Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4um3_P.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 5.A OD2 no hydrogen 3.493 N/A ASP 5.A N ASP 2.A OD1 no hydrogen 3.062 N/A ILE 6.A N ASP 2.A O no hydrogen 3.102 N/A LEU 7.A N ARG 3.A O no hydrogen 2.840 N/A TYR 8.A N ALA 4.A O no hydrogen 2.915 N/A ASN 9.A N ASP 5.A O no hydrogen 2.803 N/A ILE 10.A N ILE 6.A O no hydrogen 2.991 N/A ARG 11.A N LEU 7.A O no hydrogen 2.950 N/A GLN 12.A N TYR 8.A O no hydrogen 3.012 N/A THR 13.A N ASN 9.A O no hydrogen 2.873 N/A THR 13.A OG1 ASN 9.A O no hydrogen 2.583 N/A SER 14.A N ILE 10.A O no hydrogen 2.868 N/A SER 14.A OG ILE 10.A O no hydrogen 3.245 N/A SER 14.A OG SER 79.A O no hydrogen 2.420 N/A ASP 17.A N ASP 17.A OD1 no hydrogen 2.548 N/A VAL 18.A N ARG 15.A O no hydrogen 2.819 N/A THR 21.A N ILE 19.A O no hydrogen 2.662 N/A THR 21.A OG1 ARG 24.A O no hydrogen 3.162 N/A ARG 23.A NH1 GLN 22.A OE1 no hydrogen 3.117 N/A ARG 24.A NE GLN 22.A O no hydrogen 2.789 N/A VAL 26.A N GLU 148.A O no hydrogen 2.815 N/A VAL 28.A N SER 150.A O no hydrogen 2.769 N/A SER 29.A N THR 56.A O no hydrogen 2.816 N/A VAL 30.A N ASP 152.A O no hydrogen 2.974 N/A SER 31.A N GLN 54.A O no hydrogen 3.050 N/A LYS 33.A N TRP 52.A O no hydrogen 2.893 N/A ILE 35.A N VAL 50.A O no hydrogen 2.763 N/A ASN 36.A N VAL 50.A O no hydrogen 3.068 N/A LEU 38.A N ASP 48.A O no hydrogen 2.835 N/A ASN 41.A N GLU 46.A O no hydrogen 2.979 N/A THR 44.A N ASN 41.A OD1 no hydrogen 2.927 N/A GLU 46.A N ASN 41.A O no hydrogen 3.332 N/A VAL 47.A N PHE 120.A O no hydrogen 2.949 N/A VAL 49.A N GLN 118.A O no hydrogen 2.921 N/A VAL 50.A N ASN 36.A O no hydrogen 2.821 N/A PHE 51.A N ILE 116.A O no hydrogen 2.892 N/A TRP 52.A N LYS 33.A O no hydrogen 2.782 N/A GLN 53.A N PRO 114.A O no hydrogen 2.964 N/A GLN 54.A N SER 31.A O no hydrogen 3.098 N/A THR 55.A N TYR 112.A O no hydrogen 2.790 N/A THR 55.A OG1 GLN 53.A O no hydrogen 2.994 N/A THR 56.A N SER 29.A O no hydrogen 2.997 N/A TRP 57.A N VAL 110.A O no hydrogen 2.912 N/A ASP 59.A N GLY 108.A O no hydrogen 2.694 N/A ARG 60.A NE SER 58.A OG no hydrogen 3.345 N/A THR 61.A N ASP 59.A OD1 no hydrogen 3.197 N/A THR 61.A OG1 ASP 59.A OD1 no hydrogen 2.793 N/A LEU 62.A N ASP 59.A O no hydrogen 3.128 N/A ALA 63.A N ARG 60.A O no hydrogen 2.852 N/A TRP 64.A N SER 106.A O no hydrogen 2.878 N/A TRP 64.A NE1 PRO 70.A O no hydrogen 3.003 N/A SER 67.A N ASN 65.A OD1 no hydrogen 3.239 N/A SER 67.A OG ASN 65.A OD1 no hydrogen 3.147 N/A SER 69.A N SER 66.A O no hydrogen 3.512 N/A SER 69.A OG LEU 1.A O no hydrogen 3.361 N/A SER 69.A OG ASN 65.A O no hydrogen 3.159 N/A VAL 73.A N VAL 104.A O