Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xr1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N LEU 3.A O no hydrogen 2.759 N/A TYR 7.A N LEU 3.A O no hydrogen 3.156 N/A GLN 8.A N ILE 25.A O no hydrogen 2.707 N/A GLN 8.A NE2 VAL 9.A O no hydrogen 2.932 N/A LEU 13.A N VAL 21.A O no hydrogen 2.770 N/A TYR 22.A N ILE 35.A O no hydrogen 2.844 N/A SER 23.A N PRO 11.A O no hydrogen 2.797 N/A GLY 24.A N VAL 33.A O no hydrogen 2.939 N/A ILE 25.A N GLN 8.A O no hydrogen 3.122 N/A ARG 26.A N LEU 31.A O no hydrogen 2.933 N/A ARG 26.A NE ASP 29.A OD1 no hydrogen 3.040 N/A ARG 26.A NE ASP 29.A OD2 no hydrogen 2.802 N/A ARG 26.A NH1 ASP 29.A OD1 no hydrogen 2.349 N/A VAL 27.A N GLN 6.A O no hydrogen 2.686 N/A SER 28.A OG ASP 29.A OD2 no hydrogen 2.989 N/A VAL 33.A N GLY 24.A O no hydrogen 3.057 N/A ALA 34.A N LEU 89.A O no hydrogen 2.785 N/A ILE 35.A N TYR 22.A O no hydrogen 2.904 N/A LYS 36.A N LEU 87.A O no hydrogen 2.879 N/A LYS 36.A NZ GLU 58.A OE1 no hydrogen 3.476 N/A LYS 36.A NZ GLU 58.A OE2 no hydrogen 2.833 N/A HIS 37.A N SER 20.A O no hydrogen 2.785 N/A VAL 38.A N PHE 85.A O no hydrogen 2.956 N/A LYS 40.A N ASP 83.A O no hydrogen 2.860 N/A LYS 40.A NZ GLU 80.A OE2 no hydrogen 3.073 N/A LYS 40.A NZ ARG 81.A O no hydrogen 2.761 N/A LYS 40.A NZ PRO 82.A O no hydrogen 3.287 N/A ILE 43.A N LYS 40.A O no hydrogen 3.109 N/A SER 44.A OG ASP 45.A OD2 no hydrogen 3.355 N/A GLY 47.A N VAL 55.A O no hydrogen 2.749 N/A LEU 49.A N THR 53.A O no hydrogen 3.368 N/A GLY 52.A N LEU 49.A O no hydrogen 2.843 N/A THR 53.A OG1 ASN 51.A O no hydrogen 3.485 N/A VAL 55.A N GLY 47.A O no hydrogen 3.121 N/A MET 57.A N ASP 45.A O no hydrogen 3.087 N/A VAL 59.A N PRO 56.A O no hydrogen 2.739 N/A VAL 60.A N PRO 56.A O no hydrogen 3.310 N/A LEU 61.A N MET 57.A O no hydrogen 3.045 N/A LEU 62.A N GLU 58.A O no hydrogen 2.994 N/A LYS 63.A N VAL 59.A O no hydrogen 3.168 N/A LYS 63.A NZ VAL 60.A O no hydrogen 2.920 N/A LYS 64.A N VAL 60.A O no hydrogen 3.194 N/A LYS 64.A N LEU 61.A O no hydrogen 3.122 N/A LYS 64.A NZ CYS 130.A O no hydrogen 3.309 N/A VAL 65.A N LEU 61.A O no hydrogen 3.101 N/A SER 66.A OG LYS 63.A O no hydrogen 2.767 N/A ILE 73.A N LEU 153.A O no hydrogen 3.067 N/A ARG 74.A N GLU 90.A OE1 no hydrogen 2.994 N/A ARG 74.A NH1 VAL 65.A O no hydrogen 2.676 N/A LEU 76.A N ILE 88.A O no hydrogen 2.695 N/A ASP 77.A N ILE 88.A O no hydrogen 3.350 N/A PHE 79.A N VAL 86.A O no hydrogen 2.842 N/A ARG 81.A N SER 84.A O no hydrogen 2.684 N/A SER 84.A N ARG 81.A O no hydrogen 3.102 N/A PHE 85.A N VAL 38.A O no hydrogen 3.006 N/A VAL 86.A N PHE 79.A O no hydrogen 2.801 N/A LEU 87.A N LYS 36.A O no hydrogen 2.784 N/A ILE 88.A N ASP 77.A O no hydrogen 2.717 N/A LEU 89.A N ALA 34.A O no hydrogen 2.865 N/A GLU 90.A N ARG 74.A O no hydrogen 3.128 N/A ARG 91.A N PRO 32.A O no hydrogen 3.179 N/A ARG 91.A NE VAL 33.A O no hydrogen 2.983 N/A ARG 91.A NH1 GLY 24.A