Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N ILE 52.A O no hydrogen 2.810 N/A LYS 5.A N ASP 76.A OD2 no hydrogen 2.804 N/A LYS 5.A NZ THR 74.A OG1.A no hydrogen 3.115 N/A LEU 6.A N ASP 54.A O no hydrogen 2.883 N/A VAL 7.A N GLY 77.A O no hydrogen 2.958 N/A VAL 8.A N LEU 56.A O no hydrogen 2.923 N/A VAL 9.A N LEU 79.A O no hydrogen 2.933 N/A LYS 16.A NZ GLY 10.A O no hydrogen 2.996 N/A LYS 16.A NZ ASP 11.A O no hydrogen 2.798 N/A SER 17.A OG THR 35.A OG1 no hydrogen 2.821 N/A SER 17.A OG ASP 57.A OD1 no hydrogen 3.412 N/A SER 17.A OG ASP 57.A OD2 no hydrogen 2.574 N/A LEU 19.A N GLY 15.A O no hydrogen 2.872 N/A THR 20.A N LYS 16.A O no hydrogen 3.061 N/A THR 20.A OG1 LYS 16.A O no hydrogen 2.900 N/A ILE 21.A N SER 17.A O no hydrogen 2.793 N/A GLN 22.A N ALA 18.A O no hydrogen 2.908 N/A GLN 22.A NE2 GLN 22.A O no hydrogen 3.263 N/A PHE 23.A N LEU 19.A O no hydrogen 2.948 N/A PHE 24.A N THR 20.A O no hydrogen 2.990 N/A GLN 25.A N ILE 21.A O no hydrogen 2.775 N/A LYS 26.A N GLN 22.A O no hydrogen 2.966 N/A THR 35.A OG1 SER 17.A OG no hydrogen 2.821 N/A ASP 38.A N ASP 57.A O no hydrogen 3.010 N/A TYR 40.A N VAL 55.A O no hydrogen 2.882 N/A LYS 42.A N LEU 53.A O no hydrogen 2.986 N/A THR 44.A N ALA 51.A O no hydrogen 2.931 N/A ILE 46.A N GLN 49.A O no hydrogen 3.053 N/A GLN 49.A N ILE 46.A O no hydrogen 2.994 N/A GLN 49.A NE2 ASP 47.A O no hydrogen 3.189 N/A ALA 51.A N THR 44.A O no hydrogen 2.809 N/A ILE 52.A N PRO 2.A O no hydrogen 2.879 N/A LEU 53.A N LYS 42.A O no hydrogen 2.796 N/A ASP 54.A N TYR 4.A O no hydrogen 2.860 N/A VAL 55.A N TYR 40.A O no hydrogen 2.756 N/A LEU 56.A N LEU 6.A O no hydrogen 2.890 N/A ASP 57.A N ASP 38.A O no hydrogen 2.788 N/A THR 58.A OG1 VAL 8.A O no hydrogen 2.612 N/A SER 65.A OG GLN 61.A OE1 no hydrogen 3.356 N/A ARG 68.A N SER 65.A OG no hydrogen 3.105 N/A ARG 68.A NE TYR 71.A OH no hydrogen 2.830 N/A ARG 68.A NH1 GLN 61.A O no hydrogen 2.955 N/A ARG 68.A NH2 GLN 61.A O no hydrogen 2.793 N/A ARG 68.A NH2 TYR 71.A OH no hydrogen 3.318 N/A GLU 69.A N SER 65.A O no hydrogen 2.928 N/A GLN 70.A N ALA 66.A O no hydrogen 2.912 N/A TYR 71.A N MET 67.A O.A no hydrogen 3.124 N/A TYR 71.A N MET 67.A O.B no hydrogen 3.066 N/A MET 72.A N ARG 68.A O no hydrogen 2.922 N/A ARG 73.A N GLU 69.A O no hydrogen 2.989 N/A ARG 73.A NE GLU 69.A OE2 no hydrogen 2.952 N/A ARG 73.A NH2 GLU 69.A OE2 no hydrogen 3.387 N/A THR 74.A N.A GLN 70.A O no hydrogen 3.115 N/A THR 74.A N.B GLN 70.A O no hydrogen 3.095 N/A THR 74.A OG1.A GLN 70.A O no hydrogen 3.150 N/A GLY 75.A N TYR 71.A O no hydrogen 2.986 N/A ASP 76.A N LYS 5.A O no hydrogen 