no hydrogen 2.928 N/A VAL 75.A N ALA 102.A O no hydrogen 2.828 N/A ILE 77.A N GLN 100.A O no hydrogen 3.180 N/A SER 79.A N PRO 76.A O no hydrogen 2.866 N/A LEU 80.A N ILE 77.A O no hydrogen 3.047 N/A ALA 86.A N GLY 140.A O no hydrogen 2.845 N/A TYR 88.A N LYS 138.A O no hydrogen 2.719 N/A TYR 88.A OH SER 141.A O no hydrogen 3.388 N/A ASN 89.A ND2 SER 121.A O no hydrogen 3.125 N/A ASN 89.A ND2 ARG 136.A O no hydrogen 2.906 N/A ALA 90.A N ALA 87.A O no hydrogen 3.184 N/A ILE 91.A N ARG 119.A O no hydrogen 2.833 N/A GLU 95.A N ARG 117.A O no hydrogen 3.048 N/A LEU 97.A N SER 115.A O no hydrogen 2.746 N/A LEU 101.A N PRO 99.A O no hydrogen 2.898 N/A ALA 102.A N VAL 75.A O no hydrogen 2.770 N/A HIS 103.A N GLN 111.A O no hydrogen 2.753 N/A VAL 104.A N VAL 73.A O no hydrogen 2.921 N/A VAL 105.A N GLU 109.A O no hydrogen 2.842 N/A SER 106.A N ASP 71.A O no hydrogen 2.784 N/A GLY 108.A N VAL 105.A O no hydrogen 2.731 N/A GLU 109.A N ASP 107.A OD1 no hydrogen 3.203 N/A VAL 110.A N TRP 57.A O no hydrogen 2.738 N/A GLN 111.A N HIS 103.A O no hydrogen 2.945 N/A GLN 111.A NE2 THR 56.A OG1 no hydrogen 2.999 N/A TYR 112.A N THR 55.A O no hydrogen 2.833 N/A SER 115.A N THR 98.A OG1 no hydrogen 2.902 N/A ILE 116.A N PHE 51.A O no hydrogen 2.759 N/A ARG 117.A N GLU 95.A O no hydrogen 2.947 N/A ARG 117.A NE ASP 48.A OD1 no hydrogen 2.702 N/A ARG 117.A NH2 ASP 48.A OD2 no hydrogen 3.399 N/A GLN 118.A N VAL 49.A O no hydrogen 2.949 N/A GLN 118.A NE2 SER 92.A O no hydrogen 3.021 N/A ARG 119.A N SER 92.A OG no hydrogen 2.984 N/A ARG 119.A NE GLU 46.A OE1 no hydrogen 3.289 N/A ARG 119.A NH1 GLU 39.A O no hydrogen 3.257 N/A ARG 119.A NH1 ASP 48.A OD2 no hydrogen 3.492 N/A PHE 120.A N VAL 47.A O no hydrogen 2.776 N/A SER 121.A N ASN 89.A O no hydrogen 2.844 N/A CYS 122.A N ASN 45.A O no hydrogen 3.065 N/A VAL 124.A N ASN 45.A OD1 no hydrogen 2.826 N/A SER 125.A N ASP 123.A OD1 no hydrogen 3.354 N/A SER 125.A OG ASP 123.A OD1 no hydrogen 2.923 N/A SER 125.A OG ASP 123.A OD2 no hydrogen 3.449 N/A GLY 126.A N GLU 42.A OE2 no hydrogen 3.065 N/A VAL 127.A N VAL 124.A O no hydrogen 3.204 N/A THR 129.A N GLY 126.A O no hydrogen 2.975 N/A THR 129.A OG1 GLY 126.A O no hydrogen 2.873 N/A THR 129.A OG1 SER 131.A OG no hydrogen 3.176 N/A SER 131.A OG THR 129.A OG1 no hydrogen 3.176 N/A GLY 132.A N THR 129.A OG1 no hydrogen 3.213 N/A ALA 133.A N PHE 196.A O no hydrogen 2.734 N/A CYS 135.A N LEU 194.A O no hydrogen 2.758 N/A ILE 137.A N VAL 192.A O no hydrogen 2.763 N/A LYS 138.A N ASN 89.A OD1 no hydrogen 3.098 N/A LYS 138.A NZ TYR 180.A OH no hydrogen 2.950 N/A ILE 139.A N VAL 190.A O no hydrogen 2.813 N/A GLY 