Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1whs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N HIS 1.A O no hydrogen 2.642 N/A ARG 5.A N ALA 2.A O no hydrogen 3.375 N/A ILE 6.A N MET 19.A O no hydrogen 3.010 N/A ARG 8.A NH1 GLN 12.A O no hydrogen 2.281 N/A GLN 12.A N LEU 9.A O no hydrogen 2.958 N/A TYR 20.A N LEU 38.A O no hydrogen 2.840 N/A SER 21.A N ASP 4.A O no hydrogen 2.944 N/A ILE 24.A N LEU 34.A O no hydrogen 2.913 N/A VAL 26.A N ARG 32.A O no hydrogen 2.813 N/A ALA 30.A N ASP 27A.A OD2 no hydrogen 2.613 N/A GLY 31.A N ASP 27A.A O no hydrogen 2.663 N/A ARG 32.A N ASP 27A.A O no hydrogen 2.846 N/A ARG 32.A NE ASP 127.A OD2 no hydrogen 2.775 N/A ARG 32.A NH1 ASP 115.A OD2 no hydrogen 2.864 N/A ARG 32.A NH2 ASP 127.A OD1 no hydrogen 3.193 N/A ARG 32.A NH2 ASP 127.A OD2 no hydrogen 3.502 N/A SER 33.A N TYR 109.A O no hydrogen 2.898 N/A SER 33.A OG ILE 24.A O no hydrogen 3.367 N/A LEU 34.A N ILE 24.A O no hydrogen 2.831 N/A PHE 35.A N SER 108.A OG no hydrogen 2.986 N/A TYR 36.A N GLY 22.A O no hydrogen 3.075 N/A TYR 36.A OH ASP 4.A OD2 no hydrogen 2.776 N/A LEU 37.A N PHE 98.A O no hydrogen 2.797 N/A LEU 38.A N TYR 20.A O no hydrogen 2.744 N/A GLN 39.A N VAL 96.A O no hydrogen 2.790 N/A GLU 40.A N ASP 18.A O no hydrogen 2.953 N/A ALA 41.A N ASN 95.A OD1 no hydrogen 3.083 N/A ALA 45.A N PRO 42.A O no hydrogen 2.706 N/A GLN 46.A N GLU 43.A O no hydrogen 3.082 N/A GLN 46.A NE2 ALA 41.A O no hydrogen 2.762 N/A GLN 46.A NE2 ASN 95.A OD1 no hydrogen 2.691 N/A ALA 48.A N GLN 46.A OE1 no hydrogen 2.598 N/A LEU 50.A N ASP 146.A O no hydrogen 2.925 N/A VAL 51.A N ASN 95.A O no hydrogen 2.700 N/A LEU 52.A N TYR 148.A O no hydrogen 2.841 N/A TRP 53.A N LEU 97.A O no hydrogen 2.782 N/A TRP 53.A NE1 ASN 55.A OD1 no hydrogen 2.965 N/A LEU 54.A N ALA 150.A O no hydrogen 2.892 N/A ASN 55.A N SER 62.A OG no hydrogen 3.224 N/A ASN 55.A ND2 GLU 70.A OE1 no hydrogen 3.305 N/A CYS 60.A N GLY 56.A O no hydrogen 2.804 N/A SER 61.A OG ASP 100.A OD1 no hydrogen 2.697 N/A SER 62.A OG TRP 53.A O no hydrogen 3.524 N/A SER 62.A OG LEU 99.A O no hydrogen 2.604 N/A ALA 64.A N SER 61.A OG no hydrogen 2.888 N/A TYR 65.A N SER 61.A O no hydrogen 3.064 N/A GLY 66.A N ASN 55.A OD1 no hydrogen 2.642 N/A ALA 67.A N SER 62.A O no hydrogen 2.863 N/A SER 68.A OG VAL 63A.A O no hydrogen 2.462 N/A GLU 69.A N TYR 65.A O no hydrogen 2.654 N/A GLY 72.A N GLY 66.A O no hydrogen 2.976 N/A ALA 73.A N GLN 39.A OE1 no hydrogen 2.838 N/A ARG 75.A N VAL 84.A O no hydrogen 2.625 N/A ARG 75.A NH2 GLU 70.A O no hydrogen 2.603 N/A LYS 77.A N GLY 82A.A O no hydrogen 2.633 N/A ALA 81.A N PRO 78.A O no hydrogen 3.294 N/A LEU 83.A N GLY 11.A O no hydrogen 3.056 N/A VAL 84.A N ARG 75.A O no hydrogen 2.837 N/A ASN 86.A N ALA 73.A O no