Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rot_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ TYR 5.A OH no hydrogen 3.481 N/A TYR 4.A N ASP 33.A O no hydrogen 2.897 N/A TYR 5.A N GLY 62.A O no hydrogen 3.120 N/A TYR 5.A OH THR 58.A OG1 no hydrogen 3.189 N/A LEU 6.A N GLN 35.A O no hydrogen 3.015 N/A ILE 7.A N ALA 64.A O no hydrogen 2.762 N/A THR 8.A N LEU 37.A O no hydrogen 3.041 N/A THR 8.A OG1 GLY 10.A O no hydrogen 2.732 N/A HIS 9.A ND1 THR 66.A OG1 no hydrogen 2.701 N/A SER 11.A OG GLN 12.A OE1 no hydrogen 2.875 N/A SER 11.A OG PRO 39.A O no hydrogen 2.961 N/A TYR 15.A N ASP 13.A OD1 no hydrogen 2.999 N/A TYR 15.A OH ASP 91.A OD1 no hydrogen 2.732 N/A TRP 16.A N ASP 13.A O no hydrogen 2.865 N/A THR 17.A OG1 PRO 14.A O no hydrogen 2.693 N/A SER 18.A N PRO 14.A O no hydrogen 3.382 N/A LEU 19.A N TYR 15.A O no hydrogen 3.176 N/A PHE 20.A N TRP 16.A O no hydrogen 2.674 N/A GLN 21.A N THR 17.A O no hydrogen 3.004 N/A GLY 22.A N SER 18.A O no hydrogen 3.233 N/A ALA 23.A N LEU 19.A O no hydrogen 3.133 N/A LYS 24.A N PHE 20.A O no hydrogen 2.857 N/A LYS 25.A N GLN 21.A O no hydrogen 2.821 N/A ALA 26.A N GLY 22.A O no hydrogen 3.103 N/A ALA 27.A N ALA 23.A O no hydrogen 2.872 N/A GLU 28.A N LYS 24.A O no hydrogen 2.855 N/A GLU 29.A N LYS 25.A O no hydrogen 3.022 N/A LEU 30.A N ALA 26.A O no hydrogen 2.962 N/A LYS 31.A N GLU 28.A O no hydrogen 3.278 N/A LYS 31.A NZ GLU 29.A O no hydrogen 2.981 N/A VAL 32.A N ALA 27.A O no hydrogen 3.051 N/A ASP 33.A N ASP 2.A O no hydrogen 2.904 N/A GLN 35.A N TYR 4.A O no hydrogen 2.958 N/A LEU 37.A N LEU 6.A O no hydrogen 2.957 N/A LYS 47.A N ASP 44.A OD1 no hydrogen 2.943 N/A GLN 48.A N ASP 44.A O no hydrogen 3.119 N/A GLN 48.A NE2 THR 65.A OG1 no hydrogen 3.211 N/A GLN 48.A NE2 THR 66.A O no hydrogen 3.191 N/A GLN 48.A NE2 THR 66.A OG1 no hydrogen 3.075 N/A VAL 49.A N VAL 45.A O no hydrogen 2.784 N/A GLN 50.A N PRO 46.A O no hydrogen 2.984 N/A PHE 51.A N LYS 47.A O no hydrogen 2.914 N/A ILE 52.A N GLN 48.A O no hydrogen 2.966 N/A GLU 53.A N VAL 49.A O no hydrogen 2.958 N/A SER 54.A N GLN 50.A O no hydrogen 2.813 N/A SER 54.A OG GLN 50.A O no hydrogen 3.124 N/A SER 54.A OG PHE 51.A O no hydrogen 2.969 N/A ALA 55.A N PHE 51.A O no hydrogen 2.878 N/A LEU 56.A N ILE 52.A O no hydrogen 2.964 N/A ALA 57.A N GLU 53.A O no hydrogen 3.332 N/A THR 58.A N ALA 55.A O no hydrogen 3.052 N/A THR 58.A OG1 TYR 5.A OH no hydrogen 3.189 N/A THR 58.A OG1 ALA 55.A O no hydrogen 2.542 N/A TYR 59.A N LEU 56.A O no hydrogen 2.932 N/A SER 61.A N LYS 3.A O no hydrogen 2.761 N/A ILE 63.A N PRO 86.A O no hydrogen 3.020 N/A ALA 64.A N TYR 5.A O no hydrogen 2.786 N/A THR 65.A N ILE 88.A O no hydrogen 2.906 N/A THR 65.A OG1 ILE 7.A O no hydrogen 3.175 N/A THR 65.A OG1 THR 66.A O no hydrogen 3.062 N/A THR 66.A N ILE 7.A O no hydrogen 3.125 N/A THR 66.A OG1 HIS 9.A ND1 no hydrogen 2.701 N/A ILE 67.A N