Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASN 178.A OD1 no hydrogen 2.776 N/A SER 5.A OG ASN 178.A OD1 no hydrogen 3.232 N/A ALA 7.A N ASP 3.A O no hydrogen 2.684 N/A LEU 8.A N LEU 4.A O no hydrogen 2.672 N/A LYS 9.A N SER 5.A O no hydrogen 3.107 N/A GLU 10.A N GLU 6.A O no hydrogen 3.188 N/A ALA 11.A N ALA 7.A O no hydrogen 3.071 N/A THR 12.A N LEU 8.A O no hydrogen 2.946 N/A THR 12.A OG1 LEU 8.A O no hydrogen 2.923 N/A THR 12.A OG1 LYS 9.A O no hydrogen 3.507 N/A LYS 13.A N GLU 10.A O no hydrogen 3.503 N/A HIS 16.A N THR 12.A O no hydrogen 2.949 N/A HIS 16.A ND1 GLU 20.A OE2 no hydrogen 2.761 N/A THR 17.A N LYS 13.A O no hydrogen 3.115 N/A THR 17.A OG1 LYS 13.A O no hydrogen 3.216 N/A GLN 18.A N GLU 14.A O no hydrogen 3.008 N/A ALA 19.A N VAL 15.A O no hydrogen 2.782 N/A GLU 20.A N HIS 16.A O no hydrogen 2.911 N/A ASN 21.A N THR 17.A O no hydrogen 2.798 N/A ALA 22.A N ALA 19.A O no hydrogen 3.327 N/A ARG 26.A N ALA 22.A O no hydrogen 2.678 N/A ARG 26.A NH1 ASN 21.A O no hydrogen 2.601 N/A ASN 27.A N GLU 23.A O no hydrogen 3.029 N/A PHE 28.A N PHE 24.A O no hydrogen 3.155 N/A GLN 29.A N MET 25.A O no hydrogen 2.965 N/A GLN 29.A NE2 GLU 20.A O no hydrogen 2.868 N/A GLN 29.A NE2 MET 25.A O no hydrogen 3.310 N/A LYS 30.A N ARG 26.A O no hydrogen 2.882 N/A GLY 31.A N PHE 28.A O no hydrogen 3.041 N/A GLN 32.A N ASN 27.A O no hydrogen 2.658 N/A GLY 37.A N THR 34.A OG1 no hydrogen 3.082 N/A PHE 38.A N THR 34.A O no hydrogen 2.830 N/A LYS 39.A N ARG 35.A O no hydrogen 2.909 N/A LEU 40.A N ASP 36.A O no hydrogen 3.175 N/A VAL 41.A N GLY 37.A O no hydrogen 3.134 N/A MET 42.A N PHE 38.A O no hydrogen 3.005 N/A ALA 43.A N LYS 39.A O no hydrogen 2.988 N/A SER 44.A N LEU 40.A O no hydrogen 3.071 N/A SER 44.A OG LEU 40.A O no hydrogen 2.967 N/A LEU 45.A N VAL 41.A O no hydrogen 3.045 N/A TYR 46.A N MET 42.A O no hydrogen 2.982 N/A HIS 47.A N ALA 43.A O no hydrogen 3.211 N/A ILE 48.A N SER 44.A O no hydrogen 2.919 N/A TYR 49.A N LEU 45.A O no hydrogen 2.873 N/A TYR 49.A OH ASP 131.A OD2 no hydrogen 2.522 N/A VAL 50.A N TYR 46.A O no hydrogen 2.991 N/A ALA 51.A N HIS 47.A O no hydrogen 3.220 N/A LEU 52.A N ILE 48.A O no hydrogen 2.933 N/A GLU 53.A N TYR 49.A O no hydrogen 2.908 N/A GLU 54.A N VAL 50.A O no hydrogen 3.026 N/A GLU 55.A N ALA 51.A O no hydrogen 3.085 N/A ILE 56.A N LEU 52.A O no hydrogen 2.908 N/A GLU 57.A N GLU 53.A O no hydrogen 3.230 N/A ARG 58.A N GLU 54.A O no hydrogen 3.244 N/A ARG 58.A NE GLU 55.A OE1 no hydrogen 3.009 N/A ARG 58.A NH2 GLU 55.A OE2 no hydrogen 3.483 