Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N THR 48.A OG1 no hydrogen 2.939 N/A TRP 8.A N GLY 5.A O no hydrogen 3.021 N/A TRP 8.A NE1 CYS 51.A O no hydrogen 2.795 N/A LYS 9.A N GLY 5.A O no hydrogen 3.006 N/A LYS 9.A NZ GLU 6.A OE2 no hydrogen 3.268 N/A LYS 10.A N GLU 6.A O no hydrogen 3.050 N/A HIS 11.A N TRP 8.A O no hydrogen 3.265 N/A SER 13.A N LYS 9.A O no hydrogen 2.865 N/A SER 13.A OG LYS 10.A O no hydrogen 3.506 N/A GLU 15.A N LEU 12.A O no hydrogen 2.937 N/A PHE 16.A N SER 13.A O no hydrogen 3.001 N/A LYS 18.A N GLU 15.A O no hydrogen 3.029 N/A LYS 18.A NZ GLU 15.A OE2 no hydrogen 2.884 N/A TYR 20.A OH GLU 15.A OE1 no hydrogen 2.609 N/A PHE 21.A N LYS 18.A O no hydrogen 3.025 N/A ILE 22.A N LYS 18.A O no hydrogen 3.083 N/A LYS 23.A N PRO 19.A O no hydrogen 2.871 N/A LEU 24.A N TYR 20.A O no hydrogen 2.833 N/A MET 25.A N PHE 21.A O no hydrogen 2.883 N/A GLY 26.A N ILE 22.A O no hydrogen 3.014 N/A PHE 27.A N LYS 23.A O no hydrogen 2.961 N/A VAL 28.A N LEU 24.A O no hydrogen 3.008 N/A ALA 29.A N MET 25.A O no hydrogen 3.071 N/A GLU 30.A N GLY 26.A O no hydrogen 3.081 N/A GLU 31.A N PHE 27.A O no hydrogen 2.943 N/A ARG 32.A N VAL 28.A O no hydrogen 2.934 N/A ARG 32.A NH1 VAL 37.A O no hydrogen 3.038 N/A ARG 32.A NH1 PRO 39.A O no hydrogen 3.252 N/A ARG 32.A NH2 PRO 39.A O no hydrogen 2.871 N/A LYS 33.A N GLU 30.A O no hydrogen 3.201 N/A HIS 34.A N GLU 31.A O no hydrogen 2.975 N/A HIS 34.A NE2 GLU 30.A OE2 no hydrogen 2.798 N/A TYR 35.A N GLU 31.A O no hydrogen 2.696 N/A TYR 38.A N VAL 128.A O no hydrogen 2.789 N/A GLN 43.A N PRO 40.A O no hydrogen 2.843 N/A VAL 44.A N PRO 41.A O no hydrogen 3.508 N/A THR 46.A N GLN 43.A O no hydrogen 3.298 N/A THR 46.A OG1 GLN 43.A O no hydrogen 2.899 N/A THR 46.A OG1 HIS 73.A O no hydrogen 2.532 N/A TRP 47.A NE1 VAL 44.A O no hydrogen 2.957 N/A THR 48.A N PHE 45.A O no hydrogen 2.980 N/A THR 48.A OG1 PHE 45.A O no hydrogen 2.730 N/A GLN 49.A N THR 46.A O no hydrogen 2.854 N/A CYS 51.A SG ASP 52.A O no hydrogen 3.469 N/A CYS 51.A SG ALA 115.A O no hydrogen 3.761 N/A ILE 53.A N SER 7.A OG no hydrogen 2.970 N/A LYS 54.A N ASP 52.A OD1 no hydrogen 3.002 N/A ASP 55.A N ASP 52.A O no hydrogen 2.855 N/A VAL 56.A N ILE 53.A O no hydrogen 3.436 N/A LYS 57.A N GLY 118.A O no hydrogen 2.759 N/A LYS 57.A NZ LYS 216.A O no hydrogen 2.663 N/A VAL 58.A N GLY 118.A O no hydrogen 3.187 N/A VAL 59.A N VAL 160.A O no hydrogen 2.897 N/A ILE 60.A N LEU 120.A O no hydrogen 