Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rks_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N ASP 255.A OD1 no hydrogen 3.241 N/A ALA 4.A N HIS 31.A ND1 no hydrogen 2.989 N/A HIS 5.A NE2 THR 34.A OG1 no hydrogen 2.840 N/A PHE 6.A N LYS 32.A O no hydrogen 2.895 N/A VAL 7.A N ILE 75.A O no hydrogen 2.893 N/A LEU 8.A N THR 34.A O no hydrogen 2.760 N/A ILE 9.A N VAL 77.A O no hydrogen 2.852 N/A HIS 10.A ND1 THR 11.A O no hydrogen 2.851 N/A THR 11.A N GLU 79.A OE1 no hydrogen 2.591 N/A CYS 13.A SG MET 147.A O no hydrogen 4.032 N/A HIS 14.A N THR 11.A O no hydrogen 3.046 N/A HIS 14.A ND1 ILE 12.A O no hydrogen 3.071 N/A ALA 16.A N ASP 37.A OD1 no hydrogen 2.903 N/A ILE 18.A N GLY 15.A O no hydrogen 2.980 N/A TRP 19.A N ALA 16.A O no hydrogen 2.913 N/A HIS 20.A N TRP 17.A O no hydrogen 2.977 N/A HIS 20.A NE2 GLU 166.A OE1 no hydrogen 2.626 N/A LYS 21.A NZ LEU 240.A O no hydrogen 2.910 N/A LYS 21.A NZ THR 243.A OG1 no hydrogen 3.312 N/A LYS 23.A N TRP 19.A O no hydrogen 3.010 N/A LYS 23.A NZ GLU 27.A OE2 no hydrogen 2.862 N/A ALA 25.A N LYS 21.A O no hydrogen 3.490 N/A LEU 26.A N LEU 22.A O no hydrogen 3.060 N/A GLU 27.A N LYS 23.A O no hydrogen 3.096 N/A ARG 28.A N PRO 24.A O no hydrogen 2.913 N/A ALA 29.A N LEU 26.A O no hydrogen 3.295 N/A GLY 30.A N GLU 27.A O no hydrogen 2.654 N/A HIS 31.A N LEU 26.A O no hydrogen 3.151 N/A HIS 31.A NE2 GLN 251.A OE1 no hydrogen 2.967 N/A LYS 32.A N ALA 4.A O no hydrogen 2.942 N/A THR 34.A N PHE 6.A O no hydrogen 3.062 N/A THR 34.A OG1 HIS 5.A NE2 no hydrogen 2.840 N/A LEU 36.A N LEU 8.A O no hydrogen 3.357 N/A MET 38.A N HIS 10.A NE2 no hydrogen 2.856 N/A ALA 39.A N TYR 57.A O no hydrogen 3.325 N/A ALA 40.A N ASP 44.A OD2 no hydrogen 2.815 N/A SER 41.A N MET 38.A O no hydrogen 3.093 N/A SER 41.A OG ALA 39.A O no hydrogen 2.865 N/A ILE 43.A N ASP 37.A OD2 no hydrogen 3.071 N/A ASP 44.A N SER 41.A O no hydrogen 2.801 N/A ARG 46.A N ASP 44.A OD2 no hydrogen 3.000 N/A ARG 46.A NE ASP 44.A OD2 no hydrogen 2.919 N/A ARG 46.A NH1 GLU 59.A OE1 no hydrogen 2.867 N/A ARG 46.A NH2 ASP 44.A OD1 no hydrogen 2.983 N/A ARG 46.A NH2 GLU 59.A OE1 no hydrogen 2.838 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.737 N/A GLN 50.A N GLN 47.A O no hydrogen 3.080 N/A ILE 51.A N ILE 48.A O no hydrogen 3.110 N/A ASN 52.A N GLU 56.A OE2 no hydrogen 3.142 N/A ASN 52.A ND2 GLU 56.A OE1 no hydrogen 3.076 N/A ASN 52.A ND2 GLU 56.A OE2 no hydrogen 3.372 N/A GLU 56.A N SER 53.A OG no hydrogen 3.132 N/A TYR 57.A N SER 53.A O no hydrogen 3.031 N/A SER 58.A N ASP 55.A O no hydrogen 3.320 N/A SER 58.A OG PHE 54.A O no hydrogen 2.805 N/A GLU 59.A N GLU 56.A O no hydrogen 2.972 N/A LEU 62.A N SER 58.A O no hydrogen 3.162 N/A THR 63.A N GLU 59.A O no hydrogen 2.883 N/A THR 63.A OG1 GLU 59.A O no hydrogen 2.885 N/A THR 63.A OG1 GLU 59.A OE2 no hydrogen 2.426 N/A PHE 64.A N PRO 60.A O no hydrogen 3.050 N/A LEU 65.A N LEU 61.A O no hydrogen 3.006 N/A GLU 66.A N LEU 62.A O no hydrogen 2.904 N/A GLU 66.A N THR 63.A O no hydrogen 3.242 N/A LYS 67.A N THR 63.A O no hydrogen 3.272 N/A LEU 68.A N LEU 65.A O no hydrogen 3.338 N/A GLU 72.A N PRO 69.A O no hydrogen 3.304 N/A VAL 74.A N LYS 96.A O no hydrogen 2.813 N/A ILE 75.A N HIS 5.A O no hydrogen 2.890 N/A ILE 76.A N ALA 99.A O no hydrogen 2.951 N/A VAL 77.A N VAL 7.A O no hydrogen 2.849 N/A GLY 78.A N VAL 101.A O no hydrogen 2.984 N/A GLU 79.A N ILE 9.A O no hydrogen 3.248 N/A SER 80.A N HIS 103.A O no hydrogen 3.370 N/A SER 80.A N ASN 104.A O no hydrogen 3.224 N/A CYS 81.A N THR 11.A OG1 no hydrogen 2.939 N/A ALA 82.A N GLU 79.A O no hydrogen 2.854 N/A LEU 84.A N CYS 81.A O no hydrogen 2.857 N/A ASN 85.A ND2 SER 58.A OG no hydrogen 2.799 N/A ILE 86.A N ALA 82.A O no hydrogen 3.072 N/A ALA 87.A N GLY 83.A O no hydrogen 3.211 N/A ILE 88.A N LEU 84.A O no hydrogen 2.979 N/A ALA 89.A N ASN 85.A O no hydrogen 2.837 N/A ALA 90.A N ILE 86.A O no hydrogen 2.824 N/A ASP 91.A N ALA 87.A O no hydrogen 3.181 N/A ARG 92.A N ALA 89.A O no hydrogen 3.029 N/A ARG 92.A NH1 ASP 55.A OD2 no hydrogen 2.690 N/A TYR 93.A N ALA 89.A O no hydrogen 2.822 N/A TYR 93.A OH GLU 66.A OE1 no hydrogen 2.846 N/A LYS 96.A N TYR 93.A O no hydrogen 2.849 N/A LYS 96.A NZ LEU 65.A O no hydrogen 2.834 N/A LYS 96.A NZ GLU 66.A O no hydrogen 3.314 N/A LYS 96.A NZ LEU 68.A O no hydrogen 2.894 N/A ILE 97.A N VAL 94.A O no hydrogen 3.187 N/A ALA 98.A N VAL 74.A O no hydrogen 2.810 N/A GLY 100.A N LYS 199.A O no hydrogen 2.903 N/A VAL 101.A N ILE 76.A O no hydrogen 2.733 N/A PHE 102.A N VAL 201.A O no hydrogen 2.772 N/A HIS 103.A N GLY 78.A O no hydrogen 2.913 N/A HIS 103.A ND1 HIS 103.A O no hydrogen 2.742 N/A ASN 104.A N ILE 203.A O no hydrogen 2.962 N/A ASN 104.A ND2 ASP 235.A O no hydrogen 3.586 N/A ASN 104.A ND2 HIS 236.A O no hydrogen 3.047 N/A SER 105.A OG SER 80.A O no hydrogen 2.812 N/A SER 105.A OG LEU 106.A O no hydrogen 2.912 N/A LEU 106.A N SER 80.A O no hydrogen 2.756 N/A LEU 107.A N GLN 219.A OE1 no hydrogen 2.833 N/A THR 110.A OG1 