Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3whc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N TYR 43.A OH no hydrogen 3.174 N/A ARG 2.A NH1 GLU 57.A OE1 no hydrogen 3.302 N/A ARG 2.A NH1 GLU 57.A OE2 no hydrogen 3.224 N/A ARG 2.A NH2 GLU 57.A OE1 no hydrogen 2.728 N/A LYS 4.A NZ GLN 7.A OE1 no hydrogen 3.026 N/A TYR 5.A N LYS 1.A O no hydrogen 3.263 N/A MET 6.A N ARG 2.A O no hydrogen 2.846 N/A GLN 7.A N PRO 3.A O no hydrogen 3.012 N/A GLN 7.A NE2 ALA 33.A O no hydrogen 2.888 N/A ILE 8.A N LYS 4.A O no hydrogen 3.135 N/A ILE 9.A N TYR 5.A O no hydrogen 3.128 N/A ASP 10.A N MET 6.A O no hydrogen 2.894 N/A ALA 11.A N GLN 7.A O no hydrogen 3.001 N/A ALA 12.A N ILE 8.A O no hydrogen 2.846 N/A VAL 13.A N ILE 9.A O no hydrogen 3.107 N/A VAL 15.A N ALA 11.A O no hydrogen 3.063 N/A ILE 16.A N ALA 12.A O no hydrogen 2.801 N/A ALA 17.A N VAL 13.A O no hydrogen 3.068 N/A GLU 18.A N GLU 14.A O no hydrogen 2.907 N/A ASN 19.A N VAL 15.A O no hydrogen 2.776 N/A ASN 19.A ND2 VAL 15.A O no hydrogen 3.227 N/A GLY 20.A N ILE 16.A O no hydrogen 2.866 N/A TYR 21.A N GLU 104.A OE1 no hydrogen 2.651 N/A GLN 23.A N GLY 20.A O no hydrogen 3.128 N/A GLN 23.A NE2 ASN 19.A O no hydrogen 3.492 N/A SER 24.A N TYR 21.A O no hydrogen 3.202 N/A SER 24.A OG GLY 20.A O no hydrogen 2.528 N/A ILE 29.A N GLN 25.A O no hydrogen 3.180 N/A ALA 30.A N VAL 26.A O no hydrogen 2.802 N/A LYS 31.A N SER 27.A O no hydrogen 2.984 N/A GLN 32.A N LYS 28.A O no hydrogen 3.028 N/A GLN 32.A NE2 GLU 14.A OE1 no hydrogen 3.374 N/A ALA 33.A N ILE 29.A O no hydrogen 2.983 N/A GLY 34.A N ALA 30.A O no hydrogen 2.839 N/A VAL 35.A N ALA 30.A O no hydrogen 2.924 N/A TYR 41.A N ASP 37.A O no hydrogen 3.252 N/A LEU 42.A N GLY 38.A O no hydrogen 3.091 N/A LEU 42.A N THR 39.A O no hydrogen 3.206 N/A TYR 43.A N ILE 40.A O no hydrogen 2.904 N/A TYR 43.A OH LYS 1.A O no hydrogen 3.292 N/A PHE 44.A N ILE 40.A O no hydrogen 2.835 N/A LYS 45.A N ASP 49.A OD2 no hydrogen 2.913 N/A LYS 47.A NZ TYR 21.A O no hydrogen 3.559 N/A ASP 49.A N ASN 46.A OD1 no hydrogen 3.089 N/A ILE 50.A N ASN 46.A O no hydrogen 3.203 N/A LEU 51.A N LYS 47.A O no hydrogen 3.155 N/A ILE 52.A N GLU 48.A O no hydrogen 3.136 N/A SER 53.A N ASP 49.A O no hydrogen 2.977 N/A SER 53.A OG ASP 49.A O no hydrogen 2.730 N/A SER 53.A OG ASP 49.A OD1 no hydrogen 3.121 N/A LEU 54.A N ILE 50.A O no hydrogen 2.825 N/A PHE 55.A N LEU 51.A O no hydrogen 3.083 N/A LYS 56.A N ILE 52.A O no hydrogen 2.790 N/A GLU 57.A N SER 53.A O no hydrogen 2.798 N/A LYS 58.A N LEU 54.A O no hydrogen 3.239 N/A LYS 58.A NZ ASP 10.A OD1 no hydrogen 2.654 N/A MET 59.A N PHE 55.A O no hydrogen 2.956 N/A GLY 60.A N LYS 56.A O no hydrogen 2.913 N/A GLN 61.A N GLU 57.A O no hydrogen 3.136 N/A PHE 62.A N LYS 58.A O no hydrogen 2.980 N/A ILE 63.A N MET 59.A O no hydrogen 2.802 N/A GLU 64.A N GLY 60.A O no hydrogen 2.993 N/A ARG 65.A N GLN 61.A O no hydrogen 3.086 N/A MET 66.A N PHE 62.A O no hydrogen 2.871 N/A GLU 67.A N ILE 63.A O no hydrogen 2.755 N/A GLU 68.A N GLU 64.A O no