Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N VAL 241.A O no hydrogen 2.940 N/A CYS 4.A SG LEU 5.A O no hydrogen 3.527 N/A CYS 4.A SG TYR 197.A OH no hydrogen 3.871 N/A LEU 5.A N TYR 29.A O no hydrogen 3.075 N/A HIS 6.A ND1 THR 8.A OG1 no hydrogen 3.066 N/A THR 8.A N HIS 6.A ND1 no hydrogen 3.388 N/A THR 8.A OG1 HIS 6.A ND1 no hydrogen 3.066 N/A LEU 9.A N HIS 6.A O no hydrogen 2.881 N/A VAL 10.A N PRO 7.A O no hydrogen 3.240 N/A GLU 12.A N VAL 10.A O no hydrogen 2.895 N/A THR 13.A N GLU 12.A OE2 no hydrogen 2.703 N/A SER 14.A N GLU 12.A OE2 no hydrogen 2.959 N/A LEU 17.A N SER 14.A OG no hydrogen 3.304 N/A TYR 18.A N SER 14.A O no hydrogen 2.889 N/A TYR 18.A OH ASP 31.A O no hydrogen 2.732 N/A LEU 19.A N LEU 15.A O no hydrogen 2.986 N/A ASP 20.A N VAL 16.A O no hydrogen 3.006 N/A LEU 21.A N LEU 17.A O no hydrogen 2.837 N/A ALA 22.A N TYR 18.A O no hydrogen 2.995 N/A ARG 23.A N LEU 19.A O no hydrogen 3.211 N/A ARG 23.A NH2 ASP 20.A OD1 no hydrogen 3.410 N/A GLU 24.A N ASP 20.A O no hydrogen 2.919 N/A THR 25.A N LEU 21.A O no hydrogen 2.894 N/A THR 25.A OG1 LEU 21.A O no hydrogen 2.752 N/A GLY 26.A N ARG 23.A O no hydrogen 2.969 N/A TYR 27.A N ALA 22.A O no hydrogen 2.958 N/A TYR 27.A OH ALA 259.A O no hydrogen 2.668 N/A VAL 30.A N VAL 58.A O no hydrogen 2.933 N/A ASP 31.A N LEU 5.A O no hydrogen 2.905 N/A TRP 36.A N PRO 33.A O no hydrogen 2.980 N/A GLU 38.A N PHE 34.A O no hydrogen 2.658 N/A ALA 39.A N HIS 35.A O no hydrogen 2.989 N/A GLU 40.A N TRP 36.A O no hydrogen 3.308 N/A ALA 41.A N LEU 37.A O no hydrogen 2.799 N/A GLU 42.A N GLU 38.A O no hydrogen 2.940 N/A ARG 43.A N ALA 39.A O no hydrogen 3.253 N/A HIS 44.A N GLU 40.A O no hydrogen 2.797 N/A HIS 44.A ND1 GLU 40.A OE2 no hydrogen 2.527 N/A GLY 45.A N ALA 41.A O no hydrogen 2.607 N/A GLU 50.A N ASP 46.A O no hydrogen 3.130 N/A ALA 51.A N ALA 47.A O no hydrogen 2.886 N/A GLN 53.A N GLU 50.A O no hydrogen 2.956 N/A ARG 54.A N ALA 51.A O no hydrogen 2.779 N/A ARG 55.A N PHE 52.A O no hydrogen 3.091 N/A ARG 55.A NE ASP 20.A OD1 no hydrogen 2.714 N/A ARG 55.A NH2 ASP 20.A OD1 no hydrogen 2.967 N/A GLY 56.A N GLN 53.A O no hydrogen 3.486 N/A LEU 57.A N PHE 52.A O no hydrogen 2.923 N/A VAL 58.A N ARG 28.A O no hydrogen 2.738 N/A LEU 59.A N LEU 92.A O no hydrogen 2.701 N/A ALA 60.A N VAL 30.A O no hydrogen 2.785 N/A ASN 61.A ND2 THR 98.A OG1 no hydrogen 2.904 N/A LEU 62.A N SER 96.A O no hydrogen 3.021 N/A LEU 64.A N THR 98.A O no hydrogen 2.876 N/A LEU 66.A N LEU 64.A O no hydrogen 