Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nn1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE LYS 202.A O no hydrogen 2.835 N/A ARG 2.A NH1 ASP 125.A OD2 no hydrogen 3.012 N/A ARG 2.A NH2 ASP 125.A OD1 no hydrogen 2.787 N/A ARG 2.A NH2 LYS 202.A O no hydrogen 2.965 N/A GLY 3.A N LEU 84.A O no hydrogen 2.864 N/A ALA 4.A N THR 89.A OG1 no hydrogen 2.952 N/A LEU 5.A N ASP 125.A OD2 no hydrogen 2.779 N/A ILE 6.A N LEU 90.A O no hydrogen 2.841 N/A VAL 7.A N LEU 126.A O no hydrogen 2.855 N/A LEU 8.A N VAL 92.A O no hydrogen 2.813 N/A GLU 9.A N LEU 128.A O no hydrogen 2.859 N/A ASP 12.A N.B GLN 154.A OE1 no hydrogen 3.094 N/A ARG 13.A NE.A ASP 12.A OD2.A no hydrogen 3.117 N/A ARG 13.A NE.B ASP 12.A OD2.A no hydrogen 3.088 N/A ARG 13.A NH1.A ARG 140.A O no hydrogen 3.370 N/A ARG 13.A NH1.B ARG 140.A O no hydrogen 3.345 N/A ALA 14.A N VAL 11.A O.A no hydrogen 2.690 N/A LYS 16.A NZ GLY 10.A O.A no hydrogen 3.354 N/A LYS 16.A NZ VAL 11.A O.A no hydrogen 3.470 N/A LYS 16.A NZ VAL 11.A O.B no hydrogen 2.810 N/A SER 17.A OG ASP 93.A OD2 no hydrogen 2.500 N/A GLN 19.A N GLY 15.A O no hydrogen 2.818 N/A GLN 19.A NE2 ILE 181.A O no hydrogen 3.099 N/A SER 20.A N LYS 16.A O no hydrogen 2.871 N/A SER 20.A OG LYS 16.A O no hydrogen 2.688 N/A ARG 21.A N SER 17.A O no hydrogen 3.120 N/A LYS 22.A N THR 18.A O no hydrogen 2.955 N/A LYS 22.A NZ GLU 182.A OE2 no hydrogen 3.206 N/A LEU 23.A N GLN 19.A O no hydrogen 2.838 N/A VAL 24.A N SER 20.A O no hydrogen 3.115 N/A GLU 25.A N ARG 21.A O no hydrogen 3.136 N/A ALA 26.A N LYS 22.A O no hydrogen 3.035 N/A LEU 27.A N LEU 23.A O no hydrogen 2.899 N/A CYS 28.A N VAL 24.A O no hydrogen 2.928 N/A CYS 28.A SG VAL 24.A O no hydrogen 3.373 N/A CYS 28.A SG HIS 32.A O no hydrogen 3.946 N/A CYS 28.A SG ALA 34.A O no hydrogen 3.323 N/A ALA 29.A N GLU 25.A O no hydrogen 3.045 N/A ALA 30.A N ALA 26.A O no hydrogen 3.053 N/A ALA 30.A N LEU 27.A O no hydrogen 2.954 N/A GLY 31.A N CYS 28.A O no hydrogen 3.182 N/A HIS 32.A N LEU 27.A O no hydrogen 3.016 N/A HIS 32.A NE2 GLU 193.A OE1 no hydrogen 2.797 N/A HIS 32.A NE2 GLU 193.A OE2 no hydrogen 3.100 N/A ARG 33.A NH2 GLN 86.A O no hydrogen 2.434 N/A GLU 35.A N THR 89.A O no hydrogen 2.940 N/A LEU 37.A N VAL 91.A O no hydrogen 2.831 N/A ARG 38.A NH1 GLU 41.A OE1 no hydrogen 2.579 N/A PHE 39.A N ASP 93.A O no hydrogen 2.992 N/A GLU 41.A N ASN 72.A OD1 no hydrogen 2.849 N/A ARG 42.A NH1 SER 51.A OG no hydrogen 2.632 N/A ARG 42.A NH1 GLU 146.A OE1 no hydrogen 3.246 N/A ARG 42.A NH2 GLU 146.A OE1 no hydrogen 3.235 N/A ARG 42.A NH2 GLU 146.A OE2 no hydrogen 3.332 N/A SER 43.A N GLU 41.A OE2 no hydrogen 3.345 N/A SER 43.A OG GLU 41.A OE2 no hydrogen 2.582 N/A THR 44.A OG1 GLU 75.A OE1 no hydrogen 2.579 N/A GLY 47.A N THR 44.A OG1 no hydrogen 2.924 N/A LYS 48.A N THR 44.A O no hydrogen 