hydrogen 3.066 N/A ASP 69.A N ARG 65.A O no hydrogen 2.934 N/A ILE 70.A N MET 66.A O no hydrogen 2.989 N/A GLU 72.A N ASP 69.A O no hydrogen 3.118 N/A LYS 73.A N ILE 70.A O no hydrogen 3.158 N/A ALA 74.A N GLU 78.A OE1 no hydrogen 3.286 N/A THR 75.A N GLU 78.A OE1 no hydrogen 3.084 N/A ALA 76.A N GLU 139.A OE1 no hydrogen 2.741 N/A LYS 77.A N GLU 139.A OE2 no hydrogen 3.017 N/A LYS 77.A NZ GLU 182.A OE2 no hydrogen 3.129 N/A GLU 78.A N THR 75.A OG1 no hydrogen 3.267 N/A LYS 79.A N THR 75.A O no hydrogen 2.957 N/A LYS 79.A NZ ILE 70.A O no hydrogen 2.748 N/A LYS 79.A NZ LYS 73.A O no hydrogen 2.838 N/A LEU 80.A N ALA 76.A O no hydrogen 2.889 N/A ALA 81.A N LYS 77.A O no hydrogen 2.825 N/A LEU 82.A N GLU 78.A O no hydrogen 3.082 N/A VAL 83.A N LYS 79.A O no hydrogen 3.086 N/A ILE 84.A N LEU 80.A O no hydrogen 2.937 N/A SER 85.A N ALA 81.A O no hydrogen 3.100 N/A SER 85.A OG ALA 81.A O no hydrogen 3.117 N/A SER 85.A OG LEU 82.A O no hydrogen 3.050 N/A LYS 86.A N LEU 82.A O no hydrogen 2.947 N/A HIS 87.A N VAL 83.A O no hydrogen 2.993 N/A HIS 87.A ND1 TYR 123.A OH no hydrogen 2.837 N/A PHE 88.A N ILE 84.A O no hydrogen 3.022 N/A SER 89.A N SER 85.A O no hydrogen 2.932 N/A SER 89.A OG SER 85.A O no hydrogen 2.694 N/A LEU 90.A N LYS 86.A O no hydrogen 3.014 N/A LEU 91.A N HIS 87.A O no hydrogen 3.395 N/A ALA 92.A N PHE 88.A O no hydrogen 2.850 N/A GLY 93.A N SER 89.A O no hydrogen 2.884 N/A ASN 96.A N ASP 94.A OD1 no hydrogen 3.160 N/A ALA 98.A N ASP 94.A O no hydrogen 3.471 N/A ILE 99.A N HIS 95.A O no hydrogen 3.014 N/A VAL 100.A N ASN 96.A O no hydrogen 3.142 N/A THR 101.A N LEU 97.A O no hydrogen 2.930 N/A THR 101.A OG1 LEU 97.A O no hydrogen 3.294 N/A THR 101.A OG1 ALA 98.A O no hydrogen 3.207 N/A THR 101.A OG1 GLN 102.A OE1 no hydrogen 2.792 N/A GLN 102.A N ALA 98.A O no hydrogen 2.917 N/A GLN 102.A NE2 ASP 158.A OD1 no hydrogen 3.019 N/A GLN 102.A NE2 THR 162.A OG1 no hydrogen 2.766 N/A LEU 103.A N ILE 99.A O no hydrogen 3.039 N/A GLU 104.A N ILE 99.A O no hydrogen 3.073 N/A LEU 105.A N VAL 100.A O no hydrogen 2.741 N/A ARG 106.A N LEU 103.A O no hydrogen 3.290 N/A ARG 106.A NE THR 101.A O no hydrogen 2.823 N/A ARG 106.A NH1 ASP 158.A OD2 no hydrogen 2.861 N/A ARG 106.A NH2 THR 101.A O no hydrogen 2.910 N/A ARG 106.A NH2 ASP 158.A OD1 no hydrogen 2.731 N/A ARG 106.A NH2 ASP 158.A OD2 no hydrogen 3.481 N/A GLN 107.A NE2 GLU 104.A O no hydrogen 2.800 N/A GLU 111.A N GLU 111.A OE1 no hydrogen 2.864 N/A LEU 112.A N ASN 109.A OD1 no hydrogen 3.215 N/A ARG 113.A N ASN 109.A O no hydrogen 2.877 N/A ARG 113.A NE ASN 117.A OD1 no hydrogen 3.236 N/A ARG 113.A NH2 GLN 107.A O no hydrogen 3.238 N/A GLN 114.A N LEU 110.A O no hydrogen 2.880 N/A LYS 115.A N GLU 111.A O no hydrogen 3.397 N/A LYS 115.A NZ GLU 111.A O no hydrogen 3.301 N/A ILE 116.A N LEU 112.A O no hydrogen 3.018 N/A ASN 117.A N ARG 113.A O no hydrogen 2.780 N/A GLU 118.A N GLN 114.A O no hydrogen 3.053 N/A ILE 119.A N ILE 116.A O no hydrogen 3.121 N/A LEU 120.A N ILE 116.A O no hydrogen 3.246 N/A LYS 121.A