Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 GLU 101.A OE1 no hydrogen 3.072 N/A SER 7.A N ASP 5.A OD1 no hydrogen 3.027 N/A SER 7.A OG ASP 5.A OD1 no hydrogen 2.586 N/A SER 7.A OG ASP 5.A OD2 no hydrogen 3.251 N/A ALA 8.A N ASP 5.A O no hydrogen 3.065 N/A LEU 9.A N LEU 6.A O no hydrogen 3.037 N/A ASN 10.A ND2 GLU 12.A OE2 no hydrogen 3.464 N/A GLU 12.A N ASN 10.A OD1 no hydrogen 3.157 N/A VAL 14.A N ASN 10.A O no hydrogen 3.122 N/A GLN 15.A N PRO 11.A O no hydrogen 3.078 N/A GLN 15.A NE2 PRO 11.A O no hydrogen 3.310 N/A ALA 16.A N GLU 12.A O no hydrogen 3.096 N/A VAL 17.A N LEU 13.A O no hydrogen 2.972 N/A GLN 18.A N VAL 14.A O no hydrogen 2.880 N/A HIS 19.A N GLN 15.A O no hydrogen 3.097 N/A VAL 20.A N VAL 17.A O no hydrogen 3.099 N/A VAL 21.A N GLN 18.A O no hydrogen 3.342 N/A ILE 22.A N ILE 96.A O no hydrogen 2.927 N/A SER 26.A N GLY 23.A O no hydrogen 2.977 N/A ILE 28.A N THR 47.A O no hydrogen 2.907 N/A HIS 30.A N HIS 45.A O no hydrogen 2.901 N/A HIS 30.A ND1 GLU 33.A OE2 no hydrogen 2.883 N/A HIS 30.A NE2 THR 47.A OG1 no hydrogen 2.673 N/A PHE 31.A N VAL 29.A O no hydrogen 2.752 N/A GLU 33.A N HIS 30.A O no hydrogen 2.896 N/A ILE 35.A N VAL 43.A O no hydrogen 2.745 N/A GLY 36.A N VAL 43.A O no hydrogen 3.348 N/A GLY 38.A N GLY 41.A O no hydrogen 2.922 N/A HIS 39.A NE2 ASP 155.A OD2 no hydrogen 2.491 N/A VAL 43.A N GLY 36.A O no hydrogen 2.850 N/A TYR 44.A N VAL 60.A O no hydrogen 2.865 N/A HIS 45.A N GLU 33.A O no hydrogen 3.084 N/A HIS 45.A ND1 HIS 57.A NE2 no hydrogen 2.816 N/A GLY 46.A N CYS 58.A O no hydrogen 2.893 N/A THR 47.A N ILE 28.A O no hydrogen 2.929 N/A THR 47.A OG1 HIS 30.A NE2 no hydrogen 2.673 N/A LEU 48.A N ILE 56.A O no hydrogen 2.786 N/A LEU 49.A N SER 26.A O no hydrogen 2.781 N/A ASP 50.A N LYS 54.A O no hydrogen 2.978 N/A ASP 52.A N ASP 50.A OD2 no hydrogen 2.833 N/A GLY 53.A N ASP 50.A O no hydrogen 2.950 N/A LYS 54.A N ASP 50.A OD2 no hydrogen 3.048 N/A ILE 56.A N LEU 48.A O no hydrogen 2.685 N/A HIS 57.A NE2 HIS 45.A ND1 no hydrogen 2.816 N/A CYS 58.A N GLY 46.A O no hydrogen 2.969 N/A ALA 59.A N LEU 108.A O no hydrogen 2.812 N/A VAL 60.A N TYR 44.A O no hydrogen 2.766 N/A LYS 61.A N VAL 106.A O no hydrogen 2.836 N/A LYS 61.A NZ GLU 78.A OE2 no hydrogen 2.744 N/A LYS 61.A NZ ASP 173.A OD1 no hydrogen 2.656 N/A SER 62.A N CYS 42.A O no hydrogen 3.217 N/A LEU 63.A N SER 103.A OG no hydrogen 2.916 N/A ASN 64.A N PHE 40.A O no hydrogen 3.027 N/A THR 67.A OG1 ASP 68.A OD2 no hydrogen 3.161 N/A GLU 71.A N ASP 68.A O no hydrogen 3.311 N/A GLU 71.A N ASP 68.A