Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qr7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N PHE 2.A O no hydrogen 2.757 N/A TYR 6.A N PHE 2.A O no hydrogen 2.978 N/A TYR 6.A OH ASP 64.A OD1 no hydrogen 2.994 N/A GLU 7.A N ILE 24.A O no hydrogen 2.930 N/A LYS 9.A N ARG 22.A O no hydrogen 2.879 N/A LYS 9.A NZ GLU 7.A OE2 no hydrogen 2.276 N/A ILE 12.A N CYS 20.A O no hydrogen 2.627 N/A GLY 13.A N CYS 20.A O no hydrogen 3.185 N/A GLY 15.A N SER 18.A O no hydrogen 2.893 N/A VAL 19.A N ILE 35.A O no hydrogen 3.030 N/A CYS 20.A N GLY 13.A O no hydrogen 2.723 N/A CYS 20.A SG.A VAL 33.A O no hydrogen 3.836 N/A LYS 21.A N VAL 33.A O no hydrogen 2.838 N/A ARG 22.A N GLU 10.A O no hydrogen 3.001 N/A ARG 22.A NE GLU 10.A OE2 no hydrogen 2.858 N/A ARG 22.A NH1 GLU 30.A OE2 no hydrogen 3.446 N/A ARG 22.A NH2 GLU 10.A OE2 no hydrogen 3.289 N/A CYS 23.A N PHE 31.A O no hydrogen 2.918 N/A ILE 24.A N GLU 7.A O no hydrogen 2.875 N/A HIS 25.A ND1 THR 28.A OG1 no hydrogen 2.524 N/A LYS 26.A N GLY 5.A O no hydrogen 2.975 N/A LYS 26.A NZ THR 3.A O no hydrogen 2.886 N/A LYS 26.A NZ TYR 6.A O no hydrogen 3.439 N/A THR 28.A N HIS 25.A O no hydrogen 3.277 N/A THR 28.A OG1 HIS 25.A ND1 no hydrogen 2.524 N/A ASN 29.A N HIS 25.A O no hydrogen 2.830 N/A PHE 31.A N CYS 23.A O no hydrogen 2.850 N/A ALA 32.A N THR 76.A O no hydrogen 3.047 N/A VAL 33.A N LYS 21.A O no hydrogen 2.755 N/A LYS 34.A N VAL 74.A O no hydrogen 2.906 N/A LYS 34.A NZ GLU 46.A OE1 no hydrogen 3.242 N/A LYS 34.A NZ GLU 46.A OE2 no hydrogen 2.608 N/A LYS 34.A NZ ASP 143.A OD1 no hydrogen 3.448 N/A ILE 35.A N VAL 19.A O no hydrogen 2.764 N/A ILE 36.A N VAL 72.A O no hydrogen 2.868 N/A ASP 37.A N TYR 17.A O no hydrogen 3.265 N/A LYS 38.A N LYS 70.A O no hydrogen 3.092 N/A LYS 38.A NZ ASP 67.A OD2 no hydrogen 3.308 N/A LYS 38.A NZ GLY 69.A O no hydrogen 3.292 N/A SER 39.A N ASP 37.A OD1 no hydrogen 3.096 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.685 N/A LYS 40.A N ASP 37.A O no hydrogen 3.109 N/A ARG 41.A N ASP 37.A O no hydrogen 2.989 N/A ARG 41.A NH1 GLU 46.A OE1 no hydrogen 2.918 N/A ARG 41.A NH2 GLU 46.A OE1 no hydrogen 2.601 N/A THR 44.A N ASP 42.A OD2 no hydrogen 3.027 N/A THR 44.A OG1 ASP 42.A OD2 no hydrogen 2.516 N/A ILE 47.A N PRO 43.A O no hydrogen 3.135 N/A GLU 48.A N THR 44.A O no hydrogen 3.077 N/A ILE 49.A N GLU 45.A O no hydrogen 3.099 N/A LEU 50.A N GLU 46.A O no hydrogen 3.081 N/A LEU 51.A N ILE 47.A O no hydrogen 2.919 N/A ARG 52.A N GLU 48.A O no hydrogen 2.985 N/A TYR 53.A N ILE 49.A O no hydrogen 2.819 N/A GLY 54.A N LEU 50.A O no hydrogen 2.910 N/A HIS 56.A