Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pwv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N VAL 102.A O no hydrogen 3.289 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.831 N/A SER 3.A N ASP 28.A OD1 no hydrogen 3.005 N/A LEU 4.A N CYS 100.A O no hydrogen 2.889 N/A ARG 5.A N TYR 26.A O no hydrogen 2.886 N/A ARG 5.A NE SER 3.A OG no hydrogen 2.938 N/A TYR 6.A N TYR 98.A O no hydrogen 2.854 N/A PHE 7.A N VAL 24.A O no hydrogen 3.050 N/A TYR 8.A N GLU 96.A O no hydrogen 2.871 N/A THR 9.A N ILE 22.A O no hydrogen 2.924 N/A ALA 10.A N PHE 94.A O no hydrogen 2.914 N/A VAL 11.A N ARG 20.A O no hydrogen 2.903 N/A SER 12.A N HIS 92.A O no hydrogen 2.947 N/A SER 12.A OG HIS 92.A O no hydrogen 3.390 N/A ARG 13.A NE GLU 18.A O no hydrogen 2.792 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 2.912 N/A ARG 13.A NH2 GLU 18.A O no hydrogen 3.075 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 2.740 N/A ARG 13.A NH2 ASP 38.A OD2 no hydrogen 3.332 N/A LEU 16.A N ARG 13.A O no hydrogen 2.804 N/A ARG 20.A N VAL 11.A O no hydrogen 3.100 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 3.063 N/A ARG 20.A NH2 ASP 36.A OD1 no hydrogen 3.545 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.726 N/A PHE 21.A N SER 37.A OG no hydrogen 2.745 N/A ILE 22.A N THR 9.A O no hydrogen 2.850 N/A ALA 23.A N PHE 35.A O no hydrogen 2.894 N/A VAL 24.A N PHE 7.A O no hydrogen 3.056 N/A GLY 25.A N THR 33.A O no hydrogen 3.008 N/A TYR 26.A N ARG 5.A O no hydrogen 2.845 N/A VAL 27.A N THR 30.A O no hydrogen 3.020 N/A ASP 28.A N SER 3.A O no hydrogen 3.135 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.650 N/A GLN 31.A NE2 THR 33.A O no hydrogen 3.121 N/A PHE 32.A N GLY 25.A O no hydrogen 2.858 N/A ARG 34.A N GLU 45.A O no hydrogen 3.035 N/A ARG 34.A NH1 ARG 34.A O no hydrogen 3.040 N/A PHE 35.A N ALA 23.A O no hydrogen 2.736 N/A SER 37.A N PHE 21.A O no hydrogen 2.891 N/A SER 37.A OG PHE 21.A O no hydrogen 3.502 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.817 N/A ALA 39.A N ASP 36.A O no hydrogen 3.125 N/A ASP 44.A N THR 63.A OG1 no hydrogen 3.127 N/A GLU 45.A N ARG 34.A O no hydrogen 2.981 N/A ARG 47.A N PHE 32.A O no hydrogen 2.796 N/A ARG 47.A NH1 GLU 45.A OE2 no hydrogen 3.235 N/A MET 51.A N VAL 48.A O no hydrogen 3.246 N/A GLU 52.A N PRO 49.A O no hydrogen 3.016 N/A GLN 53.A NE2 TRP 50.A O no hydrogen 3.237 N/A GLN 53.A NE2 ASN 173.A O no hydrogen 3.296 N/A GLU 54.A N MET 51.A O no hydrogen 3.004 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.578 N/A TRP 59.A N GLY 55.A O no hydrogen 3.347 N/A ASP 60.A N PRO 56.A O no hydrogen 2.815 N/A ARG 61.A N GLU 57.A O no hydrogen 3.055 N/A ASN 62.A N TYR 58.A O no hydrogen 3.284 N/A THR 63.A N TRP 59.A O no hydrogen 2.938 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.966 N/A ARG 64.A N ASP 60.A O no hydrogen 3.149 N/A ILE 65.A N ARG 