GLU 192.A OE2 no hydrogen 2.781 N/A HIS 112.A N ASP 109.A OD1 no hydrogen 3.098 N/A HIS 112.A ND1 ASP 109.A OD2 no hydrogen 2.869 N/A SER 113.A OG SER 115.A OG no hydrogen 3.294 N/A SER 115.A N SER 113.A OG no hydrogen 3.152 N/A SER 115.A OG SER 113.A OG no hydrogen 3.294 N/A SER 115.A OG GLU 119.A OE1 no hydrogen 2.862 N/A TYR 116.A N SER 113.A O no hydrogen 2.694 N/A GLU 119.A N SER 115.A O no hydrogen 2.919 N/A LYS 120.A N TYR 116.A O no hydrogen 3.171 N/A LEU 121.A N THR 117.A O no hydrogen 2.883 N/A LEU 122.A N VAL 118.A O no hydrogen 2.923 N/A GLU 123.A N GLU 119.A O no hydrogen 3.046 N/A SER 124.A N LYS 120.A O no hydrogen 2.905 N/A PHE 125.A N LEU 121.A O no hydrogen 2.626 N/A TRP 128.A NE1 PHE 125.A O no hydrogen 2.831 N/A ARG 129.A N ASP 127.A OD2 no hydrogen 3.028 N/A ARG 129.A NE ASN 157.A OD1 no hydrogen 3.307 N/A ARG 129.A NH2 GLU 156.A OE1 no hydrogen 2.364 N/A ARG 129.A NH2 ASN 157.A OD1 no hydrogen 3.220 N/A THR 131.A N TRP 128.A O no hydrogen 3.147 N/A THR 131.A OG1 TRP 128.A O no hydrogen 2.890 N/A GLU 132.A N LYS 148.A O no hydrogen 3.122 N/A PHE 134.A N THR 146.A O no hydrogen 3.022 N/A PHE 136.A N ILE 144.A O no hydrogen 3.279 N/A ASN 138.A N GLU 142.A O no hydrogen 2.979 N/A ASN 138.A ND2 ASN 52.A O no hydrogen 3.062 N/A ILE 139.A N ASN 52.A OD1 no hydrogen 2.862 N/A THR 140.A N ASN 138.A OD1 no hydrogen 2.911 N/A THR 140.A OG1 ASN 138.A OD1 no hydrogen 3.556 N/A GLY 141.A N ASN 138.A O no hydrogen 2.999 N/A GLU 142.A N ASN 138.A OD1 no hydrogen 3.143 N/A ILE 144.A N PHE 136.A O no hydrogen 3.005 N/A THR 146.A N PHE 134.A O no hydrogen 2.842 N/A THR 146.A OG1 PHE 134.A O no hydrogen 3.567 N/A MET 147.A N GLY 177.A O no hydrogen 2.936 N/A LYS 148.A N GLU 132.A O no hydrogen 3.003 N/A GLY 150.A N THR 131.A OG1 no hydrogen 3.074 N/A VAL 152.A N ASP 130.A OD2 no hydrogen 3.032 N/A LEU 153.A N ASP 130.A OD1 no hydrogen 3.131 N/A LEU 154.A N GLY 150.A O no hydrogen 2.714 N/A ARG 155.A N PHE 151.A O no hydrogen 2.915 N/A ARG 155.A NH1 PHE 159.A O no hydrogen 2.793 N/A ARG 155.A NH1 CYS 162.A O no hydrogen 3.094 N/A GLU 156.A N VAL 152.A O no hydrogen 2.884 N/A ASN 157.A N LEU 153.A O no hydrogen 2.816 N/A ASN 157.A ND2 LYS 209.A O no hydrogen 3.011 N/A LEU 158.A N LEU 153.A O no hydrogen 3.201 N/A PHE 159.A N LEU 154.A O no hydrogen 2.775 N/A THR 160.A OG1 GLU 156.A O no hydrogen 2.768 N/A LYS 161.A N ASP 235.A OD2 no hydrogen 2.842 N/A CYS 162.A N PHE 159.A O no hydrogen 2.951 N/A CYS 162.A SG ASP 235.A OD2 no hydrogen 