Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jqa_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 86.A OD1 no hydrogen 2.946 N/A ALA 5.A N ARG 28.A O no hydrogen 2.877 N/A VAL 6.A N VAL 87.A O no hydrogen 2.863 N/A VAL 7.A N VAL 30.A O no hydrogen 3.085 N/A THR 8.A N VAL 89.A O no hydrogen 3.127 N/A THR 8.A OG1 VAL 89.A O no hydrogen 3.538 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.972 N/A ALA 10.A N HIS 32.A O no hydrogen 2.886 N/A ARG 13.A NH1 LEU 188.A O no hydrogen 3.057 N/A ARG 13.A NH2 LEU 187.A O no hydrogen 2.998 N/A ARG 16.A N LYS 12.A O no hydrogen 3.168 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 3.182 N/A ALA 17.A N ARG 13.A O no hydrogen 3.236 N/A ILE 18.A N ILE 14.A O no hydrogen 2.926 N/A ALA 19.A N GLY 15.A O no hydrogen 2.928 N/A VAL 20.A N ARG 16.A O no hydrogen 2.958 N/A LYS 21.A N ALA 17.A O no hydrogen 3.069 N/A LEU 22.A N ILE 18.A O no hydrogen 2.988 N/A HIS 23.A N ALA 19.A O no hydrogen 3.026 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.740 N/A GLN 24.A N VAL 20.A O no hydrogen 2.901 N/A THR 25.A N LYS 21.A O no hydrogen 3.025 N/A THR 25.A N LEU 22.A O no hydrogen 3.044 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.710 N/A GLY 26.A N HIS 23.A O no hydrogen 2.968 N/A TYR 27.A N LEU 22.A O no hydrogen 3.117 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 3.278 N/A ARG 28.A NH2 GLU 1.A OE2 no hydrogen 3.119 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.884 N/A VAL 29.A N THR 54.A O no hydrogen 2.843 N/A VAL 30.A N ALA 5.A O no hydrogen 2.837 N/A ILE 31.A N VAL 56.A O no hydrogen 2.770 N/A HIS 32.A N VAL 7.A O no hydrogen 3.161 N/A HIS 32.A NE2 ALA 59.A O no hydrogen 2.820 N/A ALA 37.A N ASN 35.A O no hydrogen 2.915 N/A ALA 40.A N SER 36.A O no hydrogen 3.087 N/A VAL 41.A N ALA 37.A O no hydrogen 3.095 N/A SER 42.A N GLU 38.A O no hydrogen 3.059 N/A LEU 43.A N ALA 39.A O no hydrogen 2.971 N/A ALA 44.A N ALA 40.A O no hydrogen 2.979 N/A ASP 45.A N VAL 41.A O no hydrogen 3.092 N/A GLU 46.A N SER 42.A O no hydrogen 3.187 N/A LEU 47.A N LEU 43.A O no hydrogen 2.993 N/A ASN 48.A N ALA 44.A O no hydrogen 2.883 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 3.124 N/A LYS 49.A N ASP 45.A O no hydrogen 2.995 N/A GLU 50.A N GLU 46.A O no hydrogen 3.325 N/A GLU 50.A N LEU 47.A O no hydrogen 3.085 N/A ARG 51.A N LEU 47.A O no hydrogen 3.045 N/A ARG 51.A NH1 TYR 27.A O no hydrogen 3.036 N/A ARG 51.A NH2 GLY 26.A O no hydrogen 3.315 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.923 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.740 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.577 N/A VAL 56.A N VAL 29.A O no hydrogen 3.019 N/A GLN 58.A NE2 HIS 34.A O no hydrogen 2.816 N/A ALA 59.A N TYR 33.A O no hydrogen 2.990 N/A THR 62.A N ASP 60.A OD1 no hydrogen 3.046 