Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qrx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 2.A O no hydrogen 2.916 N/A PHE 7.A N LEU 3.A O no hydrogen 2.798 N/A GLU 8.A N ILE 4.A O no hydrogen 3.082 N/A SER 9.A N GLN 5.A O no hydrogen 3.452 N/A SER 9.A OG LEU 6.A O no hydrogen 2.975 N/A TRP 10.A N PHE 7.A O no hydrogen 3.012 N/A TRP 10.A NE1 ASN 53.A O no hydrogen 3.132 N/A MET 11.A N PHE 7.A O no hydrogen 2.913 N/A LEU 12.A N GLU 8.A O no hydrogen 3.074 N/A LYS 13.A N TRP 10.A O no hydrogen 3.237 N/A HIS 14.A N TRP 10.A O no hydrogen 3.166 N/A HIS 14.A N MET 11.A O no hydrogen 2.891 N/A LYS 16.A N MET 11.A O no hydrogen 3.173 N/A TYR 18.A OH ASP 57.A OD1 no hydrogen 2.580 N/A LYS 19.A N GLU 23.A OE1 no hydrogen 3.172 N/A LYS 19.A NZ GLU 23.A OE1 no hydrogen 2.893 N/A LYS 19.A NZ GLU 23.A OE2 no hydrogen 2.599 N/A LYS 24.A NZ GLU 8.A OE1 no hydrogen 2.337 N/A LYS 24.A NZ GLU 8.A OE2 no hydrogen 3.093 N/A TYR 26.A N ASP 22.A O no hydrogen 3.155 N/A ARG 27.A N GLU 23.A O no hydrogen 2.563 N/A ARG 27.A NE GLU 23.A OE2 no hydrogen 3.052 N/A ARG 27.A NH1 ASP 57.A O no hydrogen 3.064 N/A ARG 27.A NH1 GLU 62.A OE1 no hydrogen 2.747 N/A ARG 27.A NH1 GLU 62.A OE2 no hydrogen 2.826 N/A ARG 27.A NH2 GLU 23.A OE2 no hydrogen 3.405 N/A ARG 27.A NH2 GLU 62.A OE2 no hydrogen 2.330 N/A PHE 28.A N LYS 24.A O no hydrogen 3.097 N/A GLU 29.A N ILE 25.A O no hydrogen 3.009 N/A ILE 30.A N TYR 26.A O no hydrogen 2.959 N/A PHE 31.A N ARG 27.A O no hydrogen 2.760 N/A LYS 32.A N PHE 28.A O no hydrogen 2.728 N/A LYS 32.A NZ GLU 29.A OE1 no hydrogen 2.634 N/A LYS 32.A NZ GLU 29.A OE2 no hydrogen 2.733 N/A ASP 33.A N GLU 29.A O no hydrogen 3.304 N/A ASN 34.A N ILE 30.A O no hydrogen 2.707 N/A ASN 34.A ND2 ALA 56.A O no hydrogen 3.100 N/A ASN 34.A ND2 MET 58.A O no hydrogen 2.839 N/A LEU 35.A N PHE 31.A O no hydrogen 2.781 N/A LYS 36.A N LYS 32.A O no hydrogen 3.035 N/A TYR 37.A N ASP 33.A O no hydrogen 3.244 N/A TYR 37.A OH ASP 220.A OD1 no hydrogen 3.131 N/A TYR 37.A OH ASP 220.A OD2 no hydrogen 3.114 N/A ILE 38.A N ASN 34.A O no hydrogen 2.822 N/A ASP 39.A N LEU 35.A O no hydrogen 2.802 N/A GLU 40.A N LYS 36.A O no hydrogen 2.774 N/A THR 41.A N ILE 38.A O no hydrogen 2.961 N/A THR 41.A OG1 TYR 37.A O no hydrogen 2.483 N/A ASN 42.A N ILE 38.A O no hydrogen 3.053 N/A ASN 42.A ND2 LEU 50.A O no hydrogen 2.696 N/A LYS 43.A NZ GLU 40.A OE1 no hydrogen 