2.860 N/A LEU 49.A N GLU 45.A O no hydrogen 3.318 N/A LEU 50.A N ILE 46.A O no hydrogen 3.077 N/A SER 51.A N GLY 47.A O no hydrogen 2.852 N/A SER 52.A N LYS 48.A O no hydrogen 3.072 N/A SER 52.A OG SER 58.A OG no hydrogen 2.892 N/A TYR 53.A N LEU 49.A O no hydrogen 3.019 N/A TYR 53.A OH TYR 148.A OH no hydrogen 3.212 N/A LEU 54.A N LEU 50.A O no hydrogen 2.833 N/A GLN 55.A N SER 51.A O no hydrogen 2.943 N/A GLN 55.A NE2 SER 51.A O no hydrogen 3.387 N/A GLN 55.A NE2 SER 51.A OG no hydrogen 2.725 N/A LYS 56.A N TYR 53.A O no hydrogen 3.063 N/A LYS 56.A NZ HIS 145.A O no hydrogen 2.988 N/A LYS 57.A N SER 52.A O no hydrogen 2.877 N/A LYS 57.A NZ GLN 55.A OE1 no hydrogen 2.380 N/A SER 58.A OG SER 52.A OG no hydrogen 2.892 N/A HIS 63.A ND1 GLU 61.A OE1 no hydrogen 2.842 N/A SER 64.A N GLU 61.A OE2 no hydrogen 2.921 N/A VAL 65.A N GLU 61.A O no hydrogen 2.930 N/A HIS 66.A N ASP 62.A O no hydrogen 3.149 N/A HIS 66.A ND1 THR 103.A OG1 no hydrogen 2.668 N/A HIS 66.A NE2 CYS 114.A O no hydrogen 2.773 N/A LEU 67.A N HIS 63.A O no hydrogen 3.076 N/A LEU 68.A N SER 64.A O no hydrogen 2.839 N/A PHE 69.A N VAL 65.A O no hydrogen 2.878 N/A SER 70.A N HIS 66.A O no hydrogen 3.165 N/A SER 70.A OG ASP 118.A OD1 no hydrogen 2.794 N/A ALA 71.A N LEU 67.A O no hydrogen 2.794 N/A ASN 72.A N LEU 68.A O no hydrogen 2.946 N/A ASN 72.A ND2 GLU 41.A O no hydrogen 3.060 N/A ASN 72.A ND2 GLU 75.A OE1 no hydrogen 2.888 N/A ARG 73.A N SER 70.A O no hydrogen 2.856 N/A ARG 73.A NE ASP 118.A OD1 no hydrogen 2.998 N/A ARG 73.A NH2 ASP 118.A OD1 no hydrogen 3.525 N/A ARG 73.A NH2 ASP 118.A OD2 no hydrogen 2.928 N/A TRP 74.A N SER 70.A O no hydrogen 3.006 N/A TRP 74.A NE1 PRO 117.A O no hydrogen 2.844 N/A GLU 75.A N ALA 71.A O no hydrogen 2.923 N/A GLN 76.A N ARG 73.A O no hydrogen 2.971 N/A VAL 77.A N TRP 74.A O no hydrogen 2.878 N/A ILE 80.A N GLN 76.A O no hydrogen 3.017 N/A LYS 81.A N VAL 77.A O no hydrogen 2.837 N/A GLU 82.A N PRO 78.A O no hydrogen 2.967 N/A LYS 83.A N LEU 79.A O no hydrogen 2.862 N/A LYS 83.A NZ GLU 35.A OE1 no hydrogen 2.865 N/A LYS 83.A NZ GLU 35.A OE2 no hydrogen 3.442 N/A LEU 84.A N ILE 80.A O no hydrogen 2.984 N/A SER 85.A N LYS 81.A O no hydrogen 2.986 N/A SER 85.A OG LYS 81.A O no hydrogen 3.420 N/A SER 85.A OG GLU 82.A O no hydrogen 2.811 N/A GLN 86.A N GLU 82.A O no hydrogen 3.111 N/A GLN 86.A N LYS 83.A O no hydrogen 3.097 N/A GLY 87.A N LEU 84.A O no hydrogen 2.817 N/A VAL 88.A N LYS 83.A O no hydrogen 3.024 N/A THR 89.A N ARG 33.A O no hydrogen 2.888 N/A LEU 90.A N ALA 4.A O no hydrogen 2.840 N/A VAL 91.A N GLU 35.A O no hydrogen 2.960 N/A VAL 92.A N ILE 6.A O no hydrogen 2.735 N/A ASP 93.A N LEU 37.A O no hydrogen 2.933 N/A ARG 94.A N LEU 8.A O no hydrogen 3.031 N/A ARG 94.A NH1 SER 98.A OG no hydrogen 2.792 N/A ARG 94.A NH2 ASP 12.A OD1.B no hydrogen 