Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5agr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ARG 189.A O.A no hydrogen 2.947 N/A GLY 1.A N ARG 189.A O.B no hydrogen 2.931 N/A ALA 2.A N THR 17.A O no hydrogen 2.807 N/A VAL 3.A N ARG 187.A O no hydrogen 2.888 N/A ALA 4.A N VAL 15.A O no hydrogen 3.052 N/A LEU 5.A N ARG 185.A O no hydrogen 2.886 N/A PHE 6.A N ILE 13.A O no hydrogen 2.843 N/A SER 7.A OG.A ASP 12.A OD1 no hydrogen 3.431 N/A SER 7.A OG.B ALA 8.A O no hydrogen 3.165 N/A ALA 8.A N VAL 11.A O no hydrogen 2.832 N/A ARG 9.A N TYR 90.A O no hydrogen 2.907 N/A ILE 13.A N PHE 6.A O no hydrogen 2.805 N/A VAL 15.A N ALA 4.A O no hydrogen 2.861 N/A THR 17.A N ALA 2.A O no hydrogen 2.889 N/A ARG 19.A N THR 17.A OG1 no hydrogen 2.946 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 2.924 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 3.309 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 2.799 N/A THR 22.A N ARG 19.A O no hydrogen 2.996 N/A THR 22.A OG1 ARG 19.A O no hydrogen 2.749 N/A LEU 23.A N.A PRO 20.A O no hydrogen 3.165 N/A LEU 23.A N.B PRO 20.A O no hydrogen 3.155 N/A GLY 25.A N THR 22.A O no hydrogen 2.804 N/A ALA 26.A N LEU 23.A O.A no hydrogen 3.093 N/A ALA 26.A N LEU 23.A O.B no hydrogen 3.158 N/A THR 27.A N ALA 119.A O no hydrogen 3.042 N/A THR 27.A OG1 PRO 137.A O no hydrogen 2.785 N/A TYR 28.A OH TYR 107.A OH no hydrogen 3.366 N/A TYR 28.A OH ASP 127.A O no hydrogen 3.070 N/A LEU 29.A N PRO 101.A O no hydrogen 2.999 N/A VAL 30.A N ILE 117.A O no hydrogen 3.115 N/A LEU 31.A N PHE 103.A O no hydrogen 2.850 N/A ALA 32.A N GLY 115.A O no hydrogen 2.932 N/A HIS 35.A N ALA 32.A O no hydrogen 2.946 N/A VAL 38.A N HIS 35.A O no hydrogen 3.152 N/A LEU 41.A N LEU 37.A O no hydrogen 3.046 N/A LEU 41.A N VAL 38.A O no hydrogen 2.993 N/A VAL 42.A N VAL 38.A O no hydrogen 3.049 N/A ALA 43.A N LEU 87.A O no hydrogen 2.963 N/A TRP 46.A NE1 GLY 58.A O no hydrogen 2.926 N/A VAL 50.A N PRO 47.A O no hydrogen 3.296 N/A LEU 53.A N ASN 51.A OD1 no hydrogen 2.999 N/A TRP 54.A N ASN 51.A O no hydrogen 2.896 N/A TRP 54.A NE1 PHE 134.A O no hydrogen 2.753 N/A THR 55.A N PRO 52.A O no hydrogen 3.273 N/A THR 55.A OG1 PRO 52.A O no hydrogen 3.004 N/A GLY 57.A N THR 55.A OG1 no hydrogen 3.354 N/A GLY 58.A N THR 55.A O no hydrogen 2.939 N/A THR 60.A OG1 GLU 63.A OE1 no hydrogen 3.005 N/A GLU 63.A N THR 60.A OG1 no hydrogen 3.216 N/A ALA 64.A N THR 60.A O no hydrogen 3.021 N/A ILE 65.A N PRO 61.A O no hydrogen 2.869 N/A ALA 66.A N GLY 62.A O no hydrogen 3.067 N/A ALA 67.A N GLU 63.A O no hydrogen 2.983 N/A TYR 68.A N ALA 64.A O no hydrogen 2.894 N/A TYR 68.A OH THR 83.A OG1 