Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jqd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD1 no hydrogen 2.865 N/A ALA 5.A N ARG 28.A O no hydrogen 2.853 N/A VAL 6.A N VAL 88.A O no hydrogen 2.880 N/A VAL 7.A N VAL 30.A O no hydrogen 3.130 N/A THR 8.A N VAL 90.A O no hydrogen 3.083 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.378 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.945 N/A ALA 10.A N HIS 32.A O no hydrogen 2.888 N/A LYS 12.A NZ.B SER 36.A OG no hydrogen 3.201 N/A ARG 13.A NH1 LEU 189.A O no hydrogen 3.101 N/A ARG 13.A NH2 LEU 188.A O no hydrogen 2.936 N/A ARG 16.A N LYS 12.A O no hydrogen 3.206 N/A ARG 16.A NH2 GLU 46.A OE2 no hydrogen 3.540 N/A ALA 17.A N ARG 13.A O no hydrogen 3.203 N/A ILE 18.A N ILE 14.A O no hydrogen 2.949 N/A ALA 19.A N GLY 15.A O no hydrogen 2.911 N/A VAL 20.A N ARG 16.A O no hydrogen 2.851 N/A LYS 21.A N ALA 17.A O no hydrogen 2.989 N/A LEU 22.A N ILE 18.A O no hydrogen 2.912 N/A HIS 23.A N ALA 19.A O no hydrogen 2.961 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.722 N/A GLN 24.A N VAL 20.A O no hydrogen 2.826 N/A THR 25.A N LYS 21.A O no hydrogen 3.073 N/A THR 25.A N LEU 22.A O no hydrogen 3.111 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.805 N/A GLY 26.A N LEU 22.A O no hydrogen 3.227 N/A GLY 26.A N HIS 23.A O no hydrogen 3.005 N/A TYR 27.A N LEU 22.A O no hydrogen 3.101 N/A ARG 28.A N PRO 3.A O no hydrogen 2.886 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.397 N/A ARG 28.A NH2 GLU 1.A OE1 no hydrogen 3.193 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.896 N/A VAL 29.A N THR 54.A O no hydrogen 2.823 N/A VAL 30.A N ALA 5.A O no hydrogen 2.794 N/A ILE 31.A N VAL 56.A O no hydrogen 2.784 N/A HIS 32.A N VAL 7.A O no hydrogen 3.151 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.857 N/A TYR 33.A N CYS 58.A O no hydrogen 3.099 N/A ALA 37.A N ASN 35.A O no hydrogen 3.030 N/A ALA 40.A N SER 36.A O no hydrogen 3.083 N/A VAL 41.A N ALA 37.A O no hydrogen 3.000 N/A SER 42.A N GLU 38.A O no hydrogen 2.979 N/A LEU 43.A N ALA 39.A O no hydrogen 2.987 N/A ALA 44.A N ALA 40.A O no hydrogen 2.993 N/A ASP 45.A N VAL 41.A O no hydrogen 3.008 N/A GLU 46.A N SER 42.A O no hydrogen 3.069 N/A LEU 47.A N LEU 43.A O no hydrogen 3.017 N/A ASN 48.A N ALA 44.A O no hydrogen 2.904 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.923 N/A LYS 49.A N ASP 45.A O no hydrogen 3.008 N/A GLU 50.A N GLU 46.A O no hydrogen 3.407 N/A ARG 51.A N LEU 47.A O no hydrogen 3.008 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 3.062 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.221 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.834 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.722 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.670 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.936 N/A VAL 56.A N VAL 29.A O no hydrogen 3.121 N/A CYS 58.A N ILE 31.A O no hydrogen 3.047 N/A CYS 58.A SG SER 78.A OG no hydrogen 3.616 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 2.990 N/A ALA 60.A N