Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qq1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 189.A O no hydrogen 2.770 N/A ILE 3.A N LEU 10.A O no hydrogen 2.893 N/A ILE 5.A N ILE 8.A O no hydrogen 3.038 N/A ILE 8.A N ILE 5.A O no hydrogen 2.895 N/A LEU 10.A N ILE 3.A O no hydrogen 3.062 N/A ASN 12.A ND2 ASN 189.A OD1 no hydrogen 3.156 N/A ASN 12.A ND2 LEU 190.A O no hydrogen 2.754 N/A SER 14.A N GLY 11.A O no hydrogen 2.874 N/A PHE 16.A N ASP 240.A OD2 no hydrogen 2.913 N/A VAL 17.A N ALA 220.A O no hydrogen 3.174 N/A LEU 18.A N PRO 48.A O no hydrogen 2.950 N/A PHE 19.A N LEU 222.A O no hydrogen 2.869 N/A GLY 20.A N ILE 50.A O no hydrogen 3.083 N/A LEU 25.A N SER 54.A O no hydrogen 2.768 N/A SER 27.A OG SER 30.A OG no hydrogen 3.297 N/A SER 30.A OG SER 27.A OG no hydrogen 3.297 N/A THR 31.A N SER 27.A O no hydrogen 3.156 N/A THR 31.A OG1 SER 27.A O no hydrogen 3.034 N/A LEU 32.A N LEU 28.A O no hydrogen 3.044 N/A GLN 33.A N ASP 29.A O no hydrogen 3.190 N/A THR 34.A N SER 30.A O no hydrogen 3.209 N/A THR 34.A OG1 SER 30.A O no hydrogen 2.931 N/A CYS 35.A N THR 31.A O no hydrogen 3.002 N/A ALA 36.A N LEU 32.A O no hydrogen 2.995 N/A HIS 37.A N GLN 33.A O no hydrogen 3.148 N/A TYR 38.A N THR 34.A O no hydrogen 3.111 N/A TYR 38.A OH GLY 21.A O no hydrogen 3.309 N/A TYR 38.A OH LEU 224.A O no hydrogen 3.065 N/A VAL 39.A N CYS 35.A O no hydrogen 2.897 N/A GLU 40.A N ALA 36.A O no hydrogen 2.838 N/A VAL 41.A N HIS 37.A O no hydrogen 2.990 N/A THR 42.A N TYR 38.A O no hydrogen 2.992 N/A THR 42.A OG1 TYR 38.A O no hydrogen 2.705 N/A THR 42.A OG1 VAL 39.A O no hydrogen 3.373 N/A ARG 43.A N VAL 39.A O no hydrogen 2.985 N/A LYS 44.A N GLU 40.A O no hydrogen 3.440 N/A LYS 44.A NZ GLU 230.A OE1 no hydrogen 2.841 N/A LEU 45.A N VAL 41.A O no hydrogen 3.235 N/A LEU 45.A N THR 42.A O no hydrogen 3.288 N/A GLY 46.A N ARG 43.A O no hydrogen 3.144 N/A ILE 47.A N THR 42.A O no hydrogen 2.832 N/A TYR 49.A OH GLY 20.A O no hydrogen 2.639 N/A ILE 50.A N LEU 18.A O no hydrogen 2.868 N/A PHE 51.A N PRO 87.A O no hydrogen 3.281 N/A LYS 52.A N GLY 20.A O no hydrogen 2.944 N/A LYS 52.A NZ SER 54.A OG no hydrogen 2.990 N/A ALA 53.A N ILE 89.A O no hydrogen 3.330 N/A SER 54.A N ASN 23.A O no hydrogen 3.408 N/A SER 54.A OG ASN 23.A O no hydrogen 3.294 N/A SER 54.A OG ASP 91.A OD1 no hydrogen 3.098 N/A SER 61.A OG SER 64.A OG no hydrogen 3.057 N/A SER 64.A OG SER 61.A OG no hydrogen 3.057 N/A SER 64.A OG HIS 63.A O no hydrogen 2.467 N/A VAL 68.A N LEU 25.A O no