3.089 N/A GLU 166.A N THR 163.A O no hydrogen 3.262 N/A TYR 167.A N THR 163.A O no hydrogen 3.019 N/A TYR 167.A OH PHE 151.A O no hydrogen 2.772 N/A GLU 168.A N ASP 164.A O no hydrogen 2.685 N/A LEU 169.A N GLY 165.A O no hydrogen 3.087 N/A ALA 170.A N GLU 166.A O no hydrogen 2.966 N/A LYS 171.A N TYR 167.A O no hydrogen 3.133 N/A LYS 171.A NZ GLU 168.A OE1 no hydrogen 3.184 N/A LYS 171.A NZ GLU 168.A OE2 no hydrogen 3.257 N/A MET 172.A N GLU 168.A O no hydrogen 3.012 N/A VAL 173.A N LEU 169.A O no hydrogen 3.091 N/A MET 174.A N ALA 170.A O no hydrogen 2.957 N/A ARG 175.A N CYS 13.A O no hydrogen 2.978 N/A ARG 175.A NH1 GLY 42.A O no hydrogen 2.836 N/A ARG 175.A NH1 ASP 44.A O no hydrogen 2.830 N/A ARG 175.A NH2 ARG 46.A O no hydrogen 2.775 N/A GLY 177.A N MET 147.A O no hydrogen 3.039 N/A SER 178.A OG THR 145.A O no hydrogen 2.696 N/A PHE 180.A N SER 178.A OG no hydrogen 2.930 N/A ASN 182.A ND2 THR 143.A O no hydrogen 2.953 N/A LEU 184.A N PHE 180.A O no hydrogen 2.789 N/A ALA 185.A N GLN 181.A O no hydrogen 2.781 N/A GLN 186.A N VAL 183.A O no hydrogen 3.296 N/A ARG 187.A N LEU 184.A O no hydrogen 2.946 N/A ARG 187.A NE ASP 55.A OD1 no hydrogen 2.887 N/A ARG 187.A NE ASP 55.A OD2 no hydrogen 3.364 N/A ARG 187.A NH1 PRO 188.A O no hydrogen 3.108 N/A ARG 187.A NH2 ASP 55.A OD2 no hydrogen 2.768 N/A THR 191.A N ASP 91.A OD2 no hydrogen 2.822 N/A THR 191.A OG1 ASP 91.A OD1 no hydrogen 2.431 N/A GLY 194.A N THR 191.A OG1 no hydrogen 3.062 N/A TYR 195.A N ASP 91.A OD1 no hydrogen 2.852 N/A TYR 195.A OH PRO 108.A O no hydrogen 2.619 N/A GLY 196.A N THR 191.A O no hydrogen 2.829 N/A SER 197.A N GLY 194.A O no hydrogen 3.002 N/A SER 197.A OG LYS 193.A O no hydrogen 2.944 N/A SER 197.A OG GLY 194.A O no hydrogen 2.919 N/A ILE 198.A N TYR 195.A O no hydrogen 3.219 N/A LYS 200.A N ASP 226.A OD2 no hydrogen 2.704 N/A LYS 200.A NZ TYR 195.A O no hydrogen 2.624 N/A LYS 200.A NZ GLY 196.A O no hydrogen 3.112 N/A LYS 200.A NZ ILE 198.A O no hydrogen 2.910 N/A LYS 200.A NZ TYR 223.A OH no hydrogen 3.380 N/A VAL 201.A N GLY 100.A O no hydrogen 2.962 N/A TYR 202.A N LYS 227.A O no hydrogen 2.843 N/A TYR 202.A OH GLN 216.A OE1 no hydrogen 2.632 N/A ILE 203.A N PHE 102.A O no hydrogen 2.820 N/A TRP 204.A N TYR 229.A O no hydrogen 3.054 N/A THR 205.A N ASN 104.A OD1 no hydrogen 3.418 N/A THR 205.A OG1 VAL 231.A O no hydrogen 3.324 N/A THR 205.A OG1 GLY 233.A O no hydrogen 2.727 N/A GLN 207.A N THR 205.A OG1 no hydrogen 2.700 N/A GLN 207.A NE2 ASP 206.A