2.889 N/A LYS 44.A N THR 41.A O no hydrogen 3.098 N/A LYS 44.A NZ LYS 44.A O no hydrogen 3.404 N/A SER 47.A OG ILE 228.A O no hydrogen 2.664 N/A TYR 48.A OH GLY 231.A O no hydrogen 2.104 N/A TRP 49.A N GLY 226.A O no hydrogen 2.835 N/A LEU 50.A N ASN 42.A OD1 no hydrogen 2.768 N/A GLY 51.A N LEU 223.A O no hydrogen 2.957 N/A ASN 53.A ND2 GLN 222.A O no hydrogen 2.889 N/A ASN 53.A ND2 TYR 224.A O no hydrogen 3.255 N/A PHE 55.A N ASN 53.A OD1 no hydrogen 2.921 N/A ALA 56.A N ASN 53.A O no hydrogen 3.307 N/A MET 58.A N PHE 55.A O no hydrogen 3.059 N/A GLU 62.A N SER 59.A OG no hydrogen 3.356 N/A PHE 63.A N SER 59.A O no hydrogen 3.071 N/A LYS 64.A N ASN 60.A O no hydrogen 2.620 N/A LYS 64.A NZ GLU 65.A OE2 no hydrogen 3.054 N/A GLU 65.A N ASP 61.A O no hydrogen 2.980 N/A LYS 66.A N GLU 62.A O no hydrogen 3.148 N/A LYS 66.A NZ GLU 62.A OE2 no hydrogen 2.886 N/A TYR 67.A N PHE 63.A O no hydrogen 3.131 N/A THR 68.A N LYS 64.A O no hydrogen 3.068 N/A THR 68.A OG1 LYS 64.A O no hydrogen 2.370 N/A GLY 69.A N ASP 238.A O no hydrogen 2.758 N/A SER 70.A N ASP 238.A O no hydrogen 3.206 N/A VAL 85.A N TYR 246.A O no hydrogen 2.830 N/A TRP 87.A N VAL 244.A O no hydrogen 2.960 N/A TRP 87.A NE1 ILE 205.A O no hydrogen 2.744 N/A ARG 88.A N ASP 86.A OD1 no hydrogen 3.317 N/A ARG 88.A NE ASP 86.A OD1 no hydrogen 2.929 N/A GLN 89.A N ASP 86.A O no hydrogen 3.344 N/A GLY 91.A N ARG 88.A O no hydrogen 3.162 N/A ALA 92.A N TRP 87.A O no hydrogen 3.240 N/A THR 94.A OG1 GLU 115.A OE1 no hydrogen 2.267 N/A LYS 97.A NZ GLU 115.A OE2 no hydrogen 3.251 N/A LYS 97.A NZ GLU 130.A OE1 no hydrogen 3.537 N/A LYS 97.A NZ GLU 130.A OE2 no hydrogen 2.654 N/A GLN 99.A N SER 256.A O no hydrogen 2.479 N/A GLN 99.A NE2 SER 70.A OG no hydrogen 3.285 N/A GLN 99.A NE2 CYS 102.A O no hydrogen 2.944 N/A GLY 100.A N ASN 98.A OD1 no hydrogen 2.955 N/A CYS 102.A SG GLY 170.A O no hydrogen 3.759 N/A GLY 103.A N CYS 143.A O no hydrogen 3.191 N/A SER 104.A N CYS 102.A O no hydrogen 2.756 N/A SER 104.A OG TYR 168.A OH no hydrogen 2.784 N/A ALA 105.A N SER 70.A OG no hydrogen 3.341 N/A TRP 106.A NE1 GLY 142.A O no hydrogen 3.159 N/A ALA 107.A N SER 104.A O no hydrogen 2.504 N/A PHE 108.A N SER 104.A O no hydrogen 3.144 N/A SER 109.A N ALA 105.A O no hydrogen 2.731 N/A SER 109.A OG SER 211.A OG no hydrogen 2.284 N/A SER 109.A OG VAL 241.A O no hydrogen 2.709 N/A ALA 110.A N TRP 106.A O