Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ash_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ASN 1.A OD1 no hydrogen 3.328 N/A GLN 6.A N ASP 2.A O no hydrogen 2.617 N/A VAL 7.A N ASP 3.A O no hydrogen 3.030 N/A TYR 8.A N ILE 4.A O no hydrogen 3.171 N/A TYR 9.A N ARG 5.A O no hydrogen 3.015 N/A ARG 10.A N GLN 6.A O no hydrogen 2.959 N/A ARG 10.A NE ASP 39.A OD2 no hydrogen 2.845 N/A ARG 10.A NH1 ASP 11.A OD1 no hydrogen 2.733 N/A ARG 10.A NH2 ASP 39.A OD1 no hydrogen 3.421 N/A ARG 10.A NH2 ASP 39.A OD2 no hydrogen 2.984 N/A ASP 11.A N VAL 7.A O no hydrogen 3.109 N/A LYS 12.A N TYR 8.A O no hydrogen 3.037 N/A GLY 13.A N TYR 9.A O no hydrogen 2.804 N/A ILE 14.A N ARG 10.A O no hydrogen 2.979 N/A SER 15.A N ASP 11.A O no hydrogen 2.888 N/A HIS 16.A N LYS 12.A O no hydrogen 2.811 N/A ALA 17.A N GLY 13.A O no hydrogen 2.982 N/A LYS 18.A N ILE 14.A O no hydrogen 3.032 N/A ALA 19.A N SER 15.A O no hydrogen 3.167 N/A GLY 20.A N ALA 17.A O no hydrogen 3.182 N/A ARG 21.A N HIS 16.A O no hydrogen 2.760 N/A ARG 21.A NH2 HIS 16.A ND1 no hydrogen 2.968 N/A ALA 25.A N ARG 21.A O no hydrogen 2.968 N/A VAL 26.A N TYR 22.A O no hydrogen 2.983 N/A MET 27.A N SER 23.A O no hydrogen 2.953 N/A LEU 28.A N GLN 24.A O no hydrogen 3.017 N/A LEU 29.A N ALA 25.A O no hydrogen 2.837 N/A GLU 30.A N VAL 26.A O no hydrogen 3.122 N/A GLN 31.A N LEU 28.A O no hydrogen 3.057 N/A VAL 32.A N LEU 29.A O no hydrogen 3.113 N/A TYR 33.A N LEU 29.A O no hydrogen 2.867 N/A ASP 36.A N ASP 34.A OD1 no hydrogen 3.216 N/A ALA 37.A N ASP 34.A O no hydrogen 3.035 N/A ASP 41.A N ASP 39.A OD1 no hydrogen 3.115 N/A ALA 43.A N ASP 39.A O no hydrogen 2.932 N/A LEU 44.A N VAL 40.A O no hydrogen 2.797 N/A HIS 45.A N ASP 41.A O no hydrogen 3.266 N/A HIS 45.A ND1 ASP 41.A O no hydrogen 2.586 N/A LEU 46.A N VAL 42.A O no hydrogen 2.821 N/A GLY 47.A N ALA 43.A O no hydrogen 2.729 N/A ILE 48.A N LEU 44.A O no hydrogen 3.119 N/A ALA 49.A N HIS 45.A O no hydrogen 3.184 N/A TYR 50.A N LEU 46.A O no hydrogen 2.758 N/A TYR 50.A OH GLU 30.A OE2 no hydrogen 2.901 N/A VAL 51.A N GLY 47.A O no hydrogen 3.072 N/A LYS 52.A N ILE 48.A O no hydrogen 2.917 N/A THR 53.A N ALA 49.A O no hydrogen 3.001 N/A THR 53.A OG1 ALA 49.A O no hydrogen 2.761 N/A THR 53.A OG1 TYR 50.A O no hydrogen 3.276 N/A GLY 54.A N VAL 51.A O no hydrogen 3.184 N/A ALA 55.A N TYR 50.A O no hydrogen 2.807 N/A GLY 59.A N ALA 55.A O no hydrogen 2.973 N/A THR 60.A N VAL 56.A O no hydrogen 2.841 N/A THR 60.A OG1 VAL 56.A O no hydrogen 2.809 N/A GLU 61.A N ASP 57.A O no hydrogen 3.148 N/A LEU 62.A N ARG 58.A O