Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kkx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ASN 9.A O no hydrogen 2.978 N/A GLY 6.A N ASN 9.A OD1 no hydrogen 2.880 N/A ASN 9.A ND2 HIS 2.A O no hydrogen 3.089 N/A HIS 13.A N GLY 10.A O no hydrogen 2.737 N/A TRP 14.A N PRO 11.A O no hydrogen 3.250 N/A TRP 14.A NE1 GLY 4.A O no hydrogen 3.066 N/A LYS 16.A N HIS 13.A O no hydrogen 3.089 N/A LYS 16.A NZ HIS 13.A ND1 no hydrogen 2.853 N/A ASP 17.A N TRP 14.A O no hydrogen 3.084 N/A PHE 18.A N TRP 14.A O no hydrogen 2.846 N/A ALA 21.A N PHE 18.A O no hydrogen 2.905 N/A LYS 22.A N PRO 19.A O no hydrogen 3.108 N/A GLY 23.A N ILE 20.A O no hydrogen 2.799 N/A ARG 25.A N GLU 202.A OE2 no hydrogen 2.919 N/A ARG 25.A NE GLY 193.A O no hydrogen 3.097 N/A ARG 25.A NH1 PRO 135.A O no hydrogen 3.439 N/A ARG 25.A NH2 PRO 135.A O no hydrogen 3.249 N/A ARG 25.A NH2 GLY 193.A O no hydrogen 3.150 N/A ARG 25.A NH2 VAL 204.A O no hydrogen 2.978 N/A GLN 26.A NE2 LEU 200.A O no hydrogen 3.148 N/A GLN 26.A NE2 GLU 202.A OE2 no hydrogen 3.111 N/A SER 27.A N SER 194.A OG no hydrogen 2.875 N/A SER 27.A OG TYR 191.A OH no hydrogen 2.833 N/A ILE 31.A N THR 106.A O no hydrogen 2.801 N/A THR 33.A N ASP 108.A OD1 no hydrogen 2.787 N/A THR 33.A OG1 ASP 108.A OD1 no hydrogen 3.349 N/A THR 33.A OG1 ASP 108.A OD2 no hydrogen 2.607 N/A HIS 34.A N ASP 32.A OD1 no hydrogen 3.026 N/A THR 35.A N ASP 32.A O no hydrogen 3.188 N/A THR 35.A OG1 ASP 32.A OD1 no hydrogen 3.033 N/A ALA 36.A N ASP 32.A O no hydrogen 3.124 N/A LYS 37.A N ILE 253.A O no hydrogen 3.005 N/A ASP 39.A N ALA 255.A O no hydrogen 2.942 N/A SER 41.A N ASP 39.A OD1 no hydrogen 2.771 N/A SER 41.A OG ASP 39.A OD1 no hydrogen 2.823 N/A SER 41.A OG ASP 39.A OD2 no hydrogen 3.400 N/A LEU 42.A N ASP 39.A O no hydrogen 3.052 N/A LYS 43.A NZ SER 41.A O no hydrogen 2.741 N/A SER 46.A N LYS 78.A O no hydrogen 2.875 N/A SER 48.A N VAL 76.A O no hydrogen 2.886 N/A TYR 49.A OH HIS 120.A NE2 no hydrogen 2.733 N/A ALA 52.A N TYR 49.A O no hydrogen 3.243 N/A SER 54.A OG PHE 173.A O no hydrogen 2.598 N/A LEU 55.A N GLU 67.A O no hydrogen 2.757 N/A ARG 56.A NE GLU 67.A OE2 no hydrogen 2.903 N/A ARG 56.A NH1 GLU 67.A OE1 no hydrogen 3.179 N/A ARG 56.A NH1 GLU 67.A OE2 no hydrogen 3.246 N/A ILE 57.A N ALA 171.A O no hydrogen 2.909 N/A LEU 