Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nn1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A ND1 HIS 41.A ND1 no hydrogen 3.148 N/A ARG 6.A N THR 2.A O no hydrogen 2.944 N/A ILE 7.A N ALA 3.A O no hydrogen 3.147 N/A ARG 8.A N HIS 4.A O no hydrogen 2.927 N/A GLU 9.A N ALA 5.A O no hydrogen 2.651 N/A ALA 10.A N ARG 6.A O no hydrogen 3.107 N/A ALA 11.A N ILE 7.A O no hydrogen 3.001 N/A ILE 12.A N ARG 8.A O no hydrogen 3.197 N/A GLU 13.A N GLU 9.A O no hydrogen 3.182 N/A GLN 14.A N ALA 10.A O no hydrogen 3.013 N/A PHE 15.A N ALA 11.A O no hydrogen 2.653 N/A GLY 16.A N ILE 12.A O no hydrogen 2.849 N/A ARG 17.A N GLU 13.A O no hydrogen 2.912 N/A ARG 17.A NE HIS 18.A NE2 no hydrogen 3.601 N/A HIS 18.A N GLN 14.A O no hydrogen 2.829 N/A GLY 19.A N PHE 15.A O no hydrogen 3.183 N/A ILE 27.A N GLY 23.A O no hydrogen 2.739 N/A ALA 28.A N LEU 24.A O no hydrogen 2.806 N/A GLU 29.A N ARG 25.A O no hydrogen 2.972 N/A ALA 30.A N ALA 26.A O no hydrogen 2.712 N/A ALA 31.A N ILE 27.A O no hydrogen 2.900 N/A GLY 32.A N GLU 29.A O no hydrogen 2.738 N/A VAL 33.A N ALA 28.A O no hydrogen 2.905 N/A LEU 37.A N SER 34.A OG no hydrogen 2.934 N/A VAL 38.A N SER 34.A O no hydrogen 3.478 N/A ILE 39.A N ALA 35.A O no hydrogen 3.307 N/A HIS 40.A N ALA 36.A O no hydrogen 3.008 N/A HIS 40.A ND1 ALA 36.A O no hydrogen 3.338 N/A HIS 41.A N LEU 37.A O no hydrogen 3.170 N/A HIS 41.A ND1 HIS 4.A ND1 no hydrogen 3.148 N/A PHE 42.A N VAL 38.A O no hydrogen 2.991 N/A GLY 43.A N ILE 39.A O no hydrogen 2.760 N/A SER 44.A N PHE 42.A O no hydrogen 2.818 N/A LYS 45.A NZ PHE 20.A O no hydrogen 2.589 N/A GLY 47.A N SER 44.A OG no hydrogen 2.877 N/A LEU 48.A N SER 44.A O no hydrogen 3.207 N/A ARG 49.A N LYS 45.A O no hydrogen 2.981 N/A LYS 50.A N GLU 46.A O no hydrogen 2.997 N/A LYS 50.A NZ ASP 54.A OD1 no hydrogen 2.750 N/A LYS 50.A NZ ASP 54.A OD2 no hydrogen 3.022 N/A ALA 51.A N GLY 47.A O no hydrogen 3.207 N/A CYS 52.A N LEU 48.A O no hydrogen 3.067 N/A CYS 52.A N ARG 49.A O no hydrogen 2.977 N/A CYS 52.A SG LEU 48.A O no hydrogen 3.244 N/A ASP 53.A N ARG 49.A O no hydrogen 2.771 N/A ASP 54.A N LYS 50.A O no hydrogen 2.729 N/A VAL 56.A N CYS 52.A O no hydrogen 2.959 N/A ALA 57.A N ASP 53.A O no hydrogen 3.157 N/A GLU 58.A N ASP 54.A O no hydrogen 3.168 N/A GLU 59.A N PHE 55.A O no hydrogen 2.883 N/A GLU 59.A N VAL 56.A O no hydrogen 3.230 N/A ILE 60.A N VAL 56.A O no