no hydrogen 3.373 N/A VAL 111.A N ALA 107.A O no hydrogen 2.877 N/A SER 112.A N PHE 108.A O no hydrogen 2.938 N/A SER 112.A OG PHE 108.A O no hydrogen 3.104 N/A THR 113.A N ALA 110.A O no hydrogen 3.301 N/A THR 113.A OG1 ALA 110.A O no hydrogen 2.506 N/A ILE 114.A N ALA 110.A O no hydrogen 3.110 N/A GLU 115.A N VAL 111.A O no hydrogen 2.707 N/A SER 116.A OG ALA 92.A O no hydrogen 2.686 N/A SER 116.A OG SER 112.A O no hydrogen 2.686 N/A ILE 117.A N THR 113.A O no hydrogen 2.867 N/A ILE 118.A N ILE 114.A O no hydrogen 3.180 N/A ILE 120.A N SER 116.A O no hydrogen 2.875 N/A ARG 121.A N ILE 118.A O no hydrogen 2.992 N/A ARG 121.A NH1 ILE 120.A O no hydrogen 2.791 N/A GLY 123.A N LYS 119.A O no hydrogen 2.931 N/A TYR 128.A N GLU 115.A OE2 no hydrogen 3.324 N/A SER 129.A OG TYR 166.A O no hydrogen 2.624 N/A GLN 131.A NE2 ASP 135.A OD2 no hydrogen 3.091 N/A GLN 131.A NE2 VAL 171.A O no hydrogen 2.932 N/A GLU 132.A N SER 129.A OG no hydrogen 2.805 N/A LEU 134.A N GLU 130.A O no hydrogen 2.759 N/A ASP 135.A N GLN 131.A O no hydrogen 2.814 N/A CYS 136.A N GLU 132.A O no hydrogen 2.905 N/A CYS 136.A SG SER 177.A OG no hydrogen 3.422 N/A ASP 137.A N LEU 133.A O no hydrogen 3.194 N/A ARG 139.A N ASP 137.A OD1 no hydrogen 2.755 N/A SER 140.A OG ASP 137.A OD2 no hydrogen 2.726 N/A TYR 141.A N GLY 145.A O no hydrogen 2.826 N/A ASN 144.A N TYR 141.A O no hydrogen 3.270 N/A ASN 144.A ND2 TYR 141.A O no hydrogen 3.485 N/A GLY 145.A N GLY 142.A O no hydrogen 3.266 N/A GLY 146.A N SER 70.A O no hydrogen 2.902 N/A TYR 147.A N SER 140.A OG no hydrogen 3.103 N/A SER 150.A OG ASP 137.A OD2 no hydrogen 2.334 N/A ALA 151.A N TYR 147.A O no hydrogen 3.016 N/A LEU 152.A N PRO 148.A O no hydrogen 2.838 N/A GLN 153.A N TRP 149.A O no hydrogen 2.680 N/A LEU 154.A N SER 150.A O no hydrogen 3.052 N/A LEU 154.A N ALA 151.A O no hydrogen 2.825 N/A VAL 155.A N ALA 151.A O no hydrogen 3.239 N/A ALA 156.A N LEU 152.A O no hydrogen 3.152 N/A GLN 157.A NE2 GLN 157.A O no hydrogen 2.518 N/A TYR 158.A N LEU 154.A O no hydrogen 2.779 N/A GLY 159.A N LEU 154.A O no hydrogen 3.122 N/A ILE 160.A N ALA 185.A O no hydrogen 2.671 N/A HIS 161.A ND1 GLU 132.A OE2 no hydrogen 2.878 N/A HIS 161.A NE2 GLY 181.A O no hydrogen 2.634 N/A ARG 163.A N GLU 127.A O no hydrogen 2.546 N/A THR 165.A N TYR 162.A O no hydrogen 2.990 N/A THR 165.A OG1 TYR 162.A O no hydrogen 3.365 N/A TYR 166.A N TYR 