THR 92.A O no hydrogen 3.023 N/A THR 71.A N SER 69.A OG no hydrogen 3.267 N/A ALA 72.A N SER 69.A OG no hydrogen 3.121 N/A SER 74.A N THR 71.A O no hydrogen 3.388 N/A SER 74.A OG THR 71.A O no hydrogen 3.325 N/A SER 76.A OG GLU 53.A OE2 no hydrogen 2.745 N/A LEU 77.A N PHE 73.A O no hydrogen 2.831 N/A GLN 78.A N SER 74.A O no hydrogen 2.840 N/A GLN 78.A NE2 LYS 99.A O no hydrogen 2.985 N/A ARG 79.A N LYS 75.A O no hydrogen 2.813 N/A ARG 79.A NH1 GLU 53.A OE1 no hydrogen 2.550 N/A ALA 80.A N SER 76.A O no hydrogen 2.870 N/A ASN 81.A N LEU 77.A O no hydrogen 2.891 N/A LYS 82.A N GLN 78.A O no hydrogen 2.952 N/A LEU 83.A N ARG 79.A O no hydrogen 3.017 N/A ASN 84.A N ASN 81.A O no hydrogen 3.195 N/A ILE 85.A N ALA 80.A O no hydrogen 3.124 N/A ILE 88.A N ILE 63.A O no hydrogen 2.846 N/A ALA 89.A N VAL 104.A O no hydrogen 2.841 N/A VAL 90.A N THR 65.A O no hydrogen 2.929 N/A ASP 91.A N LEU 106.A O no hydrogen 3.033 N/A THR 92.A N VAL 90.A O no hydrogen 2.701 N/A THR 92.A OG1 ASP 91.A OD2 no hydrogen 2.779 N/A LYS 95.A N ASP 70.A OD1 no hydrogen 2.889 N/A LYS 97.A NZ TYR 102.A O no hydrogen 3.111 N/A LYS 97.A NZ LEU 103.A O no hydrogen 3.073 N/A THR 98.A N ASP 96.A OD1 no hydrogen 2.935 N/A THR 98.A OG1 ASP 96.A OD1 no hydrogen 2.489 N/A THR 98.A OG1 ASP 96.A OD2 no hydrogen 2.720 N/A ASN 100.A N ASP 96.A O no hydrogen 3.016 N/A ASN 100.A ND2 ASP 70.A O no hydrogen 3.618 N/A ASN 100.A ND2 SER 74.A OG no hydrogen 2.635 N/A LEU 103.A N VAL 87.A O no hydrogen 2.808 N/A LEU 106.A N ALA 89.A O no hydrogen 2.893 N/A GLY 107.A N ILE 265.A O no hydrogen 3.124 N/A SER 108.A OG GLN 241.A OE1 no hydrogen 3.060 N/A LEU 112.A N ASP 109.A OD1 no hydrogen 3.064 N/A ALA 113.A N ASP 109.A O no hydrogen 2.849 N/A GLY 114.A N ASN 110.A O no hydrogen 2.948 N/A LYS 115.A N LEU 111.A O no hydrogen 3.044 N/A LYS 115.A NZ THR 152.A OG1 no hydrogen 3.003 N/A LYS 116.A N LEU 112.A O no hydrogen 2.867 N/A LEU 117.A N ALA 113.A O no hydrogen 2.880 N/A GLY 118.A N GLY 114.A O no hydrogen 2.890 N/A GLU 119.A N LYS 115.A O no hydrogen 2.907 N/A LYS 120.A N LYS 116.A O no hydrogen 3.049 N/A ALA 121.A N LEU 117.A O no hydrogen 3.015 N/A LEU 122.A N GLY 118.A O no hydrogen 3.223 N/A GLU 123.A N GLU 119.A O no hydrogen 3.225 N/A GLU 123.A N LYS 120.A O no hydrogen 3.086 N/A LEU 124.A N LYS 120.A O no hydrogen 2.853 N/A THR 125.A N ALA 121.A O no hydrogen 2.713 N/A THR 125.A OG1 TYR 219.A OH no hydrogen 2.569 N/A ALA 128.A N THR 125.A O no hydrogen 3.024 N/A LYS 129.A N ASN 188.A OD1 no hydrogen 3.022 N/A ARG 130.A N ASN 188.A OD1 no hydrogen 3.285 N/A ARG 130.A NE TYR 180.A OH no hydrogen 3.088 N/A ARG 130.A NH2 TYR 180.A OH no hydrogen 3.548 N/A ALA 131.A N PHE 160.A O no hydrogen 2.897 N/A LEU 132.A N ILE 189.A O no hydrogen 2.853 N/A VAL 133.A N GLU 162.A O no hydrogen 2.919 N/A LEU 134.A N PHE 191.A O no hydrogen 2.907 N/A ASN 135.A N LEU 164.A O no