Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jwd_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N SER 26.A OG no hydrogen 3.128 N/A THR 5.A N ARG 24.A O no hydrogen 2.962 N/A GLN 6.A NE2 TYR 86.A O no hydrogen 3.351 N/A SER 7.A N THR 22.A O no hydrogen 3.013 N/A VAL 11.A N LYS 102.A O no hydrogen 2.829 N/A ALA 13.A N GLU 104.A O no hydrogen 3.228 N/A GLY 16.A N LEU 78.A O no hydrogen 2.960 N/A ASP 17.A N SER 14.A O no hydrogen 3.308 N/A ARG 18.A N ASP 17.A OD1 no hydrogen 2.965 N/A VAL 19.A N ILE 75.A O no hydrogen 3.079 N/A THR 20.A OG1 THR 74.A OG1 no hydrogen 3.032 N/A ILE 21.A N LEU 73.A O no hydrogen 2.914 N/A THR 22.A N SER 7.A O no hydrogen 3.074 N/A THR 22.A OG1 SER 7.A O no hydrogen 3.345 N/A CYS 23.A N PHE 71.A O no hydrogen 2.944 N/A ALA 25.A N THR 69.A O no hydrogen 2.976 N/A SER 26.A N GLN 3.A O no hydrogen 3.036 N/A ILE 29.A N GLY 68.A O no hydrogen 2.893 N/A SER 30.A N ASP 28.A OD1 no hydrogen 3.036 N/A TRP 32.A N ILE 29.A O no hydrogen 3.301 N/A LEU 33.A N THR 31.A O no hydrogen 3.135 N/A ALA 34.A N GLN 89.A O no hydrogen 3.061 N/A TRP 35.A N ILE 48.A O no hydrogen 2.967 N/A TYR 36.A N TYR 87.A O no hydrogen 2.778 N/A TYR 36.A OH GLN 89.A OE1 no hydrogen 2.714 N/A GLN 37.A N LYS 45.A O no hydrogen 3.023 N/A GLN 37.A NE2 GLU 81.A O no hydrogen 3.574 N/A GLN 37.A NE2 TYR 86.A OH no hydrogen 3.070 N/A GLN 38.A N THR 85.A O no hydrogen 2.856 N/A GLN 38.A NE2 LYS 42.A O no hydrogen 3.396 N/A LYS 39.A NZ GLU 81.A O no hydrogen 3.062 N/A LYS 42.A N LYS 39.A O no hydrogen 3.306 N/A LYS 45.A N GLN 37.A O no hydrogen 2.799 N/A LEU 47.A N TRP 35.A O no hydrogen 2.869 N/A ILE 48.A N TRP 35.A O no hydrogen 3.319 N/A TYR 49.A N THR 53.A O no hydrogen 2.933 N/A ALA 51.A N LEU 33.A O no hydrogen 2.996 N/A SER 52.A N ALA 50.A O no hydrogen 2.683 N/A SER 52.A OG ALA 50.A O no hydrogen 3.520 N/A THR 53.A N TYR 49.A O no hydrogen 2.982 N/A GLN 55.A N LEU 47.A O no hydrogen 2.969 N/A ARG 61.A NE ASP 82.A OD2 no hydrogen 2.850 N/A ARG 61.A NH2 ASP 82.A OD1 no hydrogen 2.981 N/A ARG 61.A NH2 ASP 82.A OD2 no hydrogen 2.812 N/A PHE 62.A N PRO 59.A O no hydrogen 3.149 N/A SER 63.A N THR 74.A O no hydrogen 3.221 N/A SER 65.A N SER 72.A O no hydrogen 2.987 N/A GLY 68.A N SER 30.A O no hydrogen 2.845 N/A PHE 71.A N CYS 23.A O no hydrogen 3.131 N/A SER 72.A N SER 65.A O no hydrogen 3.192 N/A LEU 73.A N ILE 21.A O no hydrogen 2.796 N/A THR 74.A N SER 63.A O no hydrogen 2.871 N/A THR 74.A OG1 THR 20.A OG1 no hydrogen 3.032 N/A ILE 75.A N VAL 19.A O no hydrogen 2.973 N/A ASN 76.A N ARG 61.A O no hydrogen 2.988 N/A LEU 78.A N ASP 17.A O no hydrogen 2.992 N/A GLN 79.A N ASP 82.A OD2 no hydrogen 3.075 N/A GLN 79.A NE2 SER 77.A O no hydrogen 3.668 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.872 N/A ASP 82.A N GLN 79.A O no hydrogen 2.969 N/A THR 85.A N GLN 38.A O no hydrogen 3.209 N/A TYR 86.A N THR 101.A O no hydrogen 2.776 N/A TYR 86.A OH ASP 82.A O no hydrogen 2.592 N/A TYR 87.A N TYR 36.A O no hydrogen 2.972 N/A CYS 88.A N GLN 6.A OE1 no hydrogen 3.111 N/A GLN 89.A NE2 PHE 95.A O no hydrogen 3.135 N/A GLN 90.A N THR 96.A O no hydrogen 3.067 N/A GLN 90.A NE2 ASN 92.A OD1 no hydrogen 3.008 N/A ALA 91.A N TRP 32.A O no hydrogen 3.087 N/A SER 93.A OG ASN 92.A OD1 no hydrogen 2.864 N/A THR 96.A OG1 GLN 90.A OE1 no hydrogen 3.528 N/A GLY 98.A N CYS 88.A O no hydrogen 3.025 N/A THR 101.A N TYR 86.A O no hydrogen 2.959 N/A THR 101.A OG1 PRO 8.A O no hydrogen 2.808 N/A LYS 102.A N SER 9.A O no hydrogen 2.950 N/A LYS 102.A NZ GLU 