N TYR 53.A O no hydrogen 3.041 N/A ASN 58.A N HIS 56.A ND1 no hydrogen 2.990 N/A ASN 58.A ND2 PRO 136.A O no hydrogen 3.208 N/A ASN 58.A ND2 ILE 139.A O no hydrogen 2.892 N/A ILE 59.A N HIS 56.A O no hydrogen 3.207 N/A ILE 60.A N ILE 141.A O no hydrogen 3.065 N/A THR 61.A N GLU 77.A OE2 no hydrogen 3.000 N/A THR 61.A OG1 GLY 54.A O no hydrogen 3.363 N/A THR 61.A OG1 ILE 59.A O no hydrogen 3.541 N/A THR 61.A OG1 GLU 77.A OE2 no hydrogen 2.797 N/A LYS 63.A N VAL 75.A O no hydrogen 2.840 N/A VAL 65.A N ASP 64.A OD2 no hydrogen 3.203 N/A TYR 66.A N TYR 73.A O no hydrogen 2.895 N/A TYR 66.A OH ASP 64.A OD1 no hydrogen 2.452 N/A ASP 68.A N TYR 71.A O no hydrogen 3.142 N/A GLY 69.A N ASP 67.A OD1 no hydrogen 2.715 N/A TYR 71.A N ASP 68.A OD1 no hydrogen 2.825 N/A VAL 72.A N ILE 36.A O no hydrogen 3.071 N/A TYR 73.A N TYR 66.A O no hydrogen 2.776 N/A TYR 73.A OH ASP 68.A OD2 no hydrogen 2.939 N/A VAL 74.A N LYS 34.A O no hydrogen 2.930 N/A VAL 75.A N ASP 64.A O no hydrogen 2.898 N/A THR 76.A N ALA 32.A O no hydrogen 2.885 N/A THR 76.A OG1 GLU 77.A O no hydrogen 3.229 N/A GLU 77.A N THR 61.A O no hydrogen 3.149 N/A LYS 79.A NZ GLU 30.A OE1 no hydrogen 2.812 N/A GLY 80.A N TYR 129.A O no hydrogen 2.878 N/A LEU 83.A N ILE 127.A O no hydrogen 3.116 N/A ASP 85.A N GLU 82.A OE2 no hydrogen 2.913 N/A LYS 86.A N GLU 82.A O no hydrogen 3.000 N/A ILE 87.A N LEU 83.A O no hydrogen 2.871 N/A LEU 88.A N LEU 84.A O no hydrogen 2.858 N/A ARG 89.A N ASP 85.A O no hydrogen 3.178 N/A ARG 89.A N LYS 86.A O no hydrogen 3.211 N/A ARG 89.A NE ASP 85.A OD1 no hydrogen 2.969 N/A ARG 89.A NE ASP 85.A OD2 no hydrogen 3.521 N/A GLN 90.A N ILE 87.A O no hydrogen 3.187 N/A GLN 90.A NE2 LYS 86.A O no hydrogen 3.342 N/A PHE 93.A N GLN 90.A O no hydrogen 3.247 N/A SER 94.A N GLU 97.A OE2 no hydrogen 2.978 N/A SER 94.A OG GLU 97.A OE2 no hydrogen 3.119 N/A ARG 96.A N PRO 265.A O no hydrogen 3.065 N/A ARG 96.A NE LEU 264.A O no hydrogen 3.047 N/A ARG 96.A NH2 LEU 264.A O no hydrogen 2.998 N/A GLU 97.A N SER 94.A OG no hydrogen 3.345 N/A ALA 98.A N SER 94.A O no hydrogen 3.062 N/A SER 99.A N GLU 95.A O no hydrogen 3.015 N/A SER 99.A OG TRP 257.A O no hydrogen 2.829 N/A ALA 100.A N ARG 96.A O no hydrogen 3.250 N/A VAL 101.A N GLU 97.A O no hydrogen 3.065 N/A LEU 102.A N ALA 98.A O no hydrogen 2.971 N/A PHE 103.A N SER 99.A O no hydrogen 2.873 N/A THR 104.A N ALA 100.A O no hydrogen 3.145 N/A THR 104.A OG1 ALA 100.A O no hydrogen 3.123 N/A ILE 105.A N VAL 101.A O no hydrogen 3.122 N/A THR 106.A N LEU 102.A O no hydrogen 2.876 N/A THR 106.A OG1 LEU 102.A O no hydrogen 2.776 N/A LYS 107.A