no hydrogen 3.236 N/A LEU 63.A N GLY 59.A O no hydrogen 2.853 N/A GLU 64.A N THR 60.A O no hydrogen 2.688 N/A ARG 65.A N GLU 61.A O no hydrogen 3.056 N/A ARG 65.A NH2 ALA 35.A O no hydrogen 3.285 N/A SER 66.A N LEU 62.A O no hydrogen 2.893 N/A SER 66.A OG LEU 62.A O no hydrogen 2.648 N/A LEU 67.A N LEU 63.A O no hydrogen 2.889 N/A ALA 68.A N GLU 64.A O no hydrogen 3.031 N/A ASP 69.A N ARG 65.A O no hydrogen 2.958 N/A ALA 70.A N SER 66.A O no hydrogen 2.863 N/A ASN 73.A N ALA 70.A O no hydrogen 3.094 N/A VAL 76.A N ASN 73.A OD1 no hydrogen 2.882 N/A ALA 77.A N ASN 73.A O no hydrogen 3.120 N/A THR 78.A N VAL 74.A O no hydrogen 2.895 N/A THR 78.A N LYS 75.A O no hydrogen 3.180 N/A THR 78.A OG1 VAL 74.A O no hydrogen 2.585 N/A VAL 79.A N LYS 75.A O no hydrogen 3.152 N/A LEU 80.A N VAL 76.A O no hydrogen 2.887 N/A GLY 81.A N ALA 77.A O no hydrogen 2.935 N/A LEU 82.A N THR 78.A O no hydrogen 3.019 N/A THR 83.A N VAL 79.A O no hydrogen 2.931 N/A THR 83.A OG1 VAL 79.A O no hydrogen 2.693 N/A TYR 84.A N LEU 80.A O no hydrogen 2.849 N/A TYR 84.A OH GLU 64.A OE1 no hydrogen 2.597 N/A VAL 85.A N GLY 81.A O no hydrogen 3.124 N/A GLN 86.A N LEU 82.A O no hydrogen 2.972 N/A VAL 87.A N THR 83.A O no hydrogen 2.916 N/A GLN 88.A N VAL 85.A O no hydrogen 3.176 N/A LYS 89.A N TYR 84.A O no hydrogen 2.778 N/A LEU 92.A N LYS 89.A O no hydrogen 3.168 N/A LEU 92.A N ASP 91.A OD2.A no hydrogen 2.716 N/A ALA 93.A N LYS 89.A O no hydrogen 3.013 N/A VAL 94.A N TYR 90.A O no hydrogen 3.093 N/A LEU 97.A N ALA 93.A O no hydrogen 2.947 N/A ILE 98.A N VAL 94.A O no hydrogen 2.923 N/A LYS 99.A N PRO 95.A O no hydrogen 3.250 N/A LYS 99.A NZ PRO 71.A O no hydrogen 3.087 N/A VAL 100.A N LEU 96.A O no hydrogen 3.191 N/A ALA 101.A N LEU 97.A O no hydrogen 2.896 N/A GLU 102.A N ILE 98.A O no hydrogen 2.972 N/A ALA 103.A N LYS 99.A O no hydrogen 3.059 N/A ASN 104.A N VAL 100.A O no hydrogen 2.734 N/A ASN 104.A ND2.A VAL 100.A O no hydrogen 3.307 N/A ILE 106.A N ASN 104.A OD1.B no hydrogen 3.033 N/A ASN 107.A N ASN 104.A O no hydrogen 3.009 N/A VAL 110.A N ASN 107.A OD1 no hydrogen 3.041 N/A ARG 111.A N ASN 107.A O no hydrogen 3.331 N/A ARG 111.A NH2 SER 130.A OG no hydrogen 3.078 N/A PHE 112.A N PHE 108.A O no hydrogen 2.864 N/A ARG 113.A N ASN 109.A O no hydrogen 2.977 N/A ARG 113.A NE ASN 109.A OD1 no hydrogen 2.729 N/A ARG 113.A NH2 ASN 109.A OD1 no hydrogen 3.526 N/A LEU 114.A N VAL 110.A O no hydrogen 2.928 N/A GLY 115.A N ARG 111.A O no hydrogen 3.058 N/A VAL 116.A N PHE 112.A O no hydrogen 2.819 N/A ALA 117.A N ARG 113.A O no hydrogen 2.933 N/A LEU 