Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cc8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 ASP 80.A OD2 no hydrogen 3.017 N/A ASN 5.A N ASN 3.A OD1 no hydrogen 2.906 N/A ASN 5.A ND2 ASN 3.A OD1 no hydrogen 3.297 N/A LEU 6.A N ASN 3.A O no hydrogen 3.046 N/A HIS 9.A N LEU 6.A O no hydrogen 2.985 N/A HIS 9.A NE2 ASP 160.A OD2 no hydrogen 2.858 N/A ILE 10.A N LEU 7.A O no hydrogen 3.054 N/A GLU 13.A N GLU 13.A OE1 no hydrogen 2.865 N/A TRP 14.A N LYS 11.A O no hydrogen 3.135 N/A LYS 15.A N ASP 74.A OD2 no hydrogen 2.950 N/A GLU 16.A N ASP 74.A OD2 no hydrogen 2.898 N/A VAL 17.A N ARG 37.A O no hydrogen 2.879 N/A LEU 18.A N CYS 75.A O no hydrogen 2.972 N/A ASP 19.A N SER 39.A O no hydrogen 2.788 N/A ILE 20.A N ILE 77.A O no hydrogen 2.852 N/A GLY 21.A N ILE 41.A O no hydrogen 2.743 N/A CYS 22.A N ILE 41.A O no hydrogen 2.995 N/A CYS 22.A SG SER 23.A O no hydrogen 3.603 N/A SER 23.A N GLU 42.A OE1 no hydrogen 2.888 N/A GLY 25.A N CYS 22.A O no hydrogen 2.863 N/A ALA 29.A N GLY 25.A O no hydrogen 2.870 N/A ALA 30.A N ALA 26.A O no hydrogen 3.126 N/A ILE 31.A N LEU 27.A O no hydrogen 3.074 N/A LYS 32.A N GLY 28.A O no hydrogen 2.877 N/A LYS 32.A NZ ASP 56.A OD1 no hydrogen 3.103 N/A LYS 32.A NZ ASP 56.A OD2 no hydrogen 2.762 N/A GLU 33.A N ALA 30.A O no hydrogen 3.194 N/A ASN 34.A N ILE 31.A O no hydrogen 3.109 N/A GLY 35.A N LYS 32.A O no hydrogen 2.890 N/A THR 36.A OG1 TRP 14.A O no hydrogen 2.609 N/A ARG 37.A N LYS 15.A O no hydrogen 2.813 N/A ARG 37.A NH1 GLU 16.A OE1 no hydrogen 3.039 N/A VAL 38.A N ASP 56.A OD2 no hydrogen 2.928 N/A SER 39.A N VAL 17.A O no hydrogen 2.883 N/A GLY 40.A N HIS 57.A O no hydrogen 2.788 N/A ILE 41.A N ASP 19.A O no hydrogen 2.956 N/A GLU 42.A N VAL 59.A O no hydrogen 3.011 N/A PHE 44.A N.A GLU 42.A OE2 no hydrogen 3.157 N/A PHE 44.A N.B GLU 42.A OE2 no hydrogen 3.138 N/A ALA 48.A N PHE 44.A O.A no hydrogen 2.958 N/A ALA 48.A N PHE 44.A O.B no hydrogen 2.861 N/A GLU 49.A N PRO 45.A O no hydrogen 2.868 N/A GLN 50.A N GLU 46.A O no hydrogen 3.329 N/A GLN 50.A NE2 GLU 46.A O no hydrogen 3.390 N/A ALA 51.A N ALA 47.A O no hydrogen 2.922 N/A LYS 52.A N ALA 48.A O no hydrogen 3.009 N/A GLU 53.A N GLN 50.A O no hydrogen 3.246 N/A LYS 54.A N ALA 51.A O no hydrogen 3.006 N/A LYS 54.A NZ SER 24.A O no hydrogen 2.889 N/A LEU 55.A N ALA 51.A O no hydrogen 2.911 N/A ASP 56.A N VAL 38.A O no hydrogen 2.907 