N/A ASN 59.A N GLU 55.A O no hydrogen 3.190 N/A ASN 59.A N ILE 56.A O no hydrogen 3.101 N/A ASN 59.A ND2 GLU 55.A O no hydrogen 2.737 N/A ASN 59.A ND2 GLY 113.A O no hydrogen 2.952 N/A LYS 60.A NZ GLU 57.A OE1 no hydrogen 2.835 N/A LYS 60.A NZ TYR 69.A OH no hydrogen 3.443 N/A SER 62.A N ASN 59.A O no hydrogen 3.055 N/A VAL 64.A N SER 62.A OG no hydrogen 3.318 N/A PHE 65.A N SER 62.A O no hydrogen 3.039 N/A ALA 66.A N SER 62.A O no hydrogen 2.680 N/A VAL 68.A N PHE 65.A O no hydrogen 2.733 N/A TYR 69.A N ALA 66.A O no hydrogen 3.112 N/A TYR 69.A OH GLU 57.A OE1 no hydrogen 3.425 N/A TYR 69.A OH GLU 57.A OE2 no hydrogen 2.597 N/A LEU 74.A N PHE 70.A O no hydrogen 3.070 N/A HIS 75.A N PRO 71.A O no hydrogen 3.094 N/A HIS 75.A ND1 PRO 71.A O no hydrogen 2.941 N/A ARG 76.A N GLU 53.A OE2 no hydrogen 2.843 N/A ARG 76.A NE HIS 75.A O no hydrogen 2.851 N/A ARG 76.A NH1 ALA 156.A O no hydrogen 3.244 N/A ARG 76.A NH1 PHE 157.A O no hydrogen 2.785 N/A ARG 76.A NH1 THR 159.A O no hydrogen 2.856 N/A ARG 76.A NH2 HIS 75.A O no hydrogen 3.210 N/A ARG 76.A NH2 THR 159.A O no hydrogen 3.239 N/A LYS 77.A N GLU 53.A OE1 no hydrogen 3.079 N/A LEU 80.A N ARG 76.A O no hydrogen 2.927 N/A GLU 81.A N LYS 77.A O no hydrogen 2.924 N/A GLN 82.A N ALA 78.A O no hydrogen 3.065 N/A ASP 83.A N ALA 79.A O no hydrogen 2.951 N/A LEU 84.A N LEU 80.A O no hydrogen 2.728 N/A ALA 85.A N GLU 81.A O no hydrogen 3.085 N/A PHE 86.A N ASP 83.A O no hydrogen 2.895 N/A TRP 87.A N ASP 83.A O no hydrogen 2.971 N/A TRP 87.A NE1 GLY 154.A O no hydrogen 2.776 N/A TYR 88.A N LEU 84.A O no hydrogen 2.802 N/A ARG 91.A NE GLU 94.A OE2 no hydrogen 2.775 N/A ARG 91.A NH2 GLU 94.A OE1 no hydrogen 2.686 N/A ARG 91.A NH2 GLU 94.A OE2 no hydrogen 3.408 N/A TRP 92.A N GLY 89.A O no hydrogen 3.025 N/A GLU 94.A N ARG 91.A O no hydrogen 2.797 N/A VAL 95.A N ARG 91.A O no hydrogen 3.319 N/A VAL 95.A N TRP 92.A O no hydrogen 3.114 N/A ILE 96.A N TRP 92.A O no hydrogen 2.801 N/A THR 99.A OG1 GLU 207.A OE1 no hydrogen 2.528 N/A THR 99.A OG1 GLU 207.A OE2 no hydrogen 3.447 N/A ALA 101.A N GLU 207.A OE2 no hydrogen 3.001 N/A MET 102.A N THR 99.A OG1 no hydrogen 3.346 N/A GLN 103.A N THR 99.A O no hydrogen 2.850 N/A ARG 104.A N PRO 100.A O no hydrogen 2.924 N/A TYR 105.A N ALA 101.A O no hydrogen 3.360 N/A VAL 106.A N MET 102.A O no hydrogen 2.917 N/A LYS 107.A N GLN 103.A O no hydrogen 2.832 N/A ARG 108.A N ARG 104.A O no hydrogen 3.174 N/A ARG 108.A NE GLU 193.A OE2 no hydrogen 2.985 N/A ARG 108.A NH1 GLU 116.A OE2 no hydrogen 3.206 N/A ARG 