Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kyr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 GLY 1.A O no hydrogen 3.048 N/A SER 7.A OG TYR 9.A O no hydrogen 2.766 N/A TYR 11.A OH HIS 13.A ND1 no hydrogen 2.563 N/A HIS 13.A ND1 TYR 11.A OH no hydrogen 2.563 N/A LEU 15.A N HIS 12.A O no hydrogen 3.044 N/A GLY 16.A N HIS 13.A O no hydrogen 3.154 N/A ASN 18.A N SER 30.A OG no hydrogen 2.871 N/A TYR 19.A OH HIS 40.A NE2 no hydrogen 2.700 N/A THR 20.A N VAL 28.A O no hydrogen 2.741 N/A ILE 22.A N LEU 26.A O no hydrogen 2.940 N/A ARG 23.A N LEU 26.A O no hydrogen 3.465 N/A ARG 23.A NE GLU 25.A OE2 no hydrogen 2.842 N/A ARG 23.A NH2 GLU 25.A OE2 no hydrogen 3.483 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 2.731 N/A LEU 26.A N ARG 23.A O no hydrogen 3.106 N/A ILE 27.A N VAL 115.A O no hydrogen 2.953 N/A VAL 28.A N THR 20.A O no hydrogen 3.029 N/A GLY 29.A N VAL 117.A O no hydrogen 3.152 N/A SER 30.A N ASN 18.A O no hydrogen 2.827 N/A SER 30.A OG ASN 18.A O no hydrogen 3.388 N/A GLN 31.A N SER 120.A O no hydrogen 3.114 N/A GLN 31.A NE2 TYR 11.A OH no hydrogen 3.237 N/A GLN 31.A NE2 SER 120.A O no hydrogen 3.471 N/A GLN 33.A N ASP 37.A OD2 no hydrogen 2.750 N/A GLN 33.A NE2 HIS 13.A O no hydrogen 2.925 N/A ASP 37.A N LYS 34.A O no hydrogen 3.002 N/A ILE 38.A N PRO 35.A O no hydrogen 2.907 N/A ASP 39.A N PRO 35.A O no hydrogen 3.378 N/A HIS 40.A N GLU 36.A O no hydrogen 3.034 N/A HIS 40.A NE2 TYR 19.A OH no hydrogen 2.700 N/A LEU 41.A N ASP 37.A O no hydrogen 3.124 N/A LYS 42.A N ILE 38.A O no hydrogen 2.965 N/A LYS 42.A NZ LEU 76.A O no hydrogen 2.656 N/A GLN 43.A N ASP 39.A O no hydrogen 2.879 N/A GLU 44.A N HIS 40.A O no hydrogen 2.813 N/A GLN 45.A N LEU 41.A O no hydrogen 2.992 N/A GLN 45.A NE2 TYR 19.A OH no hydrogen 3.290 N/A ASN 46.A N LYS 42.A O no hydrogen 3.190 N/A VAL 47.A N LEU 41.A O no hydrogen 3.420 N/A ALA 48.A N ARG 114.A O no hydrogen 2.801 N/A TYR 49.A N ARG 114.A O no hydrogen 3.107 N/A TYR 49.A OH GLU 110.A OE1 no hydrogen 2.458 N/A ILE 50.A N ARG 79.A O no hydrogen 2.805 N/A LEU 51.A N TYR 116.A O no hydrogen 2.900 N/A ASN 52.A N MET 81.A O no hydrogen 2.738 N/A ASN 52.A ND2 GLN 54.A OE1 no hydrogen 3.555 N/A LEU 53.A N HIS 118.A O no hydrogen 3.026 N/A GLN 54.A N ASN 52.A OD1 no hydrogen 2.827 N/A GLN 54.A NE2 GLN 31.A OE1 no hydrogen 2.912 N/A GLN 54.A NE2 SER 120.A OG no hydrogen 2.915 N/A GLN 55.A N ASP 58.A OD2 no hydrogen 2.915 N/A ILE 59.A N GLN 55.A O no hydrogen 3.185 N/A GLU 60.A N ASP 56.A O no