hydrogen 2.648 N/A ASN 86.A ND2 GLY 72.A O no hydrogen 2.971 N/A TYR 88.A N ASN 86.A OD1 no hydrogen 2.852 N/A ARG 89.A N ASN 86.A O no hydrogen 2.941 N/A ARG 89.A NH1 ASN 86.A O no hydrogen 2.607 N/A TRP 90.A N LEU 71.A O no hydrogen 2.893 N/A ASN 91.A ND2 GLU 40.A O no hydrogen 2.973 N/A LYS 92.A N ARG 89.A O no hydrogen 3.067 N/A LYS 92.A NZ GLU 87.A O no hydrogen 3.479 N/A VAL 93.A N TRP 90.A O no hydrogen 2.918 N/A ALA 94.A N TRP 90.A O no hydrogen 3.154 N/A ASN 95.A N PRO 49.A O no hydrogen 2.694 N/A ASN 95.A ND2 GLN 46.A OE1 no hydrogen 2.945 N/A ASN 95.A ND2 ALA 48.A O no hydrogen 2.684 N/A ASN 95.A ND2 PRO 49.A O no hydrogen 3.206 N/A VAL 96.A N GLN 39.A O no hydrogen 2.809 N/A LEU 97.A N VAL 51.A O no hydrogen 2.775 N/A PHE 98.A N LEU 37.A O no hydrogen 2.731 N/A LEU 99.A N TRP 53.A O no hydrogen 3.525 N/A ASP 100.A N PHE 35.A O no hydrogen 3.111 N/A GLY 104.A N SER 108.A O no hydrogen 3.144 N/A VAL 105.A N PRO 102.A O no hydrogen 2.842 N/A PHE 107.A N ASP 100.A OD2 no hydrogen 2.932 N/A SER 108.A N VAL 105.A O no hydrogen 2.982 N/A SER 108.A OG ASP 100.A O no hydrogen 2.607 N/A SER 108.A OG VAL 105.A O no hydrogen 3.412 N/A TYR 109.A N SER 33.A O no hydrogen 2.754 N/A THR 110.A OG1 THR 112.A O no hydrogen 3.131 N/A THR 110.A OG1 ASP 115.A OD2 no hydrogen 2.337 N/A THR 112.A N THR 110.A OG1 no hydrogen 3.250 N/A THR 112.A OG1 ALA 30.A O no hydrogen 2.747 N/A ASP 115.A N THR 112.A O no hydrogen 2.851 N/A TYR 117.A N SER 114.A O no hydrogen 2.731 N/A THR 118.A N ASP 115.A O no hydrogen 3.111 N/A THR 118.A OG1 SER 114.A O no hydrogen 2.639 N/A THR 118.A OG1 ASP 115.A O no hydrogen 3.151 N/A ARG 123.A NH1 ASP 115.A O no hydrogen 2.846 N/A THR 124.A N GLY 120B.A O no hydrogen 3.088 N/A THR 124.A OG1 GLY 120B.A O no hydrogen 2.664 N/A ALA 125.A N ASP 121C.A O no hydrogen 2.895 N/A HIS 126.A N ASN 122.A O no hydrogen 2.803 N/A ASP 127.A N ARG 123.A O no hydrogen 2.681 N/A SER 128.A N THR 124.A O no hydrogen 3.165 N/A SER 128.A OG THR 124.A O no hydrogen 2.937 N/A TYR 129.A N ALA 125.A O no hydrogen 3.030 N/A ALA 130.A N HIS 126.A O no hydrogen 3.074 N/A PHE 131.A N ASP 127.A O no hydrogen 2.790 N/A LEU 132.A N SER 128.A O no hydrogen 2.842 N/A ALA 133.A N TYR 129.A O no hydrogen 2.942 N/A LYS 134.A N ALA 130.A O no hydrogen 2.999 N/A TRP 135.A N PHE 131.A O no hydrogen 2.728 N/A PHE 136.A N LEU 132.A O no hydrogen 2.960 N/A GLU 137.A N ALA 133.A O no hydrogen 3.261 N/A ARG 138.A N LYS 134.A O no hydrogen 2.997 N/A ARG 138.A NH1 ASP 4.A OD2 no hydrogen 2.410 N/A ARG 138.A NH1 TYR 23.A O no hydrogen 3.405 N/A ARG 138.A NH2 TYR 23.A O no hydrogen 3.238 N/A PHE 139.A N TRP 135.A O no hydrogen 2.737 N/A HIS 141.A N HIS 141.A ND1 no hydrogen 2.666 N/A TYR 142.A N PHE 139.A O no hydrogen 2.858 