Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1isa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N ASN 39.A OD1 no hydrogen 2.758 N/A TYR 9.A OH TRP 77.A O no hydrogen 2.761 N/A ALA 13.A N ALA 10.A O no hydrogen 3.019 N/A ALA 15.A N ASP 12.A O no hydrogen 3.460 N/A HIS 17.A N LEU 14.A O no hydrogen 2.841 N/A HIS 17.A ND1 HIS 176.A ND1 no hydrogen 2.907 N/A ILE 18.A N LEU 14.A O no hydrogen 3.127 N/A SER 19.A N ASP 165.A OD2 no hydrogen 3.047 N/A SER 19.A OG THR 22.A OG1 no hydrogen 3.272 N/A SER 19.A OG ASP 165.A OD1 no hydrogen 2.629 N/A SER 19.A OG ASP 165.A OD2 no hydrogen 3.438 N/A THR 22.A N SER 19.A OG no hydrogen 3.007 N/A THR 22.A OG1 SER 19.A OG no hydrogen 3.272 N/A THR 22.A OG1 ASP 165.A OD1 no hydrogen 3.267 N/A THR 22.A OG1 ASP 165.A OD2 no hydrogen 2.804 N/A ILE 23.A N SER 19.A O no hydrogen 3.102 N/A GLU 24.A N ALA 20.A O no hydrogen 2.878 N/A TYR 25.A N GLU 21.A O no hydrogen 3.155 N/A HIS 26.A N THR 22.A O no hydrogen 2.855 N/A HIS 26.A NE2 HIS 73.A NE2 no hydrogen 3.138 N/A TYR 27.A N ILE 23.A O no hydrogen 2.782 N/A TYR 27.A OH PRO 5.A O no hydrogen 2.687 N/A GLY 28.A N ILE 23.A O no hydrogen 3.417 N/A LYS 29.A N TYR 25.A O no hydrogen 2.926 N/A HIS 30.A N TYR 25.A O no hydrogen 2.878 N/A HIS 31.A N HIS 26.A O no hydrogen 2.933 N/A HIS 31.A NE2 VAL 70.A O no hydrogen 3.118 N/A GLN 32.A N TYR 27.A O no hydrogen 3.276 N/A GLN 32.A NE2 GLN 32.A O no hydrogen 3.039 N/A GLN 32.A NE2 THR 36.A OG1 no hydrogen 3.415 N/A THR 33.A N LYS 29.A O no hydrogen 2.935 N/A THR 33.A OG1 LYS 29.A O no hydrogen 2.886 N/A TYR 34.A N HIS 30.A O no hydrogen 3.160 N/A VAL 35.A N HIS 31.A O no hydrogen 3.318 N/A THR 36.A N GLN 32.A O no hydrogen 3.019 N/A THR 36.A OG1 GLN 32.A O no hydrogen 3.369 N/A ASN 37.A N THR 33.A O no hydrogen 2.820 N/A LEU 38.A N TYR 34.A O no hydrogen 2.960 N/A ASN 39.A N VAL 35.A O no hydrogen 2.923 N/A ASN 39.A ND2 PHE 2.A O no hydrogen 2.912 N/A ASN 40.A N THR 36.A O no hydrogen 3.078 N/A LEU 41.A N ASN 37.A O no hydrogen 2.937 N/A ILE 42.A N LEU 38.A O no hydrogen 3.129 N/A GLY 44.A N GLU 48.A OE1 no hydrogen 3.402 N/A THR 45.A N ILE 42.A O no hydrogen 2.981 N/A THR 45.A OG1 ILE 42.A O no hydrogen 2.633 N/A PHE 47.A N THR 45.A OG1 no hydrogen 3.306 N/A GLU 48.A N THR 45.A O no hydrogen 3.195 N/A LYS 50.A N PHE 47.A O no hydrogen 3.093 N/A LYS 50.A NZ SER 58.A OG no hydrogen 3.185 N/A SER 51.A N GLU 54.A OE1 no hydrogen 2.984 N/A GLU 53.A N GLU 53.A OE1 no hydrogen 2.910 N/A GLU 54.A N SER 51.A OG no hydrogen 3.353 N/A ILE 55.A N SER 51.A O no hydrogen 2.964 N/A ILE 56.A N LEU 52.A O no hydrogen 2.955 N/A ARG 57.A N GLU 53.A O no hydrogen 2.934 N/A ARG 57.A NE LEU 145.A O no hydrogen 3.082 N/A SER 58.A N ILE 55.A O no hydrogen 3.148 N/A SER 58.A OG GLU 54.A O no hydrogen 2.803 N/A SER 59.A N ILE 55.A O no hydrogen 3.080 N/A SER 59.A OG ILE 55.A O no hydrogen 2.814 N/A PHE 64.A N GLU 60.A O no hydrogen 3.440 N/A ASN 65.A N GLY 61.A O no hydrogen 2.972 N/A ASN 66.A N GLY 62.A O no