O no hydrogen 3.373 N/A GLN 96.A N ILE 144.A O no hydrogen 3.323 N/A LEU 98.A N ILE 142.A O no hydrogen 3.081 N/A ASP 100.A N ASP 97.A OD2 no hydrogen 2.627 N/A PHE 101.A N ASP 97.A O no hydrogen 2.994 N/A ILE 102.A N LEU 98.A O no hydrogen 2.814 N/A THR 103.A N PHE 99.A O no hydrogen 2.966 N/A THR 103.A OG1 PHE 99.A O no hydrogen 2.695 N/A GLU 104.A N ASP 100.A O no hydrogen 2.966 N/A ARG 105.A N PHE 101.A O no hydrogen 3.217 N/A ARG 105.A NH1 HIS 272.A O no hydrogen 3.061 N/A ARG 105.A NH2 HIS 272.A O no hydrogen 3.237 N/A GLY 106.A N ILE 102.A O no hydrogen 2.416 N/A LEU 108.A N MET 204.A O no hydrogen 2.810 N/A ALA 113.A N GLN 109.A O no hydrogen 2.833 N/A ARG 114.A N GLU 110.A O no hydrogen 2.770 N/A ARG 114.A NE TRP 258.A O no hydrogen 2.718 N/A ARG 114.A NH2 TRP 258.A O no hydrogen 3.355 N/A SER 115.A N GLU 111.A O no hydrogen 3.315 N/A SER 115.A OG THR 268.A OG1 no hydrogen 2.770 N/A PHE 116.A N LEU 112.A O no hydrogen 3.070 N/A PHE 117.A N ALA 113.A O no hydrogen 2.846 N/A TRP 118.A N ARG 114.A O no hydrogen 3.063 N/A GLN 119.A N SER 115.A O no hydrogen 2.993 N/A GLN 119.A NE2 SER 115.A O no hydrogen 3.506 N/A GLN 119.A NE2 SER 115.A OG no hydrogen 3.016 N/A GLN 119.A NE2 GLY 149.A O no hydrogen 3.144 N/A VAL 120.A N PHE 116.A O no hydrogen 3.080 N/A LEU 121.A N PHE 117.A O no hydrogen 2.926 N/A GLU 122.A N TRP 118.A O no hydrogen 2.906 N/A ALA 123.A N GLN 119.A O no hydrogen 2.994 N/A VAL 124.A N VAL 120.A O no hydrogen 2.673 N/A ARG 125.A N LEU 121.A O no hydrogen 2.826 N/A ARG 125.A NE GLN 254.A OE1 no hydrogen 2.855 N/A ARG 125.A NH2 GLU 122.A OE2 no hydrogen 3.525 N/A ARG 125.A NH2 GLN 254.A OE1 no hydrogen 3.366 N/A HIS 126.A N GLU 122.A O no hydrogen 2.865 N/A HIS 126.A NE2 VAL 65.A O no hydrogen 3.011 N/A CYS 127.A N ALA 123.A O no hydrogen 2.959 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.399 N/A HIS 128.A N VAL 124.A O no hydrogen 3.041 N/A ASN 129.A N ARG 125.A O no hydrogen 3.025 N/A CYS 130.A N CYS 127.A O no hydrogen 3.037 N/A CYS 130.A SG LYS 64.A O no hydrogen 3.408 N/A CYS 130.A SG HIS 126.A O no hydrogen 3.548 N/A GLY 131.A N HIS 128.A O no hydrogen 3.162 N/A VAL 132.A N CYS 127.A O no hydrogen 2.740 N/A LEU 133.A N ALA 160.A O no hydrogen 2.753 N/A HIS 134.A NE2 ILE 154.A O no hydrogen 2.788 N/A ARG 135.A NE TYR 187.A OH no hydrogen 2.939 N/A ARG 135.A NH1 SER 158.A O no hydrogen 3.096 N/A ARG 135.A NH1 GLY 159.A O no hydrogen 2.842 N/A ARG 135.A NH2 ASP 169.A OD1 no hydrogen 3.006 N/A ARG 135.A NH2 ASP 169.A OD2 no hydrogen 2.716 N/A ARG 135.A NH2 TYR 187.A OH no hydrogen 3.140 N/A ASP 136.A N HIS 134.A ND1 no hydrogen 3.025 N/A LYS 138.A NZ GLU 140.A OE2 no hydrogen 2.761 N/A LYS 138.A NZ THR 173.A OG1 no hydrogen 2.903 N/A ASN 141.A N LYS 138.A O no hydrogen 2.751 N/A ASN 141.A ND2 ASP 136.A O no hydrogen 2.737 N/A ILE 142.A N ASP 139.A O no hydrogen 3.481 N/A LEU 143.A N LYS 152.A O no