N PHE 103.A O no hydrogen 2.874 N/A LYS 107.A NZ GLU 110.A OE2 no hydrogen 3.367 N/A THR 108.A N THR 104.A O no hydrogen 3.358 N/A THR 108.A OG1 THR 104.A O no hydrogen 2.772 N/A VAL 109.A N ILE 105.A O no hydrogen 3.054 N/A GLU 110.A N THR 106.A O no hydrogen 2.844 N/A TYR 111.A N LYS 107.A O no hydrogen 3.116 N/A LEU 112.A N THR 108.A O no hydrogen 3.146 N/A HIS 113.A N VAL 109.A O no hydrogen 2.861 N/A HIS 113.A NE2 ASP 181.A OD2 no hydrogen 2.759 N/A ALA 114.A N GLU 110.A O no hydrogen 2.987 N/A GLN 115.A N TYR 111.A O no hydrogen 3.095 N/A GLN 115.A N LEU 112.A O no hydrogen 2.980 N/A GLY 116.A N HIS 113.A O no hydrogen 3.062 N/A VAL 117.A N LEU 112.A O no hydrogen 2.945 N/A VAL 118.A N LYS 148.A O no hydrogen 3.113 N/A HIS 119.A N ASP 181.A OD2 no hydrogen 2.946 N/A HIS 119.A NE2 CYS 142.A O no hydrogen 2.906 N/A ARG 120.A N ASP 181.A OD1 no hydrogen 2.960 N/A ASP 121.A N HIS 119.A ND1 no hydrogen 3.066 N/A LYS 123.A N ASP 121.A O no hydrogen 2.821 N/A ASN 126.A N LYS 123.A O no hydrogen 2.805 N/A ASN 126.A ND2 ASP 121.A O no hydrogen 2.904 N/A ASN 126.A ND2 ASP 121.A OD2 no hydrogen 2.926 N/A ILE 127.A N PRO 124.A O no hydrogen 2.986 N/A LEU 128.A N ARG 140.A O no hydrogen 2.978 N/A TYR 129.A N GLY 81.A O no hydrogen 2.864 N/A VAL 130.A N SER 138.A O no hydrogen 2.864 N/A SER 133.A N ASP 131.A OD2 no hydrogen 2.972 N/A SER 133.A OG ASP 131.A OD2 no hydrogen 2.734 N/A SER 138.A N ASN 135.A O no hydrogen 3.051 N/A SER 138.A OG ASN 135.A O no hydrogen 2.685 N/A ILE 139.A N PRO 136.A O no hydrogen 3.241 N/A ARG 140.A N LEU 128.A O no hydrogen 2.858 N/A ARG 140.A NE GLU 77.A OE2 no hydrogen 2.836 N/A ARG 140.A NH1 GLU 137.A O no hydrogen 2.816 N/A ARG 140.A NH1 ILE 139.A O no hydrogen 3.179 N/A ARG 140.A NH2 GLU 77.A OE1 no hydrogen 3.433 N/A ILE 141.A N ASN 58.A O no hydrogen 2.912 N/A CYS 142.A N ASN 126.A O no hydrogen 2.806 N/A CYS 142.A SG ARG 140.A O no hydrogen 3.699 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 3.126 N/A ALA 147.A N PHE 144.A O no hydrogen 3.185 N/A LYS 148.A N VAL 118.A O no hydrogen 3.082 N/A LEU 150.A N GLY 116.A O no hydrogen 2.694 N/A ARG 151.A NE GLY 155.A O no hydrogen 3.098 N/A ARG 151.A NH1 GLU 45.A OE1 no hydrogen 3.241 N/A ALA 152.A N LEU 156.A O no hydrogen 3.074 N/A GLU 153.A N PHE 165.A O no hydrogen 2.899 N/A GLY 155.A N ALA 152.A O no hydrogen 3.074 N/A CYS 160.A SG.B THR 158.A OG1 no hydrogen 2.816 N/A THR 162.A OG1 CYS 160.A O no hydrogen 3.056 N/A VAL 170.A N ALA 167.A O no hydrogen 2.898 N/A LEU 171.A N ALA 167.A O no hydrogen 3.327 N/A GLU 172.A N PRO 168.A O no hydrogen 2.780 N/A ARG 