Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5t3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 GLU 99.A OE1 no hydrogen 2.813 N/A SER 7.A N ASP 5.A OD1 no hydrogen 3.301 N/A SER 7.A OG ASP 5.A OD1 no hydrogen 2.590 N/A ALA 8.A N ASP 5.A O no hydrogen 3.294 N/A LEU 9.A N LEU 6.A O no hydrogen 3.136 N/A ASN 10.A ND2 GLU 12.A OE2 no hydrogen 2.874 N/A LEU 13.A N ASN 10.A OD1 no hydrogen 3.027 N/A VAL 14.A N ASN 10.A O no hydrogen 3.197 N/A GLN 15.A N PRO 11.A O no hydrogen 3.034 N/A ALA 16.A N GLU 12.A O no hydrogen 3.047 N/A VAL 17.A N LEU 13.A O no hydrogen 2.884 N/A GLN 18.A N GLN 15.A O no hydrogen 3.409 N/A GLN 18.A NE2 VAL 14.A O no hydrogen 2.841 N/A VAL 20.A N VAL 17.A O no hydrogen 2.809 N/A VAL 21.A N GLN 18.A O no hydrogen 3.131 N/A ILE 22.A N ILE 94.A O no hydrogen 2.882 N/A SER 26.A N GLY 23.A O no hydrogen 2.924 N/A SER 26.A OG LEU 47.A O no hydrogen 3.499 N/A LEU 27.A N GLY 23.A O no hydrogen 2.986 N/A ILE 28.A N THR 45.A O no hydrogen 2.858 N/A HIS 30.A N HIS 43.A O no hydrogen 2.815 N/A HIS 30.A NE2 THR 45.A OG1 no hydrogen 3.193 N/A GLU 33.A N HIS 30.A O no hydrogen 2.987 N/A ILE 35.A N VAL 41.A O no hydrogen 2.793 N/A HIS 37.A ND1 HIS 37.A O no hydrogen 3.215 N/A CYS 40.A SG TYR 42.A OH no hydrogen 2.960 N/A TYR 42.A N VAL 58.A O no hydrogen 2.752 N/A HIS 43.A N GLU 33.A O no hydrogen 2.943 N/A HIS 43.A ND1 HIS 55.A NE2 no hydrogen 2.764 N/A GLY 44.A N CYS 56.A O no hydrogen 2.961 N/A THR 45.A N ILE 28.A O no hydrogen 2.797 N/A THR 45.A OG1 HIS 30.A NE2 no hydrogen 3.193 N/A LEU 46.A N ILE 54.A O no hydrogen 2.801 N/A LEU 47.A N SER 26.A O no hydrogen 2.747 N/A ASP 48.A N LYS 52.A O no hydrogen 3.195 N/A ASP 50.A N ASP 48.A OD1 no hydrogen 3.108 N/A GLY 51.A N ASP 48.A O no hydrogen 3.218 N/A LYS 52.A N ASP 48.A OD1 no hydrogen 3.145 N/A ILE 54.A N LEU 46.A O no hydrogen 2.831 N/A HIS 55.A NE2 HIS 43.A ND1 no hydrogen 2.764 N/A CYS 56.A N GLY 44.A O no hydrogen 2.960 N/A ALA 57.A N LEU 106.A O no hydrogen 2.781 N/A VAL 58.A N TYR 42.A O no hydrogen 2.824 N/A LYS 59.A N VAL 104.A O no hydrogen 2.850 N/A LYS 59.A NZ PHE 38.A O no hydrogen 3.326 N/A SER 60.A N CYS 40.A O no hydrogen 2.813 N/A SER 60.A OG ASN 62.A OD1 no hydrogen 2.724 N/A LEU 61.A N PRO 102.A O no hydrogen 2.935 N/A ILE 64.A N LEU 61.A O no hydrogen 3.266 N/A THR 65.A N GLU 69.A OE1 no hydrogen 2.872 N/A THR 65.A OG1 ARG 63.A O no hydrogen 3.429 N/A ASP 66.A N GLU 69.A OE1 no hydrogen 2.883 N/A GLU 69.A N ASP 66.A