Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2d31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 29.A OD1 no hydrogen 2.949 N/A SER 4.A OG ASP 102.A OD1 no hydrogen 3.256 N/A MET 5.A N CYS 101.A O no hydrogen 3.107 N/A ARG 6.A N TYR 27.A O no hydrogen 2.914 N/A ARG 6.A NH1 ASP 102.A OD2 no hydrogen 2.793 N/A TYR 7.A N ILE 99.A O no hydrogen 2.935 N/A PHE 8.A N MET 25.A O no hydrogen 2.751 N/A SER 9.A N TRP 97.A O no hydrogen 2.830 N/A ALA 10.A N ILE 23.A O no hydrogen 2.891 N/A ALA 11.A N LEU 95.A O no hydrogen 2.709 N/A VAL 12.A N ARG 21.A O no hydrogen 3.182 N/A SER 13.A N HIS 93.A O no hydrogen 2.688 N/A ARG 14.A NE GLU 19.A O no hydrogen 3.242 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.794 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 2.953 N/A ARG 21.A N VAL 12.A O no hydrogen 3.007 N/A PHE 22.A N SER 38.A OG no hydrogen 3.035 N/A ILE 23.A N ALA 10.A O no hydrogen 3.166 N/A ALA 24.A N PHE 36.A O no hydrogen 3.142 N/A MET 25.A N PHE 8.A O no hydrogen 2.736 N/A GLY 26.A N VAL 34.A O no hydrogen 3.139 N/A TYR 27.A N ARG 6.A O no hydrogen 2.735 N/A VAL 28.A N THR 31.A O no hydrogen 3.032 N/A ASP 29.A N SER 4.A O no hydrogen 2.761 N/A THR 31.A N VAL 28.A O no hydrogen 2.950 N/A THR 31.A OG1 TYR 206.A OH no hydrogen 2.728 N/A PHE 33.A N GLY 26.A O no hydrogen 2.968 N/A ARG 35.A N GLU 46.A O no hydrogen 3.066 N/A PHE 36.A N ALA 24.A O no hydrogen 2.706 N/A SER 38.A N PHE 22.A O no hydrogen 3.078 N/A ASP 39.A N ASP 37.A OD2 no hydrogen 2.630 N/A SER 40.A N ASP 37.A O no hydrogen 3.146 N/A SER 40.A OG ASP 37.A O no hydrogen 2.456 N/A MET 45.A N THR 64.A OG1 no hydrogen 2.723 N/A GLU 46.A N ARG 35.A O no hydrogen 3.293 N/A ARG 48.A N PHE 33.A O no hydrogen 2.880 N/A VAL 52.A N ALA 49.A O no hydrogen 3.038 N/A GLU 55.A N VAL 52.A O no hydrogen 2.830 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.494 N/A TRP 60.A N GLY 56.A O no hydrogen 3.201 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.112 N/A GLU 61.A N PRO 57.A O no hydrogen 2.667 N/A GLU 62.A N GLU 58.A O no hydrogen 2.996 N/A GLU 63.A N TYR 59.A O no hydrogen 2.846 N/A THR 64.A N TRP 60.A O no hydrogen 2.789 N/A ARG 65.A N GLU 61.A O no hydrogen 2.909 N/A ARG 65.A NE GLU 62.A OE2 no hydrogen 2.519 N/A ARG 65.A NH1 GLU 62.A OE2 no hydrogen 2.982 N/A ASN 66.A N GLU 62.A O no hydrogen 2.788 N/A THR 67.A N GLU 63.A O no hydrogen 2.919 N/A LYS 68.A N THR 64.A O no hydrogen 2.908 N/A ALA 69.A N ASN 66.A O no hydrogen 2.930 N/A HIS 70.A N ASN 66.A O no hydrogen 3.101 N/A HIS 70.A N THR 67.A O no hydrogen 2.893 N/A ALA 71.A N THR 67.A O no hydrogen 3.179 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.829 N/A THR 73.A OG1 HIS 70.A O no hydrogen 3.551 N/A ASP 74.A N HIS 70.A O no hydrogen 3.034 N/A ARG 75.A N ALA 71.A O no hydrogen 2.837 N/A MET 76.A N GLN 72.A O no hydrogen 3.114 N/A ASN 77.A N THR 73.A O no hydrogen 2.523 N/A ASN 77.A ND2 ASP 74.A OD1 no hydrogen 3.411 N/A LEU 78.A N ASP 74.A O no hydrogen 2.807 N/A GLN 79.A NE2 ARG 75.A O no hydrogen 3.192 N/A THR 80.A N MET 76.A O no hydrogen 3.274 N/A THR 80.A OG1 MET 76.A O no hydrogen 3.111 N/A LEU 81.A N ASN 77.A O no