173.A N GLU 169.A O no hydrogen 2.973 N/A GLN 174.A N VAL 170.A O no hydrogen 2.739 N/A GLN 174.A NE2 GLY 116.A O no hydrogen 3.691 N/A GLY 175.A N LEU 171.A O no hydrogen 2.946 N/A TYR 176.A N GLU 172.A O no hydrogen 2.974 N/A ASP 177.A N ARG 173.A O no hydrogen 2.935 N/A ALA 178.A N GLN 174.A O no hydrogen 2.976 N/A ALA 179.A N GLY 175.A O no hydrogen 3.009 N/A CYS 180.A N TYR 176.A O no hydrogen 2.950 N/A CYS 180.A SG TYR 176.A O no hydrogen 3.239 N/A ASP 181.A N ASP 177.A O no hydrogen 3.067 N/A ILE 182.A N ALA 178.A O no hydrogen 3.185 N/A TRP 183.A N ALA 179.A O no hydrogen 3.055 N/A SER 184.A N CYS 180.A O no hydrogen 3.003 N/A SER 184.A OG CYS 180.A O no hydrogen 3.439 N/A SER 184.A OG TYR 285.A OH no hydrogen 2.894 N/A LEU 185.A N ASP 181.A O no hydrogen 3.115 N/A GLY 186.A N ILE 182.A O no hydrogen 2.789 N/A VAL 187.A N TRP 183.A O no hydrogen 2.879 N/A LEU 188.A N SER 184.A O no hydrogen 3.064 N/A LEU 189.A N LEU 185.A O no hydrogen 2.958 N/A TYR 190.A N GLY 186.A O no hydrogen 2.924 N/A TYR 190.A OH SER 219.A O no hydrogen 2.641 N/A THR 191.A N VAL 187.A O no hydrogen 3.099 N/A THR 191.A OG1 VAL 187.A O no hydrogen 2.832 N/A THR 191.A OG1 TYR 195.A O no hydrogen 3.548 N/A THR 193.A N TYR 190.A O no hydrogen 3.294 N/A THR 193.A N THR 191.A O no hydrogen 3.330 N/A THR 193.A OG1 TYR 190.A O no hydrogen 2.882 N/A GLY 194.A N THR 191.A O no hydrogen 2.713 N/A TYR 195.A N THR 193.A OG1 no hydrogen 3.343 N/A ASN 200.A N ASP 204.A OD2 no hydrogen 2.668 N/A ASP 204.A N GLY 201.A O no hydrogen 3.343 N/A THR 205.A N GLU 208.A OE1 no hydrogen 2.710 N/A GLU 208.A N THR 205.A OG1 no hydrogen 3.116 N/A ILE 209.A N THR 205.A O no hydrogen 3.233 N/A LEU 210.A N PRO 206.A O no hydrogen 2.966 N/A ALA 211.A N GLU 207.A O no hydrogen 3.036 N/A ARG 212.A N GLU 208.A O no hydrogen 3.141 N/A ARG 212.A NH1 PHE 198.A O no hydrogen 3.005 N/A ARG 212.A NH1 ASP 204.A OD2 no hydrogen 2.763 N/A ILE 213.A N ILE 209.A O no hydrogen 2.967 N/A GLY 214.A N LEU 210.A O no hydrogen 2.916 N/A SER 215.A N ALA 211.A O no hydrogen 2.972 N/A SER 215.A N ARG 212.A O no hydrogen 3.140 N/A SER 215.A OG ARG 212.A O no hydrogen 2.782 N/A SER 215.A OG LYS 217.A O no hydrogen 3.220 N/A LYS 217.A N SER 215.A OG no hydrogen 3.142 N/A SER 221.A N SER 219.A OG no hydrogen 3.168 N/A GLY 222.A N ASN 226.A OD1 no hydrogen 2.253 N/A TRP 225.A N GLY 222.A O no hydrogen 2.904 N/A TRP 225.A NE1 TYR 190.A OH no hydrogen 3.259 N/A ASN 226.A N GLY 222.A O no hydrogen 2.835 N/A VAL 228.A N TRP 225.A O no hydrogen 2.756 N/A SER 229.A N GLU 95.A OE2 no hydrogen 2.859 N/A SER 229.A OG GLU 95.A OE1 no