hydrogen 2.976 N/A TYR 61.A N LYS 57.A O no hydrogen 2.997 N/A TRP 62.A N ASP 58.A O no hydrogen 3.173 N/A GLY 63.A N GLU 60.A O no hydrogen 3.149 N/A ILE 64.A N ILE 59.A O no hydrogen 3.063 N/A SER 68.A N ASP 65.A O no hydrogen 3.193 N/A SER 68.A N ASP 65.A OD1 no hydrogen 3.219 N/A SER 68.A OG ASP 65.A O no hydrogen 2.945 N/A ILE 69.A N ASP 65.A O no hydrogen 3.406 N/A VAL 70.A N LEU 66.A O no hydrogen 2.879 N/A ARG 71.A N ASP 67.A O no hydrogen 3.030 N/A ARG 72.A N SER 68.A O no hydrogen 2.885 N/A ARG 72.A NE ASP 39.A OD1 no hydrogen 2.907 N/A ARG 72.A NH1 GLU 75.A OE1 no hydrogen 2.930 N/A ARG 72.A NH2 ASP 39.A OD1 no hydrogen 3.521 N/A ARG 72.A NH2 ASP 39.A OD2 no hydrogen 2.734 N/A CYS 73.A N ILE 69.A O no hydrogen 3.017 N/A CYS 73.A SG ILE 69.A O no hydrogen 3.419 N/A LYS 74.A N VAL 70.A O no hydrogen 2.984 N/A GLU 75.A N ARG 71.A O no hydrogen 3.011 N/A LEU 76.A N ARG 72.A O no hydrogen 3.050 N/A LEU 76.A N CYS 73.A O no hydrogen 3.054 N/A GLY 77.A N LYS 74.A O no hydrogen 3.192 N/A ILE 78.A N CYS 73.A O no hydrogen 2.791 N/A ARG 79.A N ALA 48.A O no hydrogen 2.909 N/A MET 81.A N ILE 50.A O no hydrogen 2.637 N/A ARG 82.A NH1 ASP 56.A OD1 no hydrogen 2.877 N/A ARG 82.A NH2 GLN 54.A O no hydrogen 3.025 N/A ARG 82.A NH2 ASP 56.A OD1 no hydrogen 2.872 N/A ARG 83.A N ASN 52.A O no hydrogen 2.896 N/A ARG 83.A NE SER 103.A OG no hydrogen 2.899 N/A ARG 83.A NH1 THR 208.A O no hydrogen 3.417 N/A ARG 83.A NH2 THR 208.A O no hydrogen 3.200 N/A ALA 85.A N LEU 53.A O no hydrogen 3.136 N/A LYS 86.A N SER 92.A OG no hydrogen 2.823 N/A PHE 88.A N ASP 87.A OD1 no hydrogen 2.790 N/A SER 92.A N ASP 89.A OD1 no hydrogen 3.094 N/A LEU 93.A N ASP 89.A O no hydrogen 2.964 N/A ARG 94.A N PRO 90.A O no hydrogen 2.920 N/A ARG 94.A NE ASP 168.A OD2 no hydrogen 2.973 N/A ARG 94.A NH2 ASP 168.A OD1 no hydrogen 2.723 N/A ARG 94.A NH2 ASP 168.A OD2 no hydrogen 3.518 N/A SER 95.A N LEU 91.A O no hydrogen 2.992 N/A SER 95.A OG LEU 91.A O no hydrogen 2.925 N/A GLN 96.A N SER 92.A O no hydrogen 2.957 N/A LEU 97.A N ARG 94.A O no hydrogen 3.305 N/A LYS 99.A NZ GLN 96.A OE1 no hydrogen 3.342 N/A ALA 100.A N GLN 96.A O no hydrogen 2.981 N/A VAL 101.A N LEU 97.A O no hydrogen 2.860 N/A SER 102.A N PRO 98.A O no hydrogen 2.968 N/A SER 102.A OG LYS 99.A O no hydrogen 2.948 N/A SER 103.A N LYS 99.A O no hydrogen 3.266 N/A SER 103.A OG LYS 99.A O no hydrogen 3.433 N/A LEU 104.A N ALA 100.A O no hydrogen 3.206 N/A GLU 105.A N VAL 101.A O no hydrogen 2.926 N/A TRP 106.A N SER 102.A O no