hydrogen 3.347 N/A GLY 69.A N PHE 55.A O no hydrogen 3.208 N/A GLY 73.A N GLY 69.A O no hydrogen 2.803 N/A LEU 74.A N LEU 70.A O no hydrogen 3.216 N/A LYS 75.A N GLU 72.A O no hydrogen 3.142 N/A ILE 76.A N GLU 72.A O no hydrogen 3.215 N/A PHE 77.A N GLY 73.A O no hydrogen 3.076 N/A GLU 78.A N LEU 74.A O no hydrogen 2.880 N/A LYS 79.A N LYS 75.A O no hydrogen 3.187 N/A VAL 80.A N ILE 76.A O no hydrogen 2.839 N/A LYS 81.A N PHE 77.A O no hydrogen 2.922 N/A LYS 81.A NZ ASP 106.A OD1 no hydrogen 2.864 N/A LYS 81.A NZ ASP 106.A OD2 no hydrogen 3.210 N/A ALA 82.A N GLU 78.A O no hydrogen 2.948 N/A GLU 83.A N LYS 79.A O no hydrogen 2.927 N/A PHE 84.A N VAL 80.A O no hydrogen 3.062 N/A GLY 85.A N LYS 81.A O no hydrogen 2.799 N/A VAL 88.A N ASP 106.A OD1 no hydrogen 2.941 N/A ILE 89.A N PHE 51.A O no hydrogen 2.924 N/A THR 90.A N VAL 107.A O no hydrogen 3.250 N/A THR 90.A OG1 ALA 53.A O no hydrogen 2.565 N/A THR 90.A OG1 ASP 91.A OD1 no hydrogen 3.399 N/A ASP 91.A N ASP 91.A OD1 no hydrogen 2.500 N/A VAL 92.A N GLN 109.A O no hydrogen 3.062 N/A HIS 93.A N GLN 97.A OE1 no hydrogen 2.728 N/A GLU 94.A N GLN 97.A OE1 no hydrogen 2.987 N/A GLN 97.A N GLU 94.A O no hydrogen 2.898 N/A CYS 98.A SG GLU 94.A O no hydrogen 3.944 N/A CYS 98.A SG PRO 95.A O no hydrogen 3.530 N/A GLN 99.A NE2 GLU 103.A OE2 no hydrogen 3.094 N/A VAL 101.A N GLN 97.A O no hydrogen 3.152 N/A ALA 102.A N CYS 98.A O no hydrogen 2.802 N/A GLU 103.A N GLN 99.A O no hydrogen 3.077 N/A GLU 103.A N PRO 100.A O no hydrogen 3.335 N/A VAL 104.A N VAL 101.A O no hydrogen 2.871 N/A CYS 105.A N VAL 101.A O no hydrogen 2.763 N/A ASP 106.A N VAL 88.A O no hydrogen 3.201 N/A VAL 107.A N VAL 88.A O no hydrogen 3.094 N/A ILE 108.A N VAL 130.A O no hydrogen 2.977 N/A GLN 109.A N THR 90.A O no hydrogen 2.753 N/A LEU 110.A N ASN 132.A O no hydrogen 2.847 N/A LEU 114.A N PRO 111.A O no hydrogen 3.001 N/A ALA 115.A N ALA 112.A O no hydrogen 3.343 N/A GLN 117.A N LEU 114.A O no hydrogen 2.935 N/A VAL 121.A N GLN 117.A O no hydrogen 3.294 N/A VAL 122.A N THR 118.A O no hydrogen 3.031 N/A ALA 123.A N ASP 119.A O no hydrogen 3.006 N/A MET 124.A N LEU 120.A O no hydrogen 2.735 N/A ALA 125.A N VAL 121.A O no hydrogen 2.867 N/A LYS 126.A N VAL 122.A O no hydrogen 3.000 N/A THR 127.A N MET 124.A O no hydrogen 3.355 N/A THR 127.A OG1 MET 124.A O no hydrogen 2.553 N/A GLY 128.A N ALA 125.A O no hydrogen 3.331 N/A ASN 129.A N THR 127.A OG1 no hydrogen 3.274 N/A ASN 129.A ND2 ALA 102.A O no hydrogen 2.975 N/A ASN 129.A ND2 