OD1 no hydrogen 3.065 N/A VAL 70.A N ASP 66.A O no hydrogen 2.941 N/A SER 71.A N ILE 67.A O no hydrogen 2.900 N/A SER 71.A OG ILE 67.A O no hydrogen 2.547 N/A GLN 72.A N GLY 68.A O no hydrogen 2.867 N/A PHE 73.A N GLU 69.A O no hydrogen 2.858 N/A LEU 74.A N VAL 70.A O no hydrogen 2.936 N/A THR 75.A N SER 71.A O no hydrogen 3.125 N/A THR 75.A OG1 SER 71.A O no hydrogen 3.072 N/A GLU 76.A N GLN 72.A O no hydrogen 2.988 N/A GLY 77.A N PHE 73.A O no hydrogen 3.092 N/A ILE 78.A N LEU 74.A O no hydrogen 2.967 N/A ILE 79.A N THR 75.A O no hydrogen 3.033 N/A MET 80.A N GLU 76.A O no hydrogen 2.961 N/A LYS 81.A N GLY 77.A O no hydrogen 2.979 N/A ASP 82.A N ILE 79.A O no hydrogen 3.209 N/A PHE 83.A N MET 80.A O no hydrogen 3.057 N/A SER 84.A N TYR 143.A OH no hydrogen 2.937 N/A ASN 87.A N HIS 85.A ND1 no hydrogen 2.993 N/A ASN 87.A ND2 GLN 136.A OE1 no hydrogen 3.108 N/A ASN 87.A ND2 VAL 167.A O no hydrogen 3.045 N/A VAL 88.A N HIS 85.A O no hydrogen 3.202 N/A LEU 89.A N VAL 169.A O no hydrogen 2.865 N/A LEU 92.A N VAL 105.A O no hydrogen 2.811 N/A GLY 93.A N VAL 105.A O no hydrogen 3.427 N/A ILE 94.A N VAL 20.A O no hydrogen 2.935 N/A CYS 95.A N LEU 103.A O no hydrogen 2.867 N/A CYS 95.A SG ILE 22.A O no hydrogen 3.385 N/A ARG 97.A NE SER 101.A O no hydrogen 3.054 N/A ARG 97.A NH2 SER 101.A O no hydrogen 2.812 N/A GLY 100.A N VAL 2.A O no hydrogen 2.876 N/A SER 101.A OG ASN 62.A OD1 no hydrogen 3.014 N/A LEU 103.A N CYS 95.A O no hydrogen 3.038 N/A VAL 104.A N LYS 59.A O no hydrogen 2.904 N/A VAL 105.A N GLY 93.A O no hydrogen 2.914 N/A LEU 106.A N ALA 57.A O no hydrogen 2.883 N/A TYR 108.A N HIS 55.A O no hydrogen 3.160 N/A HIS 111.A N LEU 161.A O no hydrogen 2.991 N/A GLY 112.A N MET 109.A O no hydrogen 3.092 N/A LEU 114.A N CYS 159.A O no hydrogen 2.718 N/A ASN 116.A N ASP 113.A OD1 no hydrogen 2.878 N/A PHE 117.A N ASP 113.A O no hydrogen 3.072 N/A ILE 118.A N LEU 114.A O no hydrogen 2.946 N/A ARG 119.A N ARG 115.A O no hydrogen 3.026 N/A ARG 119.A NH2 GLY 207.A O no hydrogen 2.833 N/A ASN 120.A N ASN 116.A O no hydrogen 3.110 N/A THR 122.A N ASN 120.A OD1 no hydrogen 2.936 N/A THR 122.A OG1 ASN 120.A OD1 no hydrogen 2.688 N/A HIS 123.A N ASN 120.A O no hydrogen 3.002 N/A HIS 123.A ND1 PHE 117.A O no hydrogen 2.873 N/A ASN 124.A N TYR 276.A OH no hydrogen 3.166 N/A THR 126.A N ASP 129.A OD2 no hydrogen 2.922 N/A THR 126.A OG1 ASP 129.A OD2 no hydrogen 3.134 N/A THR 126.A OG1 GLY 273.A O no hydrogen 2.737 N/A