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.744 N/A ASN 63.A N ALA 110.A O no hydrogen 3.005 N/A VAL 66.A N SER 64.A OG no hydrogen 3.185 N/A LEU 67.A N SER 64.A O no hydrogen 3.179 N/A SER 70.A N VAL 66.A O no hydrogen 3.067 N/A CYS 71.A N LEU 67.A O no hydrogen 2.942 N/A CYS 71.A SG LEU 67.A O no hydrogen 3.489 N/A CYS 71.A SG ALA 119.A O no hydrogen 3.893 N/A GLU 72.A N PRO 68.A O no hydrogen 2.968 N/A GLU 73.A N ALA 69.A O no hydrogen 2.975 N/A ILE 74.A N SER 70.A O no hydrogen 3.060 N/A ILE 75.A N CYS 71.A O no hydrogen 3.320 N/A ASN 76.A N GLU 72.A O no hydrogen 2.913 N/A SER 77.A N GLU 73.A O no hydrogen 2.917 N/A SER 77.A OG.A ILE 74.A O no hydrogen 2.602 N/A SER 77.A OG.B GLU 73.A O no hydrogen 2.905 N/A SER 77.A OG.B GLU 73.A OE1 no hydrogen 3.427 N/A CYS 78.A N ILE 75.A O no hydrogen 2.952 N/A CYS 78.A SG ARG 84.A O no hydrogen 3.341 N/A PHE 79.A N ILE 75.A O no hydrogen 3.325 N/A ARG 80.A N ASN 76.A O no hydrogen 2.867 N/A ARG 80.A NH1 GLU 73.A OE1 no hydrogen 3.280 N/A ARG 80.A NH2 GLU 73.A OE1 no hydrogen 2.833 N/A ALA 81.A N SER 77.A O no hydrogen 3.071 N/A PHE 82.A N CYS 78.A O no hydrogen 2.888 N/A GLY 83.A N PHE 79.A O no hydrogen 2.757 N/A ARG 84.A NE ASP 86.A OD1 no hydrogen 2.814 N/A ARG 84.A NE ASP 86.A OD2 no hydrogen 3.499 N/A ARG 84.A NH1 GLU 1.A OE1 no hydrogen 3.338 N/A ARG 84.A NH2 ASP 86.A OD2 no hydrogen 2.989 N/A CYS 85.A SG VAL 87.A O no hydrogen 3.953 N/A ASP 86.A N ALA 4.A O no hydrogen 2.818 N/A VAL 87.A N ALA 4.A O no hydrogen 3.124 N/A LEU 88.A N SER 135.A O no hydrogen 3.140 N/A VAL 89.A N VAL 6.A O no hydrogen 2.734 N/A ASN 90.A N VAL 137.A O no hydrogen 2.939 N/A ASN 90.A ND2 ASN 138.A OD1 no hydrogen 2.780 N/A ASN 91.A N THR 8.A OG1 no hydrogen 2.885 N/A ASN 91.A ND2 THR 8.A O no hydrogen 2.962 N/A ALA 92.A N THR 8.A OG1 no hydrogen 2.958 N/A SER 93.A OG ALA 94.A O no hydrogen 3.331 N/A SER 93.A OG ASN 116.A OD1 no hydrogen 2.703 N/A ALA 94.A N THR 115.A OG1 no hydrogen 3.058 N/A TYR 96.A OH GLU 111.A OE1 no hydrogen 2.431 N/A THR 98.A N ALA 149.A O no hydrogen 2.709 N/A THR 98.A OG1 THR 98.A O no hydrogen 2.587 N/A LYS 103.A NZ GLU 111.A OE1 no hydrogen 2.766 N/A THR 104.A OG1 THR 107.A OG1 no hydrogen 3.256 N/A GLU 106.A N GLU 106.A OE1 no hydrogen 2.908 N/A THR 107.A N THR 104.A OG1 no hydrogen 3.182 N/A THR 107.A OG1 THR 104.A OG1 no hydrogen 3.256 N/A GLN 108.A N THR 104.A O no hydrogen 3.061 N/A VAL 109.A N VAL 105.A O no hydrogen 2.932 N/A ALA 110.A N GLU 106.A O no hydrogen 3.001 N/A GLU 111.A N THR 107.A O no hydrogen 2.893 N/A LEU 112.A N GLN 108.A O no hydrogen 2.917 N/A ILE 113.A N VAL 109.A O no hydrogen 2.889 N/A GLY 114.A N ALA 110.A O no hydrogen 2.910 N/A THR 115.A N GLU 111.A O no hydrogen 3.022 N/A THR 115.A OG1 GLU 111.A O no hydrogen 2.656 N/A ASN 116.A N LEU 112.A O no hydrogen 3.411 N/A ASN 116.A ND2 ALA 94.A O no hydrogen 3.022 N/A ASN 