hydrogen 2.790 N/A ASN 135.A ND2 GLU 163.A OE2 no hydrogen 2.855 N/A GLN 137.A N ASN 135.A OD1 no hydrogen 2.920 N/A GLN 137.A NE2 GLN 196.A OE1 no hydrogen 2.866 N/A HIS 140.A N GLN 137.A O no hydrogen 3.015 N/A ILE 141.A N PRO 68.A O no hydrogen 3.280 N/A GLY 142.A N HIS 140.A ND1 no hydrogen 2.832 N/A LEU 143.A N HIS 140.A ND1 no hydrogen 3.026 N/A GLU 144.A N HIS 140.A O no hydrogen 3.106 N/A LYS 145.A N ILE 141.A O no hydrogen 3.343 N/A ARG 146.A N GLY 142.A O no hydrogen 3.165 N/A ARG 146.A NH1 LEU 193.A O no hydrogen 2.729 N/A ALA 147.A N LEU 143.A O no hydrogen 2.987 N/A TYR 148.A N GLU 144.A O no hydrogen 2.927 N/A GLY 149.A N LYS 145.A O no hydrogen 2.903 N/A ILE 150.A N ARG 146.A O no hydrogen 2.949 N/A LYS 151.A N ALA 147.A O no hydrogen 2.908 N/A LYS 151.A NZ GLU 163.A OE1 no hydrogen 2.500 N/A THR 152.A N TYR 148.A O no hydrogen 3.063 N/A THR 152.A OG1 GLY 149.A O no hydrogen 2.718 N/A LEU 154.A N ILE 150.A O no hydrogen 3.071 N/A GLN 155.A N LYS 151.A O no hydrogen 2.726 N/A ASP 156.A N THR 152.A O no hydrogen 3.020 N/A LYS 157.A N ILE 153.A O no hydrogen 3.299 N/A GLY 158.A N GLN 155.A O no hydrogen 2.980 N/A ILE 159.A N LEU 154.A O no hydrogen 2.933 N/A GLU 162.A N ALA 131.A O no hydrogen 3.254 N/A LEU 164.A N VAL 133.A O no hydrogen 2.654 N/A VAL 166.A N ASN 135.A O no hydrogen 2.896 N/A GLN 172.A N ASP 169.A OD2 no hydrogen 3.035 N/A VAL 173.A N ASP 169.A O no hydrogen 2.978 N/A GLN 174.A N PRO 170.A O no hydrogen 3.160 N/A GLN 174.A NE2 PRO 200.A O no hydrogen 3.003 N/A GLN 174.A NE2 GLN 203.A OE1 no hydrogen 3.258 N/A SER 175.A N ASN 171.A O no hydrogen 3.035 N/A SER 175.A OG ASN 171.A O no hydrogen 2.854 N/A ARG 176.A N GLN 172.A O no hydrogen 2.916 N/A ARG 176.A NH1 ASP 165.A O no hydrogen 2.877 N/A VAL 177.A N VAL 173.A O no hydrogen 3.044 N/A LYS 178.A N GLN 174.A O no hydrogen 2.923 N/A LYS 178.A NZ TYR 210.A O no hydrogen 2.960 N/A SER 179.A N SER 175.A O no hydrogen 2.967 N/A SER 179.A OG SER 175.A O no hydrogen 3.092 N/A TYR 180.A N ARG 176.A O no hydrogen 3.237 N/A PHE 181.A N VAL 177.A O no hydrogen 3.093 N/A LYS 182.A N LYS 178.A O no hydrogen 3.049 N/A ILE 183.A N SER 179.A O no hydrogen 3.324 N/A ILE 183.A N TYR 180.A O no hydrogen 3.032 N/A HIS 184.A N TYR 180.A O no hydrogen 2.687 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.483 N/A THR 187.A N HIS 184.A O no hydrogen 3.030 N/A THR 187.A OG1 HIS 184.A O no hydrogen 2.649 N/A ASN 188.A N ARG 130.A O no hydrogen 3.057 N/A ASN 188.A ND2 SER 127.A O no hydrogen 3.019 N/A ILE 189.A N ARG 130.A O no hydrogen 3.279 N/A ILE 190.A N GLN 217.A O no hydrogen 2.750 N/A PHE 191.A N LEU 132.A O no hydrogen 2.871 N/A CYS 192.A N TYR 219.A O no hydrogen 2.705 N/A LEU 193.A N LEU 134.A O no hydrogen 3.278 N/A THR 194.A OG1 GLN 196.A OE1 no hydrogen 3.072 N/A SER 195.A OG ASP 13.A OD1 no hydrogen 2.526 N/A SER 195.A OG ASP 13.A OD2 no hydrogen 