N/A TYR 142.A OH GLU 40.A OE2 no hydrogen 2.293 N/A LYS 143.A N PRO 140.A O no hydrogen 3.039 N/A LYS 143.A NZ GLU 137.A OE1 no hydrogen 3.357 N/A LYS 143.A NZ GLU 137.A OE2 no hydrogen 2.968 N/A TYR 144.A N VAL 173.A O no hydrogen 2.554 N/A ARG 145.A N TYR 142.A O no hydrogen 3.183 N/A ARG 145.A NH1 ALA 48.A O no hydrogen 2.821 N/A ARG 145.A NH2 HIS 141.A O no hydrogen 3.157 N/A PHE 147.A N ASN 175.A O no hydrogen 2.794 N/A TYR 148.A N LEU 50.A O no hydrogen 2.948 N/A ILE 149.A N GLY 178.A O no hydrogen 3.069 N/A ALA 150.A N LEU 52.A O no hydrogen 2.841 N/A GLY 151.A N MET 180.A O no hydrogen 3.197 N/A GLU 152.A N LEU 54.A O no hydrogen 3.135 N/A SER 153.A N GLY 182.A O no hydrogen 3.095 N/A SER 153.A N ASN 183.A O no hydrogen 3.165 N/A TYR 154.A OH ASP 121C.A OD1 no hydrogen 2.935 N/A TYR 154.A OH ASP 121C.A OD2 no hydrogen 3.224 N/A ALA 155.A N GLU 152.A O no hydrogen 3.004 N/A GLY 156.A N SER 153.A O no hydrogen 2.800 N/A HIS 157.A N TYR 154.A O no hydrogen 2.636 N/A HIS 157.A ND1 TYR 154.A OH no hydrogen 2.987 N/A TYR 158.A N TYR 154.A O no hydrogen 3.451 N/A VAL 159.A N ALA 155.A O no hydrogen 3.033 N/A GLU 161.A N HIS 157.A O no hydrogen 3.196 N/A LEU 162.A N TYR 158.A O no hydrogen 2.906 N/A SER 163.A N VAL 159.A O no hydrogen 2.691 N/A SER 163.A OG VAL 159.A O no hydrogen 2.738 N/A GLN 164.A N PRO 160.A O no hydrogen 2.832 N/A LEU 165.A N GLU 161.A O no hydrogen 3.186 N/A VAL 166.A N LEU 162.A O no hydrogen 2.992 N/A HIS 167.A N SER 163.A O no hydrogen 2.914 N/A ARG 168.A N GLN 164.A O no hydrogen 2.832 N/A SER 169.A N LEU 165.A O no hydrogen 2.461 N/A SER 169.A OG TYR 129.A OH no hydrogen 2.832 N/A SER 169.A OG VAL 166.A O no hydrogen 2.842 N/A ASN 171.A N SER 169.A OG no hydrogen 2.773 N/A VAL 173.A N ASN 171.A OD1 no hydrogen 2.690 N/A LEU 176.A N ILE 174.A O no hydrogen 2.954 N/A LYS 177.A N PHE 147.A O no hydrogen 2.496 N/A MET 180.A N ILE 149.A O no hydrogen 2.977 N/A GLY 182.A N GLY 151.A O no hydrogen 2.804 N/A LEU 185.A N SER 153.A O no hydrogen 3.342 N/A ILE 186.A N ASP 191.A OD2 no hydrogen 2.832 N/A ASP 187.A N ASP 191.A OD2 no hydrogen 2.867 N/A HIS 190.A N ASP 187.A OD1 no hydrogen 3.286 N/A ASP 191.A N ASP 187.A O no hydrogen 2.878 N/A TYR 192.A N ASP 188.A O no hydrogen 2.811 N/A TYR 192.A OH SER 221.A O no hydrogen 2.862 N/A VAL 193.A N TYR 189.A O no hydrogen 2.743 N/A GLY 194.A N HIS 190.A O no hydrogen 2.760 N/A THR 195.A N ASP 191.A O no hydrogen 2.794 N/A THR 195.A OG1 ASP 191.A O no hydrogen 2.422 N/A PHE 196.A N TYR 192.A O no hydrogen 3.193 N/A GLU 197.A N VAL 193.A O no hydrogen 3.325 N/A PHE 198.A N GLY 194.A O no hydrogen 2.946 N/A TRP 199.A N THR 195.A O no hydrogen 3.030 N/A TRP 200.A N PHE 196.A O no hydrogen 2.911 N/A TRP 200.A NE1 ASP 207.A OD1 no