TYR 33.A O no hydrogen 3.049 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.004 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.661 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.558 N/A ASN 64.A N ALA 111.A O no hydrogen 2.921 N/A VAL 67.A N SER 65.A OG no hydrogen 3.069 N/A LEU 68.A N SER 65.A O no hydrogen 3.231 N/A SER 71.A N VAL 67.A O no hydrogen 2.994 N/A CYS 72.A N LEU 68.A O no hydrogen 2.889 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.442 N/A CYS 72.A SG ALA 120.A O no hydrogen 3.932 N/A GLU 73.A N PRO 69.A O no hydrogen 3.005 N/A GLU 74.A N ALA 70.A O no hydrogen 3.035 N/A ILE 75.A N SER 71.A O no hydrogen 3.065 N/A ILE 76.A N CYS 72.A O no hydrogen 3.287 N/A ASN 77.A N GLU 73.A O no hydrogen 2.861 N/A ASN 77.A ND2 GLU 74.A OE1 no hydrogen 3.406 N/A SER 78.A N GLU 74.A O no hydrogen 2.885 N/A SER 78.A OG GLU 74.A O no hydrogen 2.883 N/A SER 78.A OG GLU 74.A OE2 no hydrogen 3.257 N/A CYS 79.A N ILE 75.A O no hydrogen 3.438 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.330 N/A PHE 80.A N ILE 76.A O no hydrogen 3.313 N/A ARG 81.A N ASN 77.A O no hydrogen 2.852 N/A ARG 81.A NH1.A GLU 74.A OE2 no hydrogen 3.399 N/A ARG 81.A NH1.A SER 78.A OG no hydrogen 3.062 N/A ARG 81.A NH1.B GLU 74.A OE1 no hydrogen 3.560 N/A ARG 81.A NH1.B GLU 74.A OE2 no hydrogen 3.188 N/A ARG 81.A NH2.A GLU 74.A OE2 no hydrogen 2.905 N/A ARG 81.A NH2.B GLU 74.A OE2 no hydrogen 3.348 N/A ARG 81.A NH2.B SER 78.A OG no hydrogen 3.199 N/A ALA 82.A N SER 78.A O no hydrogen 3.027 N/A PHE 83.A N CYS 79.A O no hydrogen 2.947 N/A GLY 84.A N PHE 80.A O no hydrogen 2.852 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 2.987 N/A ARG 85.A NH1 GLU 1.A OE2 no hydrogen 3.188 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 3.030 N/A ASP 87.A N ALA 4.A O no hydrogen 2.816 N/A VAL 88.A N ALA 4.A O no hydrogen 3.211 N/A LEU 89.A N SER 136.A O no hydrogen 3.210 N/A VAL 90.A N VAL 6.A O no hydrogen 2.796 N/A ASN 91.A N VAL 138.A O no hydrogen 2.873 N/A ASN 91.A ND2 ASN 139.A OD1 no hydrogen 2.775 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.852 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.114 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.952 N/A SER 94.A OG ALA 95.A O no hydrogen 3.385 N/A SER 94.A OG ASN 117.A OD1 no hydrogen 2.644 N/A ALA 95.A N THR 116.A OG1 no hydrogen 2.946 N/A TYR 97.A OH GLU 112.A OE1 no hydrogen 2.567 N/A THR 99.A N ALA 150.A O no hydrogen 2.686 N/A THR 99.A OG1 THR 99.A O no hydrogen 2.726 N/A LYS 104.A NZ GLU 112.A OE1 no hydrogen 2.620 N/A THR 105.A OG1 GLU 107.A OE1 no hydrogen 3.133 N/A THR 105.A OG1 THR 108.A OG1 no hydrogen 3.051 N/A THR 108.A N THR 105.A OG1 no hydrogen 3.260 N/A THR 108.A OG1 THR 105.A OG1 no hydrogen 3.051 N/A GLN 109.A N THR 105.A O no hydrogen 3.068 N/A GLN 109.A NE2 LYS 104.A O no hydrogen 3.136 N/A VAL 110.A N VAL 106.A O no hydrogen 2.896 N/A ALA 111.A N GLU 107.A O no hydrogen 2.972 N/A GLU 112.A N THR 108.A O no hydrogen 2.803 N/A LEU 113.A N GLN 109.A O no hydrogen 2.947 N/A ILE 114.A N VAL 110.A O no hydrogen 