Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ccg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH.B GLU 40.A OE2 no hydrogen 1.834 N/A LYS 6.A N SER 3.A OG no hydrogen 3.022 N/A ILE 7.A N SER 3.A O no hydrogen 2.980 N/A THR 8.A N TYR 4.A O.A no hydrogen 2.891 N/A THR 8.A N TYR 4.A O.B no hydrogen 2.919 N/A THR 8.A OG1 TYR 4.A O.A no hydrogen 3.465 N/A THR 8.A OG1 TYR 4.A O.B no hydrogen 3.119 N/A THR 8.A OG1 ASP 5.A O no hydrogen 3.019 N/A ASP 9.A N.A ASP 5.A O no hydrogen 3.056 N/A ASP 9.A N.B ASP 5.A O no hydrogen 3.070 N/A TYR 10.A N LYS 6.A O no hydrogen 2.933 N/A LEU 11.A N ILE 7.A O no hydrogen 2.830 N/A ASN 13.A N TYR 10.A O no hydrogen 3.015 N/A ASN 13.A ND2 TYR 10.A O no hydrogen 2.949 N/A LEU 14.A N LEU 11.A O no hydrogen 2.807 N/A TYR 19.A N GLY 15.A O no hydrogen 2.993 N/A LYS 20.A N GLU 16.A O no hydrogen 2.949 N/A HIS 21.A N LYS 17.A O no hydrogen 2.957 N/A HIS 21.A ND1 GLU 129.A OE2 no hydrogen 2.835 N/A SER 22.A N ARG 18.A O no hydrogen 2.979 N/A SER 22.A OG ARG 18.A O no hydrogen 2.952 N/A LEU 23.A N TYR 19.A O no hydrogen 2.973 N/A GLY 24.A N LYS 20.A O no hydrogen 2.989 N/A VAL 25.A N HIS 21.A O no hydrogen 2.825 N/A THR 27.A N GLY 24.A O no hydrogen 2.908 N/A THR 27.A OG1 GLY 24.A O no hydrogen 2.874 N/A ALA 28.A N VAL 25.A O no hydrogen 2.763 N/A ARG 30.A N ASP 26.A O no hydrogen 2.942 N/A ARG 30.A NH1 ASP 145.A OD1 no hydrogen 2.781 N/A LEU 31.A N THR 27.A O no hydrogen 2.865 N/A ALA 32.A N ALA 28.A O no hydrogen 2.899 N/A GLY 33.A N VAL 29.A O no hydrogen 3.086 N/A ILE 34.A N ARG 30.A O no hydrogen 3.154 N/A TYR 35.A N LEU 31.A O no hydrogen 2.933 N/A TYR 35.A OH ALA 144.A O no hydrogen 2.585 N/A GLU 37.A N ALA 32.A O no hydrogen 2.888 N/A ASP 38.A N GLU 37.A OE2 no hydrogen 2.781 N/A LYS 41.A N ASP 38.A OD1 no hydrogen 2.868 N/A LYS 41.A NZ ASP 101.A OD2 no hydrogen 2.811 N/A ALA 42.A N ASP 38.A O no hydrogen 3.152 N/A ARG 43.A N.A THR 39.A O no hydrogen 2.832 N/A ARG 43.A N.B THR 39.A O no hydrogen 2.809 N/A ARG 43.A NE.A GLU 40.A OE1 no hydrogen 3.074 N/A ARG 43.A NH1.B GLU 40.A OE2 no hydrogen 3.239 N/A ILE 44.A N GLU 40.A O no hydrogen 2.934 N/A ALA 45.A N LYS 41.A O no hydrogen 2.959 N/A GLY 46.A N ALA 42.A O no hydrogen 2.898 N/A LEU 47.A N ARG 43.A O.A no hydrogen 2.927 N/A LEU 47.A N ARG 43.A O.B no hydrogen 2.891 N/A VAL 48.A N ILE 44.A O no hydrogen 3.025 N/A HIS 49.A ND1 GLY 46.A O no hydrogen 2.841 N/A CYS 51.A N VAL 48.A O no hydrogen 2.878 N/A CYS 51.A SG VAL 48.A O no hydrogen 3.395 N/A CYS 51.A SG GLY 87.A O no hydrogen 3.466 N/A LYS 53.A N ASP 50.A O no hydrogen 2.926 N/A LEU 55.A N ALA 52.A O no hydrogen 3.258 N/A LYS 59.A NZ GLU 62.A OE1.B no hydrogen 2.551 N/A ILE 60.A N PRO 56.A O no hydrogen 2.964 N/A ILE 61.A N GLY 57.A O no hydrogen 2.902 N/A GLU 62.A N.A GLU 58.A O no hydrogen 2.963 N/A GLU 62.A N.B GLU 58.A O no hydrogen 