Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3knw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A NZ SER 39.A OG no hydrogen 2.853 N/A ARG 5.A N SER 1.A O no hydrogen 2.830 N/A ARG 5.A NH1 GLU 53.A OE2 no hydrogen 3.404 N/A ARG 5.A NH2 GLU 2.A OE2 no hydrogen 3.570 N/A GLN 6.A N GLU 2.A O no hydrogen 2.926 N/A HIS 7.A N ALA 3.A O no hydrogen 2.818 N/A HIS 7.A NE2 SER 33.A O no hydrogen 3.063 N/A ILE 8.A N LYS 4.A O no hydrogen 2.898 N/A LEU 9.A N ARG 5.A O no hydrogen 3.095 N/A ASP 10.A N GLN 6.A O no hydrogen 2.869 N/A SER 11.A N HIS 7.A O no hydrogen 2.749 N/A SER 11.A OG HIS 7.A O no hydrogen 3.138 N/A GLY 12.A N ILE 8.A O no hydrogen 2.827 N/A PHE 13.A N LEU 9.A O no hydrogen 2.753 N/A HIS 14.A N ASP 10.A O no hydrogen 3.172 N/A LEU 15.A N SER 11.A O no hydrogen 3.130 N/A VAL 16.A N GLY 12.A O no hydrogen 2.879 N/A LEU 17.A N PHE 13.A O no hydrogen 3.092 N/A ARG 18.A N HIS 14.A O no hydrogen 3.372 N/A ARG 18.A N LEU 15.A O no hydrogen 3.149 N/A LYS 19.A N LEU 15.A O no hydrogen 2.944 N/A GLY 20.A N VAL 16.A O no hydrogen 2.952 N/A PHE 21.A N GLU 99.A OE2 no hydrogen 2.826 N/A VAL 22.A N GLU 99.A OE1 no hydrogen 2.990 N/A VAL 24.A N PHE 21.A O no hydrogen 3.130 N/A ILE 29.A N GLY 25.A O no hydrogen 3.384 N/A LEU 30.A N LEU 26.A O no hydrogen 2.468 N/A LYS 31.A N GLN 27.A O no hydrogen 2.764 N/A THR 32.A N GLU 28.A O no hydrogen 2.665 N/A THR 32.A OG1 GLU 28.A O no hydrogen 3.148 N/A SER 33.A N ILE 29.A O no hydrogen 3.129 N/A SER 33.A OG ILE 29.A O no hydrogen 3.409 N/A SER 33.A OG LEU 30.A O no hydrogen 3.242 N/A GLY 34.A N LEU 30.A O no hydrogen 2.943 N/A VAL 35.A N SER 33.A OG no hydrogen 3.051 N/A PHE 40.A N PRO 36.A O no hydrogen 3.317 N/A TYR 41.A N LYS 37.A O no hydrogen 2.986 N/A HIS 42.A N SER 39.A O no hydrogen 2.736 N/A TYR 43.A N PHE 40.A O no hydrogen 3.158 N/A TYR 43.A OH SER 1.A O no hydrogen 3.327 N/A PHE 44.A N PHE 40.A O no hydrogen 2.903 N/A LYS 47.A NZ PHE 21.A O no hydrogen 2.707 N/A LYS 47.A NZ VAL 24.A O no hydrogen 2.945 N/A ALA 49.A N SER 46.A OG no hydrogen 2.947 N/A PHE 50.A N SER 46.A O no hydrogen 3.134 N/A GLY 51.A N LYS 47.A O no hydrogen 2.977 N/A CYS 52.A N GLU 48.A O no hydrogen 2.949 N/A CYS 52.A SG GLU 48.A O no hydrogen 3.621 N/A GLU 53.A N ALA 49.A O no hydrogen 2.887 N/A LEU 54.A N PHE 50.A O no hydrogen 2.749 N/A LEU 55.A N GLY 51.A O no hydrogen 3.072 N/A LYS 56.A N CYS 52.A O no hydrogen 3.093 N/A HIS 57.A N GLU 53.A O no hydrogen 