CYS 105.A O no hydrogen 2.804 N/A VAL 131.A N LYS 158.A O no hydrogen 3.032 N/A ASN 132.A N ILE 108.A O no hydrogen 2.915 N/A ASN 132.A ND2 GLN 109.A OE1 no hydrogen 2.702 N/A ILE 133.A N ILE 160.A O no hydrogen 2.817 N/A LYS 134.A N LEU 110.A O no hydrogen 3.383 N/A LYS 134.A NZ ASP 195.A OD2 no hydrogen 3.104 N/A LYS 134.A NZ HIS 198.A ND1 no hydrogen 3.514 N/A LYS 135.A N CYS 162.A O no hydrogen 2.680 N/A LYS 135.A NZ GLU 163.A OE1 no hydrogen 2.811 N/A LYS 135.A NZ GLU 163.A OE2 no hydrogen 3.413 N/A GLN 137.A NE2 SER 167.A OG no hydrogen 2.973 N/A LEU 139.A N PRO 136.A O no hydrogen 3.230 N/A SER 140.A OG SER 142.A OG no hydrogen 3.232 N/A SER 142.A OG SER 140.A OG no hydrogen 3.232 N/A GLN 143.A N SER 140.A O no hydrogen 2.727 N/A MET 144.A N PRO 141.A O no hydrogen 3.127 N/A LYS 145.A NZ ASN 146.A OD1 no hydrogen 3.410 N/A VAL 148.A N MET 144.A O no hydrogen 3.118 N/A GLU 149.A N LYS 145.A O no hydrogen 2.820 N/A LYS 150.A N ASN 146.A O no hydrogen 3.063 N/A PHE 151.A N ILE 147.A O no hydrogen 3.082 N/A HIS 152.A N VAL 148.A O no hydrogen 2.970 N/A GLU 153.A N GLU 149.A O no hydrogen 3.065 N/A ALA 154.A N LYS 150.A O no hydrogen 3.074 N/A GLY 155.A N HIS 152.A O no hydrogen 3.165 N/A ASN 156.A N PHE 151.A O no hydrogen 3.030 N/A ASN 156.A ND2 ALA 125.A O no hydrogen 3.336 N/A ASN 156.A ND2 ASN 129.A O no hydrogen 3.023 N/A LYS 158.A N ASN 156.A OD1 no hydrogen 3.064 N/A ILE 160.A N VAL 131.A O no hydrogen 2.795 N/A LEU 161.A N PRO 191.A O no hydrogen 2.909 N/A CYS 162.A N ILE 133.A O no hydrogen 2.706 N/A CYS 162.A SG ILE 193.A O no hydrogen 4.018 N/A GLU 163.A N ILE 193.A O no hydrogen 3.129 N/A ARG 164.A NH1 ARG 164.A O no hydrogen 3.079 N/A GLY 165.A N GLU 163.A OE2 no hydrogen 3.028 N/A SER 166.A N VAL 174.A O no hydrogen 2.703 N/A SER 167.A N GLN 137.A O no hydrogen 2.702 N/A PHE 168.A N ASN 172.A O no hydrogen 3.036 N/A LEU 173.A N ASN 172.A OD1 no hydrogen 3.060 N/A VAL 174.A N SER 166.A O no hydrogen 2.982 N/A LEU 178.A N ASP 176.A OD1 no hydrogen 3.185 N/A GLY 179.A N ASP 176.A O no hydrogen 2.849 N/A VAL 182.A N LEU 178.A O no hydrogen 3.143 N/A MET 183.A N GLY 179.A O no hydrogen 2.784 N/A LYS 184.A N PHE 180.A O no hydrogen 2.847 N/A LYS 184.A NZ THR 217.A O no hydrogen 3.225 N/A LYS 184.A NZ ARG 218.A O no hydrogen 2.891 N/A GLN 185.A N GLY 181.A O no hydrogen 2.808 N/A THR 186.A N VAL 182.A O no hydrogen 3.007 N/A THR 186.A OG1 VAL 182.A O no hydrogen 2.903 N/A CYS 187.A N MET 183.A O no hydrogen 3.087 N/A CYS 187.A SG MET 183.A