2.958 N/A TYR 69.A N ASN 67.A OD1 no hydrogen 2.917 N/A ASP 70.A N ASN 67.A O no hydrogen 3.322 N/A PHE 75.A N SER 71.A O no hydrogen 2.931 N/A LEU 76.A N GLU 72.A O no hydrogen 2.790 N/A ARG 77.A N PRO 73.A O no hydrogen 3.229 N/A GLU 78.A N VAL 74.A O no hydrogen 2.875 N/A LEU 79.A N PHE 75.A O no hydrogen 2.834 N/A SER 80.A N LEU 76.A O no hydrogen 3.067 N/A SER 80.A N ARG 77.A O no hydrogen 3.101 N/A SER 80.A OG LEU 76.A O no hydrogen 3.565 N/A LEU 81.A N ARG 77.A O no hydrogen 3.312 N/A LEU 81.A N GLU 78.A O no hydrogen 3.260 N/A LEU 82.A N LEU 79.A O no hydrogen 3.132 N/A ARG 85.A NH2 PRO 65.A O no hydrogen 3.501 N/A ARG 85.A NH2 GLU 78.A OE1 no hydrogen 2.842 N/A ALA 86.A N LEU 82.A O no hydrogen 2.645 N/A ARG 87.A N PRO 83.A O no hydrogen 2.692 N/A ARG 87.A NH1 ASP 84.A OD1 no hydrogen 2.606 N/A LEU 88.A N ASP 84.A O no hydrogen 3.076 N/A CYS 89.A N ARG 85.A O no hydrogen 3.167 N/A CYS 89.A SG ARG 85.A O no hydrogen 3.574 N/A ALA 90.A N ALA 86.A O no hydrogen 2.848 N/A ARG 91.A N ARG 87.A O no hydrogen 3.104 N/A ARG 91.A NE GLU 50.A OE1 no hydrogen 3.148 N/A ARG 91.A NH1 GLU 50.A OE1 no hydrogen 2.703 N/A LEU 92.A N CYS 89.A O no hydrogen 3.121 N/A GLY 93.A N ALA 90.A O no hydrogen 2.929 N/A ALA 94.A N CYS 89.A O no hydrogen 3.113 N/A ARG 95.A NE ALA 94.A O no hydrogen 2.926 N/A ARG 95.A NH2 ALA 94.A O no hydrogen 3.378 N/A SER 96.A OG ASN 61.A OD1 no hydrogen 2.799 N/A VAL 97.A N ARG 131.A O no hydrogen 2.851 N/A THR 98.A N LEU 62.A O no hydrogen 3.055 N/A ALA 99.A N GLY 133.A O no hydrogen 3.108 N/A LEU 101.A N GLU 135.A O no hydrogen 3.095 N/A SER 104.A OG LEU 142.A O no hydrogen 2.672 N/A GLU 106.A N GLU 106.A OE1 no hydrogen 3.183 N/A TYR 111.A N GLU 107.A O no hydrogen 2.978 N/A ILE 112.A N PRO 108.A O no hydrogen 2.920 N/A SER 113.A N VAL 109.A O no hydrogen 3.165 N/A SER 113.A OG VAL 109.A O no hydrogen 2.419 N/A GLN 114.A N ARG 110.A O no hydrogen 3.123 N/A LEU 115.A N TYR 111.A O no hydrogen 3.055 N/A ALA 116.A N ILE 112.A O no hydrogen 2.951 N/A ARG 117.A N SER 113.A O no hydrogen 3.035 N/A ARG 117.A NH1 GLU 72.A OE1 no hydrogen 3.410 N/A ARG 117.A NH1 GLU 72.A OE2 no hydrogen 2.693 N/A ARG 117.A NH1 GLN 121.A OE1 no hydrogen 2.803 N/A ARG 117.A NH2 GLU 72.A OE1 no hydrogen 2.746 N/A ARG 118.A N GLN 114.A O no hydrogen 2.990 N/A ARG 118.A NE GLU 72.A OE1 no hydrogen 3.390 N/A ARG 118.A NH1 LEU 68.A O no hydrogen 2.828 N/A ARG 118.A NH1 ASP 70.A O no hydrogen 2.806 N/A ARG 118.A NH2 ASP 70.A O no hydrogen 2.918 N/A ARG 118.A