Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rjq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N GLU 291.A O no hydrogen 2.474 N/A LYS 2.A N GLU 291.A O no hydrogen 2.709 N/A ALA 4.A N VAL 289.A O no hydrogen 3.140 N/A LEU 8.A N GLN 59.A OE1 no hydrogen 3.221 N/A PHE 9.A N CYS 84.A O no hydrogen 3.263 N/A CYS 10.A SG ALA 29.A O no hydrogen 3.910 N/A ALA 11.A N HIS 82.A O no hydrogen 2.882 N/A SER 12.A N VAL 31.A O no hydrogen 3.169 N/A LYS 15.A N ASN 23.A OD1 no hydrogen 3.130 N/A VAL 21.A N SER 75.A O no hydrogen 3.437 N/A HIS 22.A N GLU 20.A OE2 no hydrogen 2.793 N/A ASN 23.A N GLU 20.A OE1 no hydrogen 3.142 N/A VAL 24.A N GLU 20.A O no hydrogen 2.963 N/A TRP 25.A N VAL 21.A O no hydrogen 2.954 N/A ALA 26.A N HIS 22.A O no hydrogen 2.615 N/A THR 27.A N ASN 23.A O no hydrogen 3.049 N/A THR 27.A OG1 ASN 23.A O no hydrogen 3.041 N/A THR 27.A OG1 VAL 24.A O no hydrogen 3.145 N/A ALA 29.A N TRP 25.A O no hydrogen 2.952 N/A CYS 30.A N ALA 26.A O no hydrogen 2.572 N/A VAL 31.A N CYS 10.A O no hydrogen 3.194 N/A GLN 38.A NE2 GLN 112.A OE1 no hydrogen 2.983 N/A MET 40.A N THR 110.A O no hydrogen 2.997 N/A LEU 42.A N VAL 108.A O no hydrogen 2.879 N/A GLU 47.A N CYS 105.A O no hydrogen 3.102 N/A ASN 48.A N GLU 47.A OE1 no hydrogen 3.315 N/A PHE 49.A N GLY 103.A O no hydrogen 2.665 N/A MET 51.A N GLY 101.A O no hydrogen 3.047 N/A TRP 52.A N ASN 50.A OD1 no hydrogen 2.813 N/A LYS 53.A N ASN 50.A O no hydrogen 3.144 N/A ASN 54.A ND2 TYR 287.A O no hydrogen 3.031 N/A MET 56.A N ASN 54.A OD1 no hydrogen 2.775 N/A VAL 57.A N ASN 54.A O no hydrogen 3.132 N/A GLN 59.A N ASP 55.A O no hydrogen 3.228 N/A GLN 59.A NE2 THR 6.A O no hydrogen 2.875 N/A MET 60.A N MET 56.A O no hydrogen 3.170 N/A HIS 61.A N VAL 57.A O no hydrogen 3.063 N/A GLU 62.A N GLU 58.A O no hydrogen 3.130 N/A ASP 63.A N GLN 59.A O no hydrogen 3.229 N/A ILE 64.A N MET 60.A O no hydrogen 3.087 N/A ILE 65.A N HIS 61.A O no hydrogen 3.009 N/A SER 66.A N GLU 62.A O no hydrogen 3.164 N/A LEU 67.A N ASP 63.A O no hydrogen 2.702 N/A TRP 68.A N ILE 64.A O no hydrogen 2.873 N/A ASP 69.A N ILE 65.A O no hydrogen 2.826 N/A GLU 70.A N SER 66.A O no hydrogen 3.062 N/A SER 71.A N LEU 67.A O no hydrogen 3.038 N/A LEU 72.A N TRP 68.A O no hydrogen 2.910 N/A ASP 77.A N GLU 20.A OE2 no hydrogen 3.099 N/A LEU 81.A N ILE 117.A O no hydrogen 2.910 N/A HIS 82.A N ALA 11.A O no hydrogen 3.104 N/A HIS 82.A ND1 THR 114.A O no hydrogen 2.421 N/A