58.A N ASN 65.A O no hydrogen 2.929 N/A ASN 59.A N LYS 169.A O no hydrogen 2.977 N/A ASN 59.A ND2 ILE 164.A O no hydrogen 3.108 N/A ASN 59.A ND2 ASN 227.A O no hydrogen 3.240 N/A ASN 60.A N ALA 63.A O no hydrogen 3.113 N/A GLY 61.A N ASN 59.A OD1 no hydrogen 2.822 N/A HIS 62.A N ASN 60.A OD1 no hydrogen 2.831 N/A ALA 63.A N ASN 60.A OD1 no hydrogen 3.001 N/A ASN 65.A N LEU 58.A O no hydrogen 2.850 N/A VAL 66.A N PHE 91.A O no hydrogen 2.845 N/A GLU 67.A N ARG 56.A O no hydrogen 2.862 N/A PHE 68.A N ILE 89.A O no hydrogen 2.988 N/A ASP 69.A N THR 53.A O no hydrogen 2.849 N/A SER 71.A N ASP 69.A OD1 no hydrogen 2.921 N/A SER 71.A OG ASP 69.A OD1 no hydrogen 2.735 N/A LYS 74.A N GLN 72.A O no hydrogen 2.935 N/A LYS 74.A NZ THR 53.A OG1 no hydrogen 2.820 N/A LYS 74.A NZ ASP 69.A OD2 no hydrogen 2.984 N/A VAL 76.A N SER 48.A O no hydrogen 2.966 N/A LEU 77.A N TYR 86.A O no hydrogen 2.853 N/A LYS 78.A N SER 46.A O no hydrogen 3.000 N/A GLY 80.A N PRO 44.A O no hydrogen 3.041 N/A LEU 82.A N GLY 79.A O no hydrogen 2.915 N/A TYR 86.A N LEU 77.A O no hydrogen 3.055 N/A TYR 86.A OH ASP 136.A O no hydrogen 2.835 N/A ARG 87.A N TRP 121.A O no hydrogen 2.853 N/A ARG 87.A NE ASP 73.A OD2 no hydrogen 2.538 N/A ARG 87.A NH1 ASP 70.A O no hydrogen 2.919 N/A ARG 87.A NH2 ASP 73.A OD2 no hydrogen 3.094 N/A LEU 88.A N ALA 75.A O no hydrogen 2.895 N/A ILE 89.A N VAL 119.A O no hydrogen 2.972 N/A PHE 91.A N VAL 66.A O no hydrogen 3.007 N/A HIS 92.A N HIS 117.A O no hydrogen 3.022 N/A HIS 92.A ND1 GLN 90.A OE1 no hydrogen 2.804 N/A HIS 94.A N GLU 115.A O no hydrogen 2.890 N/A HIS 94.A ND1 ASN 241.A O no hydrogen 2.785 N/A HIS 94.A NE2 HIS 117.A ND1 no hydrogen 3.014 N/A TRP 95.A N ASN 241.A OD1 no hydrogen 2.834 N/A TRP 95.A NE1 MET 238.A O no hydrogen 2.781 N/A SER 97.A N ASP 240.A OD1 no hydrogen 2.958 N/A SER 97.A OG ASP 240.A OD1 no hydrogen 3.498 N/A SER 97.A OG ASP 240.A OD2 no hydrogen 2.665 N/A GLN 101.A N LEU 98.A O no hydrogen 3.240 N/A GLN 101.A NE2 ASP 240.A OD1 no hydrogen 2.889 N/A GLN 101.A NE2 ASP 240.A OD2 no hydrogen 3.468 N/A SER 103.A N TYR 112.A O no hydrogen 2.947 N/A SER 103.A OG HIS 105.A O no hydrogen 2.802 N/A GLU 104.A N GLU 115.A OE1 no hydrogen 2.749 N/A HIS 105.A N GLU 115.A OE1 no hydrogen 2.729 N/A HIS 105.A ND1 GLU 115.A OE2 no hydrogen 2.797 N/A HIS 