hydrogen 2.751 N/A ILE 144.A N GLN 96.A O no hydrogen 2.864 N/A ASP 145.A N GLU 150.A O no hydrogen 2.904 N/A LEU 146.A N PRO 94.A O no hydrogen 3.410 N/A ASN 147.A N ASP 145.A OD2 no hydrogen 3.131 N/A ARG 148.A N ASP 145.A OD2 no hydrogen 3.323 N/A GLY 149.A N ASP 145.A O no hydrogen 2.675 N/A GLU 150.A N ASP 145.A O no hydrogen 3.314 N/A LEU 151.A N GLN 119.A OE1 no hydrogen 2.903 N/A LYS 152.A N LEU 143.A O no hydrogen 2.738 N/A LYS 152.A NZ SER 70.A O no hydrogen 2.791 N/A LEU 153.A N GLY 71.A O no hydrogen 2.887 N/A ILE 154.A N ASN 141.A O no hydrogen 2.942 N/A GLY 157.A N ASP 155.A OD1 no hydrogen 3.242 N/A SER 158.A OG ASP 171.A O no hydrogen 2.940 N/A GLY 159.A N PHE 156.A O no hydrogen 2.776 N/A LEU 162.A N GLY 131.A O no hydrogen 2.815 N/A LYS 163.A N TYR 167.A OH no hydrogen 2.996 N/A LYS 163.A NZ VAL 166.A O no hydrogen 3.343 N/A TYR 167.A N TYR 187.A O no hydrogen 2.858 N/A TYR 167.A OH LEU 161.A O no hydrogen 2.806 N/A THR 173.A N ASP 136.A OD1 no hydrogen 3.368 N/A THR 173.A OG1 ASP 136.A OD1 no hydrogen 2.993 N/A ARG 174.A NE ASP 214.A OD1 no hydrogen 3.366 N/A ARG 174.A NH2 ASP 214.A OD1 no hydrogen 3.410 N/A ARG 174.A NH2 ASP 214.A OD2 no hydrogen 3.202 N/A TYR 176.A N THR 173.A O no hydrogen 2.962 N/A SER 177.A N ARG 174.A O no hydrogen 2.589 N/A SER 177.A OG ARG 174.A O no hydrogen 2.571 N/A GLU 180.A N GLU 180.A OE2 no hydrogen 2.828 N/A ILE 182.A N PRO 178.A O no hydrogen 3.312 N/A ARG 183.A N PRO 179.A O no hydrogen 2.868 N/A ARG 183.A NH2 TYR 184.A OH no hydrogen 2.672 N/A TYR 184.A N GLU 180.A O no hydrogen 2.736 N/A HIS 185.A N TRP 181.A O no hydrogen 2.546 N/A TYR 187.A N TYR 167.A O no hydrogen 3.124 N/A TYR 187.A OH ASP 169.A O no hydrogen 2.661 N/A SER 191.A OG HIS 188.A O no hydrogen 3.211 N/A ALA 192.A N HIS 188.A O no hydrogen 2.920 N/A ALA 193.A N GLY 189.A O no hydrogen 2.844 N/A VAL 194.A N ARG 190.A O no hydrogen 3.091 N/A TRP 195.A N SER 191.A O no hydrogen 3.220 N/A SER 196.A N ALA 192.A O no hydrogen 3.025 N/A SER 196.A OG ALA 193.A O no hydrogen 2.707 N/A LEU 197.A N ALA 193.A O no hydrogen 2.970 N/A GLY 198.A N VAL 194.A O no hydrogen 2.947 N/A ILE 199.A N TRP 195.A O no hydrogen 3.119 N/A LEU 200.A N SER 196.A O no hydrogen 2.920 N/A LEU 201.A N LEU 197.A O no hydrogen 2.993 N/A TYR 202.A N GLY 198.A O no hydrogen 3.219 N/A TYR 202.A OH PHE 223.A O no hydrogen 2.680 N/A ASP 203.A N ILE 199.A O no hydrogen 2.785 N/A MET 204.A N LEU 200.A O no hydrogen 2.878 N/A MET 204.A N LEU 201.A O no hydrogen 2.818 N/A VAL 205.A N LEU 201.A O no hydrogen 3.072 N/A CYS 206.A N TYR 202.A O no hydrogen 2.789 N/A GLY 207.A N ASP 203.A O no hydrogen 3.008 N/A ILE 209.A N ASP 208.A OD1 no hydrogen 2.583 N/A HIS 213.A N GLU 216.A OE2 no hydrogen 3.112 N/A ILE 217.A N HIS 213.A O no hydrogen 3.085 N/A ILE 218.A N ASP 214.A O no hydrogen 2.783 N/A ARG 219.A N GLU 215.A O no hydrogen 2.838 N/A GLY 220.A N GLU 216.A