Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qic_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N THR 4.A OG1 no hydrogen 3.003 N/A THR 4.A N SER 1.A OG no hydrogen 3.153 N/A THR 4.A OG1 SER 1.A O no hydrogen 3.017 N/A ARG 5.A N SER 1.A O no hydrogen 3.000 N/A ARG 5.A NE ASP 51.A OD2 no hydrogen 3.010 N/A ARG 5.A NH2 ASP 51.A OD1 no hydrogen 2.848 N/A ILE 6.A N LEU 2.A O no hydrogen 2.832 N/A ALA 7.A N SER 3.A O no hydrogen 3.003 N/A HIS 9.A N ILE 6.A O no hydrogen 2.903 N/A LEU 10.A N ALA 7.A O no hydrogen 3.051 N/A LEU 13.A N HIS 9.A O no hydrogen 2.900 N/A ARG 14.A N LEU 10.A O no hydrogen 2.804 N/A ARG 14.A NE ASP 28.A OD1 no hydrogen 3.029 N/A ARG 14.A NH2 ASP 28.A OD2 no hydrogen 3.280 N/A ARG 15.A N PRO 11.A O no hydrogen 3.300 N/A ARG 15.A NE GLU 90.A OE1 no hydrogen 2.785 N/A ARG 15.A NH2 GLU 90.A OE1 no hydrogen 3.295 N/A ARG 15.A NH2 GLU 90.A OE2 no hydrogen 2.762 N/A PHE 16.A N TYR 12.A O no hydrogen 2.980 N/A ALA 17.A N LEU 13.A O no hydrogen 2.861 N/A ARG 18.A N ARG 14.A O no hydrogen 2.927 N/A SER 19.A N ARG 15.A O no hydrogen 2.858 N/A SER 19.A OG ARG 15.A O no hydrogen 3.302 N/A SER 19.A OG PHE 16.A O no hydrogen 2.734 N/A VAL 20.A N PHE 16.A O no hydrogen 2.826 N/A THR 21.A N ALA 17.A O no hydrogen 3.009 N/A THR 21.A OG1 ALA 17.A O no hydrogen 2.631 N/A THR 21.A OG1 SER 23.A O no hydrogen 3.334 N/A GLY 22.A N ARG 18.A O no hydrogen 2.806 N/A SER 26.A N SER 23.A OG no hydrogen 3.045 N/A GLY 27.A N SER 23.A O no hydrogen 2.920 N/A ASP 28.A N GLN 24.A O no hydrogen 2.829 N/A ALA 29.A N SER 25.A O no hydrogen 3.048 N/A TYR 30.A N SER 26.A O no hydrogen 3.145 N/A VAL 31.A N GLY 27.A O no hydrogen 3.095 N/A SER 32.A N ASP 28.A O no hydrogen 2.761 N/A SER 32.A OG ASP 28.A O no hydrogen 2.912 N/A ALA 33.A N ALA 29.A O no hydrogen 3.002 N/A MET 34.A N TYR 30.A O no hydrogen 2.979 N/A LEU 35.A N VAL 31.A O no hydrogen 2.993 N/A GLU 36.A N SER 32.A O no hydrogen 2.865 N/A ALA 37.A N ALA 33.A O no hydrogen 2.826 N/A LEU 38.A N MET 34.A O no hydrogen 3.117 N/A VAL 39.A N LEU 35.A O no hydrogen 2.880 N/A ALA 40.A N GLU 36.A O no hydrogen 3.021 N/A ASP 41.A N ALA 37.A O no hydrogen 2.955 N/A SER 43.A N ASP 41.A OD1 no hydrogen 3.030 N/A SER 43.A OG ASP 41.A OD1 no hydrogen 2.465 N/A SER 43.A OG ASP 41.A OD2 no hydrogen 3.020 N/A ILE 44.A N ASP 41.A O no hydrogen 3.288 N/A PHE 45.A N ILE 42.A O no hydrogen 3.310 N/A SER 49.A N GLU 99.A OE2 no hydrogen 3.142 N/A SER 49.A OG GLU 99.A OE1 no hydrogen 2.563 N/A SER 49.A OG GLU 99.A OE2 no hydrogen 3.340 N/A ARG 52.A NH1 TYR 56.A OH no hydrogen 3.207 N/A ARG 52.A NH1 GLU 90.A