hydrogen 2.606 N/A SER 229.A OG GLU 95.A OE2 no hydrogen 3.196 N/A LYS 233.A N SER 229.A O no hydrogen 3.207 N/A LYS 233.A NZ TRP 225.A O no hydrogen 3.085 N/A LYS 233.A NZ ASN 226.A O no hydrogen 3.112 N/A LYS 233.A NZ VAL 228.A O no hydrogen 3.088 N/A ASP 234.A N ASP 230.A O no hydrogen 2.800 N/A LEU 235.A N THR 231.A O no hydrogen 3.062 N/A VAL 236.A N ALA 232.A O no hydrogen 2.914 N/A SER 237.A N LYS 233.A O no hydrogen 2.989 N/A SER 237.A OG LYS 233.A O no hydrogen 3.413 N/A SER 237.A OG ASP 234.A O no hydrogen 2.692 N/A LYS 238.A N ASP 234.A O no hydrogen 3.180 N/A LYS 238.A N LEU 235.A O no hydrogen 3.061 N/A LYS 238.A NZ ASP 234.A OD1 no hydrogen 2.932 N/A LYS 238.A NZ ASP 234.A OD2 no hydrogen 2.516 N/A ASP 242.A N HIS 240.A ND1 no hydrogen 3.106 N/A HIS 244.A N ASP 242.A OD1 no hydrogen 2.818 N/A GLN 245.A N ASP 242.A O no hydrogen 2.909 N/A GLN 245.A NE2 ASP 242.A OD2 no hydrogen 3.289 N/A ARG 246.A N ASP 242.A O no hydrogen 3.149 N/A ARG 246.A NE HIS 240.A O no hydrogen 2.913 N/A ARG 246.A NH1 ALA 179.A O no hydrogen 3.045 N/A ARG 246.A NH2 HIS 240.A O no hydrogen 2.784 N/A LEU 247.A N LYS 238.A O no hydrogen 3.220 N/A LEU 251.A N THR 248.A OG1 no hydrogen 3.152 N/A VAL 252.A N THR 248.A O no hydrogen 2.978 N/A LEU 253.A N ALA 249.A O no hydrogen 3.143 N/A ARG 254.A N LEU 251.A O no hydrogen 3.079 N/A HIS 255.A N VAL 252.A O no hydrogen 3.054 N/A HIS 255.A NE2 ASP 234.A OD1 no hydrogen 2.807 N/A TRP 257.A N HIS 255.A ND1 no hydrogen 3.146 N/A TRP 257.A NE1 GLU 95.A OE1 no hydrogen 2.954 N/A ILE 258.A N HIS 255.A O no hydrogen 2.944 N/A VAL 259.A N HIS 255.A O no hydrogen 2.842 N/A HIS 260.A N PRO 256.A O no hydrogen 2.805 N/A GLN 263.A N HIS 260.A O no hydrogen 3.047 N/A LEU 264.A N TRP 261.A O no hydrogen 3.062 N/A LEU 269.A N PHE 93.A O no hydrogen 2.940 N/A ARG 271.A NH1 ILE 87.A O no hydrogen 3.539 N/A ARG 271.A NH2 ILE 87.A O no hydrogen 2.973 N/A GLN 272.A N THR 193.A O no hydrogen 2.878 N/A VAL 278.A N ALA 274.A O no hydrogen 3.068 N/A LYS 279.A N PRO 275.A O no hydrogen 3.020 N/A GLY 280.A N HIS 276.A O no hydrogen 3.201 N/A ALA 281.A N LEU 277.A O no hydrogen 2.906 N/A ALA 283.A N GLY 280.A O no hydrogen 2.961 N/A THR 284.A N ALA 281.A O no hydrogen 2.958 N/A THR 284.A OG1 ALA 281.A O no hydrogen 2.899 N/A TYR 285.A OH SER 184.A OG no hydrogen 2.894 N/A SER 286.A N ALA 282.A O no hydrogen 2.866 N/A ALA 287.A N ALA 283.A O no hydrogen 2.999 N/A LEU 288.A N THR 284.A O no hydrogen 3.145 N/A ASN 289.A N TYR 285.A O no hydrogen 2.968 N/A ASN 289.A N SER 286.A O no hydrogen 3.350 N/A GLN 292.A N ASN 289.A O no hydrogen 3.193 N/A