OD2 no hydrogen 2.638 N/A ILE 210.A N ASP 208.A OD1 no hydrogen 2.824 N/A PHE 211.A N ASP 208.A OD1 no hydrogen 2.874 N/A GLN 216.A N LEU 212.A O no hydrogen 2.916 N/A GLN 216.A NE2 ASN 104.A OD1 no hydrogen 2.962 N/A GLN 216.A NE2 PHE 211.A O no hydrogen 2.891 N/A ARG 217.A N PRO 213.A O no hydrogen 2.843 N/A TRP 218.A N ASP 214.A O no hydrogen 2.991 N/A GLN 219.A N PHE 215.A O no hydrogen 2.908 N/A GLN 219.A NE2 SER 105.A O no hydrogen 2.809 N/A GLN 219.A NE2 TYR 202.A OH no hydrogen 3.173 N/A ILE 220.A N GLN 216.A O no hydrogen 3.120 N/A ALA 221.A N ARG 217.A O no hydrogen 2.794 N/A ASN 222.A N TRP 218.A O no hydrogen 2.852 N/A ASN 222.A ND2 ASP 109.A OD2 no hydrogen 2.761 N/A TYR 223.A N GLN 219.A O no hydrogen 3.232 N/A ASP 226.A N LYS 200.A O no hydrogen 2.942 N/A LYS 227.A NZ TYR 257.A OH no hydrogen 3.152 N/A TYR 229.A N TYR 202.A O no hydrogen 2.792 N/A VAL 231.A N TRP 204.A O no hydrogen 2.738 N/A ASP 235.A N THR 241.A OG1 no hydrogen 3.265 N/A HIS 236.A ND1 ASP 208.A OD2 no hydrogen 2.650 N/A HIS 236.A NE2 SER 80.A OG no hydrogen 2.401 N/A LYS 237.A N ASP 235.A OD1 no hydrogen 2.721 N/A LYS 237.A NZ HIS 14.A NE2 no hydrogen 3.041 N/A LYS 237.A NZ GLU 79.A OE1 no hydrogen 3.542 N/A LYS 237.A NZ GLU 79.A OE2 no hydrogen 2.728 N/A GLN 239.A N GLN 239.A OE1 no hydrogen 2.911 N/A GLN 239.A NE2 GLU 79.A OE2 no hydrogen 3.044 N/A LEU 240.A N LYS 237.A O no hydrogen 2.769 N/A THR 241.A N LYS 237.A O no hydrogen 2.967 N/A THR 241.A OG1 ASP 235.A OD1 no hydrogen 2.838 N/A THR 241.A OG1 LYS 237.A O no hydrogen 3.056 N/A LYS 242.A N LEU 238.A O no hydrogen 2.804 N/A LYS 242.A NZ GLN 232.A O no hydrogen 3.335 N/A THR 243.A OG1 GLN 239.A O no hydrogen 2.792 N/A THR 243.A OG1 LEU 240.A O no hydrogen 3.536 N/A GLU 245.A N GLU 245.A OE2 no hydrogen 2.874 N/A VAL 246.A N LYS 242.A O no hydrogen 2.872 N/A ALA 247.A N THR 243.A O no hydrogen 2.811 N/A HIS 248.A N GLU 244.A O no hydrogen 2.805 N/A ILE 249.A N GLU 245.A O no hydrogen 2.985 N/A LEU 250.A N VAL 246.A O no hydrogen 2.830 N/A GLN 251.A N ALA 247.A O no hydrogen 3.002 N/A GLN 251.A NE2 VAL 2.A O no hydrogen 3.098 N/A GLN 251.A NE2 ASP 255.A OD1 no hydrogen 2.996 N/A GLU 252.A N HIS 248.A O no hydrogen 3.098 N/A VAL 253.A N ILE 249.A O no hydrogen 2.821 N/A ALA 254.A N LEU 250.A O no hydrogen 2.857 N/A ASP 255.A N GLN 251.A O no hydrogen 2.775 N/A ALA 256.A N GLU 252.A O no hydrogen 2.938 N/A TYR 257.A N VAL 253.A O no hydrogen 2.903 N/A ALA 258.A N ALA 254.A O no hydrogen 2.849 N/A