2.877 N/A LEU 61.A N LEU 162.A O no hydrogen 2.934 N/A GLY 62.A N LEU 122.A O no hydrogen 2.884 N/A GLN 63.A NE2 ASP 64.A OD2 no hydrogen 2.782 N/A TYR 66.A OH PHE 77.A O no hydrogen 2.760 N/A GLN 71.A N GLY 68.A O no hydrogen 3.412 N/A HIS 73.A NE2 SER 78.A OG no hydrogen 2.701 N/A CYS 76.A N LEU 121.A O no hydrogen 3.026 N/A CYS 76.A SG ILE 60.A O no hydrogen 3.493 N/A CYS 76.A SG LEU 122.A O no hydrogen 3.491 N/A SER 78.A N LEU 75.A O no hydrogen 3.243 N/A SER 78.A OG HIS 73.A NE2 no hydrogen 2.701 N/A SER 78.A OG GLY 109.A O no hydrogen 3.339 N/A VAL 79.A N GLY 109.A O no hydrogen 2.838 N/A VAL 83.A N GLN 80.A O no hydrogen 2.973 N/A GLU 90.A N PRO 86.A O no hydrogen 3.066 N/A ASN 91.A N PRO 87.A O no hydrogen 3.163 N/A ASN 91.A ND2 PRO 188.A O no hydrogen 2.667 N/A ILE 92.A N SER 88.A O no hydrogen 3.117 N/A TYR 93.A N LEU 89.A O no hydrogen 2.916 N/A TYR 93.A OH HIS 108.A O no hydrogen 2.681 N/A LYS 94.A N GLU 90.A O no hydrogen 2.904 N/A GLU 95.A N ASN 91.A O no hydrogen 3.040 N/A LEU 96.A N ILE 92.A O no hydrogen 2.906 N/A SER 97.A N TYR 93.A O no hydrogen 2.948 N/A SER 97.A OG TYR 93.A O no hydrogen 3.247 N/A THR 98.A N GLU 95.A O no hydrogen 3.153 N/A THR 98.A OG1 GLU 95.A O no hydrogen 2.891 N/A ASP 99.A N GLU 95.A O no hydrogen 2.824 N/A ILE 100.A N LEU 96.A O no hydrogen 2.701 N/A PHE 103.A N ILE 100.A O no hydrogen 3.140 N/A HIS 105.A NE2 GLU 90.A OE2 no hydrogen 2.983 N/A GLY 107.A N HIS 105.A ND1 no hydrogen 2.819 N/A ASP 110.A N HIS 108.A ND1 no hydrogen 2.937 N/A LEU 111.A N SER 78.A OG no hydrogen 2.869 N/A SER 112.A N ASP 110.A OD1 no hydrogen 2.982 N/A SER 112.A OG ASP 110.A OD1 no hydrogen 2.568 N/A TRP 114.A N LEU 111.A O no hydrogen 3.037 N/A TRP 114.A NE1 TRP 220.A O no hydrogen 2.897 N/A ALA 115.A N LEU 111.A O no hydrogen 3.340 N/A LYS 116.A N SER 112.A O no hydrogen 2.904 N/A GLN 117.A N TRP 114.A O no hydrogen 2.939 N/A GLN 117.A NE2 GLY 113.A O no hydrogen 3.206 N/A GLN 117.A NE2 ASP 219.A O no hydrogen 2.917 N/A GLN 117.A NE2 GLU 222.A O no hydrogen 3.602 N/A GLY 118.A N ALA 115.A O no hydrogen 3.020 N/A VAL 119.A N TRP 114.A O no hydrogen 3.318 N/A LEU 120.A N VAL 58.A O no hydrogen 2.826 N/A LEU 122.A N ILE 60.A O no hydrogen 2.962 N/A ALA 124.A N GLY 62.A O no hydrogen 2.973 N/A VAL 125.A N GLN 63.A O no hydrogen 3.034 N/A THR 127.A OG1 HIS 136.A ND1 no hydrogen 2.756 N/A VAL 128.A N TYR 38.A O no hydrogen 2.894 N/A ARG 129.A N SER 135.A OG no hydrogen 2.962 N/A ARG 129.A