2.964 N/A TYR 95.A N GLU 9.A OE1 no hydrogen 2.849 N/A TYR 95.A OH PRO 122.A O no hydrogen 2.676 N/A SER 98.A N GLU 9.A OE1 no hydrogen 2.924 N/A SER 98.A OG GLU 9.A OE1 no hydrogen 3.517 N/A SER 98.A OG GLU 9.A OE2 no hydrogen 2.499 N/A GLY 99.A N TYR 95.A O no hydrogen 3.401 N/A VAL 100.A N ALA 96.A O no hydrogen 2.881 N/A ALA 101.A N PHE 97.A O no hydrogen 2.845 N/A PHE 102.A N SER 98.A O no hydrogen 2.976 N/A THR 103.A N GLY 99.A O no hydrogen 3.304 N/A THR 103.A OG1 HIS 66.A ND1 no hydrogen 2.668 N/A THR 103.A OG1 GLY 99.A O no hydrogen 3.553 N/A GLY 104.A N VAL 100.A O no hydrogen 2.860 N/A ALA 105.A N PHE 102.A O no hydrogen 3.341 N/A LYS 106.A N THR 103.A O no hydrogen 2.815 N/A LYS 106.A NZ TYR 53.A OH no hydrogen 3.104 N/A LYS 106.A NZ ASP 62.A OD2 no hydrogen 2.854 N/A LYS 106.A NZ TYR 148.A OH no hydrogen 2.862 N/A TRP 113.A N SER 110.A OG no hydrogen 3.046 N/A CYS 114.A N SER 110.A O no hydrogen 3.006 N/A CYS 114.A SG SER 110.A O no hydrogen 3.197 N/A LYS 115.A N LEU 111.A O no hydrogen 2.886 N/A LYS 115.A N ASP 112.A O no hydrogen 3.115 N/A GLN 116.A N ASP 112.A O no hydrogen 3.291 N/A GLN 116.A N TRP 113.A O no hydrogen 3.317 N/A GLN 116.A NE2 ASP 112.A O no hydrogen 3.074 N/A ASP 118.A N LYS 115.A O no hydrogen 3.107 N/A VAL 119.A N GLN 116.A O no hydrogen 3.020 N/A GLY 120.A N LEU 207.A O no hydrogen 2.829 N/A LEU 121.A N ASP 118.A O no hydrogen 3.133 N/A LYS 123.A N GLY 205.A O no hydrogen 2.898 N/A LYS 123.A NZ THR 169.A O no hydrogen 2.788 N/A ASP 125.A N LEU 5.A O no hydrogen 2.706 N/A LEU 126.A N LEU 5.A O no hydrogen 3.334 N/A VAL 127.A N ASN 171.A O no hydrogen 2.953 N/A LEU 128.A N VAL 7.A O no hydrogen 2.821 N/A PHE 129.A N LYS 173.A O no hydrogen 2.878 N/A LEU 130.A N GLU 9.A O no hydrogen 2.991 N/A GLN 131.A N VAL 175.A O no hydrogen 2.810 N/A ALA 137.A N GLN 133.A O no hydrogen 3.105 N/A ALA 138.A N ALA 135.A O no hydrogen 2.993 N/A LYS 139.A N ASP 136.A O no hydrogen 3.219 N/A ARG 140.A NH1 ARG 13.A O.A no hydrogen 3.209 N/A ARG 140.A NH1 ARG 13.A O.B no hydrogen 3.438 N/A ARG 140.A NH1 ALA 14.A O no hydrogen 3.335 N/A ARG 140.A NH1 ALA 177.A O no hydrogen 3.568 N/A ARG 140.A NH2 ALA 177.A O no hydrogen 2.872 N/A GLY 144.A N GLU 149.A OE1 no hydrogen 3.068 N/A GLU 146.A N GLU 149.A OE2 no hydrogen 2.975 N/A ARG 147.A N LEU 54.A O no hydrogen 2.928 N/A ARG 147.A NE TYR 53.A O no hydrogen 2.842 N/A ARG 147.A NH2 TYR 53.A O no hydrogen 2.743 N/A TYR 148.A OH TYR 53.A OH no hydrogen 3.212 N/A GLU 149.A N GLU 146.A O no hydrogen 3.327 N/A PHE 153.A N ASN 150.A OD1 no hydrogen 2.958 N/A GLN 154.A N ASN 150.A O no hydrogen 3.113 N/A GLN 154.A NE2 TYR 148.A O no hydrogen 3.034 N/A GLU 155.A N GLY 151.A O no hydrogen 3.145 N/A ARG 156.A N ALA 152.A O no hydrogen 3.282 N/A ARG 156.A NE ALA 105.A O no hydrogen 2.655 N/A ARG 