N/A VAL 59.A N GLY 40.A O no hydrogen 2.928 N/A GLY 61.A N GLU 42.A O no hydrogen 2.917 N/A GLU 64.A N ASP 62.A OD1 no hydrogen 3.015 N/A THR 65.A N ASP 62.A O no hydrogen 3.043 N/A THR 65.A OG1 ASP 62.A OD2 no hydrogen 3.309 N/A GLU 69.A N GLN 72.A OE1 no hydrogen 2.927 N/A GLU 71.A N PRO 97.A O no hydrogen 2.900 N/A GLN 72.A N GLU 69.A O no hydrogen 3.284 N/A GLN 72.A NE2 GLU 16.A OE1 no hydrogen 3.017 N/A PHE 73.A N TYR 98.A O no hydrogen 2.883 N/A ASP 74.A N GLU 16.A O no hydrogen 2.916 N/A CYS 75.A SG VAL 104.A O no hydrogen 3.898 N/A VAL 76.A N VAL 104.A O no hydrogen 2.939 N/A ILE 77.A N LEU 18.A O no hydrogen 2.807 N/A PHE 78.A N LEU 106.A O no hydrogen 2.846 N/A ASP 80.A N SER 108.A O.A no hydrogen 3.193 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.744 N/A HIS 84.A N VAL 81.A O.A no hydrogen 2.866 N/A HIS 84.A N VAL 81.A O.B no hydrogen 2.985 N/A LEU 85.A N LEU 82.A O no hydrogen 3.208 N/A PHE 86.A N GLU 64.A OE2 no hydrogen 2.907 N/A ASP 87.A N GLU 64.A OE1 no hydrogen 2.840 N/A ALA 90.A N ASP 87.A OD1 no hydrogen 3.023 N/A VAL 91.A N ASP 87.A O no hydrogen 3.197 N/A ILE 92.A N PRO 88.A O no hydrogen 3.058 N/A GLU 93.A N.A TRP 89.A O no hydrogen 3.420 N/A GLU 93.A N.B TRP 89.A O no hydrogen 3.386 N/A GLU 93.A N.C TRP 89.A O no hydrogen 3.418 N/A LYS 94.A N ALA 90.A O no hydrogen 2.876 N/A LYS 94.A NZ ILE 63.A O no hydrogen 2.809 N/A VAL 95.A N VAL 91.A O no hydrogen 3.109 N/A LYS 96.A N GLU 93.A O.A no hydrogen 3.184 N/A LYS 96.A N GLU 93.A O.B no hydrogen 3.137 N/A LYS 96.A N GLU 93.A O.C no hydrogen 3.188 N/A LYS 96.A NZ ALA 152.A O no hydrogen 3.051 N/A LYS 96.A NZ GLY 153.A O no hydrogen 2.972 N/A LYS 96.A NZ SER 203.A O no hydrogen 3.001 N/A TYR 98.A N VAL 95.A O no hydrogen 3.006 N/A ILE 99.A N LYS 96.A O no hydrogen 3.085 N/A LYS 100.A N PHE 73.A O no hydrogen 2.836 N/A LYS 100.A NZ ASP 74.A OD1 no hydrogen 3.127 N/A LYS 100.A NZ ASP 74.A OD2 no hydrogen 2.976 N/A GLY 103.A N LYS 100.A O no hydrogen 2.794 N/A VAL 104.A N ASP 74.A O no hydrogen 3.014 N/A ILE 105.A N ALA 200.A O no hydrogen 2.794 N/A LEU 106.A N VAL 76.A O no hydrogen 3.012 N/A ALA 107.A N ILE 198.A O no hydrogen 2.871 N/A SER 108.A N.A PHE 78.A O no hydrogen 3.047 N/A SER 108.A N.B PHE 78.A O no hydrogen 3.051 N/A SER 108.A OG.A ASP 80.A OD1 no hydrogen 2.669 N/A SER 108.A OG.B ASP 80.A OD1 no hydrogen 2.652 N/A ILE 109.A N TYR 196.A O no hydrogen 