2.916 N/A GLY 115.A N ALA 111.A O no hydrogen 2.976 N/A THR 116.A N GLU 112.A O no hydrogen 2.989 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.756 N/A ASN 117.A N LEU 113.A O no hydrogen 3.372 N/A ASN 117.A ND2 ALA 95.A O no hydrogen 3.040 N/A ASN 117.A ND2 LEU 113.A O no hydrogen 2.909 N/A ALA 118.A N ILE 114.A O no hydrogen 3.103 N/A ILE 119.A N ILE 114.A O no hydrogen 3.078 N/A ALA 120.A N GLY 115.A O no hydrogen 2.883 N/A PHE 122.A N ALA 118.A O no hydrogen 3.096 N/A LEU 123.A N ILE 119.A O no hydrogen 2.859 N/A LEU 124.A N ALA 120.A O no hydrogen 2.794 N/A THR 125.A N PRO 121.A O no hydrogen 2.906 N/A THR 125.A OG1 PRO 121.A O no hydrogen 2.754 N/A MET 126.A N PHE 122.A O no hydrogen 2.934 N/A SER 127.A N LEU 123.A O no hydrogen 2.976 N/A SER 127.A OG LEU 123.A O no hydrogen 3.414 N/A PHE 128.A N LEU 124.A O no hydrogen 2.868 N/A ALA 129.A N THR 125.A O no hydrogen 3.020 N/A GLN 130.A N MET 126.A O no hydrogen 2.942 N/A ARG 131.A N SER 127.A O no hydrogen 3.257 N/A ARG 131.A NH2 ASN 77.A OD1 no hydrogen 3.299 N/A GLN 132.A N ALA 129.A O no hydrogen 2.932 N/A GLN 132.A NE2 CYS 86.A O no hydrogen 2.913 N/A GLN 132.A NE2 PHE 128.A O no hydrogen 3.135 N/A ASN 134.A ND2 VAL 225.A O no hydrogen 2.730 N/A SER 136.A N ASP 87.A O no hydrogen 3.103 N/A ILE 137.A N ARG 178.A O no hydrogen 2.871 N/A VAL 138.A N LEU 89.A O no hydrogen 2.900 N/A ASN 139.A N ASN 180.A O no hydrogen 2.885 N/A ASN 139.A ND2 THR 165.A OG1 no hydrogen 2.893 N/A LEU 140.A N ASN 91.A O no hydrogen 2.926 N/A CYS 141.A N VAL 182.A O no hydrogen 2.832 N/A CYS 141.A SG ASN 139.A O no hydrogen 3.743 N/A ALA 143.A N PRO 184.A O no hydrogen 2.814 N/A MET 144.A N ASP 142.A OD1 no hydrogen 2.785 N/A VAL 145.A N ASP 142.A O no hydrogen 3.408 N/A GLN 147.A N MET 144.A O no hydrogen 2.945 N/A GLN 147.A NE2 SER 244.A O no hydrogen 2.975 N/A SER 152.A OG.A THR 99.A O no hydrogen 3.477 N/A LEU 153.A N THR 99.A OG1 no hydrogen 3.385 N/A TYR 154.A OH ASP 142.A OD2 no hydrogen 2.841 N/A ASN 155.A N PHE 151.A O no hydrogen 2.923 N/A ASN 155.A ND2 VAL 145.A O no hydrogen 2.959 N/A MET 156.A N SER 152.A O no hydrogen 2.791 N/A GLY 157.A N LEU 153.A O no hydrogen 2.962 N/A LYS 158.A N TYR 154.A O no hydrogen 3.025 N/A LYS 158.A NZ ASN 117.A OD1 no hydrogen 3.028 N/A LYS 158.A NZ LEU 140.A O no hydrogen 2.940 N/A HIS 159.A N ASN 155.A O no hydrogen 2.913 N/A HIS 159.A NE2 VAL 145.A O no hydrogen 2.971 N/A ALA 160.A N MET 156.A O no hydrogen 2.921 N/A LEU 161.A N GLY 157.A O no hydrogen 2.903 N/A VAL 162.A N LYS 158.A O no hydrogen 3.165 N/A GLY 163.A N HIS 159.A O no hydrogen 3.200 N/A LEU 164.A N ALA 160.A O no hydrogen 2.913 N/A THR 165.A N LEU 161.A O no hydrogen 2.999 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.774 N/A GLN 166.A N VAL 162.A O no hydrogen 3.082 N/A SER 167.A N GLY 163.A O no hydrogen 2.873 N/A SER 167.A OG GLY 163.A O no hydrogen 3.254 N/A ALA 168.A N LEU 164.A O no hydrogen 2.746 N/A ALA 169.A N THR 165.A O no hydrogen 3.044 N/A LEU 170.A N GLN 166.A O no hydrogen 3.075 N/A GLU 171.A N SER 167.A O no hydrogen 3.076 