2.826 N/A TYR 58.A N LEU 54.A O no hydrogen 2.961 N/A ILE 59.A N LEU 55.A O no hydrogen 2.987 N/A SER 60.A N LYS 56.A O no hydrogen 2.838 N/A ASP 61.A N HIS 57.A O no hydrogen 3.142 N/A TYR 62.A N TYR 58.A O no hydrogen 2.960 N/A TYR 62.A OH TYR 82.A OH no hydrogen 2.621 N/A GLN 63.A N ILE 59.A O no hydrogen 3.017 N/A ILE 64.A N SER 60.A O no hydrogen 3.299 N/A ARG 65.A N ASP 61.A O no hydrogen 2.806 N/A LEU 66.A N TYR 62.A O no hydrogen 2.818 N/A ASN 67.A N GLN 63.A O no hydrogen 2.817 N/A GLN 68.A N ILE 64.A O no hydrogen 3.257 N/A LEU 69.A N ARG 65.A O no hydrogen 3.284 N/A TRP 70.A N LEU 66.A O no hydrogen 3.137 N/A TRP 70.A NE1 LYS 79.A O no hydrogen 2.802 N/A THR 71.A N GLN 68.A O no hydrogen 3.269 N/A THR 71.A OG1 ASN 67.A O no hydrogen 2.648 N/A THR 74.A OG1 SER 75.A O no hydrogen 3.549 N/A ARG 77.A NH1 SER 131.A O no hydrogen 3.568 N/A ARG 77.A NH1 ASP 174.A OD2 no hydrogen 2.330 N/A ARG 77.A NH2 ASP 174.A OD2 no hydrogen 2.868 N/A LYS 79.A N SER 75.A O no hydrogen 3.047 N/A LEU 80.A N ALA 76.A O no hydrogen 2.998 N/A TYR 82.A N LYS 79.A O no hydrogen 3.189 N/A TYR 82.A OH TYR 62.A OH no hydrogen 2.621 N/A LEU 83.A N LEU 80.A O no hydrogen 3.205 N/A CYS 85.A N ASN 81.A O no hydrogen 2.935 N/A TRP 86.A N TYR 82.A O no hydrogen 2.954 N/A TRP 86.A NE1 TYR 82.A OH no hydrogen 2.930 N/A VAL 87.A N LEU 83.A O no hydrogen 3.082 N/A LYS 88.A N GLN 84.A O no hydrogen 3.216 N/A LYS 88.A N CYS 85.A O no hydrogen 3.112 N/A CYS 92.A SG LEU 17.A O no hydrogen 3.636 N/A VAL 95.A N SER 91.A O no hydrogen 3.100 N/A LYS 96.A N CYS 92.A O no hydrogen 2.629 N/A LYS 96.A NZ ARG 18.A O no hydrogen 2.932 N/A ALA 98.A N VAL 95.A O no hydrogen 2.945 N/A GLU 99.A N LYS 96.A O no hydrogen 3.174 N/A VAL 100.A N ALA 97.A O no hydrogen 3.089 N/A ASP 102.A N GLU 99.A O no hydrogen 3.064 N/A LEU 103.A N VAL 100.A O no hydrogen 3.395 N/A SER 104.A OG GLU 48.A OE2 no hydrogen 2.483 N/A ARG 107.A NE GLU 105.A OE2 no hydrogen 3.089 N/A ARG 107.A NH1 GLU 105.A OE1 no hydrogen 3.387 N/A ARG 107.A NH1 GLU 105.A OE2 no hydrogen 3.532 N/A LEU 108.A N GLU 105.A O no hydrogen 2.856 N/A ILE 109.A N ASP 106.A O no hydrogen 3.049 N/A ASP 111.A N LEU 108.A O no hydrogen 2.968 N/A GLY 112.A N ILE 109.A O no hydrogen 3.071 N/A LYS 114.A N ASN 110.A O no hydrogen 3.009 N/A ARG 115.A N ASP 111.A O no hydrogen 2.885 N/A LEU 116.A N GLY 112.A O no hydrogen 3.027 N/A ILE 117.A N VAL 113.A O no hydrogen 3.075 N/A ALA 118.A N LYS 114.A O no