2.718 N/A GLY 77.A N LYS 5.A O no hydrogen 3.347 N/A PHE 78.A N PRO 110.A O no hydrogen 3.042 N/A LEU 79.A N VAL 7.A O no hydrogen 2.921 N/A ILE 80.A N ILE 112.A O no hydrogen 2.913 N/A VAL 81.A N VAL 9.A O no hydrogen 2.807 N/A TYR 82.A N VAL 114.A O no hydrogen 2.949 N/A SER 83.A N SER 89.A OG no hydrogen 2.986 N/A SER 83.A OG THR 85.A OG1 no hydrogen 2.798 N/A VAL 84.A N ASN 116.A O no hydrogen 2.930 N/A THR 85.A N SER 83.A OG no hydrogen 3.044 N/A THR 85.A OG1 SER 83.A OG no hydrogen 2.798 N/A ASP 86.A N SER 83.A O no hydrogen 2.963 N/A LYS 87.A NZ GLU 91.A OE2 no hydrogen 3.492 N/A SER 89.A N ASP 86.A OD1 no hydrogen 3.018 N/A SER 89.A OG ASP 86.A O no hydrogen 2.711 N/A PHE 90.A N ASP 86.A O no hydrogen 3.385 N/A GLU 91.A N LYS 87.A O no hydrogen 2.983 N/A HIS 92.A N ALA 88.A O no hydrogen 2.960 N/A HIS 92.A ND1 ASP 11.A OD2 no hydrogen 2.622 N/A VAL 93.A N PHE 90.A O no hydrogen 3.087 N/A ARG 95.A NH1 GLU 63.A OE2 no hydrogen 3.123 N/A ARG 95.A NH2 GLU 63.A OE1 no hydrogen 2.781 N/A ARG 95.A NH2 GLU 63.A OE2 no hydrogen 3.484 N/A PHE 96.A N HIS 92.A O no hydrogen 3.304 N/A HIS 97.A N VAL 93.A O no hydrogen 2.904 N/A GLN 98.A N ASP 94.A O.A no hydrogen 2.820 N/A GLN 98.A N ASP 94.A O.B no hydrogen 2.889 N/A LEU 99.A N ARG 95.A O no hydrogen 2.980 N/A ILE 100.A N PHE 96.A O no hydrogen 3.013 N/A LEU 101.A N HIS 97.A O no hydrogen 3.235 N/A ARG 102.A N GLN 98.A O no hydrogen 2.955 N/A VAL 103.A N LEU 99.A O no hydrogen 2.885 N/A LYS 104.A N ILE 100.A O no hydrogen 2.948 N/A LYS 104.A NZ ARG 73.A O no hydrogen 2.654 N/A LYS 104.A NZ GLY 75.A O no hydrogen 2.764 N/A ASP 105.A N ARG 102.A O no hydrogen 3.314 N/A ARG 106.A N LEU 101.A O no hydrogen 3.141 N/A ARG 106.A NE SER 108.A O no hydrogen 3.058 N/A ARG 106.A NH2 SER 108.A O no hydrogen 3.250 N/A ILE 112.A N PHE 78.A O no hydrogen 2.961 N/A LEU 113.A N PRO 141.A O no hydrogen 2.921 N/A VAL 114.A N ILE 80.A O no hydrogen 2.900 N/A ALA 115.A N ILE 143.A O no hydrogen 2.881 N/A ASN 116.A N TYR 82.A O no hydrogen 2.845 N/A ASN 116.A ND2 VAL 14.A O no hydrogen 2.864 N/A LYS 117.A NZ GLY 13.A O no hydrogen 2.785 N/A VAL 118.A N THR 145.A O no hydrogen 3.301 N/A LEU 120.A N LYS 117.A O no hydrogen 2.953 N/A LEU 123.A N LEU 120.A O no hydrogen 3.121 N/A ARG 124.A N MET 121.A O.A no hydrogen 3.417 N/A ARG 124.A N MET 121.A O.B no hydrogen 3.469 N/A ARG 124.A NE VAL 126.A O no hydrogen 2.771 N/A ARG 124.A NH1 VAL 126.A O no hydrogen 3.460 N/A ARG 124.A NH1 GLU 144.A OE2 no hydrogen 2.834 N/A ARG 124.A NH2 GLU 144.A OE1 no hydrogen 3.510 N/A LYS 125.A N VAL 84.A O no hydrogen 2.725 N/A LYS 125.A NZ THR 85.A O no hydrogen 2.770 N/A LYS 125.A NZ LEU 123.A O no hydrogen 3.111 N/A VAL 126.A N VAL 84.A O no hydrogen 2.927 N/A THR 127.A N GLN 130.A OE1 no hydrogen 2.927 N/A THR 127.A OG1 GLN 130.A OE1 no hydrogen 3.489 N/A ARG 128.A NE.A GLU 144.A OE1 no hydrogen 3.499 N/A ARG 128.A NE.A GLU 144.A OE2 no hydrogen 3.224 N/A ARG 128.A NH2.A GLU 144.A OE1 no hydrogen 3.105 N/A GLN 130.A N THR 127.A OG1 no hydrogen 3.144 N/A GLY 131.A N THR 127.A O no hydrogen 3.004 N/A LYS 132.A N ARG 128.A O.A no hydrogen 2.881 N/A LYS 132.A N ARG 128.A O.B no hydrogen 2.914 N/A GLU 133.A N ASP 129.A O no hydrogen 2.968 N/A MET 134.A N.A GLN 130.A O no hydrogen 3.126 N/A MET 134.A N.B GLN 130.A O no hydrogen 3.146 N/A ALA 135.A N GLY 131.A O no hydrogen 2.984 N/A THR 136.A N LYS 132.A O no hydrogen 2.842 N/A THR 136.A OG1 LYS 132.A O no hydrogen 2.789 N/A LYS 137.A N GLU 133.A O no hydrogen 3.095 N/A LYS 137.A NZ ASP 94.A OD1.B no hydrogen 3.398 N/A TYR 138.A N MET 134.A O.A no hydrogen 3.285 N/A TYR 138.A N MET 134.A O.B no hydrogen 3.214 N/A TYR 138.A OH ASP 94.A OD1.A no hydrogen 2.653 N/A ASN 139.A N THR 136.A O no hydrogen 3.032 N/A ILE 140.A N ALA 135.A O no hydrogen 3.026 N/A TYR 142.A OH GLU 144.A OE2 no hydrogen 2.643 N/A ILE 143.A N LEU 113.A O no hydrogen 2.970 N/A THR 145.A N ALA 115.A O no hydrogen 2.885 N/A THR 145.A OG1 ASN 116.A OD1 no hydrogen 2.785 N/A SER 146.A N LEU 152.A O no hydrogen 3.153 N/A SER 146.A OG ASP 119.A OD1 no hydrogen 2.742 N/A LYS 148.A N SER 146.A OG no hydrogen 3.258 N/A LEU 152.A N SER 146.A O no hydrogen 2.925 N/A ASN 153.A ND2 GLU 144.A O no hydrogen 2.825 N/A LYS 156.A NZ ASP 160.A OD2 no hydrogen 2.748 N/A THR 157.A N ASN 153.A O no hydrogen 2.886 N/A THR 157.A OG1 ASN 153.A O no hydrogen 2.682 N/A PHE 158.A N VAL 154.A O no hydrogen 3.316 N/A HIS 159.A N ASP 155.A O no hydrogen 2.874 N/A ASP 160.A N LYS 156.A O no hydrogen 2.689 N/A LEU 161.A N THR 157.A O no hydrogen 3.157 N/A VAL 162.A N PHE 158.A O no hydrogen 3.205 N/A ARG 163.A N HIS 159.A O no hydrogen 2.860 N/A ARG 163.A NE ASP 47.A OD1 no hydrogen 3.402 N/A ARG 163.A NE ASP 47.A OD2 no hydrogen 2.742 N/A ARG 163.A NH1 ASP 160.A OD1 no hydrogen 2.889 N/A ARG 163.A NH2 ASP 47.A OD1 no hydrogen 2.934 N/A VAL 164.A N ASP 160.A O no hydrogen 2.897 N/A ILE 165.A N LEU 161.A O no hydrogen 3.018 N/A ARG 166.A N VAL 162.A O no hydrogen 2.926 N/A ARG 166.A NE TYR 4.A OH no hydrogen 2.911 N/A ARG 166.A NH1 ILE 46.A O no hydrogen 2.856 N/A ARG 166.A NH2 GLN 49.A O no hydrogen 3.025 N/A GLN 167.A N ARG 163.A O no hydrogen 2.860 N/A GLN 167.A N VAL 164.A O no hydrogen 3.332 N/A