hydrogen 3.378 N/A ARG 61.A N ALA 57.A O no hydrogen 2.979 N/A ARG 61.A NE GLU 58.A OE1 no hydrogen 3.289 N/A ARG 61.A NH2 GLU 58.A OE2 no hydrogen 3.268 N/A SER 62.A N GLU 58.A O no hydrogen 2.872 N/A SER 62.A OG GLU 58.A O no hydrogen 3.378 N/A SER 62.A OG GLU 59.A O no hydrogen 3.382 N/A SER 63.A N ILE 60.A O no hydrogen 2.934 N/A SER 63.A OG TYR 86.A OH no hydrogen 2.939 N/A LYS 64.A N ILE 60.A O no hydrogen 2.691 N/A ALA 65.A N ARG 61.A O no hydrogen 2.951 N/A ALA 67.A N SER 63.A O no hydrogen 3.239 N/A LEU 68.A N LYS 64.A O no hydrogen 2.914 N/A LYS 69.A N ALA 65.A O no hydrogen 3.005 N/A SER 70.A OG ASP 72.A O no hydrogen 3.377 N/A SER 70.A OG THR 75.A OG1 no hydrogen 3.116 N/A THR 74.A N ASP 72.A OD1 no hydrogen 3.418 N/A THR 74.A OG1 ASP 72.A OD1 no hydrogen 2.640 N/A THR 75.A N ASP 72.A O no hydrogen 3.289 N/A THR 75.A OG1 SER 70.A OG no hydrogen 3.116 N/A THR 75.A OG1 ASP 72.A O no hydrogen 3.530 N/A TRP 76.A N PRO 73.A O no hydrogen 3.013 N/A TRP 76.A NE1 ALA 67.A O no hydrogen 2.550 N/A LEU 77.A N PRO 73.A O no hydrogen 3.046 N/A ALA 78.A N THR 74.A O no hydrogen 2.901 N/A GLN 79.A N THR 75.A O no hydrogen 3.132 N/A GLN 79.A NE2 SER 63.A O no hydrogen 2.713 N/A GLN 79.A NE2 SER 63.A OG no hydrogen 3.013 N/A MET 80.A N TRP 76.A O no hydrogen 2.831 N/A ALA 81.A N LEU 77.A O no hydrogen 3.063 N/A ALA 81.A N ALA 78.A O no hydrogen 2.990 N/A SER 85.A N GLU 82.A O no hydrogen 2.815 N/A SER 85.A OG GLU 82.A O no hydrogen 2.360 N/A TYR 86.A N ILE 83.A O no hydrogen 3.400 N/A TYR 86.A OH SER 63.A OG no hydrogen 2.939 N/A ALA 87.A N GLU 84.A O no hydrogen 3.284 N/A MET 90.A N TYR 86.A O no hydrogen 3.013 N/A ALA 91.A N ALA 87.A O no hydrogen 3.010 N/A TYR 92.A N PRO 88.A O no hydrogen 3.338 N/A TYR 92.A OH ASP 53.A OD2 no hydrogen 2.285 N/A LEU 93.A N LEU 89.A O no hydrogen 2.840 N/A VAL 94.A N MET 90.A O no hydrogen 2.805 N/A VAL 94.A N ALA 91.A O no hydrogen 3.185 N/A ARG 95.A N ALA 91.A O no hydrogen 3.253 N/A ARG 95.A NE GLY 16.A O no hydrogen 3.012 N/A ARG 95.A NH2 ARG 17.A O no hydrogen 2.932 N/A SER 96.A N TYR 92.A O no hydrogen 3.201 N/A GLN 98.A N VAL 94.A O no hydrogen 3.250 N/A SER 99.A N ARG 95.A O no hydrogen 2.757 N/A SER 99.A OG ARG 95.A O no hydrogen 3.444 N/A GLY 101.A N SER 99.A O no hydrogen 2.495 N/A ALA 104.A N GLY 101.A O no hydrogen 2.389 N/A LYS 105.A NZ GLU 102.A OE2 no hydrogen 3.217 N/A MET 106.A N GLU 102.A O no