Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N.A GLN 1.A OE1 no hydrogen 3.098 N/A ARG 2.A N.B GLN 1.A OE1 no hydrogen 3.223 N/A ASP 5.A N GLN 57.A OE1 no hydrogen 2.957 N/A LEU 6.A N PHE 3.A O.A no hydrogen 3.505 N/A VAL 7.A N THR 19.A O no hydrogen 2.979 N/A ARG 9.A N GLN 17.A O no hydrogen 2.966 N/A GLN 10.A NE2 ALA 12.A O no hydrogen 3.366 N/A GLN 10.A NE2 PRO 13.A O no hydrogen 3.196 N/A LEU 11.A N VAL 15.A O no hydrogen 2.704 N/A ALA 12.A N VAL 15.A O no hydrogen 3.029 N/A ASN 14.A ND2 ARG 38.A O no hydrogen 3.002 N/A VAL 15.A N ALA 12.A O no hydrogen 3.148 N/A TRP 16.A N ILE 36.A O no hydrogen 3.018 N/A GLN 17.A N ARG 9.A O no hydrogen 2.858 N/A HIS 18.A N GLY 34.A O no hydrogen 2.932 N/A HIS 18.A NE2 ASP 47.A O no hydrogen 3.065 N/A THR 19.A N VAL 7.A O no hydrogen 2.795 N/A THR 19.A OG1 ASN 33.A OD1 no hydrogen 2.740 N/A SER 20.A N SER 32.A O no hydrogen 3.015 N/A SER 20.A OG GLN 54.A OE1 no hydrogen 3.553 N/A LEU 22.A N VAL 30.A O no hydrogen 2.906 N/A PHE 27.A N MET 24.A O no hydrogen 2.985 N/A SER 32.A N SER 20.A O no hydrogen 2.909 N/A SER 32.A OG ASP 81.A O no hydrogen 3.211 N/A ASN 33.A N SER 206.A O no hydrogen 2.928 N/A ASN 33.A ND2 MET 205.A O no hydrogen 2.717 N/A ASN 33.A ND2 SER 208.A O no hydrogen 3.041 N/A GLY 34.A N HIS 18.A O no hydrogen 2.846 N/A LEU 35.A N VAL 46.A O no hydrogen 2.874 N/A ILE 36.A N TRP 16.A O no hydrogen 2.757 N/A VAL 37.A N LEU 44.A O no hydrogen 2.750 N/A ARG 38.A N ASN 14.A O no hydrogen 3.062 N/A ARG 38.A NH1 GLY 40.A O no hydrogen 3.291 N/A ASP 39.A N ARG 42.A O no hydrogen 2.742 N/A ARG 42.A N ASP 39.A O no hydrogen 3.347 N/A ARG 42.A NE ASP 39.A OD2 no hydrogen 2.805 N/A ARG 42.A NH1 ASN 133.A O no hydrogen 2.875 N/A ARG 42.A NH2 ASP 39.A OD2 no hydrogen 2.859 N/A ARG 42.A NH2 ASN 133.A O no hydrogen 2.973 N/A VAL 43.A N PRO 69.A O no hydrogen 3.007 N/A LEU 44.A N VAL 37.A O no hydrogen 2.701 N/A VAL 45.A N LEU 72.A O no hydrogen 3.279 N/A VAL 46.A N LEU 35.A O no hydrogen 2.784 N/A ASP 47.A N VAL 74.A O no hydrogen 2.787 N/A THR 48.A N LYS 82.A O no hydrogen 3.146 N/A THR 48.A OG1 ALA 49.A O no hydrogen 2.685 N/A ALA 49.A N THR 55.A OG1 no hydrogen 3.093 N/A GLN 54.A N THR 51.A OG1 no hydrogen 3.132 N/A GLN 54.A NE2 TYR 21.A O no hydrogen 2.949 N/A THR 55.A N THR 51.A O no hydrogen 2.897 N/A THR 55.A OG1 THR 51.A O no hydrogen 3.020 