2.906 N/A GLN 196.A N THR 194.A OG1 no hydrogen 3.047 N/A ALA 197.A N THR 194.A O no hydrogen 3.191 N/A LEU 198.A N THR 194.A O no hydrogen 3.431 N/A ASP 199.A N SER 195.A O no hydrogen 2.909 N/A GLY 202.A N LEU 198.A O no hydrogen 2.582 N/A GLN 203.A N ASP 199.A O no hydrogen 3.110 N/A LEU 205.A N GLY 202.A O no hydrogen 3.064 N/A HIS 206.A N GLN 203.A O no hydrogen 3.163 N/A TYR 210.A N HIS 206.A O no hydrogen 3.233 N/A ASP 211.A N ASP 208.A O no hydrogen 3.284 N/A PHE 212.A N PRO 207.A O no hydrogen 2.908 N/A GLN 217.A N ASN 188.A O no hydrogen 2.779 N/A GLN 217.A NE2 GLN 215.A O no hydrogen 3.566 N/A TYR 219.A N ILE 190.A O no hydrogen 2.708 N/A TYR 219.A OH THR 125.A OG1 no hydrogen 2.569 N/A SER 220.A N TYR 238.A O no hydrogen 3.223 N/A SER 220.A OG CYS 192.A O no hydrogen 3.343 N/A SER 220.A OG PHE 221.A O no hydrogen 3.557 N/A PHE 221.A N SER 220.A OG no hydrogen 2.690 N/A THR 224.A N ASP 222.A O no hydrogen 3.057 N/A THR 224.A OG1 THR 227.A OG1 no hydrogen 2.589 N/A ASN 226.A ND2 ASP 199.A OD1 no hydrogen 3.297 N/A THR 227.A N THR 224.A OG1 no hydrogen 3.299 N/A THR 227.A OG1 ASP 222.A O no hydrogen 3.402 N/A THR 227.A OG1 THR 224.A OG1 no hydrogen 2.589 N/A VAL 228.A N THR 224.A O no hydrogen 2.785 N/A SER 229.A N PRO 225.A O no hydrogen 3.009 N/A LEU 230.A N ASN 226.A O no hydrogen 2.962 N/A ILE 231.A N THR 227.A O no hydrogen 2.960 N/A HIS 232.A N VAL 228.A O no hydrogen 3.074 N/A LYS 233.A N SER 229.A O no hydrogen 3.106 N/A LYS 234.A N ILE 231.A O no hydrogen 2.920 N/A LEU 235.A N LEU 230.A O no hydrogen 2.938 N/A ASN 237.A N VAL 218.A O no hydrogen 2.848 N/A ASN 237.A ND2 GLN 217.A OE1 no hydrogen 3.106 N/A ASN 237.A ND2 TYR 219.A OH no hydrogen 3.071 N/A GLN 241.A NE2 ASP 222.A OD1 no hydrogen 2.697 N/A GLN 242.A N ASP 240.A OD1 no hydrogen 3.024 N/A TYR 247.A N PHE 244.A O no hydrogen 2.863 N/A TYR 247.A OH GLU 29.A OE2 no hydrogen 2.904 N/A LEU 248.A N LEU 245.A O no hydrogen 2.815 N/A SER 249.A OG GLY 246.A O no hydrogen 3.123 N/A ILE 250.A N GLY 246.A O no hydrogen 3.289 N/A THR 251.A N TYR 247.A O no hydrogen 3.073 N/A THR 251.A OG1 TYR 247.A O no hydrogen 2.812 N/A GLN 252.A N LEU 248.A O no hydrogen 3.031 N/A GLN 252.A NE2 VAL 263.A O no hydrogen 2.793 N/A LEU 253.A N SER 249.A O no hydrogen 3.189 N/A VAL 254.A N ILE 250.A O no hydrogen 3.037 N/A LEU 255.A N THR 251.A O no hydrogen 2.935 N/A ASN 256.A ND2 TYR 4.A OH no hydrogen 2.723 N/A ASN 256.A ND2 SER 61.A O no hydrogen 3.128 N/A ARG 257.A N VAL 254.A O no hydrogen 2.856 N/A ARG 257.A NH1 LEU 30.A O no hydrogen 3.181 N/A ARG 257.A NH2 LEU 30.A O no hydrogen 2.411 N/A TYR 258.A N LEU 255.A O no hydrogen 2.947 N/A VAL 263.A N GLN 252.A OE1 no hydrogen 2.905 N/A ILE 265.A N PHE 105.A O no hydrogen 2.986 N/A THR 267.A N GLY 107.A O no hydrogen 2.924 N/A THR 267.A OG1 GLN 241.A O no hydrogen 2.900 N/A ALA 268.A N ASN 266.A OD1 no hydrogen 3.013 N/A