108.A NH1 GLU 193.A OE1 no hydrogen 2.654 N/A ARG 108.A NH2 GLU 111.A OE1 no hydrogen 3.455 N/A ARG 108.A NH2 GLU 116.A OE2 no hydrogen 3.038 N/A LEU 109.A N TYR 105.A O no hydrogen 3.086 N/A HIS 110.A N VAL 106.A O no hydrogen 3.106 N/A HIS 110.A ND1 GLU 55.A OE2 no hydrogen 2.630 N/A GLU 111.A N LYS 107.A O no hydrogen 3.105 N/A VAL 112.A N ARG 108.A O no hydrogen 2.955 N/A GLY 113.A N LEU 109.A O no hydrogen 3.001 N/A ARG 114.A N GLU 111.A O no hydrogen 3.102 N/A THR 115.A N GLU 111.A O no hydrogen 2.697 N/A THR 115.A OG1 GLU 111.A O no hydrogen 3.042 N/A GLU 116.A N VAL 112.A O no hydrogen 2.797 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.532 N/A LEU 119.A N GLU 116.A O no hydrogen 2.804 N/A LEU 120.A N PRO 117.A O no hydrogen 2.845 N/A ALA 122.A N LEU 119.A O no hydrogen 2.916 N/A HIS 123.A N LEU 120.A O no hydrogen 2.924 N/A HIS 123.A NE2 GLU 193.A OE2 no hydrogen 2.724 N/A ALA 124.A N LEU 120.A O no hydrogen 2.958 N/A TYR 125.A N VAL 121.A O no hydrogen 2.907 N/A THR 126.A N ALA 122.A O no hydrogen 3.174 N/A THR 126.A OG1 ALA 122.A O no hydrogen 2.913 N/A ARG 127.A N HIS 123.A O no hydrogen 2.895 N/A ARG 127.A NE ASP 131.A OD2 no hydrogen 2.969 N/A ARG 127.A NH1 TYR 105.A OH no hydrogen 3.075 N/A ARG 127.A NH1 ASN 201.A OD1 no hydrogen 2.964 N/A ARG 127.A NH2 ASP 131.A OD1 no hydrogen 3.035 N/A ARG 127.A NH2 ASP 131.A OD2 no hydrogen 3.565 N/A TYR 128.A N ALA 124.A O no hydrogen 2.944 N/A TYR 128.A OH GLU 53.A OE2 no hydrogen 2.665 N/A LEU 129.A N TYR 125.A O no hydrogen 3.100 N/A ASP 131.A N ARG 127.A O no hydrogen 2.824 N/A LEU 132.A N TYR 128.A O no hydrogen 2.908 N/A SER 133.A N LEU 129.A O no hydrogen 3.133 N/A SER 133.A OG LEU 129.A O no hydrogen 3.052 N/A GLY 134.A N GLY 130.A O no hydrogen 3.057 N/A GLN 136.A NE2 SER 133.A O no hydrogen 2.931 N/A LEU 138.A N GLY 134.A O no hydrogen 3.242 N/A LYS 139.A N GLY 135.A O no hydrogen 2.729 N/A LYS 140.A N GLN 136.A O no hydrogen 2.882 N/A ILE 141.A N VAL 137.A O no hydrogen 3.355 N/A ALA 142.A N LEU 138.A O no hydrogen 3.107 N/A GLN 143.A N LYS 139.A O no hydrogen 2.905 N/A LYS 144.A N LYS 140.A O no hydrogen 3.317 N/A ALA 145.A N ILE 141.A O no hydrogen 2.905 N/A ALA 145.A N ALA 142.A O no hydrogen 3.133 N/A LEU 146.A N ALA 142.A O no hydrogen 2.659 N/A ASP 147.A N GLN 143.A O no hydrogen 3.364 N/A SER 151.A OG PRO 149.A O no hydrogen 3.500 N/A SER 151.A OG GLU 153.A O no hydrogen 3.103 N/A GLU 153.A N SER 151.A OG no hydrogen 3.328 N/A ALA 156.A N ASP 83.A OD2 no hydrogen 2.818 N/A PHE 157.A N ASP 83.A OD1 no