N ASN 117.A O no hydrogen 3.254 N/A LYS 121.A N GLU 118.A O no hydrogen 3.405 N/A TYR 123.A N LEU 120.A O no hydrogen 3.167 N/A TYR 123.A OH HIS 87.A ND1 no hydrogen 2.837 N/A LEU 124.A N LEU 120.A O no hydrogen 3.203 N/A ASN 125.A N LYS 121.A O no hydrogen 2.798 N/A ILE 126.A N TYR 123.A O no hydrogen 3.178 N/A ASP 128.A N LEU 124.A O no hydrogen 2.957 N/A GLY 129.A N ASN 125.A O no hydrogen 2.826 N/A ILE 130.A N ILE 126.A O no hydrogen 2.963 N/A LEU 131.A N LEU 127.A O no hydrogen 3.073 N/A THR 132.A N ASP 128.A O no hydrogen 2.902 N/A THR 132.A OG1 ASP 128.A O no hydrogen 2.737 N/A THR 132.A OG1 GLY 129.A O no hydrogen 3.231 N/A GLU 133.A N GLY 129.A O no hydrogen 3.088 N/A GLY 134.A N ILE 130.A O no hydrogen 3.024 N/A ILE 135.A N LEU 131.A O no hydrogen 2.935 N/A GLN 136.A N THR 132.A O no hydrogen 3.186 N/A SER 137.A N GLY 134.A O no hydrogen 3.366 N/A GLY 138.A N GLY 134.A O no hydrogen 3.243 N/A ILE 140.A N GLY 134.A O no hydrogen 3.048 N/A LEU 148.A N ASP 145.A OD1 no hydrogen 3.138 N/A ALA 149.A N ASP 145.A O no hydrogen 2.944 N/A ARG 150.A N VAL 146.A O no hydrogen 2.861 N/A ARG 150.A NE ASP 128.A OD1 no hydrogen 2.747 N/A ARG 150.A NH2 ASP 128.A OD1 no hydrogen 3.353 N/A GLN 151.A N ARG 147.A O no hydrogen 2.906 N/A MET 152.A N LEU 148.A O no hydrogen 2.838 N/A ILE 153.A N ALA 149.A O no hydrogen 2.911 N/A PHE 154.A N ARG 150.A O no hydrogen 2.986 N/A GLY 155.A N GLN 151.A O no hydrogen 2.988 N/A THR 156.A N MET 152.A O no hydrogen 2.935 N/A THR 156.A OG1 MET 152.A O no hydrogen 2.709 N/A ILE 157.A N ILE 153.A O no hydrogen 2.998 N/A ASP 158.A N PHE 154.A O no hydrogen 2.755 N/A GLU 159.A N GLY 155.A O no hydrogen 2.981 N/A THR 160.A N THR 156.A O no hydrogen 3.083 N/A THR 160.A OG1 THR 156.A O no hydrogen 2.773 N/A VAL 161.A N ILE 157.A O no hydrogen 3.162 N/A THR 162.A N ASP 158.A O no hydrogen 2.986 N/A THR 162.A OG1 ASP 158.A O no hydrogen 3.129 N/A THR 163.A N GLU 159.A O no hydrogen 2.988 N/A THR 163.A OG1 GLU 159.A O no hydrogen 2.714 N/A TRP 164.A N THR 160.A O no hydrogen 3.217 N/A TRP 164.A NE1 TYR 171.A O no hydrogen 2.791 N/A VAL 165.A N VAL 161.A O no hydrogen 2.781 N/A MET 166.A N THR 162.A O no hydrogen 2.802 N/A ASN 167.A N THR 163.A O no hydrogen 2.922 N/A ASN 167.A ND2 THR 163.A O no hydrogen 2.884 N/A ASP 168.A N VAL 165.A O no hydrogen 2.963 N/A GLN 169.A N TRP 164.A O no hydrogen 2.749 N/A LYS 170.A N ASN 167.A O no hydrogen 3.157 N/A TYR 171.A N GLN 169.A O no hydrogen 2.736 N/A ALA 175.A N ASP 172.A OD1 no hydrogen 3.185 N/A LEU 176.A N LEU 173.A O no hydrogen 3.054 N/A SER 177.A N VAL 174.A O no hydrogen 3.120 N/A SER 177.A OG VAL 174.A O no hydrogen 2.824 N/A VAL 180.A N LEU 176.A O no hydrogen 2.990 N/A LEU 181.A N SER 177.A O no hydrogen 2.966 N/A GLU 182.A N ASN 178.A O no hydrogen 2.949 N/A LEU 183.A N SER 179.A O no hydrogen 3.176 N/A LEU 184.A N VAL 180.A O no hydrogen 3.038 N/A VAL 185.A N LEU 181.A O no hydrogen 2.854 N/A SER 186.A N GLU 182.A O no hydrogen 2.794 N/A GLY 187.A N LEU 183.A O no hydrogen 2.851 N/A