OD1 no hydrogen 3.018 N/A SER 73.A N ILE 69.A O no hydrogen 2.929 N/A GLN 74.A N GLY 70.A O no hydrogen 3.025 N/A PHE 75.A N GLU 71.A O no hydrogen 2.944 N/A LEU 76.A N VAL 72.A O no hydrogen 2.840 N/A THR 77.A N SER 73.A O no hydrogen 2.988 N/A THR 77.A OG1 SER 73.A O no hydrogen 2.916 N/A GLU 78.A N GLN 74.A O no hydrogen 3.003 N/A GLY 79.A N LEU 76.A O no hydrogen 3.042 N/A ILE 80.A N LEU 76.A O no hydrogen 2.914 N/A ILE 81.A N THR 77.A O no hydrogen 2.829 N/A MET 82.A N GLY 79.A O no hydrogen 3.094 N/A LYS 83.A N ILE 80.A O no hydrogen 3.034 N/A PHE 85.A N MET 82.A O no hydrogen 3.132 N/A SER 86.A N TYR 145.A OH no hydrogen 2.906 N/A ASN 89.A N HIS 87.A ND1 no hydrogen 2.984 N/A ASN 89.A ND2 GLN 138.A OE1 no hydrogen 3.093 N/A ASN 89.A ND2 VAL 169.A O no hydrogen 2.903 N/A VAL 90.A N HIS 87.A O no hydrogen 3.149 N/A LEU 91.A N VAL 171.A O no hydrogen 2.846 N/A SER 92.A OG PHE 85.A O no hydrogen 3.426 N/A LEU 94.A N VAL 107.A O no hydrogen 2.791 N/A GLY 95.A N VAL 107.A O no hydrogen 3.287 N/A ILE 96.A N VAL 20.A O no hydrogen 2.914 N/A CYS 97.A N LEU 105.A O no hydrogen 2.761 N/A CYS 97.A SG ILE 22.A O no hydrogen 3.636 N/A GLY 102.A N VAL 2.A O no hydrogen 2.768 N/A SER 103.A OG PRO 104.A O no hydrogen 2.754 N/A LEU 105.A N CYS 97.A O no hydrogen 2.733 N/A VAL 106.A N LYS 61.A O no hydrogen 2.996 N/A VAL 107.A N GLY 95.A O no hydrogen 2.857 N/A LEU 108.A N ALA 59.A O no hydrogen 2.857 N/A HIS 113.A N LEU 163.A O no hydrogen 2.951 N/A GLY 114.A N MET 111.A O no hydrogen 2.997 N/A LEU 116.A N CYS 161.A O no hydrogen 2.793 N/A ARG 117.A NH2 GLY 225.A O no hydrogen 2.924 N/A ASN 118.A N ASP 115.A OD2 no hydrogen 2.882 N/A ASN 118.A ND2 ASP 115.A OD1 no hydrogen 2.805 N/A PHE 119.A N ASP 115.A O no hydrogen 3.077 N/A ILE 120.A N LEU 116.A O no hydrogen 3.085 N/A ARG 121.A N ARG 117.A O no hydrogen 3.122 N/A ARG 121.A NH2 GLY 225.A O no hydrogen 2.817 N/A ASN 122.A N ASN 118.A O no hydrogen 3.186 N/A THR 124.A N ASN 122.A OD1 no hydrogen 3.094 N/A HIS 125.A N ASN 122.A OD1 no hydrogen 3.318 N/A HIS 125.A ND1 PHE 119.A O no hydrogen 3.116 N/A ASN 126.A N ASN 122.A O no hydrogen 3.306 N/A THR 128.A N ASP 131.A OD2 no hydrogen 3.007 N/A THR 128.A OG1 GLU 292.A O no hydrogen 2.713 N/A LYS 130.A NZ PHE 286.A O no hydrogen 2.860 N/A LYS 130.A NZ PHE 289.A O no hydrogen 2.644 N/A ASP 131.A N THR 128.A OG1 no hydrogen 3.036 N/A LEU 132.A N THR 128.A O no hydrogen 3.059 N/A ILE 133.A N VAL 129.A O no hydrogen 2.985 N/A GLY 134.A N LYS 130.A O no hydrogen 2.961 N/A PHE 135.A N ASP 131.A O no hydrogen 3.012 