O no hydrogen 2.796 N/A ARG 225.A NE TYR 202.A OH no hydrogen 2.933 N/A ARG 225.A NH1 TYR 202.A OH no hydrogen 3.313 N/A GLN 226.A NE2 CYS 206.A O no hydrogen 3.665 N/A SER 229.A N GLU 110.A OE2 no hydrogen 2.742 N/A SER 229.A OG GLU 110.A OE1 no hydrogen 2.581 N/A SER 229.A OG GLU 110.A OE2 no hydrogen 3.332 N/A CYS 232.A N SER 229.A OG no hydrogen 3.368 N/A GLN 233.A N SER 229.A O no hydrogen 2.973 N/A GLN 233.A NE2 VAL 228.A O no hydrogen 3.103 N/A HIS 234.A N SER 230.A O no hydrogen 2.858 N/A HIS 234.A ND1 HIS 256.A NE2 no hydrogen 2.816 N/A LEU 235.A N GLU 231.A O no hydrogen 2.949 N/A ILE 236.A N CYS 232.A O no hydrogen 3.062 N/A ARG 237.A N GLN 233.A O no hydrogen 2.943 N/A ARG 237.A NH2 GLN 233.A OE1 no hydrogen 2.814 N/A TRP 238.A N HIS 234.A O no hydrogen 2.989 N/A CYS 239.A N LEU 235.A O no hydrogen 2.983 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.422 N/A LEU 240.A N ILE 236.A O no hydrogen 3.065 N/A LEU 240.A N ARG 237.A O no hydrogen 3.062 N/A ALA 241.A N TRP 238.A O no hydrogen 3.319 N/A SER 245.A OG ASP 246.A OD1 no hydrogen 3.552 N/A ASP 246.A N ARG 243.A O no hydrogen 2.657 N/A ARG 247.A N PRO 244.A O no hydrogen 2.983 N/A ARG 247.A NE ALA 241.A O no hydrogen 2.775 N/A ARG 247.A NH1 GLU 180.A OE1 no hydrogen 2.772 N/A ARG 247.A NH1 GLU 180.A OE2 no hydrogen 3.178 N/A ARG 247.A NH1 SER 191.A O no hydrogen 3.098 N/A ARG 247.A NH2 GLU 180.A OE2 no hydrogen 2.401 N/A ARG 247.A NH2 ALA 241.A O no hydrogen 3.096 N/A THR 249.A N GLU 252.A OE1 no hydrogen 2.828 N/A THR 249.A OG1 GLU 252.A OE1 no hydrogen 3.213 N/A GLU 252.A N THR 249.A OG1 no hydrogen 3.018 N/A ILE 253.A N THR 249.A O no hydrogen 2.862 N/A GLN 254.A N PHE 250.A O no hydrogen 3.105 N/A GLN 254.A NE2 GLU 122.A OE2 no hydrogen 2.575 N/A ASN 255.A N GLU 252.A O no hydrogen 3.308 N/A HIS 256.A N ILE 253.A O no hydrogen 3.079 N/A HIS 256.A NE2 HIS 234.A ND1 no hydrogen 2.816 N/A TRP 258.A N HIS 256.A ND1 no hydrogen 3.129 N/A TRP 258.A NE1 GLU 110.A OE1 no hydrogen 2.640 N/A MET 259.A N HIS 256.A O no hydrogen 2.802 N/A GLN 260.A N PRO 257.A O no hydrogen 3.102 N/A GLN 260.A NE2 GLN 254.A O no hydrogen 3.293 N/A GLN 260.A NE2 HIS 256.A O no hydrogen 3.179 N/A LEU 264.A N GLU 267.A OE2 no hydrogen 2.851 N/A GLN 266.A NE2 ASN 147.A O no hydrogen 3.279 N/A GLN 266.A NE2 GLN 266.A O no hydrogen 2.997 N/A THR 268.A N LEU 264.A O no hydrogen 2.901 N/A THR 268.A OG1 SER 115.A OG no hydrogen 2.770 N/A THR 268.A OG1 LEU 264.A O no hydrogen 3.346 N/A ALA 269.A N PRO 265.A O no hydrogen 2.868 N/A GLU 270.A N GLN 266.A O no hydrogen 2.802 N/A ILE 271.A N GLU 267.A O no hydrogen 2.844 N/A ILE 271.A N THR 268.A O no hydrogen 3.080 N/A HIS 272.A N THR 268.A O no hydrogen 2.629 N/A HIS 272.A NE2 GLU 111.A OE1 no hydrogen 2.640 N/A LEU 273.A N ALA 269.A O no hydrogen 2.696 N/A HIS 274.A N ALA 269.A O no hydrogen 2.559 N/A SER 275.A OG ILE 271.A O no hydrogen 3.461 N/A