O no hydrogen 2.961 N/A ARG 52.A NH2 GLU 90.A O no hydrogen 3.087 N/A GLY 54.A N CYS 50.A O no hydrogen 2.939 N/A THR 55.A N ASP 51.A O no hydrogen 2.935 N/A THR 55.A OG1 ASP 51.A O no hydrogen 2.728 N/A TYR 56.A N ARG 52.A O no hydrogen 3.068 N/A TYR 56.A OH GLU 90.A OE2 no hydrogen 2.552 N/A TRP 57.A N ILE 53.A O no hydrogen 2.766 N/A TRP 57.A NE1 ASN 102.A OD1 no hydrogen 2.818 N/A LEU 58.A N GLY 54.A O no hydrogen 3.040 N/A PHE 59.A N THR 55.A O no hydrogen 3.033 N/A CYS 60.A N TYR 56.A O no hydrogen 2.908 N/A CYS 60.A SG TYR 56.A O no hydrogen 3.476 N/A CYS 60.A SG GLN 82.A OE1 no hydrogen 3.243 N/A HIS 61.A N TRP 57.A O no hydrogen 2.857 N/A LEU 62.A N LEU 58.A O no hydrogen 2.915 N/A PHE 63.A N PHE 59.A O no hydrogen 2.896 N/A ASP 64.A N CYS 60.A O no hydrogen 3.174 N/A THR 69.A OG1 GLU 66.A O no hydrogen 2.920 N/A SER 70.A N GLU 66.A O no hydrogen 3.187 N/A ALA 71.A N GLN 67.A O no hydrogen 2.922 N/A LYS 72.A N LYS 68.A O no hydrogen 3.068 N/A LEU 73.A N THR 69.A O no hydrogen 2.907 N/A SER 74.A N SER 70.A O no hydrogen 2.803 N/A SER 74.A OG SER 70.A O no hydrogen 2.719 N/A SER 74.A OG ALA 71.A O no hydrogen 2.793 N/A TYR 75.A N LYS 72.A O no hydrogen 3.290 N/A LEU 76.A N LEU 73.A O no hydrogen 3.070 N/A THR 77.A OG1 GLN 114.A OE1 no hydrogen 3.118 N/A ARG 79.A NH1 MET 101.A O no hydrogen 3.134 N/A ARG 79.A NH2 MET 101.A O no hydrogen 3.335 N/A ALA 80.A N THR 77.A OG1 no hydrogen 3.248 N/A ARG 81.A N THR 77.A O no hydrogen 2.893 N/A ARG 81.A NE LEU 73.A O no hydrogen 2.886 N/A ARG 81.A NH1 VAL 20.A O no hydrogen 3.017 N/A ARG 81.A NH2 LEU 76.A O no hydrogen 2.759 N/A GLN 82.A N PRO 78.A O no hydrogen 2.997 N/A GLN 82.A NE2 ASP 64.A OD1 no hydrogen 3.239 N/A GLN 82.A NE2 PRO 78.A O no hydrogen 3.332 N/A ALA 83.A N ARG 79.A O no hydrogen 3.002 N/A PHE 84.A N ALA 80.A O no hydrogen 2.931 N/A LEU 85.A N ARG 81.A O no hydrogen 2.949 N/A LEU 86.A N GLN 82.A O no hydrogen 2.863 N/A ILE 87.A N ALA 83.A O no hydrogen 3.353 N/A ALA 88.A N PHE 84.A O no hydrogen 2.755 N/A VAL 89.A N LEU 85.A O no hydrogen 2.888 N/A GLU 90.A N LEU 85.A O no hydrogen 3.001 N/A PHE 92.A N LEU 86.A O no hydrogen 3.133 N/A ASN 93.A N GLU 96.A OE1 no hydrogen 2.918 N/A GLU 96.A N ASN 93.A OD1 no hydrogen 2.678 N/A ALA 97.A N ASN 93.A O no hydrogen 2.888 N/A SER 98.A N GLU 94.A O no hydrogen 2.947 N/A SER 98.A OG GLU 94.A O no hydrogen 3.301 N/A SER 98.A OG GLN 95.A O no hydrogen 3.054 N/A GLU 99.A N GLN 95.A O no hydrogen 3.091 N/A ILE 100.A N GLU 96.A O no hydrogen 2.926 N/A MET 101.A N ALA 97.A O no hydrogen 3.001 N/A ASN 102.A N GLU 99.A O no hydrogen 3.106 N/A