LYS 128.A NZ PHE 268.A O no hydrogen 2.601 N/A LYS 128.A NZ PHE 271.A O no hydrogen 2.730 N/A ASP 129.A N THR 126.A OG1 no hydrogen 2.953 N/A LEU 130.A N THR 126.A O no hydrogen 3.003 N/A ILE 131.A N VAL 127.A O no hydrogen 2.979 N/A GLY 132.A N LYS 128.A O no hydrogen 2.827 N/A PHE 133.A N ASP 129.A O no hydrogen 2.952 N/A GLY 134.A N LEU 130.A O no hydrogen 3.112 N/A LEU 135.A N ILE 131.A O no hydrogen 2.814 N/A GLN 136.A N GLY 132.A O no hydrogen 2.953 N/A GLN 136.A NE2 PHE 165.A O no hydrogen 3.408 N/A VAL 137.A N PHE 133.A O no hydrogen 3.062 N/A ALA 138.A N GLY 134.A O no hydrogen 3.006 N/A LYS 139.A N LEU 135.A O no hydrogen 2.984 N/A GLY 140.A N GLN 136.A O no hydrogen 3.096 N/A MET 141.A N VAL 137.A O no hydrogen 2.857 N/A LYS 142.A N ALA 138.A O no hydrogen 2.767 N/A TYR 143.A N LYS 139.A O no hydrogen 3.059 N/A LEU 144.A N GLY 140.A O no hydrogen 3.031 N/A ALA 145.A N MET 141.A O no hydrogen 2.797 N/A SER 146.A N LYS 142.A O no hydrogen 2.969 N/A SER 146.A OG TYR 143.A O no hydrogen 2.370 N/A LYS 147.A N TYR 143.A O no hydrogen 3.151 N/A LYS 147.A N LEU 144.A O no hydrogen 2.994 N/A LYS 148.A N ALA 145.A O no hydrogen 2.850 N/A PHE 149.A N LEU 144.A O no hydrogen 3.004 N/A HIS 151.A N ASP 192.A OD2 no hydrogen 2.708 N/A HIS 151.A NE2 ALA 170.A O no hydrogen 2.868 N/A ARG 152.A N ASP 192.A OD1 no hydrogen 2.924 N/A ASP 153.A N HIS 151.A ND1 no hydrogen 3.062 N/A ALA 156.A N GLU 202.A OE1 no hydrogen 2.849 N/A ARG 157.A NH1 ASP 153.A OD1 no hydrogen 3.317 N/A ASN 158.A N ALA 155.A O no hydrogen 2.887 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.757 N/A ASN 158.A ND2 ASP 153.A OD2 no hydrogen 3.004 N/A CYS 159.A N ALA 156.A O no hydrogen 3.140 N/A CYS 159.A SG ALA 155.A O no hydrogen 3.729 N/A MET 160.A N LYS 168.A O no hydrogen 2.744 N/A LEU 161.A N GLY 112.A O no hydrogen 2.891 N/A ASP 162.A N THR 166.A O no hydrogen 3.085 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.739 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.830 N/A PHE 165.A N ASP 162.A O no hydrogen 2.968 N/A THR 166.A N ASP 162.A OD1 no hydrogen 2.907 N/A THR 166.A OG1 ASP 162.A OD1 no hydrogen 3.332 N/A THR 166.A OG1 ASP 162.A OD2 no hydrogen 3.564 N/A THR 166.A OG1 HIS 278.A NE2 no hydrogen 2.670 N/A VAL 167.A N GLN 136.A OE1 no hydrogen 2.821 N/A LYS 168.A N MET 160.A O no hydrogen 2.798 N/A LYS 168.A NZ PRO 86.A O no hydrogen 2.662 N/A VAL 169.A N ASN 87.A O no hydrogen 2.871 N/A ALA 170.A N ASN 158.A O no