NH2 GLU 72.A OE1 no hydrogen 2.887 N/A ILE 119.A N LEU 115.A O no hydrogen 3.117 N/A ARG 120.A N ALA 116.A O no hydrogen 3.116 N/A ARG 120.A NE ILE 163.A O no hydrogen 2.835 N/A ARG 120.A NH2 ALA 162.A O no hydrogen 2.903 N/A GLN 121.A N ARG 117.A O no hydrogen 3.051 N/A VAL 122.A N ARG 118.A O no hydrogen 2.900 N/A ALA 123.A N ILE 119.A O no hydrogen 2.812 N/A VAL 124.A N ARG 120.A O no hydrogen 2.808 N/A GLU 125.A N GLN 121.A O no hydrogen 3.115 N/A LEU 126.A N ALA 123.A O no hydrogen 3.004 N/A LEU 127.A N VAL 124.A O no hydrogen 3.201 N/A LEU 129.A N LEU 126.A O no hydrogen 3.080 N/A GLY 130.A N LEU 127.A O no hydrogen 3.214 N/A ARG 131.A N ARG 95.A O no hydrogen 3.239 N/A ARG 131.A NH1 GLU 193.A O no hydrogen 2.872 N/A ARG 131.A NH1 VAL 195.A O no hydrogen 3.515 N/A VAL 132.A N ASN 167.A O no hydrogen 2.918 N/A GLY 133.A N VAL 97.A O no hydrogen 2.936 N/A LEU 134.A N GLY 169.A O no hydrogen 3.038 N/A GLU 135.A N ALA 99.A O no hydrogen 2.656 N/A TYR 136.A OH GLU 182.A OE1 no hydrogen 2.602 N/A GLY 138.A N HIS 176.A ND1 no hydrogen 3.028 N/A HIS 140.A NE2 THR 179.A O no hydrogen 3.247 N/A LEU 142.A N PRO 139.A O no hydrogen 3.305 N/A ARG 143.A N HIS 140.A O no hydrogen 2.930 N/A ARG 143.A NH2 GLY 138.A O no hydrogen 2.585 N/A ARG 145.A N SER 104.A OG no hydrogen 3.244 N/A ARG 146.A N ASP 105.A OD1 no hydrogen 2.970 N/A TYR 147.A OH GLU 107.A OE1 no hydrogen 3.384 N/A PHE 149.A N PRO 103.A O no hydrogen 2.805 N/A GLN 151.A N ASP 155.A OD2 no hydrogen 2.898 N/A GLN 151.A NE2 PRO 103.A O no hydrogen 3.008 N/A LEU 153.A N GLU 182.A OE2 no hydrogen 2.844 N/A ASP 155.A N SER 152.A OG no hydrogen 2.975 N/A LEU 156.A N SER 152.A O no hydrogen 2.908 N/A LYS 157.A N LEU 153.A O no hydrogen 2.895 N/A THR 158.A N ALA 154.A O no hydrogen 3.327 N/A THR 158.A OG1 ASP 155.A O no hydrogen 2.699 N/A PHE 159.A N ASP 155.A O no hydrogen 3.090 N/A TRP 160.A N LEU 156.A O no hydrogen 2.991 N/A GLU 161.A N THR 158.A O no hydrogen 3.039 N/A ALA 162.A N PHE 159.A O no hydrogen 2.884 N/A ILE 163.A N PHE 159.A O no hydrogen 3.202 N/A GLY 164.A N TRP 160.A O no hydrogen 3.000 N/A ASN 167.A ND2 ALA 123.A O no hydrogen 3.076 N/A GLY 169.A N VAL 132.A O no hydrogen 2.689 N/A ALA 170.A N LYS 194.A O no hydrogen 2.675 N/A LEU 171.A N LEU 134.A O no hydrogen 3.086 N/A VAL 172.A N TYR 197.A O no hydrogen 2.967 N/A SER 174.A N HIS 199.A O no hydrogen 2.908 N/A SER 174.A OG HIS 199.A O no hydrogen 3.560 N/A SER 174.A OG ASN 201.A O no hydrogen 3.463 N/A SER 174.A OG ASN 201.A