| 1 | M | 40.6 | Very low | 40.9 | Very low | 238 Ų | 238 | 139.2 Ų | 139.2 | 100% | 1.172 | 75% | 0.75 | S | S | * | * | | | | 0 | 118.9 | 0 | -154.5 | 171.8 | 65.2 | 0 | 0 | 106.5 | | |
| 2 | L | 33.4 | Very low | 41.5 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -72.4 | 131.5 | -176.7 | -79.1 | 116.1 | 0 | 0 | 0 | 110.7 | T4 | L2-T4 HydrophobicContact CD2-CG2 4.42Š|
| 3 | E | 40.4 | Very low | 41.7 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -141.9 | 84.5 | 145.2 | -77.2 | -161.5 | 163.4 | 0 | 0 | 108.8 | N5 | E3-N5 PolarHBondContact O-N 3.34Š|
| 4 | T | 45.2 | Very low | 41.8 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | trans | -80.9 | 86.6 | 170.3 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | L2 S6 | L2-T4 HydrophobicContact CD2-CG2 4.42Å; T4-S6 PolarHBondContact O-N 3.11Å |
| 5 | N | 42.4 | Very low | 41.9 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | | | trans | -83.8 | 65.2 | 162.1 | -71.5 | -49.4 | 0 | 0 | 0 | 109.1 | E3 K7 | E3-N5 PolarHBondContact O-N 3.34Å; N5-K7 VanDerWaalsContact C-N 3.3Å; N5-K7 PolarHBondContact O-N 3.42Å |
| 6 | S | 44.6 | Very low | 42 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | | | trans | -75.5 | 88.8 | 174.2 | 50.3 | 0 | 0 | 0 | 0 | 108.8 | T4 T8 | T4-S6 PolarHBondContact O-N 3.11Å; S6-T8 VanDerWaalsContact C-N 3.32Å; S6-T8 PolarHBondContact O-N 3.39Å |
| 7 | K | 40.7 | Very low | 42.3 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 83% | 0.826 | 73% | 0.734 | S | S | * | * | | | trans | -66.2 | 93.6 | 168.4 | -169.8 | 167.2 | -177.1 | 173.3 | 0 | 108 | N5 T9 | N5-K7 VanDerWaalsContact C-N 3.3Å; N5-K7 PolarHBondContact O-N 3.42Å; K7-T9 PolarHBondContact O-N 3.04Å; K7-T9 PolarHBondContact O-OG1 2.84Å |
| 8 | T | 40.7 | Very low | 42.2 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | | | trans | -59 | 101 | 177.6 | -42.9 | 0 | 0 | 0 | 0 | 108.5 | S6 I10 | S6-T8 VanDerWaalsContact C-N 3.32Å; S6-T8 PolarHBondContact O-N 3.39Å; T8-I10 PolarHBondContact O-N 3.11Å |
| 9 | T | 37.5 | Very low | 42.6 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | | | trans | -82.4 | 95.9 | 176.8 | -52.8 | 0 | 0 | 0 | 0 | 105.8 | K7 S11 | K7-T9 PolarHBondContact O-N 3.04Å; K7-T9 PolarHBondContact O-OG1 2.84Å; T9-S11 PolarHBondContact O-N 2.95Å |
| 10 | I | 42.2 | Very low | 42.5 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | | | trans | -64.6 | 109.5 | 173.5 | -60.4 | 168.3 | 0 | 0 | 0 | 106.1 | T8 | T8-I10 PolarHBondContact O-N 3.11Š|
| 11 | S | 42 | Very low | 42.5 | Very low | 48 Ų | 48 | 140.3 Ų | 140.3 | 34% | 0.336 | 73% | 0.734 | S | S | . | * | | | trans | -62.2 | 127.4 | 175 | 174.1 | 0 | 0 | 0 | 0 | 108.4 | T9 R13 D14 | T9-S11 PolarHBondContact O-N 2.95Å; S11-R13 PolarHBondContact O-N 3.04Å; S11-R13 PolarHBondContact OG-N 2.76Å; S11-D14 PolarHBondContact O-N 3.26Å; S11-D14 VanDerWaalsContact O-N 3.11Å |
| 12 | P | 48.6 | Very low | 42.4 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -4.8 | 177.7 | 23.9 | -31.5 | 0 | 0 | 0 | 113.5 | | |
| 13 | R | 44.6 | Very low | 42.6 | Very low | 227 Ų | 227 | 134.9 Ų | 134.9 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -12.7 | 173.7 | -74.2 | -169.4 | 176.3 | 171 | -0.1 | 114.7 | S11 | S11-R13 PolarHBondContact O-N 3.04Å; S11-R13 PolarHBondContact OG-N 2.76Å |
| 14 | D | 42.8 | Very low | 42.7 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | | | trans | -100 | 4.3 | -173.3 | -63.2 | -32 | 0 | 0 | 0 | 114.3 | S11 D16 | S11-D14 PolarHBondContact O-N 3.26Å; S11-D14 VanDerWaalsContact O-N 3.11Å; D14-D16 VanDerWaalsContact C-N 3.3Å; D14-D16 PolarHBondContact O-N 2.97Å |
| 15 | V | 43.2 | Very low | 42.7 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 55% | 0.552 | 70% | 0.704 | S | S | * | * | | | trans | -83.1 | 86.5 | 173.6 | -164.8 | 0 | 0 | 0 | 0 | 108.6 | L17 | V15-L17 HydrophobicContact CG1-CD1 4.45Å; V15-L17 HydrophobicContact CG1-CG 3.93Å; V15-L17 PolarHBondContact O-N 3.24Å |
| 16 | D | 43.5 | Very low | 42.8 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | | | trans | -63.1 | 78.1 | 169.1 | -157.5 | 33.5 | 0 | 0 | 0 | 108.6 | D14 R18 | D14-D16 VanDerWaalsContact C-N 3.3Å; D14-D16 PolarHBondContact O-N 2.97Å; D16-R18 PolarHBondContact O-N 2.95Å; D16-R18 IonicContact OD2-CZ 3.56Å; D16-R18 IonicContact OD2-NE 2.93Å; D16-R18 PolarHBondContact OD2-NE 3.18Å; D16-R18 IonicContact OD2-NH2 3.37Å; D16-R18 PolarHBondContact OD2-NH2 3.41Å |
| 17 | L | 47.2 | Very low | 42.4 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 72% | 0.717 | 70% | 0.699 | S | S | * | * | | | trans | -70.5 | 71.6 | 177.6 | -84.6 | 155.7 | 0 | 0 | 0 | 108.9 | V15 I19 | V15-L17 HydrophobicContact CG1-CD1 4.45Å; V15-L17 HydrophobicContact CG1-CG 3.93Å; V15-L17 PolarHBondContact O-N 3.24Å; L17-I19 HydrophobicContact CB-CG1 4.49Å; L17-I19 PolarHBondContact O-N 2.96Å |
| 18 | R | 41.2 | Very low | 42.4 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | | | trans | -68.3 | 85 | 161.8 | -60.6 | -173 | -121.2 | 164.5 | 2.9 | 106.7 | D16 N20 | D16-R18 PolarHBondContact O-N 2.95Å; D16-R18 IonicContact OD2-CZ 3.56Å; D16-R18 IonicContact OD2-NE 2.93Å; D16-R18 PolarHBondContact OD2-NE 3.18Å; D16-R18 IonicContact OD2-NH2 3.37Å; D16-R18 PolarHBondContact OD2-NH2 3.41Å; R18-N20 VanDerWaalsContact C-N 3.32Å; R18-N20 PolarHBondContact O-N 3.13Å |
| 19 | I | 48.7 | Very low | 42.5 | Very low | 134 Ų | 134 | 135.4 Ų | 135.4 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | | | trans | -66 | 99.5 | 171.3 | -60.4 | 171.7 | 0 | 0 | 0 | 105.2 | L17 V21 | L17-I19 HydrophobicContact CB-CG1 4.49Å; L17-I19 PolarHBondContact O-N 2.96Å; I19-V21 PolarHBondContact O-N 2.82Å |
| 20 | N | 41.6 | Very low | 42.6 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | | | trans | -57.8 | 106.7 | 166.3 | -78.5 | -6.9 | 0 | 0 | 0 | 106.6 | R18 I22 | R18-N20 VanDerWaalsContact C-N 3.32Å; R18-N20 PolarHBondContact O-N 3.13Å; N20-I22 HydrophobicContact CB-CG1 4.32Å; N20-I22 PolarHBondContact O-N 3.05Å |
| 21 | V | 41.3 | Very low | 42.7 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 79% | 0.788 | 69% | 0.691 | S | S | * | * | | | trans | -69.5 | 86.5 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | I19 N23 | I19-V21 PolarHBondContact O-N 2.82Å; V21-N23 PolarHBondContact O-N 2.99Å |
| 22 | I | 39.4 | Very low | 42.6 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 74% | 0.744 | 70% | 0.701 | S | S | * | * | | | trans | -73.1 | 121.6 | 172 | -61.4 | 168.9 | 0 | 0 | 0 | 106 | N20 | N20-I22 HydrophobicContact CB-CG1 4.32Å; N20-I22 PolarHBondContact O-N 3.05Å |