hydrogen 2.861 N/A ARG 82.A N LEU 78.A O no hydrogen 2.864 N/A ARG 82.A NH1 GLU 89.A OE1 no hydrogen 3.415 N/A ARG 82.A NH2 GLN 87.A O no hydrogen 2.518 N/A ARG 82.A NH2 GLU 89.A OE1 no hydrogen 3.455 N/A GLY 83.A N GLN 79.A O no hydrogen 2.882 N/A GLY 83.A N THR 80.A O no hydrogen 3.097 N/A TYR 84.A N THR 80.A O no hydrogen 3.076 N/A TYR 85.A N LEU 81.A O no hydrogen 3.453 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.102 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.909 N/A ASN 86.A ND2 GLY 83.A O no hydrogen 2.932 N/A GLN 87.A N ARG 82.A O no hydrogen 2.821 N/A SER 91.A OG SER 92.A O no hydrogen 3.414 N/A SER 92.A OG SER 13.A O no hydrogen 3.040 N/A HIS 93.A N SER 13.A OG no hydrogen 3.241 N/A THR 94.A N ASP 119.A OD2 no hydrogen 2.852 N/A LEU 95.A N ALA 11.A O no hydrogen 2.652 N/A GLN 96.A N ALA 117.A O no hydrogen 2.798 N/A TRP 97.A N SER 9.A O no hydrogen 2.939 N/A TRP 97.A NE1 GLU 114.A OE1 no hydrogen 2.665 N/A MET 98.A N GLN 115.A O no hydrogen 2.901 N/A ILE 99.A N TYR 7.A O no hydrogen 3.048 N/A GLY 100.A N TYR 113.A O no hydrogen 2.771 N/A CYS 101.A N MET 5.A O no hydrogen 3.159 N/A ASP 102.A N ARG 111.A O no hydrogen 2.699 N/A LEU 103.A N HIS 3.A O no hydrogen 2.942 N/A GLY 104.A N ARG 108.A O no hydrogen 3.002 N/A LEU 110.A N ASP 102.A O no hydrogen 2.551 N/A ARG 111.A N ASP 102.A O no hydrogen 3.338 N/A TYR 113.A N GLY 100.A O no hydrogen 2.902 N/A GLN 115.A N MET 98.A O no hydrogen 2.810 N/A TYR 116.A N LEU 124.A O no hydrogen 2.779 N/A ALA 117.A N GLN 96.A O no hydrogen 2.740 N/A TYR 118.A N LYS 121.A O no hydrogen 3.035 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.856 N/A ASP 119.A N THR 94.A O no hydrogen 2.716 N/A LYS 121.A N ASP 119.A O no hydrogen 2.927 N/A TYR 123.A OH SER 143.A OG no hydrogen 3.300 N/A ALA 125.A N THR 134.A O no hydrogen 3.117 N/A LEU 126.A N GLU 114.A O no hydrogen 2.756 N/A ASN 127.A N SER 132.A O no hydrogen 2.724 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.827 N/A LEU 130.A N ASN 127.A O no hydrogen 2.818 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.948 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.914 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.132 N/A THR 134.A N ALA 125.A O no hydrogen 2.992 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 3.296 N/A ALA 136.A N TYR 123.A O no hydrogen 2.610 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 3.304 N/A GLN 141.A N ASP 137.A O no hydrogen 2.779 N/A ILE 142.A N THR 138.A O no hydrogen 3.262 N/A ILE 142.A N ALA 139.A O no hydrogen 3.106 N/A SER 143.A OG TYR 123.A OH no hydrogen 3.300 N/A LYS 144.A N ALA 140.A O no hydrogen 2.978 N/A LYS 144.A NZ GLN 141.A OE1 no hydrogen 2.726 N/A ARG 145.A N ILE 142.A O no hydrogen 3.299 N/A LYS 146.A N ILE 142.A O no hydrogen 3.304 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 2.870 N/A CYS 147.A N SER 143.A O no hydrogen 2.888 N/A CYS 147.A SG SER 143.A O no hydrogen 3.241 N/A GLU 148.A N LYS 144.A O no hydrogen 2.821 N/A ALA 149.A N ARG 145.A O no hydrogen 2.752 N/A ALA 150.A N LYS 146.A O no hydrogen 2.869 N/A ASN 151.A N GLU 148.A O no hydrogen 3.297 N/A VAL 152.A N