TYR 83.A N THR 114.A OG1 no hydrogen 3.153 N/A TYR 83.A OH ASP 63.A OD2 no hydrogen 3.336 N/A CYS 84.A N PHE 9.A O no hydrogen 2.777 N/A CYS 84.A SG PHE 9.A O no hydrogen 3.853 N/A ALA 85.A N GLN 112.A O no hydrogen 2.839 N/A PHE 89.A N PRO 86.A O no hydrogen 2.876 N/A ALA 90.A N VAL 290.A O no hydrogen 2.851 N/A ILE 91.A N VAL 111.A O no hydrogen 2.847 N/A LEU 92.A N LYS 288.A O no hydrogen 2.884 N/A LYS 93.A N SER 109.A O no hydrogen 3.222 N/A CYS 94.A N LYS 286.A O no hydrogen 3.046 N/A ASN 95.A N ASN 107.A O no hydrogen 2.744 N/A THR 98.A N ASN 96.A OD1 no hydrogen 2.816 N/A PHE 99.A N ASN 96.A O no hydrogen 3.108 N/A THR 102.A N ASN 100.A OD1 no hydrogen 2.857 N/A GLY 103.A N PHE 49.A O no hydrogen 3.221 N/A CYS 105.A N GLU 47.A O no hydrogen 2.877 N/A CYS 105.A SG ASN 107.A O no hydrogen 3.686 N/A ASN 107.A ND2 LEU 42.A O no hydrogen 3.160 N/A SER 109.A N LYS 93.A O no hydrogen 2.885 N/A SER 109.A OG ASN 95.A OD1 no hydrogen 2.477 N/A THR 110.A N MET 40.A O no hydrogen 3.074 N/A VAL 111.A N ILE 91.A O no hydrogen 3.017 N/A THR 114.A N TYR 83.A O no hydrogen 3.039 N/A THR 114.A OG1 HIS 115.A O no hydrogen 2.817 N/A HIS 115.A N TYR 287.A OH no hydrogen 3.003 N/A HIS 115.A ND1 TYR 287.A OH no hydrogen 2.745 N/A ILE 117.A N LEU 81.A O no hydrogen 2.744 N/A VAL 120.A N LYS 118.A O no hydrogen 3.013 N/A SER 122.A OG LEU 125.A O no hydrogen 2.934 N/A THR 123.A N SER 210.A O no hydrogen 3.195 N/A THR 123.A OG1 GLU 205.A O no hydrogen 2.721 N/A GLN 124.A NE2 ILE 206.A O no hydrogen 3.085 N/A LEU 126.A N GLY 257.A O no hydrogen 3.072 N/A ASN 128.A N ASN 254.A O no hydrogen 2.723 N/A GLY 129.A N THR 256.A OG1 no hydrogen 3.244 N/A SER 130.A N GLU 283.A OE2 no hydrogen 3.098 N/A SER 130.A OG GLU 283.A OE1 no hydrogen 2.959 N/A ALA 132.A N LEU 154.A O no hydrogen 2.843 N/A ILE 137.A N HIS 153.A O no hydrogen 3.095 N/A ARG 139.A N ILE 151.A O no hydrogen 2.942 N/A ARG 139.A NH2 HIS 153.A ND1 no hydrogen 2.790 N/A SER 140.A OG THR 149.A O no hydrogen 3.497 N/A ASN 142.A N SER 140.A OG no hydrogen 3.244 N/A THR 144.A OG1 ASN 142.A OD1 no hydrogen 3.139 N/A ASN 145.A N ASN 142.A O no hydrogen 2.831 N/A ASN 146.A ND2 ARG 262.A O no hydrogen 3.315 N/A ALA 147.A N ASN 145.A OD1 no hydrogen 3.142 N/A LYS 148.A N ASN 145.A O no hydrogen 3.047 N/A ILE 150.A N LEU 260.A O no hydrogen 2.804 N/A ILE 151.A N ARG 139.A O no hydrogen 2.792 N/A VAL 152.A N LEU 258.A O no hydrogen 2.930 N/A HIS 153.A N ILE 