hydrogen 3.050 N/A ASN 66.A ND2 ASN 37.A OD1 no hydrogen 3.499 N/A ALA 67.A N VAL 63.A O no hydrogen 2.948 N/A ALA 68.A N PHE 64.A O no hydrogen 2.813 N/A GLN 69.A N ASN 65.A O no hydrogen 3.095 N/A GLN 69.A NE2 TYR 34.A OH no hydrogen 3.112 N/A VAL 70.A N ASN 66.A O no hydrogen 3.004 N/A TRP 71.A N ALA 67.A O no hydrogen 3.219 N/A TRP 71.A NE1 GLU 53.A OE2 no hydrogen 2.983 N/A ASN 72.A N ALA 68.A O no hydrogen 2.813 N/A ASN 72.A ND2 GLN 69.A OE1 no hydrogen 3.274 N/A ASN 72.A ND2 ALA 141.A O no hydrogen 3.097 N/A HIS 73.A N GLN 69.A O no hydrogen 3.052 N/A HIS 73.A ND1 GLN 69.A O no hydrogen 2.722 N/A THR 74.A N VAL 70.A O no hydrogen 3.165 N/A THR 74.A OG1 VAL 70.A O no hydrogen 3.267 N/A PHE 75.A N TRP 71.A O no hydrogen 3.039 N/A TYR 76.A N ASN 72.A O no hydrogen 2.943 N/A TYR 76.A OH TYR 173.A OH no hydrogen 2.700 N/A TRP 77.A N HIS 73.A O no hydrogen 3.009 N/A TRP 77.A NE1 HIS 31.A ND1 no hydrogen 3.082 N/A ASN 78.A N THR 74.A O no hydrogen 3.141 N/A CYS 79.A N PHE 75.A O no hydrogen 3.023 N/A CYS 79.A N TYR 76.A O no hydrogen 3.049 N/A CYS 79.A SG PHE 75.A O no hydrogen 3.328 N/A LEU 80.A N TRP 77.A O no hydrogen 3.279 N/A ALA 81.A N LEU 180.A O no hydrogen 2.823 N/A GLY 85.A N VAL 181.A O no hydrogen 2.848 N/A ALA 93.A N THR 89.A O no hydrogen 3.342 N/A GLU 94.A N GLY 90.A O no hydrogen 3.029 N/A ALA 95.A N LYS 91.A O no hydrogen 2.982 N/A ILE 96.A N VAL 92.A O no hydrogen 2.966 N/A ALA 97.A N ALA 93.A O no hydrogen 2.923 N/A ALA 98.A N GLU 94.A O no hydrogen 2.947 N/A SER 99.A N ALA 95.A O no hydrogen 3.109 N/A SER 99.A N ILE 96.A O no hydrogen 3.310 N/A SER 99.A OG ALA 95.A O no hydrogen 3.388 N/A PHE 100.A N ILE 96.A O no hydrogen 2.915 N/A GLY 101.A N ALA 97.A O no hydrogen 2.732 N/A SER 102.A OG ASP 105.A OD2 no hydrogen 2.939 N/A ASP 105.A N SER 102.A OG no hydrogen 3.262 N/A PHE 106.A N SER 102.A O no hydrogen 3.046 N/A LYS 107.A N PHE 103.A O no hydrogen 2.880 N/A ALA 108.A N ALA 104.A O no hydrogen 3.083 N/A GLN 109.A N ASP 105.A O no hydrogen 3.025 N/A PHE 110.A N PHE 106.A O no hydrogen 2.878 N/A THR 111.A N LYS 107.A O no hydrogen 2.978 N/A THR 111.A OG1 LYS 107.A O no hydrogen 2.859 N/A ASP 112.A N ALA 108.A O no hydrogen 2.968 N/A ALA 113.A N GLN 109.A O no hydrogen 3.010 N/A ALA 114.A N PHE 110.A O no hydrogen 3.012 N/A ILE 115.A N THR 111.A O no hydrogen 3.026 N/A LYS 116.A N ASP 112.A O no hydrogen 3.045 N/A LYS 116.A NZ ASP 112.A OD2 no hydrogen 3.020 N/A ASN 117.A N ALA 114.A O no hydrogen 3.421 N/A ASN 117.A ND2 THR 138.A O no hydrogen 3.224 N/A TRP 122.A N THR 138.A O no hydrogen 3.112 N/A TRP 122.A NE1 GLN 69.A OE1 no hydrogen 3.047 N/A THR 123.A N VAL 155.A O no hydrogen 3.274 N/A THR 123.A OG1 SER 137.A OG no hydrogen 3.047 N/A TRP 124.A N VAL 136.A O no hydrogen 2.778 N/A TRP 124.A NE1 THR 138.A OG1 no hydrogen 2.914 N/A LEU 125.A N LEU 153.A O no hydrogen 2.942 N/A VAL 126.A N ALA 134.A O no hydrogen 2.797 N/A LYS 127.A N THR 150.A O no hydrogen 2.863 N/A LYS 127.A NZ LEU 190.A