hydrogen 2.754 N/A PHE 158.A N LEU 155.A O no hydrogen 3.007 N/A THR 159.A N ALA 156.A O no hydrogen 3.044 N/A ILE 163.A N PHE 160.A O no hydrogen 3.390 N/A THR 167.A OG1 SER 165.A OG no hydrogen 3.320 N/A LYS 168.A N SER 165.A OG no hydrogen 3.052 N/A PHE 169.A N SER 165.A O no hydrogen 2.820 N/A LYS 170.A N ALA 166.A O no hydrogen 2.858 N/A GLN 171.A N THR 167.A O no hydrogen 3.081 N/A LEU 172.A N LYS 168.A O no hydrogen 3.227 N/A TYR 173.A N PHE 169.A O no hydrogen 2.768 N/A GLU 174.A N LYS 170.A O no hydrogen 2.897 N/A SER 175.A N GLN 171.A O no hydrogen 2.912 N/A ARG 176.A N LEU 172.A O no hydrogen 2.920 N/A ARG 176.A NH1 PRO 67.A O no hydrogen 2.828 N/A MET 177.A N TYR 173.A O no hydrogen 2.945 N/A ASN 178.A N GLU 174.A O no hydrogen 2.992 N/A ASN 178.A ND2 SER 5.A OG no hydrogen 3.149 N/A SER 179.A N ARG 176.A O no hydrogen 3.220 N/A SER 179.A OG ARG 176.A O no hydrogen 2.544 N/A LEU 180.A N MET 177.A O no hydrogen 2.977 N/A VAL 186.A N THR 183.A OG1 no hydrogen 2.961 N/A ARG 187.A N THR 183.A O no hydrogen 2.820 N/A ARG 187.A NH2 GLN 2.A O no hydrogen 2.675 N/A GLN 188.A N PRO 184.A O no hydrogen 2.925 N/A ARG 189.A N ALA 185.A O no hydrogen 2.997 N/A VAL 190.A N VAL 186.A O no hydrogen 2.800 N/A ILE 191.A N ARG 187.A O no hydrogen 3.094 N/A GLU 192.A N GLN 188.A O no hydrogen 2.885 N/A GLU 193.A N ARG 189.A O no hydrogen 2.804 N/A ALA 194.A N VAL 190.A O no hydrogen 3.012 N/A LYS 195.A N ILE 191.A O no hydrogen 3.266 N/A LYS 195.A NZ GLU 192.A OE2 no hydrogen 3.252 N/A THR 196.A N GLU 192.A O no hydrogen 2.916 N/A THR 196.A OG1 GLU 192.A O no hydrogen 3.318 N/A ALA 197.A N GLU 193.A O no hydrogen 2.891 N/A PHE 198.A N ALA 194.A O no hydrogen 3.210 N/A LEU 199.A N LYS 195.A O no hydrogen 2.987 N/A LEU 200.A N THR 196.A O no hydrogen 2.952 N/A ASN 201.A N ALA 197.A O no hydrogen 3.119 N/A ASN 201.A ND2 TYR 105.A OH no hydrogen 3.173 N/A ASN 201.A ND2 ALA 197.A O no hydrogen 2.929 N/A ILE 202.A N PHE 198.A O no hydrogen 2.886 N/A GLN 203.A N LEU 199.A O no hydrogen 2.972 N/A LEU 204.A N LEU 200.A O no hydrogen 3.201 N/A PHE 205.A N ASN 201.A O no hydrogen 2.883 N/A GLU 206.A N ILE 202.A O no hydrogen 2.962 N/A GLU 207.A N GLN 203.A O no hydrogen 3.055 N/A LEU 208.A N LEU 204.A O no hydrogen 2.888 N/A GLN 209.A N PHE 205.A O no hydrogen 2.982 N/A GLU 210.A N GLU 206.A O no hydrogen 3.186 N/A LEU 211.A N GLU 207.A O no hydrogen 3.008 N/A LEU 212.A N LEU 208.A O no hydrogen 3.157 N/A THR 213.A OG1 GLN 209.A O no hydrogen 3.121 N/A HIS 214.A NE2 GLU 210.A OE1 no hydrogen 3.230 N/A