105.A NE2 TYR 191.A OH no hydrogen 2.582 N/A THR 106.A OG1 ASP 30.A OD1 no hydrogen 2.638 N/A VAL 107.A N LYS 110.A O no hydrogen 3.028 N/A ASP 108.A N ILE 31.A O no hydrogen 2.905 N/A LYS 109.A N ASP 30.A OD1 no hydrogen 2.836 N/A LYS 110.A N VAL 107.A O no hydrogen 2.805 N/A LYS 110.A NZ LYS 111.A O no hydrogen 3.410 N/A TYR 112.A N SER 103.A OG no hydrogen 2.937 N/A ALA 113.A N LEU 145.A O no hydrogen 3.139 N/A GLU 115.A N HIS 94.A O no hydrogen 2.871 N/A LEU 116.A N ILE 143.A O no hydrogen 2.734 N/A HIS 117.A N HIS 92.A O no hydrogen 2.837 N/A HIS 117.A NE2 GLU 115.A OE2 no hydrogen 2.688 N/A LEU 118.A N LEU 141.A O no hydrogen 2.900 N/A VAL 119.A N GLN 90.A O no hydrogen 2.877 N/A HIS 120.A N ALA 139.A O no hydrogen 2.901 N/A HIS 120.A ND1 ALA 139.A O no hydrogen 3.158 N/A HIS 120.A NE2 TYR 49.A OH no hydrogen 2.733 N/A TRP 121.A N ARG 87.A O no hydrogen 2.926 N/A TRP 121.A NE1 ASP 70.A OD2 no hydrogen 2.833 N/A ASN 122.A N GLY 137.A O no hydrogen 2.800 N/A ASN 122.A ND2 ASP 136.A O no hydrogen 3.144 N/A THR 123.A N THR 85.A O no hydrogen 2.958 N/A THR 123.A OG1 THR 85.A O no hydrogen 3.234 N/A LYS 124.A N ASN 122.A OD1 no hydrogen 3.101 N/A TYR 125.A N ASN 122.A O no hydrogen 3.046 N/A TYR 125.A OH ASP 136.A OD1 no hydrogen 2.547 N/A TYR 125.A OH ASP 136.A OD2 no hydrogen 3.395 N/A GLY 126.A N THR 123.A O no hydrogen 3.064 N/A LYS 130.A N ASP 127.A O no hydrogen 3.255 N/A LYS 130.A N ASP 127.A OD1 no hydrogen 2.991 N/A ALA 131.A N ASP 127.A O no hydrogen 3.042 N/A VAL 132.A N PHE 128.A O no hydrogen 3.103 N/A GLN 133.A N LYS 130.A O no hydrogen 3.037 N/A GLN 133.A NE2 GLY 129.A O no hydrogen 3.384 N/A GLN 134.A N ALA 131.A O no hydrogen 3.068 N/A GLY 137.A N GLN 134.A O no hydrogen 3.078 N/A LEU 138.A N CYS 203.A O no hydrogen 2.863 N/A ALA 139.A N HIS 120.A O no hydrogen 2.887 N/A VAL 140.A N THR 205.A O no hydrogen 3.140 N/A LEU 141.A N LEU 118.A O no hydrogen 3.009 N/A GLY 142.A N ILE 207.A O no hydrogen 2.855 N/A ILE 143.A N LEU 116.A O no hydrogen 2.873 N/A LEU 145.A N ALA 114.A O no hydrogen 2.958 N/A LYS 146.A N ILE 213.A O no hydrogen 2.922 N/A GLY 148.A N VAL 215.A O no hydrogen 2.809 N/A LYS 151.A N GLN 219.A OE1 no hydrogen 2.873 N/A LEU 154.A N LYS 151.A O no hydrogen 2.928 N/A GLN 155.A N PRO 152.A O no hydrogen 3.191 N/A GLN 155.A NE2 