162.A O no hydrogen 3.257 N/A TYR 166.A OH ASP 135.A OD2 no hydrogen 2.485 N/A TYR 168.A OH GLN 99.A O no hydrogen 2.501 N/A TYR 168.A OH SER 104.A OG no hydrogen 2.784 N/A GLU 169.A N GLN 131.A OE1 no hydrogen 2.672 N/A GLN 172.A NE2 LEU 134.A O no hydrogen 3.215 N/A ARG 173.A N ASP 135.A OD1 no hydrogen 3.020 N/A ARG 173.A NE GLU 169.A OE1 no hydrogen 2.633 N/A ARG 173.A NH2 GLU 169.A OE1 no hydrogen 2.820 N/A CYS 175.A SG SER 177.A OG no hydrogen 3.370 N/A ARG 176.A N TYR 166.A OH no hydrogen 2.829 N/A ARG 176.A NE TYR 166.A OH no hydrogen 3.105 N/A ARG 176.A NE TYR 174.A O no hydrogen 3.396 N/A ARG 176.A NH1 GLU 169.A OE1 no hydrogen 3.289 N/A ARG 176.A NH1 GLU 169.A OE2 no hydrogen 2.942 N/A ARG 176.A NH2 ASP 135.A OD2 no hydrogen 2.435 N/A GLU 179.A N ARG 176.A O no hydrogen 2.951 N/A LYS 180.A N SER 177.A O no hydrogen 2.827 N/A ALA 185.A N ILE 160.A O no hydrogen 2.903 N/A LYS 186.A NZ ALA 156.A O no hydrogen 3.343 N/A LYS 186.A NZ THR 187.A O no hydrogen 2.968 N/A THR 187.A N VAL 155.A O no hydrogen 3.190 N/A ASP 188.A N VAL 290.A O no hydrogen 2.673 N/A ARG 191.A N TYR 288.A O no hydrogen 2.910 N/A ARG 191.A NH1 VAL 190.A O no hydrogen 2.888 N/A VAL 193.A N SER 286.A O no hydrogen 2.952 N/A TYR 196.A N TYR 283.A O no hydrogen 2.919 N/A ASN 197.A N GLN 194.A O no hydrogen 3.331 N/A ALA 200.A N ASN 197.A OD1 no hydrogen 2.464 N/A LEU 201.A N ASN 197.A O no hydrogen 3.372 N/A LEU 202.A N GLU 198.A O no hydrogen 2.666 N/A TYR 203.A N GLY 199.A O no hydrogen 2.900 N/A SER 204.A N ALA 200.A O no hydrogen 3.113 N/A SER 204.A OG ALA 200.A O no hydrogen 2.932 N/A ILE 205.A N LEU 201.A O no hydrogen 2.909 N/A ALA 206.A N LEU 202.A O no hydrogen 2.970 N/A GLN 208.A N SER 204.A O no hydrogen 3.162 N/A VAL 210.A N ALA 243.A O no hydrogen 3.388 N/A SER 211.A N PHE 287.A O no hydrogen 2.552 N/A SER 211.A OG SER 109.A OG no hydrogen 2.284 N/A VAL 212.A N VAL 241.A O no hydrogen 2.796 N/A LEU 214.A N HIS 239.A O no hydrogen 2.971 N/A GLU 215.A N CYS 280.A O no hydrogen 3.027 N/A ALA 216.A N ASP 238.A OD1 no hydrogen 2.717 N/A GLN 222.A N GLY 218.A O no hydrogen 3.297 N/A GLN 222.A NE2 MET 58.A O no hydrogen 3.484 N/A LEU 223.A N LYS 219.A O no hydrogen 3.131 N/A TYR 224.A N PHE 221.A O no hydrogen 3.128 N/A TYR 224.A OH GLY 227.A O no hydrogen 2.238 N/A ARG 225.A N TRP 49.A O no hydrogen 3.152 N/A ARG 225.A NH1 GLY 260.A O no hydrogen 2.662 