| 23 | N | 36.5 | Very low | 42.1 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | | | trans | -53.2 | 126.7 | 179.6 | -96.1 | -26 | 0 | 0 | 0 | 110.3 | V21 V25 | V21-N23 PolarHBondContact O-N 2.99Å; N23-V25 PolarHBondContact O-N 3.08Å; N23-V25 VanDerWaalsContact O-N 3.1Å |
| 24 | P | 42.5 | Very low | 41.8 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -77.2 | 8.5 | -171.4 | 29 | -34.6 | 0 | 0 | 0 | 115.1 | D26 | P24-D26 PolarHBondContact O-N 2.77Š|
| 25 | V | 45.7 | Very low | 41.4 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.685 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -75.3 | -25.4 | -168.8 | 178 | 0 | 0 | 0 | 0 | 113.3 | N23 | N23-V25 PolarHBondContact O-N 3.08Å; N23-V25 VanDerWaalsContact O-N 3.1Å |
| 26 | D | 43.4 | Very low | 41.1 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -104.4 | 6 | -164.6 | -64.7 | -33.3 | 0 | 0 | 0 | 116.1 | P24 | P24-D26 PolarHBondContact O-N 2.77Š|
| 27 | N | 37.3 | Very low | 40.9 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 58% | 0.578 | 68% | 0.682 | S | S | * | * | | | trans | -131.7 | 30.4 | -170.8 | -102.3 | -9 | 0 | 0 | 0 | 116.4 | K29 E30 | N27-K29 PolarHBondContact O-N 3.45Å; N27-K29 VanDerWaalsContact O-N 3.08Å; N27-E30 PolarHBondContact O-N 3.18Å |
| 28 | E | 41.3 | Very low | 40.3 | Very low | 170 Ų | 170 | 137.5 Ų | 137.5 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -20.3 | -177.2 | -66.2 | -148.7 | 153.2 | 0 | 0 | 115.1 | | |
| 29 | K | 41.6 | Very low | 40.2 | Very low | 205 Ų | 205 | 136.7 Ų | 136.7 | 89% | 0.891 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -22.7 | -177 | -67.3 | -168 | 178.4 | -179.4 | 0 | 115.5 | N27 | N27-K29 PolarHBondContact O-N 3.45Å; N27-K29 VanDerWaalsContact O-N 3.08Å |
| 30 | E | 40.9 | Very low | 40 | Very low | 155 Ų | 155 | 138.2 Ų | 138.2 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -17.6 | -173 | -126.5 | 176.5 | -172.1 | 0 | 0 | 114.3 | N27 | N27-E30 PolarHBondContact O-N 3.18Š|
| 31 | S | 44.2 | Very low | 39.9 | Very low | 65 Ų | 65 | 135.6 Ų | 135.6 | 46% | 0.455 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -88.1 | -27.6 | -172.9 | -177.9 | 0 | 0 | 0 | 0 | 114.8 | H33 T34 Y35 | S31-H33 PolarHBondContact O-N 3.3Å; S31-T34 PolarHBondContact O-N 3.49Å; S31-Y35 PolarHBondContact O-N 3.47Å; S31-Y35 VanDerWaalsContact O-N 3.1Å |
| 32 | L | 38.2 | Very low | 39.9 | Very low | 103 Ų | 103 | 134 Ų | 134 | 54% | 0.539 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -67.4 | -35.3 | -166.1 | -132.5 | 161.7 | 0 | 0 | 0 | 112.8 | Q36 | L32-Q36 HydrophobicContact CD2-CG 4.39Å; L32-Q36 PolarHBondContact O-N 3.47Å |
| 33 | H | 39.7 | Very low | 40.1 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.7 | -30.4 | 179 | -84.9 | 41.6 | 0 | 0 | 0 | 113.4 | S31 | S31-H33 PolarHBondContact O-N 3.3Å |
| 34 | T | 38 | Very low | 40.5 | Very low | 80 Ų | 80 | 136 Ų | 136 | 49% | 0.491 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -82.9 | -28.4 | 179.8 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | S31 | S31-T34 PolarHBondContact O-N 3.49Å |
| 35 | Y | 34.5 | Very low | 40.9 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -71.6 | -40.6 | 176.2 | -134.1 | -97.4 | 0 | 0 | 0 | 111.9 | S31 K37 R38 Y39 | S31-Y35 PolarHBondContact O-N 3.47Å; S31-Y35 VanDerWaalsContact O-N 3.1Å; Y35-K37 PolarHBondContact O-N 3.13Å; Y35-R38 PolarHBondContact O-N 2.97Å; Y35-Y39 HydrophobicContact CD1-CD2 4.23Å; Y35-Y39 AromaticContact CD1-CE2 3.85Å; Y35-Y39 HydrophobicContact CD1-CE2 3.85Å; Y35-Y39 HydrophobicContact CE1-CD2 4.45Å; Y35-Y39 AromaticContact CE1-CE2 3.63Å; Y35-Y39 HydrophobicContact CE1-CE2 3.63Å |
| 36 | Q | 37 | Very low | 40.9 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 60% | 0.598 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.9 | -38 | -179.4 | -83.5 | -176 | -20.7 | 0 | 0 | 113.6 | L32 R38 Y39 | L32-Q36 HydrophobicContact CD2-CG 4.39Å; L32-Q36 PolarHBondContact O-N 3.47Å; Q36-R38 VanDerWaalsContact C-N 3.27Å; Q36-R38 PolarHBondContact O-N 3.23Å; Q36-Y39 PolarHBondContact O-N 3.49Å |
| 37 | K | 38.4 | Very low | 41 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 77% | 0.765 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.1 | -22.9 | 179.9 | -84.6 | -173.6 | 177.2 | 178.4 | 0 | 114 | Y35 | Y35-K37 PolarHBondContact O-N 3.13Å |
| 38 | R | 35.6 | Very low | 41.4 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 65% | 0.653 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -80.3 | -24.9 | 178 | -78.2 | -167.2 | -91.8 | 179.1 | -7.6 | 113.7 | Y35 Q36 L40 S41 | Y35-R38 PolarHBondContact O-N 2.97Å; Q36-R38 VanDerWaalsContact C-N 3.27Å; Q36-R38 PolarHBondContact O-N 3.23Å; R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 PolarHBondContact O-N 3.36Å; R38-S41 PolarHBondContact O-N 3.21Å; R38-S41 VanDerWaalsContact O-N 3.12Å |
| 39 | Y | 39.2 | Very low | 41.9 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 71% | 0.71 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.6 | -19.7 | 177.4 | -93.1 | -86.3 | 0 | 0 | 0 | 114.4 | Y35 Q36 S41 | Y35-Y39 HydrophobicContact CD1-CD2 4.23Å; Y35-Y39 AromaticContact CD1-CE2 3.85Å; Y35-Y39 HydrophobicContact CD1-CE2 3.85Å; Y35-Y39 HydrophobicContact CE1-CD2 4.45Å; Y35-Y39 AromaticContact CE1-CE2 3.63Å; Y35-Y39 HydrophobicContact CE1-CE2 3.63Å; Q36-Y39 PolarHBondContact O-N 3.49Å; Y39-S41 VanDerWaalsContact C-N 3.25Å |
| 40 | L | 43.2 | Very low | 42.3 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 1.3 | 172.4 | -62.8 | 176.4 | 0 | 0 | 0 | 112.7 | R38 | R38-L40 VanDerWaalsContact C-N 3.28Å; R38-L40 PolarHBondContact O-N 3.36Å |
| 41 | S | 40.5 | Very low | 42.8 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 54% | 0.538 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -109.5 | 111.9 | -178.7 | -177 | 0 | 0 | 0 | 0 | 110.8 | R38 Y39 | R38-S41 PolarHBondContact O-N 3.21Å; R38-S41 VanDerWaalsContact O-N 3.12Å; Y39-S41 VanDerWaalsContact C-N 3.25Å |
| 42 | S | 41.2 | Very low | 43.1 | Very low | 97 Ų | 97 | 136.3 Ų | 136.3 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 99.6 | -10.2 | 153.4 | 85.2 | 0 | 0 | 0 | 0 | 121.6 | K44 | S42-K44 PolarHBondContact O-N 3.46Š|
| 43 | N | 43.3 | Very low | 43.7 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 72% | 0.722 | 65% | 0.647 | S | S | * | * | | | trans | -83.1 | 77.8 | 168.3 | -82.6 | -9.4 | 0 | 0 | 0 | 110.8 | D45 V46 | N43-D45 PolarHBondContact O-N 3.07Å; N43-V46 HydrophobicContact CB-CG2 3.62Å |