N/A ALA 56.A N ASP 52.A O no hydrogen 2.662 N/A GLN 57.A N ASP 53.A O no hydrogen 3.008 N/A GLN 57.A NE2 ASP 5.A OD2 no hydrogen 2.929 N/A GLN 57.A NE2 ASP 53.A O no hydrogen 3.574 N/A ILE 58.A N GLN 54.A O no hydrogen 3.210 N/A LEU 59.A N THR 55.A O no hydrogen 3.397 N/A ASN 60.A N ALA 56.A O no hydrogen 3.180 N/A ASN 60.A ND2 ARG 2.A O.B no hydrogen 3.105 N/A TRP 61.A N GLN 57.A O no hydrogen 2.955 N/A ILE 62.A N ILE 58.A O no hydrogen 3.151 N/A LYS 63.A N LEU 59.A O no hydrogen 2.990 N/A GLN 64.A N ASN 60.A O no hydrogen 2.830 N/A GLU 65.A N TRP 61.A O no hydrogen 2.796 N/A ILE 66.A N ILE 62.A O no hydrogen 2.738 N/A ASN 67.A N ILE 62.A O no hydrogen 2.731 N/A ALA 71.A N VAL 43.A O no hydrogen 3.062 N/A ALA 73.A N ALA 95.A O no hydrogen 3.020 N/A VAL 74.A N VAL 45.A O no hydrogen 2.983 N/A VAL 75.A N TYR 97.A O no hydrogen 2.900 N/A THR 76.A N ASP 47.A OD1 no hydrogen 2.993 N/A THR 76.A OG1 ASP 47.A OD1 no hydrogen 3.269 N/A THR 76.A OG1 ASP 47.A OD2 no hydrogen 2.993 N/A ALA 78.A N ASP 149.A OD1 no hydrogen 2.933 N/A GLN 80.A NE2 TRP 50.A O no hydrogen 3.587 N/A LYS 82.A NZ SER 32.A OG no hydrogen 3.133 N/A LYS 82.A NZ ASN 33.A O no hydrogen 3.298 N/A LYS 82.A NZ SER 206.A O no hydrogen 3.334 N/A LYS 82.A NZ SER 206.A OG no hydrogen 3.139 N/A MET 83.A N HIS 79.A O no hydrogen 3.127 N/A GLY 84.A N GLN 80.A O no hydrogen 3.116 N/A GLY 85.A N THR 48.A OG1 no hydrogen 3.062 N/A MET 86.A N MET 83.A O no hydrogen 2.974 N/A ALA 88.A N ASP 52.A OD1 no hydrogen 3.463 N/A LEU 89.A N GLY 85.A O no hydrogen 3.452 N/A HIS 90.A N MET 86.A O no hydrogen 3.217 N/A HIS 90.A ND1 ASP 87.A OD1 no hydrogen 3.101 N/A HIS 90.A NE2 THR 96.A OG1 no hydrogen 2.652 N/A ALA 91.A N ASP 87.A O no hydrogen 2.654 N/A ALA 92.A N ALA 88.A O no hydrogen 3.039 N/A ALA 92.A N LEU 89.A O no hydrogen 2.852 N/A GLY 93.A N HIS 90.A O no hydrogen 3.174 N/A ILE 94.A N LEU 89.A O no hydrogen 3.088 N/A THR 96.A OG1 HIS 90.A NE2 no hydrogen 2.652 N/A TYR 97.A N ALA 73.A O no hydrogen 2.830 N/A ALA 98.A N HIS 116.A O no hydrogen 3.113 N/A ASN 99.A ND2 ASP 149.A O no hydrogen 3.099 N/A ALA 100.A N LEU 118.A O no hydrogen 3.138 N/A SER 102.A OG ASP 149.A OD1 no hydrogen 2.310 N/A ASN 103.A N ASN 99.A O no hydrogen 3.156 N/A ASN 103.A ND2 HIS 116.A O no hydrogen 3.250 N/A ASN 103.A ND2 SER 117.A OG no hydrogen 2.750 N/A GLN 104.A N ALA 