140.A N ALA 86.A O no hydrogen 3.174 N/A SER 141.A OG ASP 84.A OD1 no hydrogen 2.687 N/A SER 141.A OG HIS 144.A O no hydrogen 3.108 N/A TRP 142.A N ASP 84.A O no hydrogen 2.984 N/A THR 143.A N ASP 84.A OD2 no hydrogen 2.800 N/A THR 143.A OG1 ASP 84.A OD2 no hydrogen 2.718 N/A HIS 144.A N SER 141.A OG no hydrogen 2.721 N/A HIS 144.A ND1 GLU 148.A OE1 no hydrogen 3.024 N/A SER 146.A N ALA 186.A O no hydrogen 2.642 N/A SER 146.A OG ALA 186.A O no hydrogen 3.335 N/A ARG 147.A N HIS 145.A ND1 no hydrogen 3.222 N/A GLU 148.A N HIS 145.A O no hydrogen 2.876 N/A ILE 149.A N HIS 145.A O no hydrogen 2.802 N/A SER 150.A N VAL 26.A O no hydrogen 3.011 N/A VAL 151.A N GLU 188.A OE1 no hydrogen 3.010 N/A ASP 152.A N VAL 28.A O no hydrogen 2.922 N/A PHE 160.A N SER 157.A O no hydrogen 3.284 N/A SER 161.A N ILE 35.A O no hydrogen 2.707 N/A TYR 163.A N SER 161.A OG no hydrogen 3.226 N/A SER 164.A N SER 161.A O no hydrogen 3.358 N/A SER 164.A OG ASN 36.A OD1 no hydrogen 3.245 N/A SER 164.A OG ILE 37.A O no hydrogen 3.072 N/A SER 164.A OG PHE 166.A O no hydrogen 3.463 N/A PHE 166.A N SER 164.A OG no hydrogen 2.889 N/A GLU 167.A N ARG 197.A O no hydrogen 3.044 N/A LEU 169.A N ASN 195.A O no hydrogen 2.739 N/A ASP 170.A N ASN 195.A O no hydrogen 3.204 N/A THR 172.A N SER 193.A O no hydrogen 3.079 N/A LYS 174.A N GLU 191.A O no hydrogen 2.894 N/A LYS 175.A NZ VAL 151.A O no hydrogen 3.552 N/A LYS 175.A NZ ASP 152.A OD1 no hydrogen 3.108 N/A LYS 175.A NZ GLU 188.A OE1 no hydrogen 2.994 N/A LYS 175.A NZ GLU 188.A OE2 no hydrogen 3.535 N/A ASN 176.A N ASP 189.A O no hydrogen 2.950 N/A ASN 176.A ND2 ASP 189.A OD1 no hydrogen 3.163 N/A VAL 178.A N TYR 187.A O no hydrogen 2.823 N/A CYS 183.A N TYR 180.A O no hydrogen 3.338 N/A TYR 187.A N VAL 178.A O no hydrogen 2.736 N/A ASP 189.A N ASN 176.A O no hydrogen 3.031 N/A VAL 190.A N ILE 139.A O no hydrogen 2.647 N/A GLU 191.A N LYS 174.A O no hydrogen 2.639 N/A VAL 192.A N ILE 137.A O no hydrogen 2.814 N/A SER 193.A N THR 172.A O no hydrogen 2.662 N/A LEU 194.A N CYS 135.A O no hydrogen 2.700 N/A ASN 195.A N ASP 170.A O no hydrogen 2.791 N/A ASN 195.A ND2 SER 131.A O no hydrogen 3.145 N/A ASN 195.A ND2 ALA 133.A O no hydrogen 2.785 N/A PHE 196.A N ALA 133.A O no hydrogen 2.946 N/A ARG 197.A N GLU 167.A O no hydrogen 3.128 N/A ARG 197.A NE GLU 167.A OE2 no hydrogen 2.708 N/A ARG 197.A NH1 GLU 130.A O no hydrogen 2.556 N/A ARG 197.A NH2 GLU 167.A OE2 no hydrogen 3.294 N/A LYS 198.A N VAL 127.A O no hydrogen 2.700 N/A LYS 199.A N ARG 165.A O no hydrogen 3.146 N/A LYS 199.A NZ GLN 162.A O no hydrogen 3.057 N/A LYS 199.A NZ SER 164.A O no hydrogen 2.858 N/A