hydrogen 3.029 N/A VAL 174.A N LEU 172.A O no hydrogen 3.109 N/A LYS 175.A NZ PRO 210.A O no hydrogen 3.490 N/A LYS 175.A NZ TYR 211.A O no hydrogen 2.720 N/A LYS 175.A NZ VAL 214.A O no hydrogen 2.887 N/A TRP 176.A N PRO 173.A O no hydrogen 3.083 N/A TRP 176.A NE1 GLU 202.A OE1 no hydrogen 2.908 N/A MET 177.A N VAL 174.A O no hydrogen 3.106 N/A GLU 180.A N GLU 180.A OE2 no hydrogen 2.841 N/A SER 181.A OG LYS 186.A O no hydrogen 2.758 N/A LEU 182.A N ALA 178.A O no hydrogen 3.013 N/A THR 184.A N GLU 180.A O no hydrogen 2.751 N/A THR 184.A OG1 GLU 180.A O no hydrogen 2.809 N/A GLN 185.A N SER 181.A O no hydrogen 3.072 N/A THR 188.A N SER 191.A OG no hydrogen 2.654 N/A LYS 190.A NZ ARG 254.A O no hydrogen 2.757 N/A SER 191.A N THR 188.A OG1 no hydrogen 3.179 N/A SER 191.A OG THR 188.A O no hydrogen 2.699 N/A ASP 192.A N THR 188.A O no hydrogen 3.041 N/A VAL 193.A N THR 189.A O no hydrogen 2.955 N/A TRP 194.A N LYS 190.A O no hydrogen 3.392 N/A SER 195.A N SER 191.A O no hydrogen 3.124 N/A SER 195.A OG TRP 176.A O no hydrogen 2.691 N/A SER 195.A OG SER 191.A O no hydrogen 3.313 N/A PHE 196.A N ASP 192.A O no hydrogen 2.838 N/A GLY 197.A N VAL 193.A O no hydrogen 3.129 N/A VAL 198.A N TRP 194.A O no hydrogen 3.236 N/A LEU 199.A N SER 195.A O no hydrogen 2.876 N/A LEU 200.A N PHE 196.A O no hydrogen 2.842 N/A TRP 201.A N GLY 197.A O no hydrogen 3.063 N/A TRP 201.A NE1 LEU 230.A O no hydrogen 2.691 N/A GLU 202.A N VAL 198.A O no hydrogen 2.847 N/A LEU 203.A N LEU 199.A O no hydrogen 2.871 N/A MET 204.A N LEU 200.A O no hydrogen 3.045 N/A THR 205.A N TRP 201.A O no hydrogen 3.062 N/A THR 205.A OG1 TRP 201.A O no hydrogen 3.061 N/A THR 205.A OG1 GLU 202.A O no hydrogen 3.044 N/A ARG 206.A N LEU 203.A O no hydrogen 2.931 N/A ARG 206.A NE ILE 118.A O no hydrogen 2.758 N/A ARG 206.A NH1 ILE 118.A O no hydrogen 2.892 N/A ARG 206.A NH1 HIS 123.A O no hydrogen 2.943 N/A ARG 206.A NH2 HIS 123.A O no hydrogen 3.371 N/A GLY 207.A N GLU 202.A O no hydrogen 2.708 N/A ALA 208.A N THR 205.A OG1 no hydrogen 3.189 N/A VAL 214.A N TYR 211.A O no hydrogen 3.202 N/A ASN 215.A ND2 ASP 218.A OD2 no hydrogen 3.284 N/A ASP 218.A N ASN 215.A O no hydrogen 3.145 N/A TYR 222.A N ASP 218.A O no hydrogen 3.218 N/A LEU 223.A N ILE 219.A O no hydrogen 3.015 N/A LEU 224.A N THR 220.A O no hydrogen 2.898 N/A GLN 225.A N VAL 221.A O no hydrogen 2.804 N/A GLY 226.A N LEU 223.A O no hydrogen 3.024 N/A ARG 227.A N TYR 222.A O no hydrogen 3.279 N/A