| 44 | K | 45.4 | Very low | 44.2 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 80% | 0.796 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.2 | 128.3 | 148 | -62.3 | 179.7 | 178.6 | -176.1 | 0 | 107.6 | S42 V46 | S42-K44 PolarHBondContact O-N 3.46Å; K44-V46 PolarHBondContact O-N 3.32Å |
| 45 | D | 49.7 | Very low | 44.6 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.9 | 46.8 | 167.4 | -45.5 | -37.7 | 0 | 0 | 0 | 115.6 | N43 D47 | N43-D45 PolarHBondContact O-N 3.07Å; D45-D47 PolarHBondContact O-N 3.38Å |
| 46 | V | 45.5 | Very low | 45.4 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | | | trans | -61.2 | 97.3 | 157.7 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | N43 K44 Y48 | N43-V46 HydrophobicContact CB-CG2 3.62Å; K44-V46 PolarHBondContact O-N 3.32Å; V46-Y48 VanDerWaalsContact C-N 3.34Å; V46-Y48 WeakPolarHBondContact O-CD1 3.17Å; V46-Y48 PolarHBondContact O-N 2.92Å |
| 47 | D | 47.1 | Very low | 45.6 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 42% | 0.422 | 65% | 0.652 | S | S | . | * | | | trans | -64.1 | 97.5 | 176.4 | -165.3 | 1.5 | 0 | 0 | 0 | 108.1 | D45 R49 T50 | D45-D47 PolarHBondContact O-N 3.38Å; D47-R49 PolarHBondContact O-N 3.35Å; D47-R49 WeakPolarHBondContact OD1-CB 3.5Å; D47-R49 VanDerWaalsContact OD1-CD 3.23Å; D47-R49 WeakPolarHBondContact OD1-CD 3.43Å; D47-R49 WeakPolarHBondContact OD1-CG 3.29Å; D47-R49 PolarHBondContact OD1-N 3.18Å; D47-R49 IonicContact OD1-NE 3.29Å; D47-R49 PolarHBondContact OD1-NE 3.36Å; D47-R49 IonicContact OD2-NE 3.89Å; D47-T50 PolarHBondContact O-N 2.79Å; D47-T50 VanDerWaalsContact O-N 3.1Å; D47-T50 PolarHBondContact O-OG1 3.05Å; D47-T50 VanDerWaalsContact O-OG1 3.07Å |
| 48 | Y | 45.5 | Very low | 45.9 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -60.1 | -6 | 179 | 37 | -92.8 | 0 | 0 | 0 | 112.5 | V46 T50 | V46-Y48 VanDerWaalsContact C-N 3.34Å; V46-Y48 WeakPolarHBondContact O-CD1 3.17Å; V46-Y48 PolarHBondContact O-N 2.92Å; Y48-T50 PolarHBondContact O-N 2.94Å |
| 49 | R | 50.5 | Low | 46.3 | Very low | 180 Ų | 180 | 127.6 Ų | 127.6 | 68% | 0.679 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -61.3 | -20 | 168.5 | -65.9 | 175 | -153.6 | -126.4 | 1 | 113.6 | D47 Y51 | D47-R49 PolarHBondContact O-N 3.35Å; D47-R49 WeakPolarHBondContact OD1-CB 3.5Å; D47-R49 VanDerWaalsContact OD1-CD 3.23Å; D47-R49 WeakPolarHBondContact OD1-CD 3.43Å; D47-R49 WeakPolarHBondContact OD1-CG 3.29Å; D47-R49 PolarHBondContact OD1-N 3.18Å; D47-R49 IonicContact OD1-NE 3.29Å; D47-R49 PolarHBondContact OD1-NE 3.36Å; D47-R49 IonicContact OD2-NE 3.89Å; R49-Y51 VanDerWaalsContact C-N 3.26Å; R49-Y51 PolarHBondContact O-N 3.42Å |
| 50 | T | 50.6 | Low | 46.7 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -71.8 | -17.5 | -175 | -44.8 | 0 | 0 | 0 | 0 | 113.6 | D47 Y48 | D47-T50 PolarHBondContact O-N 2.79Å; D47-T50 VanDerWaalsContact O-N 3.1Å; D47-T50 PolarHBondContact O-OG1 3.05Å; D47-T50 VanDerWaalsContact O-OG1 3.07Å; Y48-T50 PolarHBondContact O-N 2.94Å |
| 51 | Y | 51 | Low | 46.8 | Very low | 192 Ų | 192 | 121.1 Ų | 121.1 | 75% | 0.753 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -115.8 | 32.9 | -174.3 | -63.6 | -77.7 | 0 | 0 | 0 | 114.7 | R49 P53 | R49-Y51 VanDerWaalsContact C-N 3.26Å; R49-Y51 PolarHBondContact O-N 3.42Å; Y51-P53 VanDerWaalsContact O-CD 3.23Å; Y51-P53 WeakPolarHBondContact O-CD 3.46Å |
| 52 | L | 51 | Low | 47 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 41% | 0.414 | 61% | 0.609 | S | S | . | * | | | trans | -76.1 | 116.1 | 162 | -77.6 | 168.1 | 0 | 0 | 0 | 108.4 | R54 Q56 M57 I60 | L52-R54 PolarHBondContact O-N 3.45Å; L52-Q56 HydrophobicContact CD2-CB 4.27Å; L52-Q56 VanDerWaalsContact CD2-OE1 3.23Å; L52-M57 HydrophobicContact CB-CG 4.36Å; L52-I60 HydrophobicContact CD1-CD1 3.9Å |
| 53 | P | 50 | Low | 47 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 48% | 0.481 | 61% | 0.608 | S | S | . | * | | | trans | -52.5 | 139.3 | 172.1 | -21.8 | 33.5 | 0 | 0 | 0 | 109.2 | Y51 V55 Q56 M57 | Y51-P53 VanDerWaalsContact O-CD 3.23Å; Y51-P53 WeakPolarHBondContact O-CD 3.46Å; P53-V55 PolarHBondContact O-N 2.74Å; P53-Q56 PolarHBondContact O-N 3.41Å; P53-M57 PolarHBondContact O-N 3.11Å |
| 54 | R | 50.2 | Low | 46.8 | Very low | 223 Ų | 223 | 128.7 Ų | 128.7 | 84% | 0.842 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -46.4 | -36.1 | -179.5 | -85.5 | -178.1 | 175.5 | 170.7 | -1.4 | 113.2 | L52 Q56 M57 D58 | L52-R54 PolarHBondContact O-N 3.45Å; R54-Q56 VanDerWaalsContact C-N 3.28Å; R54-Q56 PolarHBondContact O-N 2.92Å; R54-M57 WeakPolarHBondContact O-CB 3.39Å; R54-M57 PolarHBondContact O-N 2.67Å; R54-M57 VanDerWaalsContact O-N 3.07Å; R54-D58 PolarHBondContact O-N 3.13Å |
| 55 | V | 48.2 | Very low | 46.5 | Very low | 116 Ų | 116 | 125 Ų | 125 | 70% | 0.703 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.3 | -36.7 | 177.6 | -171.1 | 0 | 0 | 0 | 0 | 112.5 | P53 | P53-V55 PolarHBondContact O-N 2.74Å |
| 56 | Q | 49.8 | Very low | 45.9 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -78.6 | -29.4 | 175.7 | -72.4 | -175.7 | -29.7 | 0 | 0 | 112.6 | L52 P53 R54 D58 S59 I60 | L52-Q56 HydrophobicContact CD2-CB 4.27Å; L52-Q56 VanDerWaalsContact CD2-OE1 3.23Å; P53-Q56 PolarHBondContact O-N 3.41Å; R54-Q56 VanDerWaalsContact C-N 3.28Å; R54-Q56 PolarHBondContact O-N 2.92Å; Q56-D58 VanDerWaalsContact C-N 3.31Å; Q56-D58 PolarHBondContact O-N 2.92Å; Q56-S59 PolarHBondContact O-N 2.94Å; Q56-I60 WeakPolarHBondContact O-CD1 2.92Å; Q56-I60 VanDerWaalsContact O-CG1 3.29Å; Q56-I60 WeakPolarHBondContact O-CG1 3.23Å; Q56-I60 PolarHBondContact O-N 3.25Å |
| 57 | M | 41.5 | Very low | 45.5 | Very low | 84 Ų | 84 | 124 Ų | 124 | 41% | 0.414 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.4 | -35.6 | 174.4 | -80.7 | -134.1 | 91 | 0 | 0 | 112.5 | L52 P53 R54 I60 R61 | L52-M57 HydrophobicContact CB-CG 4.36Å; P53-M57 PolarHBondContact O-N 3.11Å; R54-M57 WeakPolarHBondContact O-CB 3.39Å; R54-M57 PolarHBondContact O-N 2.67Å; R54-M57 VanDerWaalsContact O-N 3.07Å; M57-I60 PolarHBondContact O-N 3.1Å; M57-R61 PolarHBondContact O-N 3.3Å |
| 58 | D | 45.4 | Very low | 45 | Very low | 96 Ų | 96 | 124 Ų | 124 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.8 | -37.5 | 179.2 | -72.2 | -20.7 | 0 | 0 | 0 | 112 | R54 Q56 R61 K62 | R54-D58 PolarHBondContact O-N 3.13Å; Q56-D58 VanDerWaalsContact C-N 3.31Å; Q56-D58 PolarHBondContact O-N 2.92Å; D58-R61 PolarHBondContact O-N 2.71Å; D58-K62 PolarHBondContact O-N 3.29Å |