hydrogen 3.025 N/A ALA 107.A N SER 103.A O no hydrogen 3.066 N/A VAL 108.A N LEU 104.A O no hydrogen 2.993 N/A SER 109.A N GLU 105.A O no hydrogen 2.993 N/A SER 109.A OG GLU 105.A O no hydrogen 3.528 N/A SER 109.A OG TRP 106.A O no hydrogen 2.824 N/A GLU 110.A N TRP 106.A O no hydrogen 2.903 N/A GLU 110.A N ALA 107.A O no hydrogen 3.116 N/A GLY 111.A N ALA 107.A O no hydrogen 3.229 N/A LYS 112.A N TYR 49.A OH no hydrogen 3.360 N/A ARG 114.A N ASN 46.A O no hydrogen 2.748 N/A ARG 114.A NE ASP 24.A O no hydrogen 2.754 N/A ARG 114.A NH1 GLN 45.A O no hydrogen 2.712 N/A ARG 114.A NH2 ASP 24.A OD1 no hydrogen 2.645 N/A VAL 115.A N GLU 25.A O no hydrogen 2.918 N/A TYR 116.A N TYR 49.A O no hydrogen 2.751 N/A TYR 116.A OH SER 30.A O no hydrogen 2.680 N/A VAL 117.A N ILE 27.A O no hydrogen 2.795 N/A HIS 118.A N LEU 51.A O no hydrogen 2.924 N/A HIS 118.A ND1 SER 119.A O no hydrogen 2.877 N/A ARG 125.A NH1 ASP 58.A OD2 no hydrogen 2.898 N/A ARG 125.A NH1 ALA 85.A O no hydrogen 2.915 N/A ALA 126.A N SER 119.A OG no hydrogen 3.165 N/A GLY 128.A N GLY 124.A O no hydrogen 3.203 N/A VAL 129.A N ARG 125.A O no hydrogen 2.986 N/A SER 130.A N ALA 126.A O no hydrogen 2.981 N/A SER 130.A OG.A ALA 126.A O no hydrogen 2.862 N/A SER 130.A OG.B ALA 126.A O no hydrogen 3.482 N/A SER 130.A OG.B PRO 127.A O no hydrogen 2.620 N/A ILE 131.A N PRO 127.A O no hydrogen 2.929 N/A ALA 132.A N GLY 128.A O no hydrogen 3.054 N/A TYR 133.A N VAL 129.A O no hydrogen 3.110 N/A TYR 133.A OH GLU 25.A OE2 no hydrogen 2.713 N/A MET 134.A N SER 130.A O no hydrogen 3.105 N/A TYR 135.A N ILE 131.A O no hydrogen 3.023 N/A TYR 135.A OH PHE 187.A O no hydrogen 2.633 N/A TRP 136.A N ALA 132.A O no hydrogen 2.805 N/A TRP 136.A NE1 THR 166.A OG1 no hydrogen 2.952 N/A PHE 137.A N TYR 133.A O no hydrogen 2.846 N/A CYS 138.A N MET 134.A O no hydrogen 2.974 N/A LEU 142.A N GLU 188.A O no hydrogen 2.934 N/A THR 144.A N ASN 141.A OD1 no hydrogen 2.972 N/A THR 144.A OG1 ASN 141.A OD1 no hydrogen 2.854 N/A ALA 145.A N ASN 141.A O no hydrogen 3.039 N/A TYR 146.A N LEU 142.A O no hydrogen 2.951 N/A TYR 146.A OH PRO 157.A O no hydrogen 2.797 N/A ASP 147.A N ASN 143.A O no hydrogen 2.984 N/A THR 148.A N THR 144.A O no hydrogen 2.971 N/A THR 148.A OG1 THR 144.A O no hydrogen 2.494 N/A LEU 149.A N ALA 145.A O no hydrogen 3.118 N/A VAL 150.A N TYR 146.A O no hydrogen 2.945 N/A SER 151.A N ASP 147.A O no hydrogen 3.060 N/A SER 151.A OG ASP 147.A O no hydrogen 2.692 N/A SER 151.A OG THR 148.A O no hydrogen 3.502 N/A