no hydrogen 2.740 N/A ARG 69.A N ILE 65.A O no hydrogen 2.986 N/A ARG 69.A NE PRO 33.A O no hydrogen 2.957 N/A ARG 69.A NH1 ASP 39.A OD1 no hydrogen 2.881 N/A ARG 69.A NH2 PRO 33.A O no hydrogen 2.878 N/A ARG 69.A NH2 ASP 39.A OD1 no hydrogen 3.552 N/A ARG 70.A N ALA 66.A O no hydrogen 3.000 N/A ALA 71.A N ALA 67.A O no hydrogen 2.761 N/A ILE 72.A N TYR 68.A O no hydrogen 2.954 N/A ALA 74.A N ALA 71.A O no hydrogen 2.844 N/A LYS 75.A N ILE 72.A O no hydrogen 3.019 N/A LYS 75.A NZ ASP 106.A OD2 no hydrogen 2.790 N/A SER 76.A N GLU 79.A OE1 no hydrogen 2.741 N/A SER 76.A OG GLU 79.A OE1 no hydrogen 2.758 N/A LEU 78.A N SER 76.A OG no hydrogen 3.153 N/A ARG 80.A N SER 76.A O no hydrogen 3.150 N/A ARG 80.A NH1.A LYS 75.A O no hydrogen 3.098 N/A ARG 80.A NH2.A ASP 77.A OD1 no hydrogen 2.811 N/A GLN 81.A N ASP 77.A O no hydrogen 3.092 N/A THR 83.A OG1 TYR 68.A OH no hydrogen 2.740 N/A VAL 85.A N ILE 104.A O no hydrogen 2.950 N/A PHE 86.A N TRP 54.A O no hydrogen 2.957 N/A LEU 87.A N ILE 102.A O no hydrogen 2.851 N/A SER 89.A OG LEU 41.A O no hydrogen 2.801 N/A ALA 91.A N VAL 100.A O no hydrogen 2.861 N/A ILE 92.A N SER 7.A O no hydrogen 2.719 N/A ASN 93.A N GLU 98.A O no hydrogen 2.870 N/A ASN 93.A ND2 LEU 23.A O.A no hydrogen 2.943 N/A ASN 93.A ND2 LEU 23.A O.B no hydrogen 2.944 N/A ASN 93.A ND2 ALA 26.A O no hydrogen 3.161 N/A ALA 95.A N ASN 93.A OD1 no hydrogen 2.778 N/A ASN 96.A N ASN 93.A OD1 no hydrogen 3.423 N/A GLY 97.A N ASN 93.A O no hydrogen 2.765 N/A GLU 98.A N ASN 96.A OD1 no hydrogen 2.946 N/A VAL 100.A N ALA 91.A O no hydrogen 2.742 N/A ILE 102.A N SER 89.A O no hydrogen 3.035 N/A PHE 103.A N LEU 29.A O no hydrogen 2.887 N/A ILE 104.A N VAL 85.A O no hydrogen 2.903 N/A ALA 105.A N LEU 31.A O no hydrogen 3.297 N/A ASP 106.A N TYR 68.A OH no hydrogen 2.981 N/A TYR 107.A OH TYR 28.A OH no hydrogen 3.366 N/A TYR 107.A OH ASP 127.A OD1 no hydrogen 2.754 N/A VAL 108.A N ALA 105.A O no hydrogen 3.148 N/A THR 114.A OG1 GLU 14.A O no hydrogen 2.721 N/A GLY 115.A N TYR 112.A O no hydrogen 2.889 N/A ALA 116.A N THR 114.A OG1 no hydrogen 3.288 N/A ILE 117.A N VAL 30.A O no hydrogen 2.882 N/A ALA 119.A N TYR 28.A O no hydrogen 2.913 N/A VAL 120.A N ASP 127.A OD2 no hydrogen 2.853 N/A HIS 123.A N VAL 120.A O no hydrogen 3.033 N/A HIS 123.A ND1 TYR 152.A O no hydrogen 2.795 N/A ASP 124.A N VAL 120.A O no hydrogen 3.043 N/A GLN 125.A NE2 ASP 129.A OD1 no hydrogen 2.948 N/A ARG 126.A N ASP 124.A OD1 no hydrogen 2.943 N/A ARG 126.A NE ASP 124.A OD1 no hydrogen 2.994 N/A ARG 126.A NE ASP 124.A OD2 no hydrogen 3.437 N/A ARG 126.A NH2 ASP 124.A OD2 no hydrogen 2.841 N/A TRP 128.A N ASP 124.A O no hydrogen 