2.883 N/A ASN 111.A N PHE 194.A O no hydrogen 3.027 N/A ASN 111.A ND2 SER 113.A OG no hydrogen 3.146 N/A ASN 111.A ND2 VAL 193.A O no hydrogen 2.860 N/A VAL 112.A N PHE 142.A O no hydrogen 2.972 N/A SER 113.A N ASN 111.A OD1 no hydrogen 3.076 N/A SER 113.A OG ASN 111.A OD1 no hydrogen 3.075 N/A HIS 114.A N ASN 111.A O no hydrogen 3.098 N/A HIS 114.A ND1 SER 116.A OG no hydrogen 2.754 N/A ILE 115.A N THR 191.A O.A no hydrogen 2.938 N/A ILE 115.A N THR 191.A O.B no hydrogen 3.025 N/A SER 116.A N HIS 114.A ND1 no hydrogen 3.240 N/A SER 116.A OG HIS 114.A ND1 no hydrogen 2.754 N/A VAL 117.A N HIS 114.A O no hydrogen 2.863 N/A LEU 118.A N.A HIS 114.A O no hydrogen 3.029 N/A LEU 118.A N.B HIS 114.A O no hydrogen 3.019 N/A ALA 119.A N ILE 115.A O no hydrogen 2.814 N/A LEU 121.A N VAL 117.A O no hydrogen 3.099 N/A LEU 122.A N LEU 118.A O.A no hydrogen 2.982 N/A LEU 122.A N LEU 118.A O.B no hydrogen 2.907 N/A ALA 123.A N ALA 119.A O no hydrogen 3.011 N/A GLY 124.A N LEU 121.A O no hydrogen 2.931 N/A ASN 125.A N PRO 120.A O no hydrogen 2.784 N/A TRP 126.A NE1 TYR 128.A OH no hydrogen 3.182 N/A THR 129.A N LEU 134.A O no hydrogen 2.890 N/A THR 129.A OG1 TYR 131.A O no hydrogen 2.607 N/A ASP 135.A N GLY 132.A O no hydrogen 3.125 N/A LYS 136.A N THR 129.A O no hydrogen 2.877 N/A LYS 136.A NZ GLU 130.A OE1 no hydrogen 3.013 N/A LYS 136.A NZ GLU 130.A OE2 no hydrogen 3.226 N/A THR 137.A N ASP 135.A OD1 no hydrogen 2.877 N/A THR 137.A OG1 ASP 135.A OD1 no hydrogen 2.836 N/A HIS 138.A N ASP 135.A O no hydrogen 2.740 N/A HIS 138.A ND1 LEU 133.A O no hydrogen 2.825 N/A ILE 139.A N GLU 83.A O no hydrogen 2.856 N/A ARG 140.A N GLU 83.A O no hydrogen 3.093 N/A ARG 140.A NE PHE 86.A O no hydrogen 2.912 N/A ARG 140.A NH2 PHE 86.A O no hydrogen 2.859 N/A ARG 148.A N ASN 145.A O no hydrogen 2.921 N/A ARG 148.A NH1 GLU 146.A OE1 no hydrogen 3.049 N/A LEU 150.A N LEU 147.A O no hydrogen 2.917 N/A LYS 151.A N ARG 148.A O no hydrogen 2.840 N/A ALA 152.A N PHE 149.A O no hydrogen 3.198 N/A GLY 153.A N LEU 150.A O no hydrogen 3.023 N/A TYR 154.A N PHE 149.A O no hydrogen 2.932 N/A TYR 154.A OH ILE 92.A O no hydrogen 2.797 N/A SER 155.A N GLU 201.A O no hydrogen 2.862 N/A SER 157.A N.A GLU 199.A O.A no hydrogen 2.829 N/A SER 157.A N.A GLU 199.A O.B no hydrogen 2.754 N/A SER 157.A N.B GLU 199.A O.A no hydrogen 2.712 N/A SER 157.A N.B GLU 199.A O.B no hydrogen 2.647 