ASN 102.A ND2 ASN 102.A O no hydrogen 3.296 N/A LEU 103.A N SER 98.A O no hydrogen 3.025 N/A ASP 107.A N ASP 104.A OD1 no hydrogen 2.987 N/A PHE 108.A N ASP 104.A O no hydrogen 2.975 N/A ARG 109.A N ALA 105.A O no hydrogen 3.060 N/A ARG 109.A NE GLU 94.A OE2 no hydrogen 2.788 N/A ARG 109.A NH2 GLU 94.A OE1 no hydrogen 2.713 N/A ARG 109.A NH2 GLU 94.A OE2 no hydrogen 3.367 N/A LYS 110.A N ARG 106.A O no hydrogen 2.935 N/A LEU 111.A N ASP 107.A O no hydrogen 3.067 N/A LEU 112.A N PHE 108.A O no hydrogen 3.014 N/A ASN 113.A N ARG 109.A O no hydrogen 2.831 N/A GLN 114.A N LYS 110.A O no hydrogen 2.858 N/A ALA 115.A N LEU 111.A O no hydrogen 2.940 N/A SER 116.A N LEU 112.A O no hydrogen 2.950 N/A ILE 117.A N ASN 113.A O no hydrogen 2.985 N/A ASP 118.A N GLN 114.A O no hydrogen 2.853 N/A ILE 119.A N ALA 115.A O no hydrogen 2.902 N/A SER 120.A N SER 116.A O no hydrogen 3.092 N/A SER 120.A OG SER 116.A O no hydrogen 3.403 N/A GLN 121.A N ILE 117.A O no hydrogen 2.874 N/A GLN 122.A N ASP 118.A O no hydrogen 3.034 N/A GLN 122.A NE2 LYS 72.A O no hydrogen 2.874 N/A ILE 123.A N ILE 119.A O no hydrogen 3.200 N/A ILE 123.A N SER 120.A O no hydrogen 3.287 N/A ALA 124.A N SER 120.A O no hydrogen 2.921 N/A THR 125.A N HIS 149.A ND1 no hydrogen 3.152 N/A THR 125.A OG1 GLN 126.A OE1 no hydrogen 3.486 N/A VAL 127.A N GLN 150.A O no hydrogen 2.782 N/A MET 128.A N LEU 172.A O no hydrogen 2.993 N/A ILE 129.A N GLY 153.A O no hydrogen 3.122 N/A ILE 130.A N LEU 174.A O no hydrogen 2.808 N/A GLU 131.A N ALA 155.A O no hydrogen 2.767 N/A GLU 133.A N GLU 131.A OE2 no hydrogen 3.013 N/A ALA 137.A N GLU 133.A O no hydrogen 2.972 N/A MET 138.A N PRO 134.A O no hydrogen 2.972 N/A ASP 139.A N LEU 135.A O no hydrogen 3.089 N/A ILE 140.A N ILE 136.A O no hydrogen 3.004 N/A GLU 141.A N ALA 137.A O no hydrogen 2.750 N/A GLN 142.A N MET 138.A O no hydrogen 2.885 N/A MET 143.A N ASP 139.A O no hydrogen 3.145 N/A VAL 144.A N ILE 140.A O no hydrogen 2.871 N/A GLU 145.A N GLU 141.A O no hydrogen 2.910 N/A SER 146.A N GLN 142.A O no hydrogen 3.010 N/A SER 146.A N MET 143.A O no hydrogen 3.263 N/A SER 146.A OG MET 143.A O no hydrogen 2.658 N/A LEU 147.A N VAL 144.A O no hydrogen 3.104 N/A GLY 148.A N GLU 145.A O no hydrogen 2.911 N/A HIS 149.A N VAL 144.A O no hydrogen 3.365 N/A GLN 150.A N THR 125.A O no hydrogen 2.939 N/A VAL 151.A N GLU 145.A OE2 no hydrogen 2.822 N/A VAL 152.A N VAL 127.A O no hydrogen 2.791 N/A ALA 155.A N ILE 129.A O no hydrogen 2.752 N/A ARG 156.A N GLU 160.A OE1 no hydrogen 2.968 N/A ARG 158.A NE ASP 191.A OD2 no hydrogen 2.683 N/A ARG 158.A NH2 ASP 191.A