N/A GLY 136.A N LEU 132.A O no hydrogen 3.034 N/A LEU 137.A N ILE 133.A O no hydrogen 2.909 N/A GLN 138.A N GLY 134.A O no hydrogen 3.050 N/A GLN 138.A NE2 PHE 167.A O no hydrogen 3.559 N/A GLN 138.A NE2 HIS 297.A ND1 no hydrogen 2.817 N/A VAL 139.A N PHE 135.A O no hydrogen 3.058 N/A ALA 140.A N GLY 136.A O no hydrogen 2.950 N/A LYS 141.A N LEU 137.A O no hydrogen 2.988 N/A GLY 142.A N GLN 138.A O no hydrogen 3.062 N/A MET 143.A N VAL 139.A O no hydrogen 2.874 N/A LYS 144.A N ALA 140.A O no hydrogen 2.823 N/A TYR 145.A N LYS 141.A O no hydrogen 3.182 N/A LEU 146.A N GLY 142.A O no hydrogen 2.958 N/A ALA 147.A N MET 143.A O no hydrogen 2.829 N/A SER 148.A N LYS 144.A O no hydrogen 3.042 N/A SER 148.A OG TYR 145.A O no hydrogen 2.618 N/A LYS 149.A N TYR 145.A O no hydrogen 3.250 N/A LYS 149.A N LEU 146.A O no hydrogen 3.117 N/A LYS 150.A N ALA 147.A O no hydrogen 3.102 N/A PHE 151.A N LEU 146.A O no hydrogen 3.302 N/A VAL 152.A N ARG 178.A O no hydrogen 2.828 N/A HIS 153.A N ASP 210.A OD2 no hydrogen 2.762 N/A HIS 153.A NE2 ASP 173.A O no hydrogen 2.658 N/A ARG 154.A N ASP 210.A OD1 no hydrogen 2.971 N/A ARG 154.A NE LEU 176.A O no hydrogen 2.760 N/A ARG 154.A NH2 LEU 176.A O no hydrogen 3.042 N/A ASP 155.A N HIS 153.A ND1 no hydrogen 3.030 N/A ALA 158.A N GLU 220.A OE1 no hydrogen 2.949 N/A ARG 159.A NH2 ASP 155.A OD1 no hydrogen 3.472 N/A ASN 160.A N ALA 157.A O no hydrogen 2.858 N/A ASN 160.A ND2 ASP 155.A O no hydrogen 2.806 N/A CYS 161.A N ALA 158.A O no hydrogen 3.123 N/A CYS 161.A SG ALA 157.A O no hydrogen 3.846 N/A MET 162.A N LYS 170.A O no hydrogen 2.940 N/A LEU 163.A N GLY 114.A O no hydrogen 2.941 N/A ASP 164.A N THR 168.A O no hydrogen 3.122 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.808 N/A LYS 166.A N ASP 164.A OD1 no hydrogen 2.918 N/A PHE 167.A N ASP 164.A O no hydrogen 3.022 N/A THR 168.A N ASP 164.A OD1 no hydrogen 2.978 N/A THR 168.A OG1 ASP 164.A OD1 no hydrogen 3.544 N/A VAL 169.A N GLN 138.A OE1 no hydrogen 2.766 N/A LYS 170.A N MET 162.A O no hydrogen 2.844 N/A LYS 170.A NZ PRO 88.A O no hydrogen 2.785 N/A VAL 171.A N ASN 89.A O no hydrogen 2.856 N/A ALA 172.A N ASN 160.A O no hydrogen 2.799 N/A ASP 173.A N ASN 160.A O no hydrogen 3.227 N/A GLY 175.A N ASP 173.A OD2 no hydrogen 3.000 N/A ALA 177.A N PHE 174.A O no hydrogen 3.116 N/A ARG 178.A N VAL 152.A O no hydrogen 2.906 N/A ARG 178.A NH1 ALA 177.A O no hydrogen 2.948 N/A MET 180.A N LYS 150.A O no hydrogen 2.854 N/A TYR 181.A N ASP 179.A OD1 no hydrogen 2.903 N/A LYS 183.A N MET 180.A O no hydrogen 2.964 