2.951 N/A ILE 63.A N LYS 59.A O no hydrogen 2.855 N/A CYS 64.A N ILE 60.A O no hydrogen 3.058 N/A CYS 64.A SG ILE 60.A O no hydrogen 3.349 N/A THR 65.A N ILE 61.A O no hydrogen 2.887 N/A THR 65.A OG1 ILE 61.A O no hydrogen 2.844 N/A ASN 66.A N GLU 62.A O.A no hydrogen 2.968 N/A ASN 66.A N GLU 62.A O.B no hydrogen 2.765 N/A GLU 67.A N ILE 63.A O no hydrogen 3.167 N/A GLY 68.A N THR 65.A O no hydrogen 3.042 N/A TYR 69.A N CYS 64.A O no hydrogen 3.052 N/A GLY 72.A N ASP 75.A OD2 no hydrogen 2.900 N/A ASP 75.A N GLY 72.A O no hydrogen 2.879 N/A ILE 76.A N GLY 72.A O no hydrogen 3.048 N/A ARG 77.A N.A ASP 73.A O no hydrogen 2.999 N/A ARG 77.A N.B ASP 73.A O no hydrogen 2.949 N/A LEU 81.A N ASN 78.A O no hydrogen 3.094 N/A HIS 83.A N TYR 80.A O.A no hydrogen 3.157 N/A HIS 83.A N TYR 80.A O.B no hydrogen 3.133 N/A HIS 83.A ND1 TYR 80.A O.A no hydrogen 2.828 N/A HIS 83.A ND1 TYR 80.A O.B no hydrogen 2.747 N/A ALA 86.A N LEU 82.A O no hydrogen 3.045 N/A GLY 87.A N HIS 83.A O no hydrogen 2.871 N/A ARG 88.A N GLY 84.A O no hydrogen 2.890 N/A ARG 88.A NH1 ASN 104.A OD1 no hydrogen 2.859 N/A ARG 88.A NH1 GLU 107.A OE1 no hydrogen 3.001 N/A ILE 89.A N LEU 85.A O no hydrogen 3.042 N/A LEU 90.A N ALA 86.A O no hydrogen 2.898 N/A ALA 91.A N GLY 87.A O no hydrogen 2.826 N/A LYS 92.A N ARG 88.A O no hydrogen 2.932 N/A LYS 92.A NZ ASP 98.A OD1 no hydrogen 2.953 N/A LYS 93.A N ILE 89.A O no hydrogen 2.817 N/A VAL 94.A N LEU 90.A O no hydrogen 2.853 N/A ILE 95.A N LEU 90.A O no hydrogen 3.045 N/A ILE 97.A N ALA 91.A O no hydrogen 2.879 N/A VAL 102.A N ASP 99.A OD1 no hydrogen 2.952 N/A LEU 103.A N ASP 99.A O no hydrogen 2.979 N/A ASN 104.A N GLU 100.A O.A no hydrogen 2.914 N/A ASN 104.A N GLU 100.A O.B no hydrogen 2.932 N/A ALA 105.A N ASP 101.A O no hydrogen 2.908 N/A ILE 106.A N VAL 102.A O no hydrogen 3.056 N/A GLU 107.A N LEU 103.A O no hydrogen 2.877 N/A PHE 108.A N ASN 104.A O no hydrogen 2.932 N/A HIS 109.A N ILE 106.A O no hydrogen 3.359 N/A HIS 109.A ND1 ILE 106.A O no hydrogen 2.786 N/A HIS 109.A NE2 ASP 50.A OD1 no hydrogen 3.115 N/A THR 110.A OG1 LEU 81.A O no hydrogen 2.862 N/A THR 111.A OG1 GLY 112.A O no hydrogen 2.828 N/A GLY 112.A N PHE 108.A O no hydrogen 2.806 N/A ARG 113.A NE GLU 119.A OE1 no hydrogen 2.761 N/A ARG 113.A NH2 GLU 119.A OE1 no hydrogen 3.372 N/A ARG 113.A NH2 GLU 119.A OE2 no hydrogen 2.856 N/A SER 116.A OG ASP 101.A OD1 no hydrogen 2.643 N/A SER 116.A OG GLU 119.A OE2 no hydrogen 3.485 N/A GLU 119.A N SER 116.A OG no hydrogen 2.993 N/A LYS 120.A N SER 116.A O no hydrogen 2.958 N/A LYS 120.A NZ ASN 149.A OD1 no hydrogen 2.730 N/A ILE 121.A N LEU 117.A O no hydrogen 2.969 N/A ILE 122.A N LEU 118.A O no hydrogen 2.984 N/A TYR 123.A N GLU 119.A O no hydrogen 2.980 N/A TYR 123.A OH SER 154.A OG no hydrogen 3.019 N/A ILE 124.A N LYS 120.A O no hydrogen 2.979 N/A ALA 125.A N ILE 