/A LEU 166.A N GLY 163.A O no hydrogen 2.599 N/A ARG 167.A N GLY 163.A O no hydrogen 3.077 N/A ARG 167.A NE ASN 164.A OD1 no hydrogen 2.712 N/A ARG 167.A NH1 ALA 150.A O no hydrogen 2.451 N/A ARG 167.A NH2 ASN 164.A OD1 no hydrogen 2.484 N/A VAL 168.A N ASN 164.A O no hydrogen 3.132 N/A ILE 170.A N LEU 166.A O no hydrogen 2.924 N/A LEU 171.A N ARG 167.A O no hydrogen 3.251 N/A TRP 172.A N VAL 168.A O no hydrogen 3.227 N/A GLN 173.A N GLU 169.A O no hydrogen 3.020 N/A GLY 175.A N TRP 172.A O no hydrogen 3.283 N/A LEU 176.A N LEU 171.A O no hydrogen 2.929 N/A THR 177.A N HIS 250.A OXT no hydrogen 3.248 N/A THR 177.A OG1 ASN 179.A OD1 no hydrogen 2.494 N/A THR 177.A OG1 HIS 180.A ND1 no hydrogen 3.309 N/A HIS 180.A N THR 177.A O no hydrogen 3.445 N/A LYS 181.A N ASP 184.A OD2.B no hydrogen 3.030 N/A LYS 183.A NZ ASN 146.A OD1 no hydrogen 3.134 N/A ASP 184.A N.A LYS 181.A O no hydrogen 2.905 N/A ASP 184.A N.B LYS 181.A O no hydrogen 2.914 N/A ASN 186.A N GLN 189.A OE1 no hydrogen 3.218 N/A GLN 189.A N ASN 186.A OD1 no hydrogen 2.909 N/A LEU 190.A N ASN 186.A O no hydrogen 2.928 N/A ASP 191.A N ALA 187.A O no hydrogen 2.997 N/A ALA 192.A N ALA 188.A O no hydrogen 3.090 N/A LEU 193.A N GLN 189.A O no hydrogen 2.934 N/A ALA 194.A N LEU 190.A O no hydrogen 2.946 N/A HIS 195.A N ASP 191.A O no hydrogen 3.043 N/A ALA 196.A N ALA 192.A O no hydrogen 3.076 N/A LEU 197.A N LEU 193.A O no hydrogen 2.861 N/A LEU 198.A N HIS 195.A O no hydrogen 3.045 N/A GLU 199.A N HIS 195.A O no hydrogen 2.709 N/A ILE 200.A N ALA 196.A O no hydrogen 3.272 N/A ARG 202.A N LEU 198.A O no hydrogen 3.026 N/A ARG 202.A NE VAL 125.A O no hydrogen 2.746 N/A ARG 202.A NH2 VAL 125.A O no hydrogen 3.294 N/A ARG 202.A NH2 LEU 130.A O no hydrogen 2.867 N/A PHE 203.A N GLU 199.A O no hydrogen 2.690 N/A SER 204.A N ILE 200.A O no hydrogen 2.915 N/A SER 204.A N PRO 201.A O no hydrogen 3.189 N/A TYR 205.A N PRO 201.A O no hydrogen 3.195 N/A ALA 206.A N ARG 202.A O no hydrogen 3.121 N/A THR 207.A N TYR 205.A O no hydrogen 2.477 N/A HIS 213.A N GLU 210.A O no hydrogen 3.039 N/A HIS 214.A N GLU 210.A O no hydrogen 2.848 N/A ARG 219.A NE ALA 216.A O no hydrogen 2.589 N/A LYS 221.A N GLU 169.A OE1 no hydrogen 2.873 N/A LYS 221.A N GLU 169.A OE2 no hydrogen 2.831 N/A VAL 222.A N GLU 169.A OE2 no hydrogen 3.035 N/A PHE 223.A N GLU 169.A OE2 no hydrogen 3.194 N/A ARG 225.A NE LYS 221.A O no hydrogen 3.239 N/A ARG 225.A NH2 PRO 229.A O no hydrogen 3.250 N/A GLY 227.A N ILE 237.A O.A no hydrogen 2.707 N/A GLY 227.A N ILE 237.A O.B no hydrogen 2.715 N/A GLU 228.A N ARG 225.A O no hydrogen 2.914 N/A CYS 230.A N SER 235.A O no hydrogen 2.771 N/A CYS 233.A SG SER 235.A OG no hydrogen 3.209 N/A ILE 237.A N.A GLU 228.A O no hydrogen 2.771 N/A ILE 237.A N.B GLU 228.A O no hydrogen 2.767 N/A GLU 238.A N TRP 244.A O no hydrogen 2.884 N/A THR 240.A N PHE 242.A O no hydrogen 3.079 N/A PHE 242.A N THR 240.A OG1 no hydrogen 2.639 N/A TRP 244.A N GLU 238.A O no hydrogen 3.258 N/A CYS 245.A N GLN 249.A OE1 no hydrogen 2.938 N/A GLN 249.A N CYS 245.A O no hydrogen 3.071 N/A GLN 249.A NE2 LEU 176.A O no hydrogen 2.793 N/A HIS 250.A N GLY 175.A O no hydrogen 3.196 N/A