118.A N LEU 114.A O no hydrogen 3.057 N/A LYS 119.A N GLY 115.A O no hydrogen 2.961 N/A ASN 120.A N VAL 116.A O no hydrogen 3.016 N/A ASN 120.A ND2 VAL 116.A O no hydrogen 2.935 N/A LEU 121.A N ALA 117.A O no hydrogen 3.074 N/A GLY 122.A N LYS 119.A O no hydrogen 2.899 N/A ARG 123.A N LEU 118.A O no hydrogen 2.937 N/A ARG 123.A NE GLU 126.A OE2 no hydrogen 2.615 N/A ARG 123.A NH1 GLU 126.A OE1 no hydrogen 2.481 N/A ARG 123.A NH1 GLU 126.A OE2 no hydrogen 3.208 N/A ALA 127.A N ARG 123.A O no hydrogen 2.946 N/A ILE 128.A N PHE 124.A O no hydrogen 2.764 N/A ASP 129.A N ASP 125.A O no hydrogen 3.044 N/A SER 130.A N GLU 126.A O no hydrogen 3.107 N/A PHE 131.A N ALA 127.A O no hydrogen 2.790 N/A LYS 132.A N ILE 128.A O no hydrogen 2.829 N/A ILE 133.A N ASP 129.A O no hydrogen 3.262 N/A ALA 134.A N SER 130.A O no hydrogen 2.842 N/A LEU 135.A N PHE 131.A O no hydrogen 2.912 N/A GLY 136.A N LYS 132.A O no hydrogen 2.984 N/A LEU 137.A N ILE 133.A O no hydrogen 3.075 N/A ARG 138.A N ALA 134.A O no hydrogen 2.927 N/A ARG 138.A NH1 GLU 141.A OE2 no hydrogen 3.521 N/A GLU 141.A N ARG 138.A O no hydrogen 3.130 N/A VAL 144.A N GLU 141.A O no hydrogen 3.190 N/A HIS 145.A N GLU 141.A O no hydrogen 3.421 N/A HIS 145.A ND1 HIS 164.A ND1 no hydrogen 3.012 N/A HIS 145.A NE2 PRO 139.A O no hydrogen 3.028 N/A ARG 146.A N GLY 142.A O no hydrogen 2.925 N/A ALA 147.A N LYS 143.A O no hydrogen 3.103 N/A ILE 148.A N VAL 144.A O no hydrogen 2.862 N/A ALA 149.A N HIS 145.A O no hydrogen 3.014 N/A PHE 150.A N ARG 146.A O no hydrogen 2.986 N/A SER 151.A N ALA 147.A O no hydrogen 3.083 N/A SER 151.A OG ALA 147.A O no hydrogen 2.855 N/A TYR 152.A N ILE 148.A O no hydrogen 2.957 N/A GLU 153.A N ALA 149.A O no hydrogen 2.915 N/A GLN 154.A N PHE 150.A O no hydrogen 2.878 N/A MET 155.A N TYR 152.A O no hydrogen 3.161 N/A GLY 156.A N GLU 153.A O no hydrogen 2.882 N/A ARG 157.A N TYR 152.A O no hydrogen 2.902 N/A ARG 157.A NE GLU 160.A OE2 no hydrogen 3.085 N/A ARG 157.A NH1 ASP 125.A OD1 no hydrogen 2.860 N/A ARG 157.A NH2 GLU 160.A OE1 no hydrogen 3.247 N/A ALA 161.A N ARG 157.A O no hydrogen 3.031 N/A LEU 162.A N HIS 158.A O no hydrogen 3.030 N/A HIS 164.A ND1 HIS 145.A ND1 no hydrogen 3.012 N/A PHE 165.A N ALA 161.A O no hydrogen 2.952 N/A LYS 166.A N LEU 162.A O no hydrogen 3.021 N/A LYS 167.A N PRO 163.A O no hydrogen 2.820 N/A LYS 167.A NZ ASN 140.A OD1 no hydrogen 2.674 N/A ALA 168.A N HIS 164.A O no hydrogen 2.985 N/A ASN 169.A N PHE 165.A O no hydrogen 3.120 N/A GLU 170.A N LYS 166.A O no hydrogen 2.925 N/A LEU 171.A N LYS 167.A O no hydrogen 2.943 N/A