hydrogen 3.029 N/A LEU 107.A N ALA 104.A O no hydrogen 2.739 N/A TRP 108.A N ALA 104.A O no hydrogen 3.384 N/A GLN 109.A N LYS 105.A O no hydrogen 3.388 N/A LYS 110.A NZ ASP 54.A O no hydrogen 3.488 N/A MET 111.A N LEU 107.A O no hydrogen 2.717 N/A ILE 112.A N TRP 108.A O no hydrogen 2.792 N/A ASP 113.A N GLN 109.A O no hydrogen 3.086 N/A ASN 114.A N LYS 110.A O no hydrogen 2.836 N/A ALA 115.A N MET 111.A O no hydrogen 2.816 N/A GLU 116.A N ILE 112.A O no hydrogen 3.018 N/A GLU 117.A N ASP 113.A O no hydrogen 3.156 N/A TYR 118.A N ASN 114.A O no hydrogen 3.150 N/A LEU 119.A N ALA 115.A O no hydrogen 2.846 N/A ASP 120.A N GLU 116.A O no hydrogen 2.978 N/A GLU 121.A N GLU 117.A O no hydrogen 3.082 N/A GLY 122.A N TYR 118.A O no hydrogen 3.119 N/A GLY 122.A N LEU 119.A O no hydrogen 3.107 N/A VAL 123.A N LEU 119.A O no hydrogen 2.796 N/A ARG 124.A N ASP 120.A O no hydrogen 2.831 N/A ARG 124.A NH2 ASP 120.A OD2 no hydrogen 2.979 N/A ALA 125.A N GLU 121.A O no hydrogen 2.967 N/A GLY 126.A N GLY 122.A O no hydrogen 2.758 N/A GLY 126.A N VAL 123.A O no hydrogen 3.022 N/A THR 127.A N GLY 122.A O no hydrogen 2.966 N/A THR 127.A OG1 LEU 68.A O no hydrogen 2.686 N/A THR 127.A OG1 GLY 122.A O no hydrogen 3.075 N/A VAL 128.A N GLY 122.A O no hydrogen 3.358 N/A ARG 132.A NE TYR 192.A OH no hydrogen 3.451 N/A ASP 133.A N SER 131.A OG no hydrogen 3.074 N/A ARG 135.A NH1 ASP 113.A OD1 no hydrogen 2.919 N/A ARG 135.A NH1 GLU 116.A OE1 no hydrogen 2.420 N/A ARG 135.A NH2 ASP 113.A OD1 no hydrogen 3.049 N/A ALA 136.A N ASP 133.A OD1 no hydrogen 3.096 N/A ARG 137.A N ASP 133.A O no hydrogen 2.948 N/A ARG 137.A NH1 LYS 129.A O no hydrogen 2.657 N/A ARG 137.A NH2 LYS 129.A O no hydrogen 2.703 N/A ALA 138.A N PRO 134.A O no hydrogen 2.741 N/A ARG 139.A N ARG 135.A O no hydrogen 3.060 N/A PHE 140.A N ALA 136.A O no hydrogen 2.921 N/A LEU 141.A N ARG 137.A O no hydrogen 2.992 N/A ALA 142.A N ALA 138.A O no hydrogen 2.988 N/A ALA 142.A N ARG 139.A O no hydrogen 2.874 N/A ILE 143.A N ARG 139.A O no hydrogen 2.929 N/A THR 144.A N PHE 140.A O no hydrogen 3.069 N/A THR 144.A OG1 PHE 140.A O no hydrogen 2.661 N/A THR 144.A OG1 LEU 141.A O no hydrogen 3.458 N/A GLY 145.A N LEU 141.A O no hydrogen 2.886 N/A GLY 146.A N ALA 142.A O no hydrogen 2.890 N/A GLY 147.A N ILE 143.A O no hydrogen 2.751 N/A GLY 148.A N THR 144.A O no hydrogen 2.686 N/A PHE 149.A N GLY 145.A O no hydrogen 