| 59 | S | 43.9 | Very low | 44.6 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 51% | 0.51 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.1 | -46.1 | 172.6 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | Q56 R61 K62 D63 | Q56-S59 PolarHBondContact O-N 2.94Å; S59-R61 VanDerWaalsContact C-N 3.31Å; S59-R61 PolarHBondContact O-N 3.07Å; S59-K62 PolarHBondContact O-N 3.44Å; S59-D63 PolarHBondContact O-N 2.87Å; S59-D63 VanDerWaalsContact O-N 3.13Å |
| 60 | I | 46.8 | Very low | 44.1 | Very low | 58 Ų | 58 | 118 Ų | 118 | 30% | 0.297 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.2 | -42.4 | 178.4 | -66.2 | 164.9 | 0 | 0 | 0 | 110.3 | L52 Q56 M57 K62 D63 Y64 | L52-I60 HydrophobicContact CD1-CD1 3.9Å; Q56-I60 WeakPolarHBondContact O-CD1 2.92Å; Q56-I60 VanDerWaalsContact O-CG1 3.29Å; Q56-I60 WeakPolarHBondContact O-CG1 3.23Å; Q56-I60 PolarHBondContact O-N 3.25Å; M57-I60 PolarHBondContact O-N 3.1Å; I60-K62 PolarHBondContact O-N 2.94Å; I60-D63 PolarHBondContact O-N 3.32Å; I60-Y64 HydrophobicContact CG2-CD2 4.01Å; I60-Y64 HydrophobicContact CG2-CE2 3.27Å; I60-Y64 WeakPolarHBondContact O-CD2 3.29Å; I60-Y64 WeakPolarHBondContact O-CE2 3.46Å; I60-Y64 PolarHBondContact O-N 3.08Å |
| 61 | R | 46.7 | Very low | 43.5 | Very low | 154 Ų | 154 | 116.6 Ų | 116.6 | 58% | 0.581 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.7 | -33.5 | 179.4 | -126.9 | -177.9 | -70.4 | 163.3 | 0.1 | 113 | M57 D58 S59 Y64 | M57-R61 PolarHBondContact O-N 3.3Å; D58-R61 PolarHBondContact O-N 2.71Å; S59-R61 VanDerWaalsContact C-N 3.31Å; S59-R61 PolarHBondContact O-N 3.07Å; R61-Y64 PolarHBondContact O-N 3.02Å |
| 62 | K | 43.5 | Very low | 42.9 | Very low | 168 Ų | 168 | 112.5 Ų | 112.5 | 73% | 0.73 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.8 | -39.8 | 176.5 | -104 | -176.3 | 175.5 | 179.9 | 0 | 112.4 | D58 S59 I60 Y64 S65 | D58-K62 PolarHBondContact O-N 3.29Å; S59-K62 PolarHBondContact O-N 3.44Å; I60-K62 PolarHBondContact O-N 2.94Å; K62-Y64 PolarHBondContact O-N 2.92Å; K62-S65 PolarHBondContact O-N 2.89Å |
| 63 | D | 40.8 | Very low | 42.2 | Very low | 122 Ų | 122 | 114.8 Ų | 114.8 | 65% | 0.652 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67 | -26.9 | 179.8 | -70.1 | -17.1 | 0 | 0 | 0 | 112.3 | S59 I60 S65 | S59-D63 PolarHBondContact O-N 2.87Å; S59-D63 VanDerWaalsContact O-N 3.13Å; I60-D63 PolarHBondContact O-N 3.32Å; D63-S65 VanDerWaalsContact C-N 3.33Å; D63-S65 PolarHBondContact O-N 2.8Å |
| 64 | Y | 39.9 | Very low | 41.4 | Very low | 178 Ų | 178 | 120.5 Ų | 120.5 | 70% | 0.698 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76 | -15 | 176.4 | -66.9 | -54.7 | 0 | 0 | 0 | 115 | I60 R61 K62 | I60-Y64 HydrophobicContact CG2-CD2 4.01Å; I60-Y64 HydrophobicContact CG2-CE2 3.27Å; I60-Y64 WeakPolarHBondContact O-CD2 3.29Å; I60-Y64 WeakPolarHBondContact O-CE2 3.46Å; I60-Y64 PolarHBondContact O-N 3.08Å; R61-Y64 PolarHBondContact O-N 3.02Å; K62-Y64 PolarHBondContact O-N 2.92Å |
| 65 | S | 38.5 | Very low | 40.7 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -88.6 | -19.5 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 113.1 | K62 D63 | K62-S65 PolarHBondContact O-N 2.89Å; D63-S65 VanDerWaalsContact C-N 3.33Å; D63-S65 PolarHBondContact O-N 2.8Å |
| 66 | L | 37.1 | Very low | 40.1 | Very low | 162 Ų | 162 | 115 Ų | 115 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -92.1 | -18.2 | -175.2 | -143 | 76.4 | 0 | 0 | 0 | 113.6 | G68 | L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 3.38Å |
| 67 | A | 37.3 | Very low | 39.6 | Very low | 61 Ų | 61 | 113.5 Ų | 113.5 | 50% | 0.504 | 64% | 0.643 | S | S | . | * | | | trans | -82.7 | 81.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N69 | A67-N69 PolarHBondContact O-N 3.48Š|
| 68 | G | 36.1 | Very low | 39.3 | Very low | 78 Ų | 78 | 115 Ų | 115 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | | | trans | -62.2 | 28.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 114 | L66 | L66-G68 VanDerWaalsContact C-N 3.32Å; L66-G68 PolarHBondContact O-N 3.38Å |
| 69 | N | 37.1 | Very low | 38.8 | Very low | 124 Ų | 124 | 114.9 Ų | 114.9 | 66% | 0.663 | 66% | 0.66 | S | S | * | * | | | trans | -91.7 | 118.3 | 175 | -71.3 | -17.1 | 0 | 0 | 0 | 107.6 | A67 S71 | A67-N69 PolarHBondContact O-N 3.48Å; N69-S71 PolarHBondContact O-N 3.1Å |
| 70 | S | 41.3 | Very low | 38.5 | Very low | 123 Ų | 123 | 115.8 Ų | 115.8 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | | | trans | -59.8 | 30.2 | 166.3 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | S72 | S70-S72 VanDerWaalsContact C-N 3.26Å; S70-S72 PolarHBondContact O-N 3.46Å |
| 71 | S | 38.3 | Very low | 37.9 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 53% | 0.531 | 69% | 0.688 | S | S | . | * | | | trans | -67.6 | 98.2 | 162.6 | 60.4 | 0 | 0 | 0 | 0 | 105.7 | N69 I73 | N69-S71 PolarHBondContact O-N 3.1Å; S71-I73 PolarHBondContact O-N 3.12Å |
| 72 | S | 36.5 | Very low | 37.4 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | | | trans | -58.9 | 67.3 | 162.4 | 59 | 0 | 0 | 0 | 0 | 108.6 | S70 K74 | S70-S72 VanDerWaalsContact C-N 3.26Å; S70-S72 PolarHBondContact O-N 3.46Å; S72-K74 PolarHBondContact O-N 3.39Å |
| 73 | I | 36.5 | Very low | 37.2 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | | | trans | -70.1 | 98.8 | 164.1 | -63.3 | 175.1 | 0 | 0 | 0 | 102.1 | S71 T75 | S71-I73 PolarHBondContact O-N 3.12Å; I73-T75 PolarHBondContact O-N 3.32Å |
| 74 | K | 34.6 | Very low | 36.9 | Very low | 194 Ų | 194 | 121.4 Ų | 121.4 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | | | trans | -54.9 | 87.6 | 169.1 | -66.8 | 176.6 | 179.1 | 178.4 | 0 | 106.4 | S72 S76 | S72-K74 PolarHBondContact O-N 3.39Å; K74-S76 VanDerWaalsContact C-N 3.29Å; K74-S76 PolarHBondContact O-N 3.39Å |
| 75 | T | 35.1 | Very low | 36.6 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | | | trans | -62.6 | 102.9 | 160.9 | 37.8 | 0 | 0 | 0 | 0 | 104.6 | I73 C77 | I73-T75 PolarHBondContact O-N 3.32Å; T75-C77 VanDerWaalsContact C-N 3.34Å; T75-C77 PolarHBondContact O-N 3.39Å |
| 76 | S | 35.6 | Very low | 36.6 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | | | trans | -55.1 | 108.9 | 163 | 62.7 | 0 | 0 | 0 | 0 | 105.4 | K74 V78 | K74-S76 VanDerWaalsContact C-N 3.29Å; K74-S76 PolarHBondContact O-N 3.39Å; S76-V78 PolarHBondContact O-N 3.1Å |
| 77 | C | 38.3 | Very low | 36.7 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 48% | 0.48 | 70% | 0.703 | S | S | . | * | | | trans | -57.7 | 108.5 | 168.7 | 49.6 | 0 | 0 | 0 | 0 | 105.7 | T75 T79 W92 | T75-C77 VanDerWaalsContact C-N 3.34Å; T75-C77 PolarHBondContact O-N 3.39Å; C77-T79 PolarHBondContact O-N 3.48Å; C77-W92 WeakPolarHBondContact SG-CH2 3.4Å; C77-W92 VanDerWaalsContact SG-CZ2 3.52Å |