OD1 no hydrogen 2.904 N/A ARG 158.A NH2 ASP 191.A OD2 no hydrogen 3.228 N/A GLU 160.A N THR 157.A OG1 no hydrogen 3.011 N/A ALA 161.A N THR 157.A O no hydrogen 3.007 N/A VAL 162.A N ARG 158.A O no hydrogen 3.158 N/A VAL 163.A N LYS 159.A O no hydrogen 3.062 N/A MET 164.A N GLU 160.A O no hydrogen 2.831 N/A TYR 165.A N ALA 161.A O no hydrogen 2.774 N/A HIS 166.A N VAL 162.A O no hydrogen 3.224 N/A GLN 167.A N VAL 163.A O no hydrogen 2.969 N/A LYS 168.A N MET 164.A O no hydrogen 2.817 N/A LYS 169.A N TYR 165.A O no hydrogen 2.731 N/A ARG 171.A N GLN 126.A O no hydrogen 2.814 N/A ILE 173.A N PRO 199.A O no hydrogen 3.118 N/A LEU 174.A N MET 128.A O no hydrogen 3.004 N/A ALA 175.A N ILE 201.A O no hydrogen 2.899 N/A ASP 176.A N ILE 130.A O no hydrogen 2.794 N/A GLN 178.A N ASP 176.A OD1 no hydrogen 3.187 N/A LEU 179.A N ASN 182.A O no hydrogen 2.975 N/A ALA 180.A N ASP 132.A OD2 no hydrogen 3.108 N/A ASN 182.A N LEU 179.A O no hydrogen 3.096 N/A SER 184.A N ASN 182.A OD1 no hydrogen 2.999 N/A GLY 185.A N ILE 177.A O no hydrogen 2.926 N/A ALA 188.A N SER 184.A O no hydrogen 3.004 N/A VAL 189.A N GLY 185.A O no hydrogen 3.214 N/A ASN 190.A N ILE 186.A O no hydrogen 2.857 N/A ASP 191.A N ASP 187.A O no hydrogen 2.875 N/A ILE 192.A N ALA 188.A O no hydrogen 3.105 N/A LEU 193.A N VAL 189.A O no hydrogen 2.929 N/A ASP 196.A N ILE 192.A O no hydrogen 3.217 N/A ILE 201.A N ILE 173.A O no hydrogen 2.775 N/A ILE 203.A N ALA 175.A O no hydrogen 2.893 N/A THR 204.A N LEU 221.A O no hydrogen 2.965 N/A THR 204.A OG1 ASP 176.A OD2 no hydrogen 2.507 N/A PHE 206.A N THR 219.A O no hydrogen 2.939 N/A LEU 210.A N PRO 207.A O no hydrogen 2.991 N/A LEU 211.A N GLU 208.A O no hydrogen 2.745 N/A THR 212.A N GLU 217.A OE2 no hydrogen 2.885 N/A THR 212.A OG1 GLY 213.A O no hydrogen 2.963 N/A THR 212.A OG1 GLU 217.A OE2 no hydrogen 3.128 N/A LEU 221.A N THR 204.A O no hydrogen 2.762 N/A THR 223.A N PHE 202.A O no hydrogen 2.989 N/A MET 230.A N ASN 227.A OD1 no hydrogen 2.916 N/A VAL 231.A N ASN 227.A O no hydrogen 3.041 N/A LYS 232.A N PRO 228.A O no hydrogen 2.972 N/A ALA 233.A N ASP 229.A O no hydrogen 2.988 N/A LEU 234.A N MET 230.A O no hydrogen 2.898 N/A ILE 235.A N VAL 231.A O no hydrogen 2.885 N/A SER 236.A N LYS 232.A O no hydrogen 3.150 N/A SER 236.A OG LYS 232.A O no hydrogen 2.885 N/A GLN 237.A N ALA 233.A O no hydrogen 2.901 N/A ALA 238.A N LEU 234.A O no hydrogen 2.817 N/A LEU 239.A N ILE 235.A O no hydrogen 3.063 N/A PHE 240.A N SER 236.A O no hydrogen 2.862 N/A PHE 241.A N GLN 237.A O no hydrogen 2.999 N/A LYS 242.A N LEU 239.A O no hydrogen 3.252 N/A