156.A NH2 ALA 105.A O no hydrogen 3.455 N/A ALA 157.A N PHE 153.A O no hydrogen 2.915 N/A LEU 158.A N GLN 154.A O no hydrogen 2.904 N/A ARG 159.A N GLU 155.A O no hydrogen 3.136 N/A CYS 160.A N ARG 156.A O no hydrogen 3.288 N/A CYS 160.A SG ALA 101.A O no hydrogen 3.795 N/A CYS 160.A SG ARG 156.A O no hydrogen 3.476 N/A PHE 161.A N ALA 157.A O no hydrogen 2.820 N/A HIS 162.A N LEU 158.A O no hydrogen 2.889 N/A GLN 163.A N ARG 159.A O no hydrogen 3.070 N/A LEU 164.A N CYS 160.A O no hydrogen 3.018 N/A MET 165.A N PHE 161.A O no hydrogen 3.161 N/A LYS 166.A N GLN 163.A O no hydrogen 3.141 N/A ASP 167.A N LEU 164.A O no hydrogen 2.973 N/A THR 169.A N ASP 167.A OD1 no hydrogen 2.940 N/A THR 169.A OG1 ASP 167.A OD1 no hydrogen 2.665 N/A LEU 170.A N ASP 167.A O no hydrogen 3.043 N/A ASN 171.A ND2 ASP 125.A O no hydrogen 2.923 N/A TRP 172.A N LEU 170.A O no hydrogen 3.040 N/A LYS 173.A N VAL 127.A O no hydrogen 2.887 N/A VAL 175.A N PHE 129.A O no hydrogen 2.835 N/A ALA 177.A N GLN 131.A O no hydrogen 2.877 N/A SER 178.A N ASP 176.A OD1 no hydrogen 3.060 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 2.647 N/A LYS 179.A NZ ASP 187.A OD2 no hydrogen 2.752 N/A ALA 183.A N SER 180.A OG no hydrogen 2.954 N/A VAL 184.A N SER 180.A O no hydrogen 2.907 N/A HIS 185.A N ILE 181.A O no hydrogen 3.035 N/A GLU 186.A N GLU 182.A O no hydrogen 3.057 N/A ASP 187.A N ALA 183.A O no hydrogen 3.125 N/A ILE 188.A N VAL 184.A O no hydrogen 2.916 N/A ARG 189.A N HIS 185.A O no hydrogen 2.755 N/A ARG 189.A NE GLU 186.A OE1 no hydrogen 2.895 N/A ARG 189.A NH2 GLU 186.A OE1 no hydrogen 3.439 N/A ARG 189.A NH2 GLU 186.A OE2 no hydrogen 2.883 N/A VAL 190.A N GLU 186.A O no hydrogen 3.144 N/A LEU 191.A N ASP 187.A O no hydrogen 3.155 N/A SER 192.A N ILE 188.A O no hydrogen 2.892 N/A SER 192.A OG ILE 188.A O no hydrogen 2.768 N/A GLU 193.A N ARG 189.A O no hydrogen 2.877 N/A ASP 194.A N VAL 190.A O no hydrogen 3.156 N/A ALA 195.A N LEU 191.A O no hydrogen 3.079 N/A ILE 196.A N SER 192.A O no hydrogen 2.814 N/A ALA 197.A N GLU 193.A O no hydrogen 3.094 N/A THR 198.A N.A ASP 194.A O no hydrogen 3.116 N/A THR 198.A N.A ALA 195.A O no hydrogen 3.202 N/A THR 198.A N.B ASP 194.A O no hydrogen 2.893 N/A THR 198.A OG1.A ALA 195.A O no hydrogen 3.484 N/A THR 198.A OG1.B ASP 194.A O no hydrogen 3.067 N/A ALA 199.A N.A ALA 195.A O no hydrogen 2.851 N/A ALA 199.A N.B ALA 195.A O no hydrogen 2.838 N/A THR 200.A OG1.A ALA 197.A O no hydrogen 3.373 N/A THR 200.A OG1.B ILE 196.A O no hydrogen 2.780 N/A THR 200.A OG1.B ALA 197.A O no hydrogen 3.544 N/A GLU 201.A N.A THR 198.A O.A no hydrogen 2.874 N/A GLU 201.A N.B THR 198.A O.A no hydrogen 1.998 N/A LYS 202.A NZ ASP 125.A OD1 no hydrogen 3.386 N/A LYS 202.A NZ ALA 199.A O.B no hydrogen 2.548 N/A LEU 207.A N LEU 121.A O no hydrogen 2.751 N/A