ASP 159.A OD1 no hydrogen 3.135 N/A VAL 157.A N LEU 154.A O no hydrogen 2.984 N/A VAL 158.A N LEU 154.A O no hydrogen 3.145 N/A ASP 159.A N GLN 155.A O no hydrogen 2.864 N/A VAL 160.A N VAL 157.A O no hydrogen 3.199 N/A LEU 161.A N VAL 158.A O no hydrogen 3.351 N/A SER 163.A N VAL 160.A O no hydrogen 2.898 N/A SER 163.A OG VAL 160.A O no hydrogen 2.723 N/A ILE 164.A N LEU 161.A O no hydrogen 2.975 N/A LYS 165.A NZ GLU 235.A OE2 no hydrogen 3.477 N/A LYS 167.A N ASN 229.A O no hydrogen 2.879 N/A GLY 168.A N ASN 59.A O no hydrogen 2.788 N/A LYS 169.A N THR 166.A O no hydrogen 3.179 N/A LYS 169.A NZ GLU 231.A OE1 no hydrogen 3.100 N/A ALA 171.A N ILE 57.A O no hydrogen 2.900 N/A PHE 173.A N LEU 55.A O no hydrogen 2.996 N/A THR 174.A OG1 ASN 175.A OD1 no hydrogen 3.195 N/A PHE 176.A N SER 54.A OG no hydrogen 3.021 N/A ARG 179.A N ASP 177.A OD1 no hydrogen 2.919 N/A ARG 179.A NE ASP 177.A OD1 no hydrogen 3.096 N/A ARG 179.A NE ASP 177.A OD2 no hydrogen 3.156 N/A ARG 179.A NH2 ASP 177.A OD2 no hydrogen 3.000 N/A GLY 180.A N ASP 177.A O no hydrogen 3.225 N/A LEU 181.A N PRO 178.A O no hydrogen 3.097 N/A LEU 182.A N ARG 179.A O no hydrogen 3.375 N/A GLU 184.A N GLU 211.A OE2 no hydrogen 3.150 N/A SER 185.A N GLU 211.A OE1 no hydrogen 2.910 N/A ASP 187.A N SER 185.A OG no hydrogen 3.274 N/A TYR 188.A N SER 256.A OG no hydrogen 2.967 N/A TYR 188.A OH LYS 43.A O no hydrogen 2.761 N/A TRP 189.A N VAL 208.A O no hydrogen 2.852 N/A THR 190.A N LYS 254.A O no hydrogen 2.847 N/A THR 190.A OG1 TRP 206.A O no hydrogen 2.770 N/A TYR 191.A N TRP 206.A O no hydrogen 3.307 N/A TYR 191.A OH SER 27.A OG no hydrogen 2.833 N/A TYR 191.A OH HIS 105.A NE2 no hydrogen 2.582 N/A GLY 193.A N VAL 204.A O no hydrogen 2.704 N/A SER 194.A N SER 27.A OG no hydrogen 2.994 N/A SER 194.A OG LEU 195.A O no hydrogen 2.806 N/A LEU 195.A N LEU 201.A O no hydrogen 2.966 N/A THR 196.A OG1 GLU 104.A OE1 no hydrogen 2.629 N/A THR 196.A OG1 GLU 104.A OE2 no hydrogen 3.502 N/A LEU 200.A N THR 197.A O no hydrogen 2.828 N/A CYS 203.A SG LEU 201.A O no hydrogen 3.704 N/A VAL 204.A N GLY 193.A O no hydrogen 3.248 N/A THR 205.A N LEU 138.A O no hydrogen 2.915 N/A TRP 206.A N TYR 191.A O no hydrogen 2.986 N/A TRP 206.A NE1 SER 194.A O no hydrogen 3.030 N/A ILE 207.A N VAL 140.A O no hydrogen 2.952 N/A VAL 208.A N