OD1 no hydrogen 2.935 N/A TYR 175.A N ASP 173.A OD1 no hydrogen 2.700 N/A TYR 175.A OH HIS 211.A O no hydrogen 2.627 N/A HIS 176.A N ASP 173.A O no hydrogen 3.014 N/A TRP 177.A N ASP 173.A O no hydrogen 3.100 N/A TRP 177.A NE1 HIS 183.A O no hydrogen 3.243 N/A TYR 178.A N SER 174.A O no hydrogen 2.777 N/A TYR 178.A OH ASP 205.A O no hydrogen 2.584 N/A THR 179.A N TYR 175.A O no hydrogen 3.006 N/A THR 179.A OG1 TYR 175.A O no hydrogen 2.702 N/A THR 179.A OG1 HIS 176.A O no hydrogen 3.424 N/A ALA 180.A N HIS 176.A O no hydrogen 2.901 N/A GLY 181.A N TYR 178.A O no hydrogen 2.931 N/A GLU 182.A N TRP 177.A O no hydrogen 3.144 N/A HIS 183.A N ASP 186.A OD2 no hydrogen 2.687 N/A ASP 185.A N HIS 183.A ND1 no hydrogen 3.146 N/A ASP 186.A N HIS 183.A O no hydrogen 2.832 N/A LEU 187.A N GLU 184.A O no hydrogen 3.103 N/A ALA 188.A N GLU 184.A O no hydrogen 3.010 N/A GLN 189.A N ASP 185.A O no hydrogen 3.233 N/A LEU 190.A N LEU 187.A O no hydrogen 3.288 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.745 N/A LYS 194.A N PRO 191.A O no hydrogen 2.761 N/A VAL 195.A N PRO 192.A O no hydrogen 3.219 N/A VAL 196.A N ALA 170.A O no hydrogen 2.933 N/A TYR 197.A OH ASP 31.A OD2 no hydrogen 2.538 N/A HIS 199.A N VAL 172.A O no hydrogen 2.914 N/A HIS 199.A ND1 ASP 173.A OD2 no hydrogen 3.019 N/A ILE 200.A N ALA 242.A O no hydrogen 2.836 N/A ASN 201.A ND2 ASP 173.A OD1 no hydrogen 2.792 N/A ASN 201.A ND2 GLU 244.A O no hydrogen 3.146 N/A ASP 202.A N LEU 216.A O no hydrogen 3.188 N/A THR 203.A N ASP 202.A OD1 no hydrogen 2.939 N/A ARG 204.A NE ASP 220.A O no hydrogen 3.305 N/A ASP 205.A N THR 203.A OG1 no hydrogen 3.361 N/A ASP 209.A N ALA 206.A O no hydrogen 2.788 N/A ALA 210.A N ALA 206.A O no hydrogen 3.027 N/A ASP 212.A N HIS 141.A NE2 no hydrogen 2.992 N/A GLY 213.A N HIS 211.A ND1 no hydrogen 2.967 N/A LYS 214.A N HIS 211.A O no hydrogen 3.080 N/A ARG 215.A N LEU 246.A O no hydrogen 2.926 N/A ARG 215.A NE ASP 212.A O no hydrogen 2.891 N/A ARG 215.A NH1 ASP 173.A OD2 no hydrogen 2.848 N/A ARG 215.A NH1 GLU 244.A O no hydrogen 3.450 N/A ARG 215.A NH2 ASP 212.A OD1 no hydrogen 2.727 N/A LEU 216.A N ASP 202.A O no hydrogen 3.073 N/A GLY 219.A N ASP 202.A OD2 no hydrogen 2.932 N/A ASP 220.A N LEU 217.A O no hydrogen 2.904 N/A ARG 222.A N THR 203.A O no hydrogen 2.953 N/A ARG 222.A NH2 TYR 178.A OH no hydrogen 2.665 N/A ILE 223.A N ASP 202.A OD1 no hydrogen 2.938 N/A PHE 228.A N PRO 224.A O no hydrogen 3.139 N/A LEU 229.A N LEU 225.A O no hydrogen 3.041 N/A