O no hydrogen 3.048 N/A LYS 127.A NZ ALA 192.A O no hydrogen 3.447 N/A ASN 128.A N LYS 132.A O no hydrogen 2.896 N/A SER 129.A OG ASP 148.A OD2 no hydrogen 3.260 N/A GLY 131.A N ASN 128.A O no hydrogen 3.004 N/A LYS 132.A NZ ALA 98.A O no hydrogen 3.209 N/A LEU 133.A N SER 99.A OG no hydrogen 2.990 N/A ALA 134.A N VAL 126.A O no hydrogen 2.944 N/A VAL 136.A N TRP 124.A O no hydrogen 2.998 N/A SER 137.A OG THR 123.A OG1 no hydrogen 3.047 N/A THR 138.A N TRP 122.A O no hydrogen 2.818 N/A THR 138.A OG1 GLY 142.A O no hydrogen 2.737 N/A ASN 140.A N SER 120.A O no hydrogen 2.929 N/A ASN 140.A ND2 SER 120.A O no hydrogen 3.548 N/A GLY 142.A N SER 139.A O no hydrogen 2.863 N/A THR 143.A OG1 ASN 72.A OD1 no hydrogen 3.263 N/A THR 146.A N THR 143.A O no hydrogen 3.235 N/A THR 146.A OG1 THR 143.A O no hydrogen 3.053 N/A THR 147.A N PRO 144.A O no hydrogen 2.844 N/A THR 147.A OG1 PRO 144.A O no hydrogen 2.855 N/A ALA 149.A N THR 147.A OG1 no hydrogen 3.172 N/A THR 150.A N LYS 127.A O no hydrogen 2.823 N/A LEU 152.A N LEU 125.A O no hydrogen 2.846 N/A LEU 153.A N LEU 125.A O no hydrogen 3.389 N/A THR 154.A OG1 THR 123.A O no hydrogen 3.097 N/A VAL 155.A N THR 123.A O no hydrogen 3.046 N/A VAL 157.A N GLY 121.A O no hydrogen 2.945 N/A TRP 158.A N ASP 156.A OD1 no hydrogen 3.166 N/A TRP 158.A NE1 ASN 140.A O no hydrogen 3.085 N/A ALA 161.A N TRP 158.A O no hydrogen 2.992 N/A TYR 162.A N GLU 159.A O no hydrogen 3.100 N/A TYR 163.A N GLU 159.A O no hydrogen 2.882 N/A TYR 166.A N TYR 162.A O no hydrogen 2.867 N/A TYR 166.A OH HIS 17.A O no hydrogen 2.753 N/A ARG 167.A N TYR 163.A O no hydrogen 2.895 N/A ARG 167.A NH1 TYR 163.A O no hydrogen 3.062 N/A ALA 169.A N TYR 166.A O no hydrogen 2.976 N/A ARG 170.A N ASN 168.A O no hydrogen 2.913 N/A ARG 170.A NE TYR 162.A OH no hydrogen 3.014 N/A ARG 170.A NH1 ALA 114.A O no hydrogen 2.929 N/A ARG 170.A NH1 ASN 117.A O no hydrogen 2.766 N/A ARG 170.A NH2 ASN 117.A O no hydrogen 3.501 N/A ARG 170.A NH2 GLY 119.A O no hydrogen 3.113 N/A GLY 172.A N ALA 169.A O no hydrogen 3.007 N/A TYR 173.A N ALA 169.A O no hydrogen 3.377 N/A TYR 173.A OH TYR 76.A OH no hydrogen 2.700 N/A TYR 173.A OH ASP 156.A O no hydrogen 2.763 N/A LEU 174.A N ARG 170.A O no hydrogen 3.042 N/A GLU 175.A N PRO 171.A O no hydrogen 3.062 N/A HIS 176.A N GLY 172.A O no hydrogen 3.057 N/A HIS 176.A ND1 HIS 17.A ND1 no hydrogen 2.907 N/A PHE 177.A N TYR 173.A O no hydrogen 2.879 N/A TRP 178.A N LEU 174.A O no hydrogen 3.463 N/A TRP 178.A NE1 THR 111.A OG1 no hydrogen 3.096 N/A ALA 179.A N HIS 176.A O no hydrogen 3.150 N/A LEU 180.A N PHE 177.A O no hydrogen 2.864 N/A ASN 182.A N CYS 79.A O no hydrogen 2.888 N/A TRP 183.A NE1 GLY 86.A O no hydrogen 2.941 N/A PHE 185.A N ASN 182.A O no hydrogen 3.154 N/A VAL 186.A N ASN 182.A O no hydrogen 3.371 N/A ALA 187.A N TRP 183.A O no hydrogen 2.940 N/A LYS 188.A N GLU 184.A O no hydrogen 3.005 N/A ASN 189.A N PHE 185.A O no hydrogen 2.996 N/A LEU 190.A N VAL 186.A O no hydrogen 2.821 N/A