| 78 | V | 35.7 | Very low | 36.6 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 71% | 0.709 | 72% | 0.715 | S | S | * | * | | | trans | -72.3 | 88.4 | 168.1 | 179.7 | 0 | 0 | 0 | 0 | 104.4 | S76 A80 | S76-V78 PolarHBondContact O-N 3.1Å; V78-A80 PolarHBondContact O-N 3.22Å |
| 79 | T | 34.6 | Very low | 36.6 | Very low | 92 Ų | 92 | 124.8 Ų | 124.8 | 56% | 0.564 | 71% | 0.708 | S | S | * | * | | | trans | -59.4 | 119.4 | 168.1 | 2.6 | 0 | 0 | 0 | 0 | 107 | C77 Y81 | C77-T79 PolarHBondContact O-N 3.48Å; T79-Y81 WeakPolarHBondContact O-CD2 3.23Å; T79-Y81 PolarHBondContact O-N 3.3Å; T79-Y81 VanDerWaalsContact O-N 3.15Å |
| 80 | A | 38.2 | Very low | 36.5 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | | | trans | -52.8 | 120 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | V78 D82 | V78-A80 PolarHBondContact O-N 3.22Å; A80-D82 PolarHBondContact O-N 3.46Å |
| 81 | Y | 33.4 | Very low | 36.5 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 62% | 0.624 | 71% | 0.71 | S | S | * | * | | | trans | -67.4 | 104.7 | -179.6 | -77 | -104.7 | 0 | 0 | 0 | 108.4 | T79 Y83 F87 | T79-Y81 WeakPolarHBondContact O-CD2 3.23Å; T79-Y81 PolarHBondContact O-N 3.3Å; T79-Y81 VanDerWaalsContact O-N 3.15Å; Y81-Y83 PolarHBondContact O-N 2.85Å; Y81-F87 HydrophobicContact CD1-CD2 4.03Å; Y81-F87 AromaticContact CD1-CE2 3.18Å; Y81-F87 HydrophobicContact CD1-CE2 3.18Å; Y81-F87 AromaticContact CD1-CZ 3.72Å; Y81-F87 HydrophobicContact CD1-CZ 3.72Å; Y81-F87 AromaticContact CE1-CD2 3.64Å; Y81-F87 HydrophobicContact CE1-CD2 3.64Å; Y81-F87 AromaticContact CE1-CE2 3.19Å; Y81-F87 HydrophobicContact CE1-CE2 3.19Å; Y81-F87 AromaticContact CE1-CZ 3.73Å; Y81-F87 HydrophobicContact CE1-CZ 3.73Å; Y81-F87 HydrophobicContact CG-CE2 4.14Å; Y81-F87 HydrophobicContact CG-CZ 4.29Å |
| 82 | D | 36.7 | Very low | 36.3 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | trans | -69.2 | 116.3 | 159.1 | -110.7 | -21.5 | 0 | 0 | 0 | 107.2 | A80 G84 | A80-D82 PolarHBondContact O-N 3.46Å; D82-G84 PolarHBondContact O-N 3.01Å |
| 83 | Y | 38.5 | Very low | 36.1 | Very low | 236 Ų | 236 | 138.8 Ų | 138.8 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 93.2 | -178.5 | -77.8 | -101.8 | 0 | 0 | 0 | 110.6 | Y81 | Y81-Y83 PolarHBondContact O-N 2.85Š|
| 84 | G | 35 | Very low | 35.9 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.6 | -16.4 | 170 | 0 | 0 | 0 | 0 | 0 | 119.1 | D82 | D82-G84 PolarHBondContact O-N 3.01Š|
| 85 | Q | 34.2 | Very low | 35.8 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | | | trans | -115.4 | 121.5 | 178.7 | -82.5 | -172.2 | -64.1 | 0 | 0 | 112.5 | F87 | Q85-F87 WeakPolarHBondContact O-CD2 3.12Å; Q85-F87 PolarHBondContact O-N 3.15Å; Q85-F87 VanDerWaalsContact O-N 3.11Å |
| 86 | P | 38.5 | Very low | 35.7 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | | | trans | -61.3 | 117.1 | 164.8 | 24.8 | -29.5 | 0 | 0 | 0 | 107.5 | V88 | P86-V88 PolarHBondContact O-N 2.76Š|
| 87 | F | 38.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 54% | 0.539 | 73% | 0.727 | S | S | . | * | | | trans | -59.6 | 102.6 | 179.9 | -76.1 | -104.4 | 0 | 0 | 0 | 109 | Y81 Q85 D89 | Y81-F87 HydrophobicContact CD1-CD2 4.03Å; Y81-F87 AromaticContact CD1-CE2 3.18Å; Y81-F87 HydrophobicContact CD1-CE2 3.18Å; Y81-F87 AromaticContact CD1-CZ 3.72Å; Y81-F87 HydrophobicContact CD1-CZ 3.72Å; Y81-F87 AromaticContact CE1-CD2 3.64Å; Y81-F87 HydrophobicContact CE1-CD2 3.64Å; Y81-F87 AromaticContact CE1-CE2 3.19Å; Y81-F87 HydrophobicContact CE1-CE2 3.19Å; Y81-F87 AromaticContact CE1-CZ 3.73Å; Y81-F87 HydrophobicContact CE1-CZ 3.73Å; Y81-F87 HydrophobicContact CG-CE2 4.14Å; Y81-F87 HydrophobicContact CG-CZ 4.29Å; Q85-F87 WeakPolarHBondContact O-CD2 3.12Å; Q85-F87 PolarHBondContact O-N 3.15Å; Q85-F87 VanDerWaalsContact O-N 3.11Å; F87-D89 PolarHBondContact O-N 2.79Å |
| 88 | V | 35.7 | Very low | 35 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | | | trans | -69 | 106.4 | 149.1 | -175.9 | 0 | 0 | 0 | 0 | 103.9 | P86 R90 | P86-V88 PolarHBondContact O-N 2.76Å; V88-R90 PolarHBondContact O-N 2.78Å |
| 89 | D | 36.5 | Very low | 34.7 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | | | trans | -57.1 | 86.7 | 172.2 | -171.9 | 10.8 | 0 | 0 | 0 | 108.2 | F87 K91 | F87-D89 PolarHBondContact O-N 2.79Å; D89-K91 PolarHBondContact O-N 2.91Å |
| 90 | R | 35.4 | Very low | 34.5 | Very low | 218 Ų | 218 | 146.5 Ų | 146.5 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | | | trans | -66.6 | 89.8 | 165 | -76.4 | -172.1 | -164.5 | -164.9 | 4.9 | 104.2 | V88 W92 | V88-R90 PolarHBondContact O-N 2.78Å; R90-W92 PolarHBondContact O-N 3.21Å |
| 91 | K | 40.1 | Very low | 33.9 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | | | trans | -40.9 | 118.2 | 159.5 | -76 | -170.4 | 177.6 | -176.5 | 0 | 106.6 | D89 C93 | D89-K91 PolarHBondContact O-N 2.91Å; K91-C93 PolarHBondContact O-N 3.15Å |
| 92 | W | 35.7 | Very low | 33.8 | Very low | 204 Ų | 204 | 146.8 Ų | 146.8 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | -56.1 | 105.2 | -171.1 | -70.4 | 44.3 | 0 | 0 | 0 | 108.2 | C77 R90 S94 | C77-W92 WeakPolarHBondContact SG-CH2 3.4Å; C77-W92 VanDerWaalsContact SG-CZ2 3.52Å; R90-W92 PolarHBondContact O-N 3.21Å; W92-S94 PolarHBondContact O-N 3.44Å |
| 93 | C | 31.4 | Very low | 33.4 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | trans | -69.8 | 77.6 | 159.1 | -70.1 | 0 | 0 | 0 | 0 | 106.3 | K91 L95 | K91-C93 PolarHBondContact O-N 3.15Å; C93-L95 PolarHBondContact O-N 2.88Å |
| 94 | S | 33.2 | Very low | 33.1 | Very low | 86 Ų | 86 | 143.1 Ų | 143.1 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | | | trans | -65.7 | 91 | 159.9 | -179.2 | 0 | 0 | 0 | 0 | 106 | W92 Q96 | W92-S94 PolarHBondContact O-N 3.44Å; S94-Q96 PolarHBondContact O-N 2.87Å; S94-Q96 VanDerWaalsContact OG-CG 3.3Å; S94-Q96 WeakPolarHBondContact OG-CG 3.48Å |
| 95 | L | 30.9 | Very low | 32.7 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | -67.4 | 72.1 | 161.8 | -160.1 | 82.1 | 0 | 0 | 0 | 106.5 | C93 | C93-L95 PolarHBondContact O-N 2.88Š|
| 96 | Q | 33.5 | Very low | 32.4 | Very low | 150 Ų | 150 | 149.6 Ų | 149.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -122 | 93.3 | 168.7 | -70.8 | -70.4 | -67.4 | 0 | 0 | 105.4 | S94 S98 | S94-Q96 PolarHBondContact O-N 2.87Å; S94-Q96 VanDerWaalsContact OG-CG 3.3Å; S94-Q96 WeakPolarHBondContact OG-CG 3.48Å; Q96-S98 PolarHBondContact O-N 3.28Å |