116.A ND2 LEU 112.A O no hydrogen 3.034 N/A ALA 117.A N ILE 113.A O no hydrogen 3.068 N/A ILE 118.A N ILE 113.A O no hydrogen 3.020 N/A ALA 119.A N GLY 114.A O no hydrogen 2.755 N/A PHE 121.A N ALA 117.A O no hydrogen 3.115 N/A LEU 122.A N ILE 118.A O no hydrogen 2.951 N/A LEU 123.A N ALA 119.A O no hydrogen 2.820 N/A THR 124.A N PRO 120.A O no hydrogen 2.981 N/A THR 124.A OG1 PRO 120.A O no hydrogen 2.720 N/A MET 125.A N PHE 121.A O no hydrogen 2.970 N/A SER 126.A N LEU 122.A O no hydrogen 3.037 N/A SER 126.A OG LEU 122.A O no hydrogen 3.312 N/A PHE 127.A N LEU 123.A O no hydrogen 2.910 N/A ALA 128.A N THR 124.A O no hydrogen 3.006 N/A GLN 129.A N MET 125.A O no hydrogen 2.895 N/A ARG 130.A N SER 126.A O no hydrogen 3.009 N/A ARG 130.A NH1 ASN 76.A OD1 no hydrogen 2.626 N/A GLN 131.A N ALA 128.A O no hydrogen 3.168 N/A GLN 131.A NE2 CYS 85.A O no hydrogen 2.800 N/A GLN 131.A NE2 PHE 127.A O no hydrogen 3.283 N/A SER 135.A N ASP 86.A O no hydrogen 3.097 N/A ILE 136.A N ARG 177.A O no hydrogen 2.824 N/A VAL 137.A N LEU 88.A O no hydrogen 2.916 N/A ASN 138.A N ASN 179.A O no hydrogen 2.846 N/A ASN 138.A ND2 THR 164.A OG1 no hydrogen 2.984 N/A LEU 139.A N ASN 90.A O no hydrogen 3.003 N/A CYS 140.A N VAL 181.A O no hydrogen 2.849 N/A CYS 140.A SG ASN 138.A O no hydrogen 3.604 N/A ALA 142.A N PRO 183.A O no hydrogen 2.887 N/A MET 143.A N ASP 141.A OD1 no hydrogen 2.893 N/A VAL 144.A N ASP 141.A O no hydrogen 3.233 N/A GLN 146.A N MET 143.A O no hydrogen 2.940 N/A SER 151.A OG.A THR 98.A O no hydrogen 3.484 N/A LEU 152.A N THR 98.A OG1 no hydrogen 3.396 N/A TYR 153.A OH ASP 141.A OD2 no hydrogen 2.780 N/A ASN 154.A N PHE 150.A O no hydrogen 2.983 N/A MET 155.A N SER 151.A O no hydrogen 2.877 N/A GLY 156.A N LEU 152.A O no hydrogen 2.959 N/A LYS 157.A N TYR 153.A O no hydrogen 2.961 N/A LYS 157.A NZ ASN 116.A OD1 no hydrogen 3.191 N/A LYS 157.A NZ LEU 139.A O no hydrogen 2.732 N/A HIS 158.A N ASN 154.A O no hydrogen 2.881 N/A HIS 158.A NE2 VAL 144.A O no hydrogen 3.012 N/A ALA 159.A N MET 155.A O no hydrogen 2.926 N/A LEU 160.A N GLY 156.A O no hydrogen 3.040 N/A VAL 161.A N LYS 157.A O no hydrogen 3.178 N/A GLY 162.A N HIS 158.A O no hydrogen 3.218 N/A LEU 163.A N ALA 159.A O no hydrogen 2.845 N/A THR 164.A N LEU 160.A O no hydrogen 2.912 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.775 N/A GLN 165.A N VAL 161.A O no hydrogen 3.077 N/A SER 166.A N GLY 162.A O no hydrogen 2.856 N/A SER 166.A OG GLY 162.A O no hydrogen 3.202 N/A ALA 167.A N LEU 163.A O no hydrogen 2.776 N/A ALA 168.A N THR 164.A O no hydrogen 3.042 N/A LEU 169.A N GLN 165.A O no hydrogen 3.126 N/A GLU 170.A N SER 166.A O no hydrogen 2.988 N/A LEU 171.A N ALA 167.A O no hydrogen 2.857 N/A ALA 172.A N ALA 168.A O no hydrogen 3.229 N/A TYR 174.A N LEU 171.A O no hydrogen 2.950 N/A GLY 175.A N ALA 172.A O no hydrogen 