3.318 N/A LEU 150.A N GLY 146.A O no hydrogen 2.976 N/A LEU 151.A N GLY 147.A O no hydrogen 3.137 N/A TYR 152.A N GLY 148.A O no hydrogen 2.929 N/A TYR 152.A OH ASP 172.A OD1 no hydrogen 2.991 N/A LEU 153.A N PHE 149.A O no hydrogen 3.189 N/A LEU 153.A N LEU 150.A O no hydrogen 3.216 N/A GLN 154.A N LEU 150.A O no hydrogen 3.411 N/A MET 155.A N LEU 151.A O no hydrogen 3.413 N/A HIS 156.A N LEU 153.A O no hydrogen 3.037 N/A HIS 156.A NE2 ASP 168.A OD2 no hydrogen 2.516 N/A ASN 158.A N HIS 156.A ND1 no hydrogen 2.943 N/A THR 160.A N ASN 158.A O no hydrogen 2.678 N/A THR 160.A N ASN 158.A OD1 no hydrogen 3.389 N/A THR 160.A OG1 ASN 158.A OD1 no hydrogen 2.747 N/A ASP 161.A N ASN 158.A O no hydrogen 3.173 N/A ALA 164.A N ASP 161.A O no hydrogen 2.489 N/A ALA 165.A N ASP 161.A O no hydrogen 2.933 N/A LEU 166.A N LEU 162.A O no hydrogen 2.855 N/A ARG 167.A N ARG 163.A O no hydrogen 3.251 N/A ARG 167.A NH1 GLU 84.A OE2 no hydrogen 3.456 N/A ARG 167.A NH2 MET 80.A O no hydrogen 3.512 N/A ASP 168.A N ALA 164.A O no hydrogen 2.859 N/A TYR 169.A N ALA 165.A O no hydrogen 2.830 N/A ALA 170.A N LEU 166.A O no hydrogen 2.990 N/A HIS 171.A N ARG 167.A O no hydrogen 3.028 N/A ASP 172.A N ASP 168.A O no hydrogen 2.822 N/A MET 173.A N TYR 169.A O no hydrogen 2.618 N/A SER 177.A N MET 173.A O no hydrogen 3.063 N/A SER 177.A OG MET 173.A O no hydrogen 3.348 N/A SER 177.A OG VAL 174.A O no hydrogen 2.342 N/A LEU 178.A N VAL 174.A O no hydrogen 3.051 N/A GLU 179.A N LEU 175.A O no hydrogen 3.008 N/A VAL 180.A N PRO 176.A O no hydrogen 3.116 N/A TYR 181.A N SER 177.A O no hydrogen 2.751 N/A THR 182.A N GLU 179.A O no hydrogen 3.253 N/A THR 182.A OG1 LEU 178.A O no hydrogen 2.841 N/A GLU 183.A N GLU 179.A O no hydrogen 2.718 N/A GLY 184.A N VAL 180.A O no hydrogen 2.753 N/A ARG 189.A NH1 GLU 193.A OE2 no hydrogen 3.535 N/A GLU 193.A N ARG 189.A O no hydrogen 2.715 N/A ALA 194.A N ALA 190.A O no hydrogen 3.201 N/A PHE 195.A N MET 191.A O no hydrogen 3.139 N/A LEU 196.A N TYR 192.A O no hydrogen 3.010 N/A ALA 197.A N GLU 193.A O no hydrogen 2.935 N/A GLU 198.A N ALA 194.A O no hydrogen 3.063 N/A ALA 199.A N LEU 196.A O no hydrogen 2.880 N/A GLN 200.A N LEU 196.A O no hydrogen 2.824 N/A GLN 201.A N ALA 197.A O no hydrogen 3.206 N/A GLU 203.A N ALA 199.A O no hydrogen 2.910 N/A ALA 204.A N GLN 200.A O no hydrogen 3.128 N/A HIS 205.A N GLN 201.A O no hydrogen 3.337 N/A