N/A VAL 186.A N GLN 203.A O no hydrogen 3.082 N/A VAL 192.A N LEU 190.A O no hydrogen 2.833 N/A LYS 193.A NZ TYR 229.A O no hydrogen 2.797 N/A LYS 193.A NZ VAL 232.A O no hydrogen 2.818 N/A TRP 194.A N PRO 191.A O no hydrogen 3.033 N/A TRP 194.A NE1 GLU 220.A OE1 no hydrogen 2.845 N/A MET 195.A N VAL 192.A O no hydrogen 3.251 N/A GLU 198.A N GLU 198.A OE2 no hydrogen 2.803 N/A SER 199.A OG LYS 204.A O no hydrogen 2.843 N/A LEU 200.A N ALA 196.A O no hydrogen 3.094 N/A GLN 201.A N LEU 197.A O no hydrogen 3.217 N/A THR 202.A N GLU 198.A O no hydrogen 2.823 N/A THR 202.A OG1 GLU 198.A O no hydrogen 2.674 N/A GLN 203.A N SER 199.A O no hydrogen 2.857 N/A THR 206.A N SER 209.A OG no hydrogen 2.766 N/A LYS 208.A NZ ALA 269.A O no hydrogen 3.394 N/A LYS 208.A NZ ARG 272.A O no hydrogen 2.818 N/A SER 209.A N THR 206.A O no hydrogen 2.976 N/A SER 209.A N THR 206.A OG1 no hydrogen 3.143 N/A SER 209.A OG THR 206.A O no hydrogen 2.669 N/A ASP 210.A N THR 206.A O no hydrogen 3.109 N/A VAL 211.A N THR 207.A O no hydrogen 2.943 N/A TRP 212.A N LYS 208.A O no hydrogen 3.273 N/A SER 213.A N SER 209.A O no hydrogen 3.203 N/A SER 213.A OG TRP 194.A O no hydrogen 2.737 N/A SER 213.A OG SER 209.A O no hydrogen 3.461 N/A PHE 214.A N ASP 210.A O no hydrogen 2.789 N/A GLY 215.A N VAL 211.A O no hydrogen 3.034 N/A VAL 216.A N TRP 212.A O no hydrogen 3.219 N/A LEU 217.A N SER 213.A O no hydrogen 2.862 N/A LEU 218.A N PHE 214.A O no hydrogen 2.826 N/A TRP 219.A N GLY 215.A O no hydrogen 3.034 N/A TRP 219.A NE1 LEU 248.A O no hydrogen 2.802 N/A GLU 220.A N VAL 216.A O no hydrogen 2.853 N/A LEU 221.A N LEU 217.A O no hydrogen 2.885 N/A MET 222.A N LEU 218.A O no hydrogen 2.929 N/A THR 223.A N TRP 219.A O no hydrogen 3.023 N/A THR 223.A OG1 TRP 219.A O no hydrogen 2.944 N/A THR 223.A OG1 GLU 220.A O no hydrogen 3.099 N/A ARG 224.A N LEU 221.A O no hydrogen 3.050 N/A ARG 224.A NH1 PRO 127.A O no hydrogen 2.996 N/A ARG 224.A NH2 PRO 127.A O no hydrogen 2.473 N/A GLY 225.A N GLU 220.A O no hydrogen 2.733 N/A ALA 226.A N THR 223.A OG1 no hydrogen 3.111 N/A VAL 232.A N TYR 229.A O no hydrogen 3.324 N/A ASN 233.A ND2 ASP 236.A OD2 no hydrogen 3.124 N/A ASP 236.A N ASN 233.A O no hydrogen 2.883 N/A ILE 237.A N THR 234.A O no hydrogen 3.399 N/A TYR 240.A N ASP 236.A O no hydrogen 3.081 N/A LEU 241.A N ILE 237.A O no hydrogen 2.921 N/A LEU 242.A N THR 238.A O no hydrogen 2.911 N/A GLN 243.A N VAL 239.A O no hydrogen 2.969 N/A GLY 244.A N LEU 241.A O no hydrogen 2.969 N/A ARG 245.A N TYR 240.A O no hydrogen 3.327 N/A ARG 245.A NH2 