61.A O no hydrogen 3.009 N/A TYR 66.A N ASN 62.A O no hydrogen 2.744 N/A LYS 67.A N THR 63.A O no hydrogen 2.898 N/A ASP 68.A N ARG 64.A O no hydrogen 3.110 N/A THR 69.A N ILE 65.A O no hydrogen 2.839 N/A THR 69.A OG1 ILE 65.A O no hydrogen 2.963 N/A ALA 70.A N TYR 66.A O no hydrogen 2.838 N/A GLN 71.A N LYS 67.A O no hydrogen 3.197 N/A ILE 72.A N ASP 68.A O no hydrogen 3.004 N/A PHE 73.A N THR 69.A O no hydrogen 2.947 N/A ARG 74.A N ALA 70.A O no hydrogen 3.145 N/A ARG 74.A NE PRO 19.A O no hydrogen 2.804 N/A ARG 74.A NH2 PRO 19.A O no hydrogen 3.146 N/A ALA 75.A N GLN 71.A O no hydrogen 2.916 N/A ASN 76.A N ILE 72.A O no hydrogen 2.770 N/A LEU 77.A N PHE 73.A O no hydrogen 2.937 N/A ASN 78.A N ARG 74.A O no hydrogen 3.107 N/A THR 79.A N ALA 75.A O no hydrogen 2.757 N/A THR 79.A OG1 ALA 75.A O no hydrogen 3.307 N/A ALA 80.A N ASN 76.A O no hydrogen 2.839 N/A LEU 81.A N LEU 77.A O no hydrogen 3.268 N/A GLY 82.A N ASN 78.A O no hydrogen 3.436 N/A TYR 83.A N THR 79.A O no hydrogen 2.998 N/A TYR 84.A N ALA 80.A O no hydrogen 2.945 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.653 N/A ASN 85.A N GLY 82.A O no hydrogen 3.439 N/A GLN 86.A N LEU 81.A O no hydrogen 3.012 N/A ALA 89.A N SER 87.A OG no hydrogen 2.800 N/A SER 91.A OG SER 12.A O no hydrogen 2.591 N/A HIS 92.A N SER 12.A OG no hydrogen 2.626 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.713 N/A THR 93.A N ASP 118.A OD1 no hydrogen 2.771 N/A PHE 94.A N ALA 10.A O no hydrogen 3.040 N/A GLN 95.A N ALA 116.A O no hydrogen 2.931 N/A GLU 96.A N TYR 8.A O no hydrogen 3.000 N/A MET 97.A N GLN 114.A O no hydrogen 2.811 N/A TYR 98.A N TYR 6.A O no hydrogen 3.275 N/A TYR 98.A OH TYR 8.A OH no hydrogen 2.723 N/A GLY 99.A N PHE 112.A O no hydrogen 2.865 N/A CYS 100.A N LEU 4.A O no hydrogen 2.908 N/A TYR 101.A N LEU 110.A O no hydrogen 2.773 N/A VAL 102.A N HIS 2.A O no hydrogen 2.678 N/A GLY 103.A N ARG 107.A O no hydrogen 2.907 N/A GLY 106.A N GLY 103.A O no hydrogen 2.618 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.775 N/A LEU 109.A N TYR 101.A O no hydrogen 2.721 N/A LEU 110.A N TYR 101.A O no hydrogen 3.315 N/A PHE 112.A N GLY 99.A O no hydrogen 3.085 N/A GLN 114.A N MET 97.A O no hydrogen 2.616 N/A PHE 115.A N ILE 123.A O no hydrogen 2.829 N/A ALA 116.A N GLN 95.A O no hydrogen 2.815 N/A TYR 117.A N ARG 120.A O no hydrogen 3.037 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.933 N/A ASP 118.A N THR 93.A O no hydrogen 2.790 N/A ARG 120.A N TYR 117.A O no hydrogen 3.240 N/A TYR 122.A N PHE 115.A O no hydrogen 2.846 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.601 N/A ALA 124.A N THR 133.A O no hydrogen 3.096 N/A LEU 125.A N MET 113.A O no hydrogen 2.814 N/A ASN 126.A N SER 131.A O no hydrogen 2.793 N/A ASN 126.A ND2 SER 131.A OG no hydrogen 2.681 N/A LEU 129.A N ASN 126.A O no hydrogen 2.808 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 