ARG 227.A NH2 GLN 225.A OE1 no hydrogen 3.294 N/A ARG 228.A NE TRP 247.A O no hydrogen 3.246 N/A ARG 228.A NH1 LEU 223.A O no hydrogen 3.006 N/A ARG 228.A NH1 ARG 227.A O no hydrogen 2.938 N/A ARG 228.A NH2 TRP 247.A O no hydrogen 2.820 N/A GLN 231.A NE2 CYS 235.A O no hydrogen 2.917 N/A GLN 231.A NE2 ASP 237.A OD1 no hydrogen 2.836 N/A CYS 235.A N PRO 232.A O no hydrogen 3.043 N/A CYS 235.A SG PRO 236.A O no hydrogen 3.468 N/A TYR 240.A N PRO 236.A O no hydrogen 3.076 N/A TYR 240.A OH LEU 229.A O no hydrogen 2.614 N/A GLU 241.A N ASP 237.A O no hydrogen 2.943 N/A VAL 242.A N PRO 238.A O no hydrogen 3.207 N/A MET 243.A N LEU 239.A O no hydrogen 3.012 N/A LEU 244.A N TYR 240.A O no hydrogen 2.987 N/A LYS 245.A N GLU 241.A O no hydrogen 3.091 N/A LYS 245.A NZ GLU 241.A OE1 no hydrogen 3.036 N/A CYS 246.A N VAL 242.A O no hydrogen 3.055 N/A CYS 246.A SG VAL 242.A O no hydrogen 3.368 N/A TRP 247.A N MET 243.A O no hydrogen 3.159 N/A TRP 247.A N LEU 244.A O no hydrogen 3.148 N/A HIS 248.A N LYS 245.A O no hydrogen 3.292 N/A LYS 250.A N HIS 248.A ND1 no hydrogen 3.130 N/A MET 253.A N LYS 250.A O no hydrogen 2.763 N/A ARG 254.A N ALA 251.A O no hydrogen 3.108 N/A ARG 254.A NE HIS 248.A O no hydrogen 2.889 N/A ARG 254.A NH1 GLU 180.A OE1 no hydrogen 2.678 N/A ARG 254.A NH1 GLU 180.A OE2 no hydrogen 3.482 N/A ARG 254.A NH1 LYS 190.A O no hydrogen 3.030 N/A ARG 254.A NH2 GLU 180.A OE2 no hydrogen 2.760 N/A ARG 254.A NH2 HIS 248.A O no hydrogen 2.893 N/A SER 256.A N GLU 259.A OE2 no hydrogen 2.927 N/A GLU 259.A N SER 256.A OG no hydrogen 2.873 N/A LEU 260.A N SER 256.A O no hydrogen 2.823 N/A VAL 261.A N PHE 257.A O no hydrogen 2.868 N/A SER 262.A N SER 258.A O no hydrogen 3.254 N/A ARG 263.A N GLU 259.A O no hydrogen 2.950 N/A ILE 264.A N LEU 260.A O no hydrogen 2.791 N/A SER 265.A N VAL 261.A O no hydrogen 2.921 N/A ALA 266.A N SER 262.A O no hydrogen 3.220 N/A ILE 267.A N ARG 263.A O no hydrogen 3.109 N/A PHE 268.A N ILE 264.A O no hydrogen 2.838 N/A SER 269.A N SER 265.A O no hydrogen 3.226 N/A SER 269.A OG SER 265.A O no hydrogen 3.566 N/A SER 269.A OG ALA 266.A O no hydrogen 2.719 N/A THR 270.A N ILE 267.A O no hydrogen 3.184 N/A THR 270.A OG1 ILE 267.A O no hydrogen 2.802 N/A PHE 271.A N PHE 268.A O no hydrogen 3.100 N/A HIS 275.A N ASP 129.A OD2 no hydrogen 2.799 N/A HIS 275.A ND1 ASN 124.A O no hydrogen 2.680 N/A TYR 276.A N ASP 129.A OD1 no hydrogen 2.951 N/A HIS 278.A NE2 THR 166.A OG1 no hydrogen 2.670 N/A