GLN 243.A OE1 no hydrogen 2.480 N/A ARG 246.A NE TRP 265.A O no hydrogen 3.123 N/A ARG 246.A NH1 LEU 241.A O no hydrogen 2.979 N/A ARG 246.A NH1 ARG 245.A O no hydrogen 2.814 N/A ARG 246.A NH2 TRP 265.A O no hydrogen 3.023 N/A GLN 249.A NE2 CYS 253.A O no hydrogen 2.764 N/A GLN 249.A NE2 ASP 255.A OD1 no hydrogen 2.807 N/A CYS 253.A N PRO 250.A O no hydrogen 3.320 N/A CYS 253.A SG PRO 254.A O no hydrogen 3.541 N/A TYR 258.A N PRO 254.A O no hydrogen 3.126 N/A TYR 258.A OH LEU 247.A O no hydrogen 2.717 N/A GLU 259.A N ASP 255.A O no hydrogen 3.094 N/A VAL 260.A N PRO 256.A O no hydrogen 3.142 N/A MET 261.A N LEU 257.A O no hydrogen 3.104 N/A LEU 262.A N TYR 258.A O no hydrogen 2.991 N/A LYS 263.A N GLU 259.A O no hydrogen 3.080 N/A LYS 263.A NZ GLU 259.A OE2 no hydrogen 2.954 N/A CYS 264.A N VAL 260.A O no hydrogen 3.107 N/A CYS 264.A SG VAL 260.A O no hydrogen 3.421 N/A TRP 265.A N LEU 262.A O no hydrogen 3.068 N/A HIS 266.A N LYS 263.A O no hydrogen 3.397 N/A LYS 268.A N HIS 266.A ND1 no hydrogen 3.086 N/A GLU 270.A N GLU 270.A OE1 no hydrogen 2.866 N/A MET 271.A N LYS 268.A O no hydrogen 3.018 N/A ARG 272.A N ALA 269.A O no hydrogen 3.117 N/A ARG 272.A NE HIS 266.A O no hydrogen 2.915 N/A ARG 272.A NH1 GLU 198.A OE1 no hydrogen 2.777 N/A ARG 272.A NH1 LYS 208.A O no hydrogen 2.979 N/A ARG 272.A NH2 GLU 198.A OE1 no hydrogen 3.465 N/A ARG 272.A NH2 GLU 198.A OE2 no hydrogen 2.708 N/A ARG 272.A NH2 HIS 266.A O no hydrogen 2.999 N/A GLU 277.A N SER 274.A OG no hydrogen 2.951 N/A LEU 278.A N SER 274.A O no hydrogen 2.913 N/A VAL 279.A N PHE 275.A O no hydrogen 2.881 N/A SER 280.A N SER 276.A O no hydrogen 3.143 N/A SER 280.A OG SER 276.A O no hydrogen 3.436 N/A ARG 281.A N GLU 277.A O no hydrogen 2.949 N/A ARG 281.A NE GLU 277.A OE2 no hydrogen 3.143 N/A ARG 281.A NH1 GLU 277.A OE2 no hydrogen 3.491 N/A ILE 282.A N LEU 278.A O no hydrogen 2.874 N/A SER 283.A N VAL 279.A O no hydrogen 2.881 N/A ALA 284.A N SER 280.A O no hydrogen 3.091 N/A ILE 285.A N ARG 281.A O no hydrogen 3.081 N/A PHE 286.A N ILE 282.A O no hydrogen 2.778 N/A SER 287.A N SER 283.A O no hydrogen 2.955 N/A SER 287.A OG SER 283.A O no hydrogen 2.928 N/A SER 287.A OG ALA 284.A O no hydrogen 3.236 N/A THR 288.A N ALA 284.A O no hydrogen 3.182 N/A THR 288.A OG1 ALA 284.A O no hydrogen 2.852 N/A THR 288.A OG1 ILE 285.A O no hydrogen 3.386 N/A PHE 289.A N PHE 286.A O no hydrogen 3.328 N/A HIS 293.A ND1 ASP 131.A OD1 no hydrogen 2.784 N/A HIS 294.A N ASP 131.A OD1 no hydrogen 2.911 N/A HIS 294.A ND1 ASP 131.A OD2 no hydrogen 3.072 N/A