2.897 N/A ILE 176.A N LEU 171.A O no hydrogen 3.245 N/A ARG 177.A N LEU 134.A O no hydrogen 3.093 N/A ARG 177.A NH1 LEU 223.A O no hydrogen 2.881 N/A ARG 177.A NH1 ILE 231.A O no hydrogen 3.168 N/A ARG 177.A NH2 ASN 133.A OD1 no hydrogen 3.087 N/A ARG 177.A NH2 LEU 223.A O no hydrogen 2.869 N/A VAL 178.A N THR 232.A OG1 no hydrogen 3.011 N/A ASN 179.A N ILE 136.A O no hydrogen 2.992 N/A ASN 179.A ND2 ILE 231.A O no hydrogen 3.062 N/A GLY 180.A N SER 234.A O no hydrogen 2.823 N/A VAL 181.A N ASN 138.A O no hydrogen 3.012 N/A ALA 182.A N ILE 236.A O no hydrogen 2.947 N/A SER 186.A OG ALA 211.A O no hydrogen 2.903 N/A MET 192.A N PRO 189.A O no hydrogen 3.147 N/A LYS 197.A N GLY 193.A O no hydrogen 3.208 N/A ASP 198.A N GLU 194.A O no hydrogen 3.065 N/A LYS 199.A N GLU 195.A O no hydrogen 3.043 N/A TRP 200.A N GLU 196.A O no hydrogen 3.074 N/A ARG 201.A N LYS 197.A O no hydrogen 3.000 N/A ARG 201.A NE ASP 198.A OD1 no hydrogen 3.286 N/A ARG 201.A NH1 GLU 210.A OE1 no hydrogen 2.899 N/A ARG 201.A NH1 GLU 210.A OE2 no hydrogen 3.540 N/A ARG 201.A NH2 ASP 198.A OD1 no hydrogen 3.335 N/A ARG 202.A N ASP 198.A O no hydrogen 3.091 N/A LYS 203.A N TRP 200.A O no hydrogen 3.056 N/A VAL 204.A N ARG 201.A O no hydrogen 3.171 N/A LEU 206.A N GLY 240.A O no hydrogen 3.012 N/A GLY 207.A N PRO 205.A O no hydrogen 3.154 N/A ARG 208.A N VAL 204.A O no hydrogen 3.070 N/A ARG 208.A NE ARG 202.A O no hydrogen 3.245 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 2.763 N/A ALA 211.A N VAL 185.A O no hydrogen 2.893 N/A SER 212.A N GLN 215.A OE1 no hydrogen 3.005 N/A GLN 215.A N SER 212.A OG no hydrogen 2.975 N/A ILE 216.A N SER 212.A O no hydrogen 3.390 N/A ALA 217.A N ALA 213.A O no hydrogen 2.976 N/A ASP 218.A N GLU 214.A O no hydrogen 2.912 N/A ALA 219.A N ILE 216.A O no hydrogen 3.144 N/A VAL 220.A N ILE 216.A O no hydrogen 3.437 N/A ILE 221.A N ALA 217.A O no hydrogen 2.912 N/A PHE 222.A N ASP 218.A O no hydrogen 3.140 N/A LEU 223.A N ALA 219.A O no hydrogen 3.077 N/A VAL 224.A N VAL 220.A O no hydrogen 3.088 N/A SER 225.A N PHE 222.A O no hydrogen 3.110 N/A SER 225.A OG PHE 222.A O no hydrogen 2.716 N/A SER 227.A N SER 225.A OG no hydrogen 3.026 N/A ALA 228.A N SER 225.A O no hydrogen 3.176 N/A ILE 231.A N ALA 228.A O no hydrogen 2.940 N/A GLY 233.A N VAL 178.A O no hydrogen 2.664 N/A SER 234.A N ASN 179.A OD1 no hydrogen 2.908 N/A ILE 236.A N GLY 180.A O no hydrogen 2.964 N/A LYS 237.A NZ SER 243.A OG no hydrogen 3.260 N/A VAL 238.A N ALA 182.A O no hydrogen 2.890 N/A GLY 241.A N ASP 239.A OD1 no hydrogen 2.946 N/A LEU 242.A N ASP 239.A O no hydrogen 3.072 N/A SER 243.A N ASP 239.A OD2 no hydrogen 3.039 N/A SER 243.A OG ASP 239.A OD2 no hydrogen 2.783 N/A LEU 244.A N GLY 241.A O no hydrogen 2.954 N/A VAL 245.A N LEU 242.A O no hydrogen 3.130 N/A HIS 246.A ND1 ALA 247.A OXT no hydrogen 2.711 N/A