hydrogen 2.604 N/A ASN 201.A N GLU 197.A O no hydrogen 2.817 N/A ASN 201.A ND2 GLU 197.A O no hydrogen 2.665 N/A HIS 202.A N TRP 199.A O no hydrogen 2.913 N/A HIS 202.A ND1 PHE 198.A O no hydrogen 2.658 N/A GLY 203.A N TRP 200.A O no hydrogen 3.055 N/A ILE 204.A N TRP 199.A O no hydrogen 3.131 N/A SER 206.A N GLU 239.A OE1 no hydrogen 2.814 N/A SER 206.A OG THR 209.A OG1 no hydrogen 3.039 N/A SER 206.A OG GLU 239.A OE2 no hydrogen 2.785 N/A THR 209.A N SER 206.A OG no hydrogen 2.992 N/A THR 209.A OG1 SER 206.A OG no hydrogen 3.039 N/A THR 209.A OG1 GLU 239.A OE2 no hydrogen 2.508 N/A TYR 210.A N SER 206.A O no hydrogen 2.894 N/A ARG 211.A N ASP 207.A O no hydrogen 3.147 N/A ARG 212.A N ASP 208.A O no hydrogen 2.745 N/A LEU 213.A N THR 209.A O no hydrogen 2.965 N/A LYS 214.A N TYR 210.A O no hydrogen 3.168 N/A GLU 215.A N ARG 211.A O no hydrogen 3.018 N/A GLU 215.A N ARG 212.A O no hydrogen 3.256 N/A ALA 216.A N ARG 212.A O no hydrogen 2.866 N/A ALA 216.A N LEU 213.A O no hydrogen 3.201 N/A CYS 217.A N LEU 213.A O no hydrogen 2.933 N/A CYS 217.A SG CYS 229.A O no hydrogen 3.805 N/A ASP 220.A N CYS 217.A O no hydrogen 3.048 N/A PHE 222.A N ASP 188.A OD1 no hydrogen 2.851 N/A HIS 224.A N SER 221.A OG no hydrogen 2.631 N/A SER 226.A N ASP 220.A OD2 no hydrogen 2.403 N/A SER 226.A OG ALA 216.A O no hydrogen 3.461 N/A SER 226.A OG ASP 220.A OD1 no hydrogen 3.453 N/A SER 226.A OG ASP 220.A OD2 no hydrogen 2.424 N/A CYS 229.A N SER 226.A OG no hydrogen 3.381 N/A CYS 229.A SG TYR 192.A OH no hydrogen 3.796 N/A ASP 230.A N SER 226.A O no hydrogen 3.070 N/A ALA 231.A N PRO 227.A O no hydrogen 3.043 N/A ALA 232.A N ALA 228.A O no hydrogen 2.816 N/A THR 233.A N CYS 229.A O no hydrogen 2.901 N/A THR 233.A OG1 CYS 229.A O no hydrogen 3.486 N/A THR 233.A OG1 ASP 230.A O no hydrogen 3.176 N/A ASP 234.A N ASP 230.A O no hydrogen 2.769 N/A ASP 234.A N ALA 231.A O no hydrogen 3.041 N/A VAL 235.A N ALA 231.A O no hydrogen 3.338 N/A VAL 235.A N ALA 232.A O no hydrogen 2.934 N/A ALA 236.A N ALA 232.A O no hydrogen 3.130 N/A THR 237.A N THR 233.A O no hydrogen 2.925 N/A THR 237.A OG1 THR 233.A O no hydrogen 3.009 N/A ALA 238.A N ASP 234.A O no hydrogen 3.147 N/A GLU 239.A N VAL 235.A O no hydrogen 2.764 N/A GLN 240.A N ALA 236.A O no hydrogen 2.836 N/A ILE 243.A N GLY 241.A O no hydrogen 2.938 N/A TYR 246.A N ASP 244.A OD1 no hydrogen 2.855 N/A SER 247.A N ASP 244.A O no hydrogen 2.987 N/A SER 247.A OG THR 250.A OG1 no hydrogen 2.311 N/A THR 250.A N SER 247.A O no hydrogen 3.402 N/A THR 250.A OG1 SER 247.A O no hydrogen 3.380 N/A THR 250.A OG1 SER 247.A OG no hydrogen 2.311 N/A ASP 27A.A N ARG 32.A O no hydrogen 3.182 N/A VAL 63A.A N ASP 100.A OD1 no hydrogen 3.408 N/A SER 119A.A OG ASP 115.A O no hydrogen 3.044 N/A