137.A O no hydrogen 2.668 N/A HIS 153.A NE2 SER 130.A O no hydrogen 2.966 N/A LEU 154.A N THR 256.A O no hydrogen 2.970 N/A ASN 155.A ND2 GLU 134.A O no hydrogen 2.400 N/A VAL 158.A N ILE 255.A O no hydrogen 3.273 N/A ILE 160.A N SER 253.A O no hydrogen 3.040 N/A THR 163.A N HIS 166.A O no hydrogen 3.326 N/A CYS 167.A N LEU 243.A O no hydrogen 3.131 N/A ILE 169.A N ILE 241.A O no hydrogen 3.391 N/A LYS 173.A N ASN 170.A OD1 no hydrogen 3.019 N/A TRP 174.A N ASN 170.A O no hydrogen 2.920 N/A ASN 175.A N GLU 171.A O no hydrogen 3.036 N/A THR 177.A N LYS 173.A O no hydrogen 3.263 N/A THR 177.A OG1 LYS 173.A O no hydrogen 2.529 N/A THR 177.A OG1 TRP 174.A O no hydrogen 2.833 N/A LEU 178.A N TRP 174.A O no hydrogen 3.029 N/A GLN 179.A N ASN 175.A O no hydrogen 3.243 N/A GLN 179.A NE2 GLU 183.A OE1 no hydrogen 3.054 N/A VAL 181.A N THR 177.A O no hydrogen 2.962 N/A GLY 182.A N LEU 178.A O no hydrogen 2.753 N/A GLU 183.A N GLN 179.A O no hydrogen 2.842 N/A GLU 184.A N LYS 180.A O no hydrogen 3.015 N/A LEU 185.A N VAL 181.A O no hydrogen 2.712 N/A ALA 186.A N GLY 182.A O no hydrogen 2.590 N/A LYS 187.A N GLU 183.A O no hydrogen 3.011 N/A LYS 187.A N GLU 184.A O no hydrogen 3.080 N/A HIS 188.A N GLU 184.A O no hydrogen 3.408 N/A HIS 188.A ND1 GLU 184.A O no hydrogen 2.685 N/A PHE 189.A N LEU 185.A O no hydrogen 2.615 N/A LYS 192.A N PRO 190.A O no hydrogen 2.652 N/A PHE 196.A N GLY 228.A O no hydrogen 2.811 N/A GLU 197.A N PHE 269.A O no hydrogen 2.991 N/A SER 199.A OG ILE 206.A O no hydrogen 3.203 N/A SER 199.A OG PRO 271.A O no hydrogen 2.986 N/A THR 207.A N ASP 203.A O no hydrogen 3.000 N/A THR 207.A OG1 ASP 203.A O no hydrogen 3.422 N/A THR 208.A N LEU 204.A O no hydrogen 3.233 N/A THR 208.A OG1 LEU 204.A O no hydrogen 2.683 N/A THR 208.A OG1 SER 210.A OG no hydrogen 3.255 N/A HIS 209.A N CYS 220.A O no hydrogen 2.746 N/A SER 210.A N THR 123.A OG1 no hydrogen 3.028 N/A SER 210.A OG GLU 205.A O no hydrogen 3.536 N/A SER 210.A OG THR 208.A OG1 no hydrogen 3.255 N/A PHE 211.A N PHE 218.A O no hydrogen 3.163 N/A CYS 213.A N GLU 216.A O no hydrogen 3.002 N/A GLY 215.A N ASN 212.A OD1 no hydrogen 2.905 N/A GLU 216.A N CYS 213.A O no hydrogen 2.846 N/A PHE 218.A N PHE 211.A O no hydrogen 2.924 N/A TYR 219.A N LYS 246.A O no hydrogen 3.106 N/A CYS 220.A N HIS 209.A O no hydrogen 2.699 N/A CYS 220.A SG LEU 243.A O no hydrogen 3.035 N/A ASN 221.A N GLN 244.A O no hydrogen 2.758 N/A THR 222.A OG1 GLN 