TRP 189.A O no hydrogen 2.819 N/A LEU 209.A N GLY 142.A O no hydrogen 2.949 N/A LYS 210.A N ASP 187.A O no hydrogen 3.053 N/A ILE 213.A N PHE 144.A O no hydrogen 2.881 N/A VAL 215.A N LYS 146.A O no hydrogen 2.921 N/A SER 216.A N GLN 219.A OE1 no hydrogen 3.105 N/A SER 217.A OG GLU 218.A OE1 no hydrogen 3.408 N/A GLN 219.A N SER 216.A OG no hydrogen 3.221 N/A GLN 219.A NE2 LYS 151.A O no hydrogen 3.035 N/A GLN 219.A NE2 GLN 155.A OE1 no hydrogen 2.975 N/A VAL 220.A N SER 216.A O no hydrogen 3.097 N/A LEU 221.A N SER 217.A O no hydrogen 2.890 N/A LYS 222.A N GLU 218.A O no hydrogen 3.280 N/A LYS 222.A N GLN 219.A O no hydrogen 3.160 N/A ARG 224.A N VAL 220.A O no hydrogen 3.347 N/A ARG 224.A NE GLY 96.A O no hydrogen 2.728 N/A ARG 224.A NH1 ASP 99.A OD1 no hydrogen 3.565 N/A ARG 224.A NH2 ASP 99.A OD1 no hydrogen 2.910 N/A LYS 225.A N LYS 222.A O no hydrogen 3.181 N/A LEU 226.A N PHE 223.A O no hydrogen 3.260 N/A ASN 227.A N LYS 165.A O no hydrogen 2.825 N/A ASN 227.A ND2 GLU 235.A OE2 no hydrogen 3.219 N/A PHE 228.A N GLU 236.A O no hydrogen 2.898 N/A ASN 229.A ND2 ASN 227.A OD1 no hydrogen 3.582 N/A ASN 229.A ND2 GLY 230.A O no hydrogen 3.039 N/A GLY 230.A N GLU 233.A OE1 no hydrogen 2.843 N/A GLU 233.A N GLY 230.A O no hydrogen 3.109 N/A GLU 236.A N ASN 229.A OD1 no hydrogen 2.802 N/A MET 238.A N LEU 226.A O no hydrogen 2.721 N/A ASN 241.A N TRP 95.A O no hydrogen 3.348 N/A ASN 241.A ND2 HIS 62.A O no hydrogen 2.996 N/A TRP 242.A NE1 ASP 240.A OD1 no hydrogen 3.054 N/A ARG 243.A N GLU 104.A OE2 no hydrogen 2.819 N/A ARG 243.A NH1 GLN 26.A OE1 no hydrogen 2.662 N/A ARG 243.A NH1 SER 27.A O no hydrogen 2.857 N/A ARG 243.A NH2 ALA 21.A O no hydrogen 3.291 N/A ARG 243.A NH2 GLN 26.A OE1 no hydrogen 3.364 N/A GLN 246.A N PRO 28.A O no hydrogen 2.835 N/A GLN 246.A NE2 PRO 244.A O no hydrogen 2.818 N/A ARG 251.A NE LEU 248.A O no hydrogen 2.869 N/A ARG 251.A NH1 GLN 26.A O no hydrogen 3.002 N/A ARG 251.A NH1 PRO 192.A O no hydrogen 2.919 N/A ARG 251.A NH2 GLN 26.A O no hydrogen 2.818 N/A ARG 251.A NH2 PRO 247.A O no hydrogen 2.996 N/A LYS 254.A N THR 190.A O no hydrogen 2.962 N/A LYS 254.A NZ ASP 39.A OD2 no hydrogen 3.050 N/A ALA 255.A N LYS 37.A O no hydrogen 2.869 N/A SER 256.A N TYR 188.A O no hydrogen 2.886 N/A SER 256.A OG TYR 188.A O no hydrogen 3.366 N/A