| 97 | N | 29.4 | Very low | 31.9 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -51.6 | 91.3 | 157.2 | -67.6 | -26.7 | 0 | 0 | 0 | 107.7 | | |
| 98 | S | 29.9 | Very low | 31.2 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | trans | -124.6 | 102.3 | 157.9 | 78.3 | 0 | 0 | 0 | 0 | 106.8 | Q96 Q100 | Q96-S98 PolarHBondContact O-N 3.28Å; S98-Q100 PolarHBondContact O-N 2.86Å |
| 99 | E | 30.2 | Very low | 30.9 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | -52.6 | 85.2 | 171 | -59.9 | 173.5 | 143.3 | 0 | 0 | 110 | | |
| 100 | Q | 30.3 | Very low | 30.4 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | | | trans | -130 | 64.7 | 162.9 | -71.6 | -168.3 | -0.3 | 0 | 0 | 108.1 | S98 L102 | S98-Q100 PolarHBondContact O-N 2.86Å; Q100-L102 PolarHBondContact O-N 2.87Å |
| 101 | S | 25 | Very low | 30 | Very low | 106 Ų | 106 | 148.6 Ų | 148.6 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | | 23.4 | 53.1 | 124.4 | -38.6 | 0 | 0 | 0 | 0 | 117.3 | N103 | S101-N103 PolarHBondContact O-N 2.83Å; S101-N103 VanDerWaalsContact O-N 3.15Å |
| 102 | L | 32.4 | Very low | 29.5 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | -81 | 94.7 | 161 | -79.5 | 167.6 | 0 | 0 | 0 | 106.9 | Q100 L104 | Q100-L102 PolarHBondContact O-N 2.87Å; L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 3.04Å |
| 103 | N | 26.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | -40.4 | 87.4 | 170.5 | -88.2 | -56 | 0 | 0 | 0 | 112.2 | S101 | S101-N103 PolarHBondContact O-N 2.83Å; S101-N103 VanDerWaalsContact O-N 3.15Å |
| 104 | L | 33.1 | Very low | 29.2 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -110.3 | 104.8 | 168.8 | -81.8 | 147.4 | 0 | 0 | 0 | 106.7 | L102 I106 | L102-L104 VanDerWaalsContact C-N 3.32Å; L102-L104 PolarHBondContact O-N 3.04Å; L104-I106 PolarHBondContact O-N 2.96Å |
| 105 | K | 26.1 | Very low | 29.1 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -39.6 | 108.4 | -179.8 | -74 | 174.7 | 174.8 | 179.1 | 0 | 111.3 | S107 | K105-S107 VanDerWaalsContact C-N 3.33Å; K105-S107 PolarHBondContact O-N 2.94Å; K105-S107 VanDerWaalsContact O-N 3.07Å |
| 106 | I | 28.1 | Very low | 29.1 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -78 | 86.5 | 169.7 | -57.9 | 169.8 | 0 | 0 | 0 | 107.1 | L104 | L104-I106 PolarHBondContact O-N 2.96Š|
| 107 | S | 27.4 | Very low | 28.9 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -85.4 | 107.2 | 154.6 | 52.5 | 0 | 0 | 0 | 0 | 106.6 | K105 | K105-S107 VanDerWaalsContact C-N 3.33Å; K105-S107 PolarHBondContact O-N 2.94Å; K105-S107 VanDerWaalsContact O-N 3.07Å |
| 108 | G | 24.3 | Very low | 29.2 | Very low | 50 Ų | 50 | 143.2 Ų | 143.2 | 52% | 0.515 | 79% | 0.79 | S | S | . | * | | | trans | -56.7 | 147.6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 109 | F | 29.1 | Very low | 29.6 | Very low | 198 Ų | 198 | 144 Ų | 144 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | | | trans | -159.7 | 108 | 145 | -88.2 | -66.3 | 0 | 0 | 0 | 108.7 | | |
| 110 | T | 27 | Very low | 29.6 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | 48.7 | 114.5 | 140.5 | 43.9 | 0 | 0 | 0 | 0 | 120.8 | S112 | T110-S112 PolarHBondContact O-N 3.06Š|
| 111 | Q | 26.7 | Very low | 30 | Very low | 203 Ų | 203 | 142 Ų | 142 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | | | trans | -42.2 | 118.7 | 153.1 | -82.5 | 166.4 | -21.2 | 0 | 0 | 111.7 | | |
| 112 | S | 28.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -123.3 | 125.3 | 157.4 | 62.8 | 0 | 0 | 0 | 0 | 109 | T110 | T110-S112 PolarHBondContact O-N 3.06Š|
| 113 | S | 30.2 | Very low | 30.7 | Very low | 99 Ų | 99 | 149.6 Ų | 149.6 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | | | trans | -53.4 | 146.5 | -176.4 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | N115 | S113-N115 PolarHBondContact O-N 3.29Š|
| 114 | L | 30.2 | Very low | 31.1 | Very low | 151 Ų | 151 | 152.4 Ų | 152.4 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | -41.6 | 110.7 | 164.8 | -85.6 | 82.6 | 0 | 0 | 0 | 111.3 | | |
| 115 | N | 31.5 | Very low | 31.5 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | trans | -132.4 | 93.6 | 154.7 | -93.5 | -26.5 | 0 | 0 | 0 | 106.9 | S113 S117 | S113-N115 PolarHBondContact O-N 3.29Å; N115-S117 PolarHBondContact O-N 3.07Å |
| 116 | N | 30.6 | Very low | 32.2 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -70.2 | 80.2 | 171.3 | -74.6 | -34.3 | 0 | 0 | 0 | 109.1 | | |
| 117 | S | 30.4 | Very low | 32.6 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | -104.2 | 93.4 | 160.1 | 67.8 | 0 | 0 | 0 | 0 | 108.4 | N115 S119 | N115-S117 PolarHBondContact O-N 3.07Å; S117-S119 PolarHBondContact O-N 2.84Å |
| 118 | L | 36.3 | Very low | 33.3 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -70.6 | 79.3 | 170.8 | -74.9 | 162.4 | 0 | 0 | 0 | 108.4 | G120 | L118-G120 PolarHBondContact O-N 3.08Š|
| 119 | S | 37 | Very low | 34.2 | Very low | 108 Ų | 108 | 156.7 Ų | 156.7 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | trans | -66.1 | 115.3 | 164.6 | -170.6 | 0 | 0 | 0 | 0 | 107.5 | S117 R121 | S117-S119 PolarHBondContact O-N 2.84Å; S119-R121 PolarHBondContact O-N 2.94Å |
| 120 | G | 29.8 | Very low | 34.8 | Very low | 71 Ų | 71 | 153.1 Ų | 153.1 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | | | trans | -54.2 | 100.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L118 M122 | L118-G120 PolarHBondContact O-N 3.08Å; G120-M122 PolarHBondContact O-N 3.2Å; G120-M122 VanDerWaalsContact O-N 3.14Å |
| 121 | R | 39.1 | Very low | 35.8 | Very low | 235 Ų | 235 | 156 Ų | 156 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | | | trans | -76.2 | 104.1 | -178.4 | -157.2 | 179.6 | -78.5 | -175.4 | -4.2 | 107.4 | S119 W123 | S119-R121 PolarHBondContact O-N 2.94Å; R121-W123 PolarHBondContact O-N 2.86Å |
| 122 | M | 31.4 | Very low | 36.8 | Very low | 170 Ų | 170 | 151.8 Ų | 151.8 | 84% | 0.837 | 81% | 0.811 | S | S | * | * | | | trans | -50.4 | 124.5 | 173.8 | -73.8 | 174.1 | 59.9 | 0 | 0 | 110 | G120 R124 | G120-M122 PolarHBondContact O-N 3.2Å; G120-M122 VanDerWaalsContact O-N 3.14Å; M122-R124 PolarHBondContact O-N 2.82Å |
| 123 | W | 40.3 | Very low | 37.7 | Very low | 249 Ų | 249 | 153.5 Ų | 153.5 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | | | trans | -59.1 | 102 | 173.7 | -63.4 | 84.1 | 0 | 0 | 0 | 108.5 | R121 N125 | R121-W123 PolarHBondContact O-N 2.86Å; W123-N125 PolarHBondContact O-N 3.21Å |