121.A O no hydrogen 2.832 N/A ASP 126.A N ILE 122.A O no hydrogen 3.291 N/A TYR 127.A N ILE 124.A O no hydrogen 2.932 N/A ILE 128.A N ILE 124.A O no hydrogen 3.086 N/A ILE 128.A N ALA 125.A O no hydrogen 3.306 N/A GLU 129.A N ALA 125.A O no hydrogen 3.025 N/A GLY 131.A N GLU 129.A OE1 no hydrogen 2.846 N/A ARG 132.A N GLU 129.A O no hydrogen 2.846 N/A ARG 132.A NE ASP 126.A O no hydrogen 2.822 N/A VAL 137.A N PHE 134.A O no hydrogen 3.070 N/A LEU 140.A N GLY 136.A O no hydrogen 3.210 N/A ARG 141.A N VAL 137.A O no hydrogen 2.908 N/A ARG 141.A NE ILE 128.A O no hydrogen 2.924 N/A ARG 141.A NH2 ILE 128.A O no hydrogen 3.391 N/A ARG 141.A NH2 GLU 129.A O no hydrogen 2.972 N/A ARG 141.A NH2 ARG 132.A O no hydrogen 2.925 N/A LYS 142.A N ASP 138.A O no hydrogen 2.965 N/A ALA 143.A N GLU 139.A O no hydrogen 2.871 N/A ALA 144.A N LEU 140.A O no hydrogen 2.891 N/A ASP 145.A N ARG 141.A O no hydrogen 3.153 N/A GLU 146.A N ALA 143.A O no hydrogen 3.107 N/A ASP 147.A N ALA 143.A O no hydrogen 2.660 N/A LYS 150.A N ASP 147.A OD1 no hydrogen 3.271 N/A ALA 151.A N ASP 147.A O no hydrogen 3.015 N/A LEU 152.A N.A LEU 148.A O no hydrogen 2.983 N/A LEU 152.A N.B LEU 148.A O no hydrogen 2.945 N/A LEU 153.A N ASN 149.A O no hydrogen 2.992 N/A SER 154.A OG TYR 123.A OH no hydrogen 3.019 N/A PHE 155.A N LEU 152.A O.A no hydrogen 2.785 N/A PHE 155.A N LEU 152.A O.B no hydrogen 2.964 N/A ASP 156.A N LEU 153.A O no hydrogen 2.958 N/A THR 158.A N SER 154.A O no hydrogen 2.879 N/A THR 158.A OG1 SER 154.A O no hydrogen 3.140 N/A ILE 159.A N PHE 155.A O no hydrogen 2.922 N/A LYS 160.A N ASP 156.A O no hydrogen 3.032 N/A PHE 161.A N ASN 157.A O.A no hydrogen 2.925 N/A PHE 161.A N ASN 157.A O.B no hydrogen 2.902 N/A VAL 162.A N THR 158.A O no hydrogen 2.883 N/A ILE 163.A N ILE 159.A O no hydrogen 2.963 N/A ASP 164.A N.A LYS 160.A O no hydrogen 2.904 N/A ASP 164.A N.B LYS 160.A O no hydrogen 2.934 N/A LYS 165.A N PHE 161.A O no hydrogen 2.967 N/A GLY 166.A N ILE 163.A O no hydrogen 3.032 N/A GLY 167.A N VAL 162.A O no hydrogen 2.919 N/A HIS 171.A ND1 GLU 175.A OE1 no hydrogen 2.855 N/A ASN 172.A N HIS 170.A ND1 no hydrogen 2.912 N/A THR 173.A N HIS 170.A O no hydrogen 3.057 N/A THR 173.A OG1 THR 111.A O no hydrogen 2.806 N/A ILE 174.A N HIS 170.A O no hydrogen 3.308 N/A GLU 175.A N HIS 171.A O no hydrogen 2.807 N/A ALA 176.A N ASN 172.A O no hydrogen 2.799 N/A ARG 177.A N THR 173.A O no hydrogen 3.004 N/A ARG 177.A NE ASP 156.A OD1 no hydrogen 2.690 N/A ASN 178.A N ILE 174.A O no hydrogen 2.932 N/A TYR 179.A N GLU 175.A O no hydrogen 2.958 N/A LEU 180.A N ALA 176.A O no hydrogen 3.185 N/A ILE 181.A N ARG 177.A O no hydrogen 2.962 N/A SER 182.A N ASN 178.A O no hydrogen 2.958 N/A SER 182.A OG TYR 179.A O no hydrogen 2.879 N/A ARG 183.A N LEU 180.A O no hydrogen 3.219 N/A LYS 184.A N ILE 181.A O no hydrogen 3.216 N/A