NE GLU 31.A OE1 no hydrogen 3.010 N/A ARG 129.A NH1 GLN 132.A OE1 no hydrogen 3.359 N/A ARG 129.A NH2 GLU 31.A OE1 no hydrogen 3.418 N/A ARG 129.A NH2 GLU 31.A OE2 no hydrogen 2.870 N/A ALA 130.A N THR 36.A O no hydrogen 2.752 N/A HIS 131.A N HIS 67.A O no hydrogen 2.793 N/A GLN 132.A N ARG 129.A O no hydrogen 3.021 N/A ASN 134.A N ASP 64.A OD1 no hydrogen 2.619 N/A SER 135.A N GLN 132.A O no hydrogen 3.125 N/A SER 135.A OG GLN 132.A O no hydrogen 2.637 N/A HIS 136.A ND1 THR 127.A OG1 no hydrogen 2.756 N/A HIS 136.A NE2 GLU 31.A OE1 no hydrogen 2.804 N/A LYS 137.A N ASN 134.A O no hydrogen 3.342 N/A LYS 137.A NZ TYR 167.A OH no hydrogen 3.037 N/A GLU 138.A N GLU 142.A OE1 no hydrogen 3.131 N/A GLU 138.A N GLU 142.A OE2 no hydrogen 2.824 N/A TRP 141.A NE1 THR 127.A OG1 no hydrogen 2.725 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.681 N/A THR 145.A N TRP 141.A O no hydrogen 2.888 N/A THR 145.A OG1 ALA 124.A O no hydrogen 2.857 N/A THR 145.A OG1 TRP 141.A O no hydrogen 3.138 N/A THR 145.A OG1 GLU 142.A O no hydrogen 3.298 N/A ASP 146.A N GLU 142.A O no hydrogen 2.935 N/A ALA 147.A N GLN 143.A O no hydrogen 3.116 N/A VAL 148.A N PHE 144.A O no hydrogen 3.165 N/A VAL 149.A N THR 145.A O no hydrogen 3.063 N/A SER 150.A N ASP 146.A O no hydrogen 2.811 N/A TRP 151.A N ALA 147.A O no hydrogen 3.075 N/A LEU 152.A N VAL 148.A O no hydrogen 3.203 N/A ASN 153.A N VAL 149.A O no hydrogen 2.891 N/A GLN 154.A N SER 150.A O no hydrogen 3.111 N/A ASN 155.A N TRP 151.A O no hydrogen 2.887 N/A SER 156.A N LEU 152.A O no hydrogen 3.055 N/A GLY 158.A N ARG 179.A O no hydrogen 2.925 N/A LEU 159.A N HIS 180.A ND1 no hydrogen 3.000 N/A VAL 160.A N LYS 57.A O no hydrogen 3.174 N/A PHE 161.A N HIS 181.A O no hydrogen 2.673 N/A LEU 162.A N VAL 59.A O no hydrogen 2.708 N/A LEU 163.A N LEU 183.A O no hydrogen 2.889 N/A TRP 164.A N LEU 61.A O no hydrogen 3.143 N/A TRP 164.A NE1 HIS 202.A ND1 no hydrogen 3.115 N/A GLY 165.A N THR 185.A O no hydrogen 2.976 N/A GLN 169.A N GLY 165.A O no hydrogen 3.024 N/A GLN 169.A NE2 LEU 163.A O no hydrogen 3.353 N/A LYS 170.A N TYR 167.A O no hydrogen 3.141 N/A LYS 171.A N ALA 168.A O no hydrogen 3.089 N/A LYS 171.A NZ GLU 142.A O no hydrogen 3.118 N/A LYS 171.A NZ THR 145.A OG1 no hydrogen 2.918 N/A LYS 171.A NZ ASP 146.A OD1 no hydrogen 2.776 N/A GLY 172.A N GLN 169.A O no hydrogen 3.159 N/A ALA 174.A N LYS 171.A O no hydrogen 3.096 N/A ILE 175.A N GLY 172.A O no hydrogen 3.119 N/A ASP 