100.A O no hydrogen 3.090 N/A LEU 105.A N LEU 101.A O no hydrogen 2.907 N/A GLN 108.A NE2 GLN 104.A O no hydrogen 2.979 N/A GLU 109.A N LEU 105.A O no hydrogen 3.244 N/A GLU 109.A N ALA 106.A O no hydrogen 2.931 N/A GLY 110.A N PRO 107.A O no hydrogen 2.809 N/A MET 111.A N ALA 106.A O no hydrogen 2.841 N/A ALA 114.A N ASN 103.A OD1 no hydrogen 3.063 N/A GLN 115.A N THR 96.A OG1 no hydrogen 2.985 N/A HIS 116.A N THR 96.A O no hydrogen 3.065 N/A LEU 118.A N ALA 98.A O no hydrogen 2.663 N/A THR 119.A N THR 130.A OG1 no hydrogen 3.363 N/A ALA 121.A N TRP 125.A O no hydrogen 2.680 N/A GLY 124.A N ALA 121.A O no hydrogen 2.985 N/A VAL 126.A N VAL 139.A O no hydrogen 3.346 N/A GLU 127.A N THR 119.A O no hydrogen 2.893 N/A THR 130.A N GLU 127.A O no hydrogen 2.827 N/A THR 130.A OG1 GLU 127.A O no hydrogen 3.026 N/A LEU 137.A N PHE 134.A O no hydrogen 3.027 N/A LYS 138.A N GLY 154.A O no hydrogen 2.888 N/A PHE 140.A N THR 152.A O no hydrogen 2.710 N/A TYR 141.A N GLY 124.A O no hydrogen 2.813 N/A TYR 141.A OH SER 148.A O no hydrogen 3.042 N/A GLY 145.A N THR 147.A O no hydrogen 3.197 N/A THR 147.A OG1 ASP 149.A OD2 no hydrogen 2.789 N/A ASN 150.A N THR 147.A OG1 no hydrogen 3.088 N/A ASN 150.A ND2 GLY 143.A O no hydrogen 3.026 N/A ASN 150.A ND2 ASN 150.A O no hydrogen 2.329 N/A ILE 151.A N THR 76.A O no hydrogen 2.758 N/A THR 152.A N PHE 140.A O no hydrogen 3.030 N/A THR 152.A OG1 PHE 140.A O no hydrogen 3.065 N/A VAL 153.A N PHE 162.A O no hydrogen 3.333 N/A GLY 154.A N LYS 138.A O no hydrogen 2.485 N/A ILE 155.A N ILE 160.A O no hydrogen 2.878 N/A ASP 156.A N PRO 136.A O no hydrogen 2.702 N/A THR 158.A N ILE 155.A O no hydrogen 3.095 N/A THR 158.A OG1 ILE 155.A O no hydrogen 2.819 N/A ILE 160.A N THR 158.A OG1 no hydrogen 3.029 N/A ALA 161.A N MET 202.A O no hydrogen 3.135 N/A PHE 162.A N VAL 153.A O no hydrogen 2.797 N/A GLY 163.A N VAL 204.A O no hydrogen 3.391 N/A CYS 165.A SG.A SER 206.A OG no hydrogen 2.905 N/A CYS 165.A SG.A HIS 207.A NE2 no hydrogen 3.963 N/A LEU 166.A N GLY 163.A O no hydrogen 3.274 N/A LYS 168.A N THR 219.A OG1 no hydrogen 2.970 N/A LYS 168.A NZ CYS 165.A O.A no hydrogen 2.700 N/A LYS 168.A NZ CYS 165.A O.B no hydrogen 2.688 N/A SER 170.A N ASP 211.A OD1 no hydrogen 3.318 N/A SER 170.A OG ASP 211.A OD1 no hydrogen 3.102 N/A ALA 172.A N ASP 169.A O no hydrogen 2.713 N/A ALA 