| 124 | R | 36 | Very low | 38.7 | Very low | 225 Ų | 225 | 153.8 Ų | 153.8 | 85% | 0.849 | 81% | 0.81 | S | S | * | * | | | trans | -75.1 | 125.4 | 166.4 | -69.8 | -151 | -173.5 | -160 | 5.9 | 107 | M122 E126 | M122-R124 PolarHBondContact O-N 2.82Å; R124-E126 VanDerWaalsContact C-N 3.28Å; R124-E126 PolarHBondContact O-N 2.7Å |
| 125 | N | 41.4 | Very low | 39.5 | Very low | 161 Ų | 161 | 152.7 Ų | 152.7 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -63.6 | 87 | 173.3 | -67.6 | -28.7 | 0 | 0 | 0 | 108.9 | W123 Q127 | W123-N125 PolarHBondContact O-N 3.21Å; N125-Q127 PolarHBondContact O-N 2.89Å |
| 126 | E | 41.1 | Very low | 40.7 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | | | trans | -72.1 | 116 | 168.7 | -75.4 | -179.3 | 172.4 | 0 | 0 | 108 | R124 S128 | R124-E126 VanDerWaalsContact C-N 3.28Å; R124-E126 PolarHBondContact O-N 2.7Å; E126-S128 PolarHBondContact O-N 3.11Å |
| 127 | Q | 37.1 | Very low | 42 | Very low | 174 Ų | 174 | 152.4 Ų | 152.4 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | -57.5 | 113.8 | 179.8 | -78.6 | 166.7 | -54.8 | 0 | 0 | 110.6 | N125 D129 | N125-Q127 PolarHBondContact O-N 2.89Å; Q127-D129 PolarHBondContact O-N 2.84Å; Q127-D129 VanDerWaalsContact O-N 3.08Å |
| 128 | S | 40.7 | Very low | 43 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | 26 | 73.7 | 138.5 | 53.3 | 0 | 0 | 0 | 0 | 116.6 | E126 S130 | E126-S128 PolarHBondContact O-N 3.11Å; S128-S130 PolarHBondContact O-N 2.8Å |
| 129 | D | 44 | Very low | 43.9 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 75% | 0.754 | 80% | 0.795 | S | S | * | * | | | trans | -65.4 | 119.8 | 158 | -82.8 | -33.6 | 0 | 0 | 0 | 108.3 | Q127 F131 | Q127-D129 PolarHBondContact O-N 2.84Å; Q127-D129 VanDerWaalsContact O-N 3.08Å; D129-F131 VanDerWaalsContact C-N 3.35Å; D129-F131 PolarHBondContact O-N 2.94Å |
| 130 | S | 41.5 | Very low | 44.6 | Very low | 122 Ų | 122 | 155.9 Ų | 155.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -64.9 | 92.1 | 178.2 | -152.1 | 0 | 0 | 0 | 0 | 108.8 | S128 S132 | S128-S130 PolarHBondContact O-N 2.8Å; S130-S132 PolarHBondContact O-N 3.31Å |
| 131 | F | 47.5 | Very low | 46.1 | Very low | 185 Ų | 185 | 160.2 Ų | 160.2 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -66.3 | 104.6 | 172.9 | -90 | -91.3 | 0 | 0 | 0 | 108.6 | D129 L133 | D129-F131 VanDerWaalsContact C-N 3.35Å; D129-F131 PolarHBondContact O-N 2.94Å; F131-L133 PolarHBondContact O-N 2.78Å |
| 132 | S | 47.5 | Very low | 47 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -68.1 | 98.6 | 167.8 | 51 | 0 | 0 | 0 | 0 | 108.5 | S130 | S130-S132 PolarHBondContact O-N 3.31Š|
| 133 | L | 48.4 | Very low | 48.2 | Very low | 149 Ų | 149 | 154 Ų | 154 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | | | trans | -67.7 | 129.1 | 171.8 | -88.9 | 148.1 | 0 | 0 | 0 | 108.8 | F131 T135 | F131-L133 PolarHBondContact O-N 2.78Å; L133-T135 PolarHBondContact O-N 2.93Å; L133-T135 VanDerWaalsContact O-N 3.13Å |
| 134 | P | 50.2 | Low | 48.6 | Very low | 106 Ų | 106 | 147.2 Ų | 147.2 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | | | trans | -60.1 | 120.3 | 175.3 | 22.3 | -30.6 | 0 | 0 | 0 | 109.4 | I136 | P134-I136 PolarHBondContact O-N 3.37Å; P134-I136 VanDerWaalsContact O-N 3.11Å |
| 135 | T | 48.6 | Very low | 49.5 | Very low | 127 Ų | 127 | 141 Ų | 141 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | | | trans | -73.3 | 102.9 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 108.2 | L133 N137 | L133-T135 PolarHBondContact O-N 2.93Å; L133-T135 VanDerWaalsContact O-N 3.13Å; T135-N137 PolarHBondContact O-N 2.99Å |
| 136 | I | 55.1 | Low | 50.3 | Low | 140 Ų | 140 | 140.8 Ų | 140.8 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | -82.9 | 111.6 | 173.2 | -60.7 | 172.2 | 0 | 0 | 0 | 107.4 | P134 V138 | P134-I136 PolarHBondContact O-N 3.37Å; P134-I136 VanDerWaalsContact O-N 3.11Å; I136-V138 HydrophobicContact CG2-CG2 4.41Å; I136-V138 PolarHBondContact O-N 3.5Å |
| 137 | N | 57.8 | Low | 51 | Low | 148 Ų | 148 | 139.4 Ų | 139.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -69.7 | 99 | 171.6 | -77.9 | -30.4 | 0 | 0 | 0 | 109.2 | T135 P139 | T135-N137 PolarHBondContact O-N 2.99Å; N137-P139 WeakPolarHBondContact O-CD 3.3Å |
| 138 | V | 53 | Low | 51.8 | Low | 116 Ų | 116 | 136.8 Ų | 136.8 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | | | trans | -79.7 | 119.5 | 171.3 | -177 | 0 | 0 | 0 | 0 | 108 | I136 R140 | I136-V138 HydrophobicContact CG2-CG2 4.41Å; I136-V138 PolarHBondContact O-N 3.5Å; V138-R140 PolarHBondContact O-N 2.87Å; V138-R140 VanDerWaalsContact O-N 3.08Å |
| 139 | P | 55.1 | Low | 52.5 | Low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -57.5 | 118.4 | 171.9 | -18.8 | 30.1 | 0 | 0 | 0 | 108.7 | N137 L141 | N137-P139 WeakPolarHBondContact O-CD 3.3Å; P139-L141 PolarHBondContact O-N 3.31Å |
| 140 | R | 51.9 | Low | 53.2 | Low | 237 Ų | 237 | 135.8 Ų | 135.8 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | | | trans | -63.7 | 108.7 | 171.2 | -86.5 | -177 | 167.9 | 180 | -3.2 | 107.4 | V138 N142 | V138-R140 PolarHBondContact O-N 2.87Å; V138-R140 VanDerWaalsContact O-N 3.08Å; R140-N142 PolarHBondContact O-N 2.96Å; R140-N142 VanDerWaalsContact O-N 3.13Å |
| 141 | L | 60.1 | Low | 54 | Low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | trans | -57.1 | 117.3 | 164.2 | -66.2 | 171.9 | 0 | 0 | 0 | 106.7 | P139 P143 | P139-L141 PolarHBondContact O-N 3.31Å; L141-P143 VanDerWaalsContact O-CD 3.29Å; L141-P143 WeakPolarHBondContact O-CD 3.45Å; L141-P143 VanDerWaalsContact O-N 3.14Å |
| 142 | N | 57.9 | Low | 54.3 | Low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | -56.4 | 119.7 | 174.8 | -75 | -28.6 | 0 | 0 | 0 | 107.9 | R140 T144 | R140-N142 PolarHBondContact O-N 2.96Å; R140-N142 VanDerWaalsContact O-N 3.13Å; N142-T144 PolarHBondContact O-N 2.87Å |
| 143 | P | 56.3 | Low | 54.7 | Low | 131 Ų | 131 | 134.8 Ų | 134.8 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | -76.7 | 74.6 | 175.7 | 31.4 | -31.3 | 0 | 0 | 0 | 107.7 | L141 | L141-P143 VanDerWaalsContact O-CD 3.29Å; L141-P143 WeakPolarHBondContact O-CD 3.45Å; L141-P143 VanDerWaalsContact O-N 3.14Å |
| 144 | T | 49.2 | Very low | 55.1 | Low | 107 Ų | 107 | 133.3 Ų | 133.3 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | trans | -140.5 | 37.3 | 176.1 | -26.4 | 0 | 0 | 0 | 0 | 111.4 | N142 L146 | N142-T144 PolarHBondContact O-N 2.87Å; T144-L146 VanDerWaalsContact C-N 3.33Å |
| 145 | A | 55.5 | Low | 55.2 | Low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | | | trans | -91.6 | 83.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | L147 | A145-L147 PolarHBondContact O-N 3.43Š|