CYS 147.A O no hydrogen 3.121 N/A ARG 156.A N VAL 152.A O no hydrogen 3.253 N/A ARG 156.A NH2 GLU 114.A OE2 no hydrogen 3.202 N/A ARG 157.A N ALA 153.A O no hydrogen 2.758 N/A ARG 157.A NH1 GLU 154.A OE1 no hydrogen 3.062 N/A ARG 157.A NH2 LEU 130.A O no hydrogen 2.878 N/A ALA 158.A N GLU 154.A O no hydrogen 2.520 N/A TYR 159.A N GLN 155.A O no hydrogen 3.413 N/A LEU 160.A N ARG 156.A O no hydrogen 3.183 N/A GLU 161.A N ARG 157.A O no hydrogen 2.772 N/A GLY 162.A N ALA 158.A O no hydrogen 2.718 N/A CYS 164.A N TYR 159.A O no hydrogen 2.820 N/A GLU 166.A N GLY 162.A O no hydrogen 2.979 N/A TRP 167.A N THR 163.A O no hydrogen 2.823 N/A LEU 168.A N CYS 164.A O no hydrogen 2.875 N/A HIS 169.A N VAL 165.A O no hydrogen 2.951 N/A HIS 169.A ND1 VAL 165.A O no hydrogen 3.121 N/A ARG 170.A N GLU 166.A O no hydrogen 3.077 N/A TYR 171.A N TRP 167.A O no hydrogen 2.837 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.494 N/A LEU 172.A N LEU 168.A O no hydrogen 2.878 N/A GLU 173.A N HIS 169.A O no hydrogen 2.790 N/A ASN 174.A N ARG 170.A O no hydrogen 2.932 N/A GLY 175.A N LEU 172.A O no hydrogen 3.196 N/A LYS 176.A N GLU 173.A O no hydrogen 2.763 N/A MET 178.A N GLY 175.A O no hydrogen 3.139 N/A MET 178.A N GLU 177.A OE1 no hydrogen 2.657 N/A LEU 179.A N GLY 175.A O no hydrogen 2.695 N/A GLN 180.A N LYS 176.A O no hydrogen 3.061 N/A GLN 180.A NE2 LEU 172.A O no hydrogen 3.314 N/A LYS 186.A N LEU 203.A O no hydrogen 2.863 N/A HIS 188.A N TRP 201.A O no hydrogen 3.289 N/A THR 190.A N ARG 199.A O no hydrogen 2.880 N/A THR 190.A OG1 ARG 199.A O no hydrogen 3.519 N/A ALA 196.A N VAL 246.A O no hydrogen 2.725 N/A THR 197.A N HIS 192.A O no hydrogen 3.331 N/A ARG 199.A N THR 190.A O no hydrogen 3.072 N/A CYS 200.A N ALA 242.A O no hydrogen 2.899 N/A TRP 201.A N HIS 188.A O no hydrogen 3.064 N/A ALA 202.A N LYS 240.A O no hydrogen 3.133 N/A TYR 206.A N ASP 183.A O no hydrogen 2.936 N/A TYR 206.A OH THR 31.A OG1 no hydrogen 2.728 N/A ALA 208.A N ASP 30.A OD1 no hydrogen 3.216 N/A THR 213.A OG1 HIS 257.A O no hydrogen 2.495 N/A TRP 214.A NE1 ALA 242.A O no hydrogen 2.914 N/A GLN 215.A N THR 255.A O no hydrogen 2.732 N/A GLN 215.A NE2 ASP 220.A OD1 no hydrogen 3.128 N/A GLU 226.A N ALA 243.A O no hydrogen 2.953 N/A ARG 231.A N GLN 239.A O no hydrogen 2.915 N/A ALA 233.A N THR 237.A O no hydrogen 3.275 N/A THR 237.A N ASP 235.A OD1 no hydrogen 3.361 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.588 N/A PHE 238.A N PHE 205.A O no hydrogen 3.029 N/A GLN 239.A N ARG 231.A O no hydrogen 2.851 N/A LYS 240.A N ALA 202.A O no hydrogen 3.149 N/A LYS 240.A NZ VAL 228.A O no hydrogen 2.655 N/A ALA 242.A N CYS 200.A O no hydrogen 3.360 N/A VAL 244.A N LEU 198.A O no hydrogen 2.862 N/A VAL 246.A N ALA 196.A O no hydrogen 2.671 N/A TYR 254.A N GLU 251.A O no hydrogen 3.299 N/A THR 255.A N GLN 215.A O no hydrogen 3.281 N/A THR 255.A OG1 LEU 267.A O no hydrogen 3.041 N/A HIS 257.A N THR 213.A O no hydrogen 2.657 N/A VAL 258.A N LEU 265.A O no hydrogen 2.987 N/A HIS 260.A NE2 PRO 207.A O no hydrogen 2.824 N/A GLY 262.A N HIS 260.A O no hydrogen 2.562 N/A LEU 267.A N CYS 256.A O no hydrogen 3.284 N/A