N/A SER 157.A OG.A GLU 201.A OE1 no hydrogen 3.112 N/A SER 157.A OG.B GLU 199.A OE1.A no hydrogen 2.205 N/A LYS 158.A N GLU 199.A O.A no hydrogen 3.293 N/A LYS 158.A N GLU 199.A O.B no hydrogen 3.195 N/A ASP 160.A N ILE 197.A O no hydrogen 2.781 N/A ARG 161.A NE GLU 190.A OE1.B no hydrogen 3.264 N/A ARG 161.A NH2 GLU 190.A OE1.B no hydrogen 3.541 N/A ARG 161.A NH2 GLU 190.A OE2.B no hydrogen 3.206 N/A VAL 162.A N GLN 195.A O no hydrogen 2.851 N/A HIS 166.A ND1 VAL 164.A O no hydrogen 2.741 N/A LYS 167.A N ASP 165.A OD1 no hydrogen 3.015 N/A GLU 169.A N.A LYS 167.A O no hydrogen 3.253 N/A GLU 169.A N.B LYS 167.A O no hydrogen 3.244 N/A ILE 172.A N TYR 168.A O no hydrogen 2.782 N/A GLU 173.A N GLU 169.A O.A no hydrogen 2.768 N/A GLU 173.A N GLU 169.A O.B no hydrogen 2.802 N/A GLU 174.A N PRO 170.A O no hydrogen 2.977 N/A LEU 175.A N LEU 171.A O no hydrogen 2.948 N/A TYR 176.A N ILE 172.A O no hydrogen 2.925 N/A GLY 177.A N GLU 173.A O no hydrogen 3.098 N/A ILE 178.A N GLU 174.A O no hydrogen 3.275 N/A CYS 179.A N LEU 175.A O no hydrogen 3.033 N/A CYS 179.A SG LEU 175.A O no hydrogen 3.488 N/A LYS 180.A N TYR 176.A O no hydrogen 2.969 N/A LYS 181.A N GLY 177.A O no hydrogen 2.926 N/A TYR 182.A N ILE 178.A O no hydrogen 2.809 N/A ARG 183.A N LYS 180.A O no hydrogen 3.217 N/A LEU 184.A N CYS 179.A O no hydrogen 2.743 N/A GLU 190.A N.A GLY 187.A O no hydrogen 2.933 N/A GLU 190.A N.A PHE 188.A O no hydrogen 3.257 N/A GLU 190.A N.B GLY 187.A O no hydrogen 2.968 N/A THR 191.A N.A PHE 188.A O no hydrogen 2.857 N/A THR 191.A N.B PHE 188.A O no hydrogen 2.917 N/A THR 191.A OG1.A SER 113.A O no hydrogen 2.803 N/A THR 191.A OG1.B PHE 188.A O no hydrogen 2.752 N/A VAL 193.A N GLU 190.A O.A no hydrogen 3.114 N/A VAL 193.A N GLU 190.A O.B no hydrogen 2.896 N/A PHE 194.A N VAL 162.A O no hydrogen 2.760 N/A GLN 195.A N VAL 162.A O no hydrogen 3.348 N/A TYR 196.A N ILE 109.A O no hydrogen 2.919 N/A TYR 196.A OH GLU 190.A OE1.B no hydrogen 2.187 N/A ILE 197.A N ASP 160.A O no hydrogen 2.793 N/A ILE 198.A N ALA 107.A O no hydrogen 2.837 N/A GLU 199.A N.A LYS 158.A O no hydrogen 2.915 N/A GLU 199.A N.B LYS 158.A O no hydrogen 2.926 N/A ALA 200.A N ILE 105.A O no hydrogen 2.881 N/A GLU 201.A N SER 155.A O no hydrogen 2.782 N/A LYS 202.A N GLY 103.A O no hydrogen 3.059 N/A LYS 202.A NZ LYS 96.A O no hydrogen 3.013 N/A LYS 202.A NZ ILE 99.A O no hydrogen 2.688 N/A