N/A GLY 226.A N TRP 49.A O no hydrogen 3.340 N/A GLY 227.A N GLU 263.A OE2 no hydrogen 2.852 N/A ILE 228.A N SER 47.A O no hydrogen 2.937 N/A PHE 229.A N ARG 268.A O no hydrogen 2.793 N/A GLY 234.A N GLU 215.A OE2 no hydrogen 2.373 N/A ASN 235.A N GLU 215.A OE1 no hydrogen 2.422 N/A LYS 236.A N GLU 215.A OE1 no hydrogen 2.609 N/A VAL 237.A N ASN 235.A O no hydrogen 2.657 N/A ASP 238.A N LEU 214.A O no hydrogen 2.984 N/A HIS 239.A NE2 ASN 255.A OD1 no hydrogen 2.873 N/A VAL 241.A N VAL 212.A O no hydrogen 2.896 N/A ALA 242.A N ARG 254.A O no hydrogen 3.397 N/A ALA 243.A N VAL 210.A O no hydrogen 2.856 N/A TYR 246.A N VAL 85.A O no hydrogen 2.711 N/A TYR 246.A OH PRO 82.A O no hydrogen 2.727 N/A GLY 247.A N TYR 250.A O no hydrogen 3.026 N/A TYR 250.A N GLY 247.A O no hydrogen 3.046 N/A ILE 251.A N ILE 269.A O no hydrogen 2.755 N/A LEU 252.A N GLY 245.A O no hydrogen 2.464 N/A ILE 253.A N ILE 267.A O no hydrogen 2.989 N/A ARG 254.A N ALA 242.A O no hydrogen 2.999 N/A ARG 254.A NH2 THR 94.A O no hydrogen 2.982 N/A ASN 255.A N GLY 265.A O no hydrogen 2.944 N/A SER 256.A N ASN 255.A OD1 no hydrogen 2.511 N/A GLY 258.A N LYS 97.A O no hydrogen 3.322 N/A TRP 261.A NE1 PHE 221.A O no hydrogen 2.743 N/A GLY 262.A N TYR 224.A O no hydrogen 2.982 N/A GLU 263.A N TYR 266.A O no hydrogen 2.654 N/A ASN 264.A N GLY 262.A O no hydrogen 2.794 N/A GLY 265.A N TRP 261.A O no hydrogen 2.636 N/A TYR 266.A N GLU 263.A O no hydrogen 3.056 N/A ILE 267.A N ILE 253.A O no hydrogen 3.030 N/A ARG 268.A N TYR 224.A OH no hydrogen 3.440 N/A ILE 269.A N ILE 251.A O no hydrogen 2.841 N/A LYS 270.A N PHE 229.A O no hydrogen 2.619 N/A ARG 271.A N ASN 249.A O no hydrogen 2.769 N/A ARG 271.A NE GLU 198.A OE2 no hydrogen 2.973 N/A GLY 272.A N GLU 198.A OE1 no hydrogen 2.838 N/A GLY 278.A N ASN 275.A O no hydrogen 2.949 N/A CYS 280.A SG GLU 215.A O no hydrogen 3.991 N/A GLY 281.A N GLY 278.A O no hydrogen 2.774 N/A LEU 282.A N VAL 279.A O no hydrogen 3.291 N/A TYR 283.A N TYR 277.A O no hydrogen 2.794 N/A TYR 283.A OH GLU 198.A OE1 no hydrogen 2.309 N/A THR 284.A N GLY 281.A O no hydrogen 3.283 N/A THR 284.A OG1 GLY 281.A O no hydrogen 3.062 N/A PHE 287.A N SER 211.A O no hydrogen 2.835 N/A TYR 288.A N ARG 191.A O no hydrogen 3.085 N/A VAL 290.A N GLY 189.A O no hydrogen 2.999 N/A LYS 291.A NZ LYS 186.A O no hydrogen 3.020 N/A ASN 292.A N ASP 188.A OD2 no hydrogen 2.591 N/A