164.A OE2 no hydrogen 3.418 N/A VAL 103.A N ALA 84.A O no hydrogen 2.851 N/A GLU 104.A N VAL 11.A O no hydrogen 3.107 N/A ILE 105.A N GLN 165.A OE1 no hydrogen 2.878 N/A ARG 107.A NE THR 108.A O no hydrogen 2.935 N/A ARG 107.A NH1 ASP 169.A O no hydrogen 2.802 N/A ARG 107.A NH2 THR 108.A O no hydrogen 3.356 N/A ARG 107.A NH2 THR 108.A OG1 no hydrogen 3.333 N/A ALA 110.A N TYR 139.A O no hydrogen 3.108 N/A SER 113.A N ASN 136.A O no hydrogen 3.035 N/A PHE 115.A N LEU 134.A O no hydrogen 2.802 N/A PHE 117.A N VAL 132.A O no hydrogen 2.903 N/A LEU 124.A N ASP 121.A O no hydrogen 2.926 N/A LYS 125.A N GLU 122.A O no hydrogen 3.244 N/A SER 126.A OG GLN 123.A O no hydrogen 3.038 N/A ALA 129.A N SER 181.A O no hydrogen 2.990 N/A SER 130.A OG THR 179.A OG1 no hydrogen 3.267 N/A VAL 131.A N LEU 178.A O no hydrogen 2.938 N/A VAL 132.A N PHE 117.A O no hydrogen 3.098 N/A CYS 133.A N SER 176.A O no hydrogen 2.903 N/A CYS 133.A SG PHE 115.A O no hydrogen 3.573 N/A LEU 134.A N PHE 115.A O no hydrogen 3.188 N/A LEU 135.A N LEU 174.A O no hydrogen 2.836 N/A ASN 136.A N SER 113.A O no hydrogen 2.931 N/A ASN 137.A N SER 173.A OG no hydrogen 3.106 N/A PHE 138.A N TYR 172.A O no hydrogen 3.049 N/A TYR 139.A N ALA 110.A O no hydrogen 3.279 N/A TYR 139.A OH ILE 105.A O no hydrogen 3.213 N/A LYS 144.A N THR 196.A O no hydrogen 3.148 N/A GLN 146.A N GLU 194.A O no hydrogen 3.069 N/A TRP 147.A NE1 SER 176.A OG no hydrogen 2.766 N/A LYS 148.A N ALA 192.A O no hydrogen 3.070 N/A LYS 148.A NZ GLU 194.A OE2 no hydrogen 3.085 N/A VAL 149.A N ALA 152.A O no hydrogen 3.276 N/A ASP 150.A N LEU 190.A O no hydrogen 2.875 N/A ALA 152.A N VAL 149.A O no hydrogen 2.939 N/A GLN 154.A N TRP 147.A O no hydrogen 3.350 N/A GLN 159.A N THR 177.A O no hydrogen 2.871 N/A SER 161.A N SER 175.A O no hydrogen 3.130 N/A THR 163.A N SER 173.A O no hydrogen 2.933 N/A THR 163.A OG1 GLU 164.A O no hydrogen 3.454 N/A THR 163.A OG1 SER 173.A O no hydrogen 3.413 N/A GLN 165.A NE2 ILE 105.A O no hydrogen 3.102 N/A GLN 165.A NE2 SER 170.A O no hydrogen 3.274 N/A ASP 166.A N THR 171.A O no hydrogen 2.980 N/A LYS 168.A N ASP 166.A OD1 no hydrogen 3.299 N/A THR 171.A OG1 ASN 137.A OD1 no hydrogen 3.328 N/A TYR 172.A N PHE 138.A O no hydrogen 2.928 N/A SER 173.A N THR 163.A OG1 no hydrogen 3.110 N/A SER 173.A OG ASN 136.A OD1 no hydrogen 3.295 N/A SER 173.A OG TYR 172.A O no hydrogen 2.996 N/A LEU 174.A N LEU 135.A O no hydrogen 2.999 N/A SER 175.A N SER 161.A O no hydrogen 3.214 N/A SER 176.A N CYS 133.A O no hydrogen 2.955 N/A THR 177.A N GLN 159.A O no hydrogen 2.740 N/A LEU 178.A N VAL 131.A O no hydrogen 2.836 N/A THR 179.A N ASN 157.A O no hydrogen 3.029 N/A THR 179.A OG1 SER 130.A OG no hydrogen 3.267 N/A LEU 180.A N ALA 129.A O no hydrogen 3.062 N/A ASP 184.A N SER 181.A OG no hydrogen 3.134 N/A GLU 186.A N ALA 183.A O no hydrogen 3.245 N/A LYS 187.A N ALA 183.A O no hydrogen 3.131 N/A HIS 188.A ND1 ASP 184.A O no hydrogen 2.900 N/A TYR 191.A OH ASP 184.A O no hydrogen 3.338 N/A TYR 191.A OH TYR 185.A O no hydrogen 2.814 N/A CYS 193.A N LYS 206.A O no hydrogen 3.251 N/A CYS 193.A SG CYS 193.A O no hydrogen 2.989 N/A GLU 194.A N GLN 146.A O no hydrogen 2.983 N/A VAL 195.A N VAL 204.A O no hydrogen 2.966 N/A THR 196.A N LYS 144.A O no hydrogen 3.043 N/A HIS 197.A NE2 PRO 140.A O no hydrogen 3.265 N/A GLY 199.A N HIS 197.A ND1 no hydrogen 2.788 N/A LEU 200.A N HIS 197.A O no hydrogen 2.991 N/A VAL 204.A N VAL 195.A O no hydrogen 3.229 N/A PHE 208.A N TYR 191.A O no hydrogen 3.214 N/A