| 146 | L | 57.2 | Low | 55.3 | Low | 158 Ų | 158 | 139.3 Ų | 139.3 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | -53.3 | 109.8 | 166.7 | -72.1 | 166.5 | 0 | 0 | 0 | 106.2 | T144 | T144-L146 VanDerWaalsContact C-N 3.33Š|
| 147 | L | 57.4 | Low | 55.5 | Low | 153 Ų | 153 | 141 Ų | 141 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54 | 137.3 | 172.5 | -75.4 | 163.1 | 0 | 0 | 0 | 107.4 | A145 T149 | A145-L147 PolarHBondContact O-N 3.43Å; L147-T149 PolarHBondContact O-N 2.97Å |
| 148 | P | 53.1 | Low | 55.5 | Low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 116.8 | 176.2 | 20.9 | -29.9 | 0 | 0 | 0 | 107.8 | P150 | P148-P150 WeakPolarHBondContact O-CD 3.49Š|
| 149 | T | 54.3 | Low | 55.5 | Low | 128 Ų | 128 | 138.7 Ų | 138.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 124.6 | 177.1 | 35.7 | 0 | 0 | 0 | 0 | 107.3 | L147 S151 | L147-T149 PolarHBondContact O-N 2.97Å; T149-S151 PolarHBondContact O-N 3.11Å |
| 150 | P | 59.9 | Low | 55.1 | Low | 106 Ų | 106 | 139.3 Ų | 139.3 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 121.4 | 176.6 | 19.1 | -27.3 | 0 | 0 | 0 | 107.5 | P148 T152 | P148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-T152 PolarHBondContact O-N 3.05Å |
| 151 | S | 59.1 | Low | 55.4 | Low | 105 Ų | 105 | 132.9 Ų | 132.9 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | -64.5 | 82.1 | 172.8 | 153.7 | 0 | 0 | 0 | 0 | 108.1 | T149 K153 | T149-S151 PolarHBondContact O-N 3.11Å; S151-K153 PolarHBondContact O-N 3.27Å |
| 152 | T | 53.4 | Low | 55.3 | Low | 123 Ų | 123 | 130.5 Ų | 130.5 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | -79.7 | 71.2 | 169.3 | 52 | 0 | 0 | 0 | 0 | 108.1 | P150 | P150-T152 PolarHBondContact O-N 3.05Š|
| 153 | K | 55.6 | Low | 54.9 | Low | 172 Ų | 172 | 132.6 Ų | 132.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 127.3 | 151.2 | -86.5 | -177.6 | 177.6 | 175.7 | 0 | 105.7 | S151 F155 | S151-K153 PolarHBondContact O-N 3.27Å; K153-F155 PolarHBondContact O-N 3.14Å |
| 154 | P | 56.1 | Low | 54.3 | Low | 117 Ų | 117 | 131.4 Ų | 131.4 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 128.5 | 174 | 21.9 | -29.8 | 0 | 0 | 0 | 108.1 | K156 | P154-K156 PolarHBondContact O-N 3.06Š|
| 155 | F | 53.7 | Low | 54.4 | Low | 201 Ų | 201 | 137.6 Ų | 137.6 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 122.6 | 169.2 | -73.8 | -88.4 | 0 | 0 | 0 | 107.3 | K153 E157 | K153-F155 PolarHBondContact O-N 3.14Å; F155-E157 PolarHBondContact O-N 2.85Å |
| 156 | K | 49.7 | Very low | 53.6 | Low | 158 Ų | 158 | 136.7 Ų | 136.7 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 126.2 | 171.2 | -73.3 | -169.3 | 176.5 | -174.2 | 0 | 106.9 | P154 S158 D159 | P154-K156 PolarHBondContact O-N 3.06Å; K156-S158 PolarHBondContact O-N 2.94Å; K156-D159 PolarHBondContact O-N 3.27Å; K156-D159 VanDerWaalsContact O-N 3.11Å |
| 157 | E | 59.2 | Low | 52.8 | Low | 177 Ų | 177 | 138.7 Ų | 138.7 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -58.7 | -12.3 | 178.7 | -154.4 | 163.8 | -156.1 | 0 | 0 | 113.1 | F155 D159 N160 | F155-E157 PolarHBondContact O-N 2.85Å; E157-D159 VanDerWaalsContact C-N 3.29Å; E157-D159 PolarHBondContact O-N 3.17Å; E157-N160 PolarHBondContact O-ND2 2.89Å |
| 158 | S | 57.4 | Low | 52.2 | Low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -73.9 | -8.7 | 175.1 | 62.4 | 0 | 0 | 0 | 0 | 115.3 | K156 N160 | K156-S158 PolarHBondContact O-N 2.94Å; S158-N160 PolarHBondContact O-N 3.25Å |
| 159 | D | 52.5 | Low | 51.5 | Low | 122 Ų | 122 | 146.3 Ų | 146.3 | 65% | 0.652 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -85.6 | 11.3 | 179.2 | -70.2 | -19.3 | 0 | 0 | 0 | 113.2 | K156 E157 P161 | K156-D159 PolarHBondContact O-N 3.27Å; K156-D159 VanDerWaalsContact O-N 3.11Å; E157-D159 VanDerWaalsContact C-N 3.29Å; E157-D159 PolarHBondContact O-N 3.17Å; D159-P161 WeakPolarHBondContact O-CD 3.43Å |
| 160 | N | 47.8 | Very low | 51.4 | Low | 120 Ų | 120 | 147.2 Ų | 147.2 | 64% | 0.642 | 79% | 0.79 | S | S | * | * | | | trans | -79.2 | 111.2 | 168.2 | -72.5 | -55.7 | 0 | 0 | 0 | 109.6 | E157 S158 | E157-N160 PolarHBondContact O-ND2 2.89Å; S158-N160 PolarHBondContact O-N 3.25Å |
| 161 | P | 57.1 | Low | 50.9 | Low | 102 Ų | 102 | 149.4 Ų | 149.4 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | trans | -61.9 | 142.3 | 171.3 | 26.1 | -32.5 | 0 | 0 | 0 | 109.5 | D159 H163 | D159-P161 WeakPolarHBondContact O-CD 3.43Å; P161-H163 PolarHBondContact O-N 2.95Å; P161-H163 VanDerWaalsContact O-N 3.11Å |
| 162 | P | 58 | Low | 50.5 | Low | 112 Ų | 112 | 151.8 Ų | 151.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -57.5 | 122.1 | 175.9 | 23.3 | -31.5 | 0 | 0 | 0 | 108.7 | C164 | P162-C164 PolarHBondContact O-N 2.93Å; P162-C164 PolarHBondContact O-SG 3.2Å; P162-C164 VanDerWaalsContact O-SG 3.34Å |
| 163 | H | 50.1 | Low | 50.3 | Low | 186 Ų | 186 | 153.5 Ų | 153.5 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -52.8 | 100.1 | 174.8 | -82.6 | -82.7 | 0 | 0 | 0 | 110 | P161 Y165 | P161-H163 PolarHBondContact O-N 2.95Å; P161-H163 VanDerWaalsContact O-N 3.11Å; H163-Y165 VanDerWaalsContact C-N 3.28Å; H163-Y165 PolarHBondContact O-N 3.22Å |
| 164 | C | 44.4 | Very low | 49.9 | Very low | 107 Ų | 107 | 152.4 Ų | 152.4 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | | | trans | -79 | 65.3 | 176.7 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | P162 | P162-C164 PolarHBondContact O-N 2.93Å; P162-C164 PolarHBondContact O-SG 3.2Å; P162-C164 VanDerWaalsContact O-SG 3.34Å |
| 165 | Y | 50 | Low | 49.5 | Very low | 237 Ų | 237 | 154.7 Ų | 154.7 | 93% | 0.929 | 81% | 0.808 | S | S | * | * | | | trans | -151.3 | 117.1 | 166.4 | -77.8 | -76.3 | 0 | 0 | 0 | 110.8 | H163 | H163-Y165 VanDerWaalsContact C-N 3.28Å; H163-Y165 PolarHBondContact O-N 3.22Å |
| 166 | G | 38.6 | Very low | 49.2 | Very low | 75 Ų | 75 | 151.4 Ų | 151.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | 149.4 | 22.5 | 164 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 167 | H | 41.3 | Very low | 49.2 | Very low | 200 Ų | 200 | 150.9 Ų | 150.9 | 93% | 0.926 | 81% | 0.812 | S | S | * | * | | | trans | -104.4 | 97.9 | 160.3 | -86.7 | -66.5 | 0 | 0 | 0 | 108.5 | | |
| 168 | Q | 44.8 | Very low | 48.4 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -113.7 | 133.1 | 160.9 | -70 | -167.6 | -13.5 | 0 | 0 | 107.5 | | |
| 169 | N | 38.5 | Very low | 47.6 | Very low | 242 Ų | 242 | 153.8 Ų | 153.8 | 100% | 1.294 | 83% | 0.825 | S | S | * | * | | | trans | -38.1 | 0 | -170.9 | -62.6 | -34.1 | 0 | 0 | 0 | 117.5 | | |