181.A N LEU 178.A O no hydrogen 3.382 N/A ASP 182.A N GLY 145.A O no hydrogen 2.920 N/A GLU 184.A N ASP 182.A OD1 no hydrogen 3.270 N/A HIS 185.A N ASP 182.A O no hydrogen 3.035 N/A HIS 185.A N ASP 182.A OD1 no hydrogen 3.374 N/A TYR 186.A N ASP 182.A O no hydrogen 3.097 N/A TYR 186.A OH LEU 166.A O no hydrogen 2.581 N/A SER 189.A N HIS 185.A O no hydrogen 2.975 N/A SER 189.A OG PRO 142.A O no hydrogen 3.509 N/A SER 189.A OG PRO 144.A O no hydrogen 2.992 N/A SER 189.A OG HIS 185.A O no hydrogen 3.230 N/A ALA 190.A N TYR 186.A O no hydrogen 3.112 N/A ARG 191.A N ALA 187.A O no hydrogen 3.178 N/A ARG 191.A NH1 ASP 224.A OD2 no hydrogen 2.908 N/A ARG 191.A NH2 ASP 224.A OD1 no hydrogen 2.743 N/A ARG 191.A NH2 ASP 224.A OD2 no hydrogen 3.273 N/A ALA 192.A N ALA 188.A O no hydrogen 2.811 N/A PHE 193.A N SER 189.A O no hydrogen 3.052 N/A GLY 194.A N ALA 190.A O no hydrogen 3.317 N/A ALA 195.A N ARG 191.A O no hydrogen 3.215 N/A ALA 196.A N ALA 192.A O no hydrogen 2.810 N/A PHE 197.A N PHE 193.A O no hydrogen 3.009 N/A ALA 200.A N PHE 197.A O no hydrogen 3.387 N/A SER 201.A N ASP 159.A O no hydrogen 2.891 N/A MET 202.A N ASP 159.A O no hydrogen 3.118 N/A ILE 203.A N ASP 211.A O no hydrogen 2.645 N/A VAL 204.A N ALA 161.A O no hydrogen 3.075 N/A HIS 207.A ND1 ALA 31.A O no hydrogen 2.680 N/A SER 208.A OG ASP 169.A OD1 no hydrogen 3.093 N/A ASP 211.A N ILE 203.A O no hydrogen 3.083 N/A SER 212.A N ASP 211.A OD2 no hydrogen 2.601 N/A SER 212.A OG ASP 211.A OD2 no hydrogen 3.492 N/A ARG 213.A NH1 PHE 197.A O no hydrogen 2.610 N/A ARG 213.A NH1 ALA 200.A O no hydrogen 2.796 N/A ARG 213.A NH2 GLY 194.A O no hydrogen 2.827 N/A ARG 213.A NH2 PHE 197.A O no hydrogen 3.516 N/A ALA 215.A N SER 212.A O no hydrogen 3.300 N/A THR 217.A N ARG 213.A O no hydrogen 3.312 N/A HIS 218.A N ALA 214.A O no hydrogen 2.741 N/A HIS 218.A ND1 ASP 169.A O no hydrogen 3.155 N/A THR 219.A N ALA 215.A O no hydrogen 2.915 N/A THR 219.A OG1 ALA 215.A O no hydrogen 2.972 N/A ALA 220.A N ILE 216.A O no hydrogen 3.112 N/A ARG 221.A N THR 217.A O no hydrogen 3.114 N/A MET 222.A N HIS 218.A O no hydrogen 3.099 N/A ALA 223.A N THR 219.A O no hydrogen 2.867 N/A ASP 224.A N ALA 220.A O no hydrogen 2.909 N/A LYS 225.A N MET 222.A O no hydrogen 3.127 N/A LEU 226.A N ALA 223.A O no hydrogen 2.961 N/A ARG 227.A NE GLU 184.A O no hydrogen 2.860 N/A