124.A OE1 no hydrogen 2.837 N/A SER 223.A N ASN 221.A OD1 no hydrogen 3.203 N/A SER 223.A OG ASN 221.A OD1 no hydrogen 2.181 N/A PHE 226.A N THR 222.A O no hydrogen 3.282 N/A TYR 230.A N ILE 194.A O no hydrogen 3.009 N/A TYR 235.A N THR 229.A O no hydrogen 3.342 N/A THR 238.A OG1 ASP 224.A O no hydrogen 2.274 N/A THR 238.A OG1 ASN 236.A OD1 no hydrogen 3.186 N/A THR 238.A OG1 HIS 237.A O no hydrogen 2.741 N/A ILE 241.A N ILE 169.A O no hydrogen 3.190 N/A THR 242.A OG1 ASN 168.A OD1 no hydrogen 2.983 N/A LEU 243.A N CYS 167.A O no hydrogen 3.268 N/A CYS 245.A N ALA 165.A O no hydrogen 2.857 N/A LYS 246.A N TYR 219.A O no hydrogen 2.885 N/A CYS 251.A SG THR 250.A O no hydrogen 3.323 N/A SER 253.A N ILE 160.A O no hydrogen 3.196 N/A ASN 254.A N ASN 128.A OD1 no hydrogen 3.124 N/A ILE 255.A N VAL 158.A O no hydrogen 2.847 N/A THR 256.A N LEU 126.A O no hydrogen 2.807 N/A THR 256.A OG1 LEU 126.A O no hydrogen 3.357 N/A LEU 258.A N VAL 152.A O no hydrogen 2.785 N/A LEU 259.A N GLN 124.A O no hydrogen 3.239 N/A LEU 260.A N ILE 150.A O no hydrogen 2.739 N/A LEU 261.A N ARG 270.A O no hydrogen 2.869 N/A ARG 262.A NH2 LEU 143.A O no hydrogen 2.670 N/A ASP 263.A N THR 268.A O no hydrogen 3.180 N/A GLU 267.A N THR 193.A O no hydrogen 2.856 N/A PHE 269.A N LYS 195.A O no hydrogen 2.875 N/A ARG 270.A N LEU 261.A O no hydrogen 2.875 N/A ARG 270.A NE ASP 263.A OD1 no hydrogen 3.393 N/A ARG 270.A NE ASP 263.A OD2 no hydrogen 2.984 N/A ARG 270.A NH1 PRO 198.A O no hydrogen 3.072 N/A ARG 270.A NH2 ASP 263.A OD2 no hydrogen 3.265 N/A GLY 272.A N LEU 259.A O no hydrogen 2.724 N/A ASP 278.A N ASP 275.A O no hydrogen 3.149 N/A ASN 279.A ND2 VAL 120.A O no hydrogen 3.237 N/A ASN 279.A ND2 SER 122.A O no hydrogen 3.414 N/A TRP 280.A N MET 276.A O no hydrogen 3.236 N/A TRP 280.A NE1 HIS 61.A ND1 no hydrogen 2.868 N/A ARG 281.A N ARG 277.A O no hydrogen 2.992 N/A ARG 281.A NH1 ASP 278.A OD1 no hydrogen 2.825 N/A SER 282.A N ASP 278.A O no hydrogen 2.636 N/A SER 282.A OG ASN 279.A O no hydrogen 2.544 N/A GLU 283.A N TRP 280.A O no hydrogen 2.604 N/A LEU 284.A N TRP 280.A O no hydrogen 2.823 N/A TYR 287.A OH HIS 115.A ND1 no hydrogen 2.745 N/A LYS 288.A N LEU 92.A O no hydrogen 3.151 N/A LYS 288.A NZ GLU 47.A OE1 no hydrogen 3.329 N/A LYS 288.A NZ ASN 48.A O no hydrogen 2.709 N/A VAL 290.A N ALA 90.A O no hydrogen 3.114 N/A GLU 291.A N LYS 2.A O no hydrogen 2.845 N/A ILE 292.A N GLY 88.A O no hydrogen 2.781 N/A