ARG 153.A N LEU 149.A O no hydrogen 2.829 N/A ARG 153.A NE GLY 122.A O no hydrogen 2.895 N/A ARG 153.A NH1 ASN 18.A OD1 no hydrogen 3.009 N/A ARG 153.A NH1 THR 20.A OG1 no hydrogen 2.916 N/A ARG 153.A NH2 ASN 18.A OD1 no hydrogen 2.766 N/A ARG 153.A NH2 ALA 121.A O no hydrogen 3.208 N/A ARG 153.A NH2 GLY 122.A O no hydrogen 3.347 N/A CYS 155.A SG ARG 153.A O no hydrogen 3.277 N/A LYS 159.A NZ ASN 143.A OD1 no hydrogen 2.696 N/A ALA 161.A N ASN 158.A OD1 no hydrogen 2.874 N/A ARG 163.A N LYS 159.A O no hydrogen 2.973 N/A ARG 163.A NH1 ALA 186.A O no hydrogen 2.706 N/A GLY 164.A N GLY 160.A O no hydrogen 2.753 N/A ALA 165.A N ALA 161.A O no hydrogen 3.003 N/A THR 166.A N ILE 162.A O no hydrogen 2.965 N/A THR 166.A OG1 ILE 162.A O no hydrogen 2.888 N/A TYR 167.A N ARG 163.A O no hydrogen 3.065 N/A TYR 167.A OH GLU 177.A O no hydrogen 2.671 N/A ASP 168.A N GLY 164.A O no hydrogen 2.873 N/A LEU 169.A N ALA 165.A O no hydrogen 3.204 N/A ALA 170.A N TYR 167.A O no hydrogen 3.065 N/A LYS 171.A N TYR 167.A O no hydrogen 2.957 N/A LYS 171.A NZ GLU 177.A OE2 no hydrogen 2.777 N/A LYS 176.A N ASP 173.A O no hydrogen 2.951 N/A GLU 177.A N PRO 174.A O no hydrogen 2.863 N/A SER 181.A N PRO 178.A O no hydrogen 2.802 N/A LEU 182.A N PHE 179.A O no hydrogen 3.177 N/A ALA 186.A N PRO 183.A O no hydrogen 2.976 N/A GLU 188.A N ASN 185.A O no hydrogen 3.054 N/A ALA 191.A N GLU 194.A OE1 no hydrogen 2.824 N/A ARG 195.A N ALA 191.A O no hydrogen 2.998 N/A ARG 195.A NH1 TYR 135.A O no hydrogen 2.760 N/A ARG 195.A NH2 TYR 135.A O no hydrogen 3.365 N/A ARG 195.A NH2 MET 140.A O no hydrogen 2.873 N/A LYS 196.A N ASP 192.A O no hydrogen 3.025 N/A LEU 197.A N TRP 193.A O no hydrogen 2.848 N/A ILE 198.A N GLU 194.A O no hydrogen 2.879 N/A GLN 199.A N ARG 195.A O no hydrogen 3.091 N/A GLN 199.A NE2 TRP 136.A O no hydrogen 2.982 N/A GLU 200.A N LYS 196.A O no hydrogen 3.010 N/A ARG 201.A N LEU 197.A O no hydrogen 2.960 N/A ARG 201.A NH1 LEU 169.A O no hydrogen 2.646 N/A VAL 202.A N ILE 198.A O no hydrogen 2.901 N/A ARG 203.A N GLN 199.A O no hydrogen 2.931 N/A ARG 203.A NE GLU 105.A OE1 no hydrogen 3.483 N/A ARG 203.A NE GLU 105.A OE2 no hydrogen 3.416 N/A ARG 203.A NH2 GLU 105.A OE2 no hydrogen 2.943 N/A ALA 204.A N GLU 200.A O no hydrogen 2.941 N/A LEU 205.A N VAL 202.A O no hydrogen 2.953 N/A ARG 206.A N ARG 203.A O no hydrogen 3.133 N/A ARG 206.A NH2 GLU 105.A OE1 no hydrogen 2.890 N/A THR 208.A N LEU 205.A O no hydrogen 3.020 N/A THR 208.A OG1 LEU 205.A O no hydrogen 2.570 N/A