2.870 N/A TRP 128.A NE1 ILE 147.A O no hydrogen 2.840 N/A ASP 129.A N GLN 125.A O no hydrogen 2.903 N/A PHE 130.A N ARG 126.A O no hydrogen 3.171 N/A ALA 131.A N ASP 127.A O no hydrogen 2.824 N/A ARG 132.A N TRP 128.A O no hydrogen 2.905 N/A ALA 133.A N ASP 129.A O no hydrogen 3.125 N/A PHE 134.A N PHE 130.A O no hydrogen 2.974 N/A GLY 135.A N ALA 131.A O no hydrogen 2.811 N/A LEU 136.A N ALA 131.A O no hydrogen 2.955 N/A VAL 141.A N HIS 123.A NE2 no hydrogen 2.985 N/A ILE 142.A N HIS 123.A NE2 no hydrogen 3.139 N/A ALA 143.A N ILE 157.A O no hydrogen 2.835 N/A SER 148.A N ASN 146.A OD1 no hydrogen 3.184 N/A SER 148.A OG ASN 146.A OD1 no hydrogen 2.632 N/A GLU 149.A N ASN 146.A O no hydrogen 2.995 N/A SER 150.A N ASN 146.A O no hydrogen 3.311 N/A SER 150.A OG ALA 151.A O no hydrogen 3.397 N/A ALA 151.A N GLN 125.A OE1 no hydrogen 2.954 N/A TYR 152.A N GLY 122.A O no hydrogen 2.905 N/A TYR 152.A OH ASP 155.A O no hydrogen 2.547 N/A GLY 156.A N ASP 155.A OD1.B no hydrogen 2.697 N/A ILE 157.A N ALA 143.A O no hydrogen 3.333 N/A LEU 158.A N MET 167.A O no hydrogen 2.849 N/A VAL 159.A N VAL 141.A O no hydrogen 2.838 N/A SER 161.A OG VAL 159.A O no hydrogen 2.838 N/A LEU 164.A N SER 161.A O no hydrogen 2.908 N/A ASN 165.A N ASP 162.A O no hydrogen 3.043 N/A GLY 166.A N LEU 158.A O no hydrogen 2.917 N/A MET 167.A N LEU 164.A O no hydrogen 3.065 N/A VAL 169.A N ASP 155.A OD1.B no hydrogen 3.301 N/A ALA 171.A N SER 168.A OG no hydrogen 3.152 N/A ALA 172.A N SER 168.A O no hydrogen 2.899 N/A LYS 173.A N VAL 169.A O no hydrogen 2.892 N/A ARG 174.A N PRO 170.A O no hydrogen 3.303 N/A ALA 175.A N ALA 171.A O no hydrogen 2.977 N/A ILE 176.A N ALA 172.A O no hydrogen 2.922 N/A VAL 177.A N LYS 173.A O no hydrogen 3.141 N/A ASP 178.A N ARG 174.A O no hydrogen 3.014 N/A ARG 179.A N ALA 175.A O no hydrogen 2.959 N/A ARG 179.A NE.A ARG 179.A O no hydrogen 2.977 N/A ARG 179.A NE.A SER 182.A OG no hydrogen 2.714 N/A ARG 179.A NH2.A SER 182.A OG no hydrogen 2.729 N/A LEU 180.A N ILE 176.A O no hydrogen 2.838 N/A GLU 181.A N VAL 177.A O no hydrogen 2.839 N/A SER 182.A N ASP 178.A O no hydrogen 2.883 N/A SER 182.A OG ASP 178.A O no hydrogen 3.500 N/A SER 182.A OG ARG 179.A O no hydrogen 2.848 N/A ALA 183.A N ARG 179.A O no hydrogen 3.019 N/A GLY 184.A N GLU 181.A O no hydrogen 3.045 N/A ARG 185.A N LEU 180.A O no hydrogen 2.841 N/A ARG 185.A NH2 ASP 12.A OD1 no hydrogen 2.833 N/A ARG 187.A N VAL 3.A O no hydrogen 2.988 N/A ARG 187.A NH1 GLU 181.A OE2 no hydrogen 2.862 N/A ARG 189.A N.A GLY 1.A O no hydrogen 2.977 N/A ARG 189.A N.B GLY 1.A O no hydrogen 2.944 N/A ARG 189.A NH1.A ALA 188.A O no hydrogen 3.037 N/A