2.889 N/A SER 131.A OG ASP 128.A OD1 no hydrogen 2.967 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 3.370 N/A THR 133.A N ALA 124.A O no hydrogen 2.858 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.569 N/A ALA 135.A N TYR 122.A O no hydrogen 2.885 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.938 N/A GLN 140.A N THR 137.A O no hydrogen 3.075 N/A ILE 141.A N ALA 138.A O no hydrogen 2.828 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.601 N/A LYS 143.A N ALA 139.A O no hydrogen 2.799 N/A LYS 143.A NZ TRP 132.A O no hydrogen 3.270 N/A ARG 144.A N GLN 140.A O no hydrogen 3.119 N/A LYS 145.A N ILE 141.A O no hydrogen 3.273 N/A TRP 146.A N THR 142.A O no hydrogen 2.966 N/A GLU 147.A N LYS 143.A O no hydrogen 3.073 N/A ALA 148.A N ARG 144.A O no hydrogen 3.076 N/A ALA 149.A N TRP 146.A O no hydrogen 3.267 N/A GLY 150.A N GLU 147.A O no hydrogen 2.948 N/A GLU 151.A N TRP 146.A O no hydrogen 2.860 N/A ARG 154.A NE GLU 151.A OE1 no hydrogen 2.746 N/A ARG 154.A NH2 GLU 151.A OE1 no hydrogen 3.343 N/A GLN 155.A N GLU 151.A O no hydrogen 3.015 N/A ARG 156.A N ALA 152.A O no hydrogen 2.777 N/A ARG 156.A NE LEU 129.A O no hydrogen 3.315 N/A ASN 157.A N GLU 153.A O no hydrogen 2.779 N/A TYR 158.A N ARG 154.A O no hydrogen 3.062 N/A LEU 159.A N GLN 155.A O no hydrogen 3.103 N/A GLU 160.A N ARG 156.A O no hydrogen 2.909 N/A GLY 161.A N ASN 157.A O no hydrogen 2.948 N/A CYS 163.A N TYR 158.A O no hydrogen 2.780 N/A GLU 165.A N GLY 161.A O no hydrogen 3.048 N/A GLY 166.A N ARG 162.A O no hydrogen 3.027 N/A LEU 167.A N CYS 163.A O no hydrogen 2.975 N/A ARG 168.A N VAL 164.A O no hydrogen 2.963 N/A ARG 168.A NH1 GLU 165.A OE2 no hydrogen 2.601 N/A ARG 169.A N GLU 165.A O no hydrogen 3.129 N/A TYR 170.A N GLY 166.A O no hydrogen 2.848 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.578 N/A LEU 171.A N LEU 167.A O no hydrogen 2.843 N/A GLU 172.A N ARG 168.A O no hydrogen 2.965 N/A ASN 173.A N ARG 169.A O no hydrogen 2.941 N/A ASN 173.A ND2 GLU 54.A OE2 no hydrogen 3.009 N/A GLY 174.A N TYR 170.A O no hydrogen 3.016 N/A LYS 175.A N GLU 172.A O no hydrogen 3.186 N/A THR 177.A N GLY 174.A O no hydrogen 3.259 N/A LEU 178.A N GLY 174.A O no hydrogen 2.907 N/A LYS 185.A N LEU 205.A O no hydrogen 3.040 N/A HIS 187.A N TRP 203.A O no hydrogen 3.266 N/A THR 189.A N ARG 201.A O no hydrogen 2.822 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 2.640 N/A HIS 190.A NE2 GLU 253.A OE1 no hydrogen 3.116 N/A HIS 191.A N THR 199.A O no hydrogen 2.916 N/A HIS 191.A NE2 THR 189.A OG1 no hydrogen 2.640 N/A ILE 193.A N GLU 197.A O no hydrogen 2.954 N/A SER 194.A N GLU 197.A O no hydrogen 3.138 N/A SER 194.A OG GLU 197.A OE1 no hydrogen 3.494 N/A ARG 196.A N SER 194.A OG no hydrogen 3.015 N/A GLU 197.A N SER 194.A OG no hydrogen 3.129 N/A VAL 198.A N VAL 248.A O no hydrogen 2.720 N/A THR 199.A N HIS 191.A