O no hydrogen 3.488 N/A CYS 187.A SG THR 186.A OG1 no hydrogen 3.595 N/A ASN 189.A N LYS 184.A O no hydrogen 2.937 N/A VAL 192.A N ASN 12.A OD1 no hydrogen 2.793 N/A ILE 193.A N LEU 161.A O no hydrogen 2.912 N/A PHE 194.A N GLY 221.A O no hydrogen 3.273 N/A ASP 195.A N GLU 163.A O no hydrogen 3.000 N/A HIS 198.A N ASP 195.A OD1 no hydrogen 3.099 N/A HIS 198.A ND1 ASP 195.A OD2 no hydrogen 2.475 N/A SER 199.A N ASP 195.A O no hydrogen 3.136 N/A SER 199.A OG ASP 195.A O no hydrogen 2.754 N/A LEU 200.A N THR 197.A O no hydrogen 3.400 N/A GLN 206.A N ARG 203.A O no hydrogen 2.418 N/A ALA 207.A N ARG 203.A O no hydrogen 3.204 N/A ASP 209.A N ALA 205.A O no hydrogen 3.294 N/A LEU 210.A N GLN 206.A O no hydrogen 3.152 N/A ALA 211.A N ALA 207.A O no hydrogen 2.951 N/A LEU 212.A N LEU 208.A O no hydrogen 2.804 N/A ALA 213.A N ASP 209.A O no hydrogen 3.100 N/A GLY 214.A N LEU 210.A O no hydrogen 2.938 N/A MET 215.A N ALA 211.A O no hydrogen 2.813 N/A ALA 216.A N LEU 212.A O no hydrogen 3.034 N/A THR 217.A N GLY 214.A O no hydrogen 3.012 N/A THR 217.A OG1 GLY 214.A O no hydrogen 2.738 N/A ARG 218.A N MET 215.A O no hydrogen 3.026 N/A ARG 218.A NE ASN 13.A OD1 no hydrogen 3.395 N/A ARG 218.A NH1 GLN 246.A O no hydrogen 3.218 N/A ARG 218.A NH2 ASN 13.A OD1 no hydrogen 3.121 N/A ARG 218.A NH2 GLN 246.A O no hydrogen 2.400 N/A ALA 220.A N VAL 192.A O no hydrogen 2.828 N/A LEU 222.A N VAL 17.A O no hydrogen 2.889 N/A PHE 223.A N PHE 194.A O no hydrogen 2.854 N/A LEU 224.A N PHE 19.A O no hydrogen 2.998 N/A GLU 225.A N THR 197.A OG1 no hydrogen 2.835 N/A ASP 231.A N HIS 227.A O no hydrogen 3.294 N/A PHE 232.A N LEU 228.A O no hydrogen 3.113 N/A LEU 233.A N LEU 229.A O no hydrogen 2.981 N/A ILE 234.A N GLU 230.A O no hydrogen 2.952 N/A ILE 236.A N PHE 232.A O no hydrogen 3.007 N/A LYS 237.A N LEU 233.A O no hydrogen 2.868 N/A ALA 238.A N ILE 234.A O no hydrogen 3.155 N/A LEU 239.A N ARG 235.A O no hydrogen 3.045 N/A ASP 240.A N ILE 236.A O no hydrogen 2.806 N/A ASP 241.A N LYS 237.A O no hydrogen 2.755 N/A LEU 242.A N ALA 238.A O no hydrogen 3.181 N/A ILE 243.A N LEU 239.A O no hydrogen 2.939 N/A LYS 244.A N ASP 240.A O no hydrogen 2.879 N/A LYS 244.A NZ SER 14.A O no hydrogen 2.666 N/A LYS 244.A NZ LEU 219.A O no hydrogen 2.751 N/A LYS 244.A NZ ASP 240.A OD1 no hydrogen 2.562 N/A LYS 244.A NZ ASP 240.A OD2 no hydrogen 3.481 N/A SER 245.A N LEU 242.A O no hydrogen 3.307 N/A SER 245.A OG LEU 242.A O no hydrogen 3.037 N/A GLN 246.A N ILE 243.A O no hydrogen 3.361 N/A