hydrogen 3.261 N/A ARG 119.A N ARG 115.A O no hydrogen 2.847 N/A ARG 119.A NH1 ASN 67.A OD1 no hydrogen 2.977 N/A ASP 121.A N ALA 118.A O no hydrogen 2.825 N/A LEU 122.A N ARG 119.A O no hydrogen 3.012 N/A ARG 124.A N ALA 120.A O no hydrogen 3.045 N/A ARG 124.A N ASP 121.A O no hydrogen 3.152 N/A ILE 125.A N ASP 121.A O no hydrogen 2.962 N/A GLY 126.A N LEU 122.A O no hydrogen 2.989 N/A GLN 127.A N ILE 123.A O no hydrogen 3.021 N/A GLN 127.A N ARG 124.A O no hydrogen 2.912 N/A GLN 127.A NE2 ILE 123.A O no hydrogen 3.340 N/A GLN 128.A N ARG 124.A O no hydrogen 2.903 N/A GLU 129.A N ILE 125.A O no hydrogen 3.250 N/A GLY 130.A N GLN 127.A O no hydrogen 3.357 N/A SER 131.A OG GLY 126.A O no hydrogen 3.482 N/A SER 131.A OG GLU 129.A OE1 no hydrogen 2.923 N/A ILE 132.A N GLY 126.A O no hydrogen 3.039 N/A THR 134.A N LEU 173.A O no hydrogen 2.924 N/A VAL 140.A N VAL 137.A O no hydrogen 3.045 N/A LEU 141.A N VAL 137.A O no hydrogen 3.055 N/A ALA 142.A N PRO 138.A O no hydrogen 3.094 N/A GLN 143.A N VAL 140.A O no hydrogen 3.087 N/A GLN 143.A NE2 ASP 139.A O no hydrogen 2.938 N/A VAL 144.A N VAL 140.A O no hydrogen 3.011 N/A ILE 145.A N LEU 141.A O no hydrogen 2.837 N/A TYR 146.A N ALA 142.A O no hydrogen 2.924 N/A GLN 147.A N GLN 143.A O no hydrogen 2.687 N/A TYR 148.A OH THR 171.A OG1 no hydrogen 2.624 N/A LEU 149.A N TYR 146.A O no hydrogen 3.124 N/A GLY 150.A N GLN 147.A O no hydrogen 3.109 N/A ALA 152.A N TYR 148.A O no hydrogen 2.747 N/A LEU 153.A N LEU 149.A O no hydrogen 2.951 N/A LEU 154.A N GLY 150.A O no hydrogen 3.035 N/A SER 155.A N ALA 151.A O no hydrogen 2.954 N/A SER 155.A OG ALA 151.A O no hydrogen 2.852 N/A LYS 156.A N ALA 152.A O no hydrogen 3.170 N/A LEU 157.A N LEU 153.A O no hydrogen 3.167 N/A TYR 158.A N LEU 154.A O no hydrogen 2.729 N/A LYS 161.A NZ VAL 87.A O no hydrogen 3.144 N/A ALA 162.A N HIS 160.A ND1 no hydrogen 3.460 N/A PHE 165.A N LYS 161.A O no hydrogen 2.888 N/A GLN 166.A N ALA 162.A O no hydrogen 2.976 N/A GLN 166.A NE2 SER 170.A OG no hydrogen 2.999 N/A ALA 167.A N PRO 163.A O no hydrogen 3.085 N/A LEU 168.A N LEU 164.A O no hydrogen 3.058 N/A GLU 169.A N PHE 165.A O no hydrogen 3.270 N/A SER 170.A N GLN 166.A O no hydrogen 2.785 N/A THR 171.A N ALA 167.A O no hydrogen 2.770 N/A THR 171.A OG1 TYR 148.A OH no hydrogen 2.624 N/A THR 171.A OG1 ALA 167.A O no hydrogen 2.693 N/A LYS 172.A N GLU 169.A O no hydrogen 3.321 N/A ASP 174.A N LYS 172.A O no hydrogen 3.231 N/A