ARG 230.A N VAL 226.A O no hydrogen 2.788 N/A ARG 230.A NH1 GLU 184.A OE1 no hydrogen 2.537 N/A ARG 230.A NH1 GLU 184.A OE2 no hydrogen 3.303 N/A GLY 231.A N PRO 227.A O no hydrogen 2.947 N/A LEU 232.A N PHE 228.A O no hydrogen 3.231 N/A TYR 233.A N LEU 229.A O no hydrogen 2.716 N/A LEU 234.A N ARG 230.A O no hydrogen 2.776 N/A ALA 235.A N GLY 231.A O no hydrogen 2.976 N/A GLY 236.A N LEU 232.A O no hydrogen 3.121 N/A GLY 236.A N TYR 233.A O no hydrogen 3.049 N/A TYR 237.A N LEU 232.A O no hydrogen 3.186 N/A TYR 237.A OH PRO 240.A O no hydrogen 2.557 N/A ARG 238.A NH1 TYR 233.A O no hydrogen 2.930 N/A ARG 238.A NH1 TYR 237.A O no hydrogen 2.933 N/A VAL 241.A N GLU 2.A O no hydrogen 2.695 N/A ALA 242.A N VAL 198.A O no hydrogen 3.071 N/A GLU 244.A N ALA 242.A O no hydrogen 3.088 N/A VAL 245.A N THR 8.A OG1 no hydrogen 3.018 N/A HIS 247.A ND1 VAL 245.A O no hydrogen 2.828 N/A THR 254.A N SER 257.A OG no hydrogen 3.350 N/A THR 254.A OG1 SER 257.A OG no hydrogen 3.386 N/A SER 257.A N THR 254.A OG1 no hydrogen 2.968 N/A SER 257.A OG THR 254.A O no hydrogen 3.456 N/A SER 257.A OG THR 254.A OG1 no hydrogen 3.386 N/A ARG 258.A N THR 254.A O no hydrogen 3.115 N/A ARG 258.A NE LEU 9.A O no hydrogen 2.505 N/A ARG 258.A NH1 ASP 252.A O no hydrogen 3.474 N/A ARG 258.A NH2 LEU 9.A O no hydrogen 3.253 N/A ALA 259.A N GLY 255.A O no hydrogen 2.965 N/A ARG 260.A N GLU 256.A O no hydrogen 3.106 N/A ARG 260.A NH2 GLU 256.A OE1 no hydrogen 2.716 N/A LEU 261.A N SER 257.A O no hydrogen 3.000 N/A VAL 262.A N ARG 258.A O no hydrogen 3.070 N/A ARG 263.A N ALA 259.A O no hydrogen 3.184 N/A ARG 263.A NE THR 25.A O no hydrogen 3.036 N/A ARG 263.A NH1 THR 25.A O no hydrogen 3.370 N/A ARG 263.A NH2 GLU 267.A OE1 no hydrogen 3.267 N/A ARG 263.A NH2 GLU 267.A OE2 no hydrogen 3.064 N/A GLU 264.A N ARG 260.A O no hydrogen 3.103 N/A ARG 265.A N LEU 261.A O no hydrogen 2.818 N/A ARG 265.A NH1 PRO 218.A O no hydrogen 2.830 N/A ARG 265.A NH1 ASP 220.A OD1 no hydrogen 2.785 N/A ARG 265.A NH2 ASP 220.A OD1 no hydrogen 2.980 N/A LEU 266.A N VAL 262.A O no hydrogen 2.686 N/A GLU 267.A N ARG 263.A O no hydrogen 2.942 N/A LYS 268.A N GLU 264.A O no hydrogen 3.301 N/A LEU 269.A N ARG 265.A O no hydrogen 2.951 N/A ILE 270.A N LEU 266.A O no hydrogen 2.781 N/A ALA 271.A N GLU 267.A O no hydrogen 3.100 N/A LEU 272.A N LYS 268.A O no hydrogen 3.008 N/A ALA 273.A N LEU 269.A O no hydrogen 3.007 N/A LYS 274.A N ILE 270.A O no hydrogen 3.201 N/A GLY 275.A N ALA 271.A O no hydrogen 3.043 N/A