N/A LEU 172.A N ALA 168.A O no hydrogen 2.825 N/A ALA 173.A N ALA 169.A O no hydrogen 3.203 N/A TYR 175.A N LEU 172.A O no hydrogen 3.084 N/A GLY 176.A N ALA 173.A O no hydrogen 2.879 N/A ILE 177.A N LEU 172.A O no hydrogen 3.233 N/A ARG 178.A N LEU 135.A O no hydrogen 3.173 N/A ARG 178.A NH1 LEU 224.A O no hydrogen 2.946 N/A ARG 178.A NH1 ILE 232.A O no hydrogen 3.136 N/A ARG 178.A NH2 ASN 134.A OD1 no hydrogen 3.280 N/A ARG 178.A NH2 LEU 224.A O no hydrogen 3.011 N/A VAL 179.A N THR 233.A OG1 no hydrogen 3.014 N/A ASN 180.A N ILE 137.A O no hydrogen 2.938 N/A ASN 180.A ND2 ILE 232.A O no hydrogen 3.009 N/A GLY 181.A N SER 235.A O no hydrogen 2.832 N/A VAL 182.A N ASN 139.A O no hydrogen 3.038 N/A ALA 183.A N ILE 237.A O no hydrogen 2.908 N/A SER 187.A OG ALA 212.A O no hydrogen 2.911 N/A MET 193.A N PRO 190.A O no hydrogen 3.100 N/A LYS 198.A N GLY 194.A O no hydrogen 3.028 N/A ASP 199.A N GLU 195.A O no hydrogen 2.994 N/A LYS 200.A N GLU 196.A O no hydrogen 3.176 N/A TRP 201.A N GLU 197.A O no hydrogen 3.297 N/A ARG 202.A N LYS 198.A O no hydrogen 2.940 N/A ARG 202.A NE GLU 211.A OE2 no hydrogen 3.027 N/A ARG 202.A NH1 GLU 195.A OE2 no hydrogen 3.139 N/A ARG 202.A NH1 ASP 199.A OD1 no hydrogen 3.219 N/A ARG 202.A NH2 GLU 211.A OE1 no hydrogen 3.000 N/A ARG 203.A N ASP 199.A O no hydrogen 2.925 N/A LYS 204.A N TRP 201.A O no hydrogen 3.135 N/A VAL 205.A N ARG 202.A O no hydrogen 3.231 N/A LEU 207.A N GLY 241.A O no hydrogen 2.915 N/A GLY 208.A N PRO 206.A O no hydrogen 3.133 N/A ARG 209.A N VAL 205.A O no hydrogen 3.121 N/A ARG 209.A NH1 ARG 203.A O no hydrogen 2.925 N/A GLU 211.A N GLU 211.A OE2 no hydrogen 2.648 N/A ALA 212.A N VAL 186.A O no hydrogen 3.072 N/A SER 213.A N GLN 216.A OE1 no hydrogen 2.982 N/A GLN 216.A N SER 213.A OG no hydrogen 3.140 N/A ILE 217.A N SER 213.A O no hydrogen 3.361 N/A ALA 218.A N ALA 214.A O no hydrogen 2.926 N/A ASP 219.A N GLU 215.A O no hydrogen 2.819 N/A ALA 220.A N ILE 217.A O no hydrogen 3.050 N/A VAL 221.A N ILE 217.A O no hydrogen 3.340 N/A ILE 222.A N ALA 218.A O no hydrogen 2.911 N/A PHE 223.A N ASP 219.A O no hydrogen 3.129 N/A LEU 224.A N ALA 220.A O no hydrogen 3.144 N/A VAL 225.A N VAL 221.A O no hydrogen 3.118 N/A SER 226.A N PHE 223.A O no hydrogen 3.068 N/A SER 226.A OG PHE 223.A O no hydrogen 2.700 N/A SER 228.A N SER 226.A OG no hydrogen 3.158 N/A ALA 229.A N SER 226.A O no hydrogen 3.186 N/A ILE 232.A N ALA 229.A O no hydrogen 3.009 N/A GLY 234.A N VAL 179.A O no hydrogen 2.716 N/A SER 235.A N ASN 180.A OD1 no hydrogen 3.010 N/A SER 235.A OG.B ASN 180.A OD1 no hydrogen 2.864 N/A ILE 237.A N GLY 181.A O no hydrogen 2.987 N/A LYS 238.A NZ SER 244.A OG no hydrogen 3.207 N/A VAL 239.A N ALA 183.A O no hydrogen 2.902 N/A GLY 242.A N ASP 240.A OD1 no hydrogen 3.081 N/A LEU 243.A N ASP 240.A O no hydrogen 3.043 N/A SER 244.A N ASP 240.A OD2 no hydrogen 3.020 N/A SER 244.A OG ASP 240.A OD2 no hydrogen 2.770 N/A LEU 245.A N GLY 242.A O no hydrogen 2.946 N/A VAL 246.A N LEU 243.A O no hydrogen 3.108 N/A HIS 247.A ND1 ALA 248.A OXT no hydrogen 2.716 N/A