O no hydrogen 2.858 N/A LEU 200.A N LEU 246.A O no hydrogen 3.092 N/A ARG 201.A N THR 189.A O no hydrogen 2.925 N/A CYS 202.A N ALA 244.A O no hydrogen 2.787 N/A TRP 203.A N HIS 187.A O no hydrogen 2.820 N/A TRP 203.A NE1 THR 189.A OG1 no hydrogen 3.012 N/A ALA 204.A N LYS 242.A O no hydrogen 2.805 N/A LEU 205.A N LYS 185.A O no hydrogen 3.259 N/A PHE 207.A N PHE 240.A O no hydrogen 3.316 N/A TYR 208.A N ASP 182.A O no hydrogen 3.057 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.650 N/A GLU 210.A N ASP 29.A OD2 no hydrogen 2.603 N/A SER 213.A N GLN 261.A O no hydrogen 3.133 N/A THR 215.A N ARG 259.A O no hydrogen 3.179 N/A THR 215.A OG1 ARG 259.A O no hydrogen 3.479 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 2.855 N/A GLN 217.A N THR 257.A O no hydrogen 2.829 N/A HIS 218.A N GLU 221.A O no hydrogen 2.985 N/A HIS 218.A ND1 HIS 218.A O no hydrogen 2.658 N/A GLN 223.A N TRP 216.A O no hydrogen 2.843 N/A GLN 223.A NE2 GLU 221.A O no hydrogen 2.567 N/A THR 224.A OG1 ASP 222.A OD2 no hydrogen 3.203 N/A GLU 228.A N ALA 245.A O no hydrogen 2.959 N/A VAL 230.A N TRP 243.A O no hydrogen 3.471 N/A ARG 233.A N GLN 241.A O no hydrogen 2.939 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.998 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 2.998 N/A SER 235.A N THR 239.A O no hydrogen 2.712 N/A SER 235.A OG THR 239.A OG1 no hydrogen 2.851 N/A THR 239.A N ASP 237.A OD1 no hydrogen 2.874 N/A THR 239.A OG1 SER 235.A OG no hydrogen 2.851 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.407 N/A THR 239.A OG1 ASP 237.A OD2 no hydrogen 3.411 N/A PHE 240.A N PHE 207.A O no hydrogen 2.874 N/A GLN 241.A N ARG 233.A O no hydrogen 2.779 N/A LYS 242.A N ALA 204.A O no hydrogen 2.954 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.761 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.031 N/A ALA 244.A N CYS 202.A O no hydrogen 2.969 N/A ALA 245.A N GLU 228.A O no hydrogen 3.086 N/A LEU 246.A N LEU 200.A O no hydrogen 2.905 N/A VAL 248.A N VAL 198.A O no hydrogen 2.821 N/A SER 250.A N ARG 196.A O no hydrogen 2.963 N/A SER 250.A OG ASP 195.A O no hydrogen 3.009 N/A GLY 251.A N GLU 253.A OE2 no hydrogen 2.926 N/A GLU 252.A N PRO 249.A O no hydrogen 2.987 N/A GLN 254.A NE2 TRP 273.A O no hydrogen 2.885 N/A ARG 255.A N GLU 252.A O no hydrogen 2.967 N/A ARG 255.A NH1 GLU 219.A OE2 no hydrogen 2.908 N/A TYR 256.A N GLU 253.A O no hydrogen 3.050 N/A THR 257.A N GLN 217.A O no hydrogen 2.943 N/A CYS 258.A N LEU 271.A O no hydrogen 3.016 N/A ARG 259.A N THR 215.A O no hydrogen 2.735 N/A VAL 260.A N LEU 269.A O no hydrogen 2.829 N/A GLN 261.A N SER 213.A O no hydrogen 3.176 N/A LEU 265.A N HIS 262.A O no hydrogen 2.761 N/A LEU 269.A N VAL 260.A O no hydrogen 2.517 N/A LEU 271.A N CYS 258.A O no hydrogen 2.937 N/A ARG 272.A NE GLU 274.A OE1 no hydrogen 3.490 N/A ARG 272.A NH1 GLN 254.A O no hydrogen 2.759 N/A