176.A N ASN 153.A OD1 no hydrogen 2.775 N/A ARG 177.A NE GLY 172.A O no hydrogen 3.183 N/A ARG 177.A NH2 GLN 184.A OE1 no hydrogen 3.404 N/A LYS 178.A N ASP 176.A OD1 no hydrogen 2.985 N/A ARG 179.A N ASP 176.A OD1 no hydrogen 3.278 N/A ARG 179.A NE ASN 157.A OD1 no hydrogen 3.235 N/A ARG 179.A NH2 GLN 154.A O no hydrogen 3.333 N/A ARG 179.A NH2 ASN 157.A OD1 no hydrogen 3.316 N/A HIS 180.A N ASP 176.A O no hydrogen 2.953 N/A HIS 180.A NE2 ASN 153.A O no hydrogen 2.925 N/A HIS 181.A N LEU 159.A O no hydrogen 2.881 N/A LEU 183.A N PHE 161.A O no hydrogen 2.764 N/A THR 185.A N LEU 163.A O no hydrogen 3.240 N/A SER 189.A N HIS 187.A ND1 no hydrogen 2.993 N/A SER 192.A N SER 189.A O no hydrogen 2.822 N/A SER 192.A OG HIS 187.A O no hydrogen 2.794 N/A SER 192.A OG SER 189.A O no hydrogen 3.527 N/A VAL 193.A N SER 189.A O no hydrogen 2.741 N/A ARG 195.A N SER 192.A O no hydrogen 2.891 N/A GLY 199.A N GLU 95.A OE1 no hydrogen 2.670 N/A CYS 200.A N PHE 197.A O no hydrogen 3.178 N/A CYS 200.A SG PHE 197.A O no hydrogen 3.180 N/A ARG 201.A N GLU 95.A OE2 no hydrogen 2.942 N/A ARG 201.A NE ASP 99.A OD1 no hydrogen 2.665 N/A ARG 201.A NH2 ASP 99.A O no hydrogen 2.971 N/A ARG 201.A NH2 ASP 99.A OD1 no hydrogen 3.063 N/A SER 204.A N ASP 99.A OD2 no hydrogen 2.758 N/A SER 204.A OG ASP 99.A OD1 no hydrogen 2.592 N/A SER 204.A OG ASP 99.A OD2 no hydrogen 3.427 N/A SER 204.A OG ARG 201.A O no hydrogen 3.235 N/A LYS 205.A N ARG 201.A O no hydrogen 3.043 N/A THR 206.A N HIS 202.A O no hydrogen 2.797 N/A THR 206.A OG1 HIS 202.A O no hydrogen 2.605 N/A ASN 207.A N PHE 203.A O no hydrogen 3.347 N/A ASN 207.A ND2 ILE 218.A O no hydrogen 3.024 N/A GLU 208.A N SER 204.A O no hydrogen 3.091 N/A LEU 209.A N LYS 205.A O no hydrogen 3.165 N/A LEU 210.A N THR 206.A O no hydrogen 3.057 N/A GLN 211.A N ASN 207.A O no hydrogen 2.843 N/A LYS 212.A N GLU 208.A O no hydrogen 2.949 N/A SER 213.A N LEU 209.A O no hydrogen 3.189 N/A SER 213.A OG LEU 209.A O no hydrogen 3.389 N/A SER 213.A OG LEU 210.A O no hydrogen 3.100 N/A GLY 214.A N GLN 211.A O no hydrogen 3.102 N/A LYS 215.A N LEU 210.A O no hydrogen 2.722 N/A LYS 215.A NZ ASN 157.A O no hydrogen 2.997 N/A ILE 218.A N ASN 207.A OD1 no hydrogen 2.761 N/A ASP 219.A N GLN 117.A OE1 no hydrogen 2.956 N/A LYS 221.A N ASP 219.A OD1 no hydrogen 3.188 N/A LYS 221.A NZ ASP 219.A OD1 no hydrogen 2.907 N/A GLU 222.A N ASP 219.A O no hydrogen 3.077 N/A LEU 223.A N LYS 221.A O no hydrogen 2.930 N/A