| 1 | M | 30.6 | Very low | 46 | Very low | 230 Ų | 230 | 129.9 Ų | 129.9 | 100% | 1.133 | 74% | 0.744 | S | S | * | * | | | | 0 | 148.7 | 0 | -77.3 | 174.1 | 66.3 | 0 | 0 | 109.8 | | |
| 2 | P | 39.8 | Very low | 47.5 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | | | trans | -77.8 | 153 | 177.3 | 32.5 | -35.3 | 0 | 0 | 0 | 112.6 | S4 | P2-S4 PolarHBondContact O-N 3.5Š|
| 3 | Y | 38.8 | Very low | 48.9 | Very low | 203 Ų | 203 | 125.8 Ų | 125.8 | 80% | 0.796 | 72% | 0.72 | S | S | * | * | | | trans | -80.5 | 100.4 | 177.7 | -75.8 | -92 | 0 | 0 | 0 | 111.7 | S5 | Y3-S5 PolarHBondContact O-N 3.23Å; Y3-S5 VanDerWaalsContact O-N 3.12Å; Y3-S5 PolarHBondContact O-OG 3.33Å |
| 4 | S | 43.5 | Very low | 49.8 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | | | trans | -63.3 | 111.4 | 168.3 | -71.2 | 0 | 0 | 0 | 0 | 110.2 | P2 S6 | P2-S4 PolarHBondContact O-N 3.5Å; S4-S6 VanDerWaalsContact C-N 3.32Å; S4-S6 PolarHBondContact O-N 2.83Å |
| 5 | S | 41.4 | Very low | 51.8 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 84% | 0.839 | 68% | 0.683 | S | S | * | * | | | trans | -80.8 | 69.7 | -168.9 | -70.1 | 0 | 0 | 0 | 0 | 113.2 | Y3 | Y3-S5 PolarHBondContact O-N 3.23Å; Y3-S5 VanDerWaalsContact O-N 3.12Å; Y3-S5 PolarHBondContact O-OG 3.33Å |
| 6 | S | 44.6 | Very low | 53.2 | Low | 105 Ų | 105 | 115 Ų | 115 | 73% | 0.734 | 68% | 0.678 | S | S | * | * | | | trans | -115.4 | 56.9 | 176 | -160.3 | 0 | 0 | 0 | 0 | 112.3 | S4 H8 | S4-S6 VanDerWaalsContact C-N 3.32Å; S4-S6 PolarHBondContact O-N 2.83Å; S6-H8 PolarHBondContact O-N 2.8Å |
| 7 | S | 45.6 | Very low | 54.9 | Low | 107 Ų | 107 | 118.6 Ų | 118.6 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | | | trans | -80.2 | 65.5 | 175 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | V9 | S7-V9 PolarHBondContact O-N 3.49Š|
| 8 | H | 48.1 | Very low | 56.2 | Low | 169 Ų | 169 | 115.1 Ų | 115.1 | 78% | 0.782 | 65% | 0.653 | S | S | * | * | | | trans | -71.8 | 57.3 | 173.7 | -168.4 | -71.7 | 0 | 0 | 0 | 111.5 | S6 P10 | S6-H8 PolarHBondContact O-N 2.8Å; H8-P10 WeakPolarHBondContact O-CD 3.49Å |
| 9 | V | 54.6 | Low | 57.6 | Low | 93 Ų | 93 | 115.6 Ų | 115.6 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | | | trans | -75.6 | 119.2 | 174.4 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | S7 L11 | S7-V9 PolarHBondContact O-N 3.49Å; V9-L11 PolarHBondContact O-N 3.33Å; V9-L11 VanDerWaalsContact O-N 3.11Å |
| 10 | P | 58.8 | Low | 58.6 | Low | 104 Ų | 104 | 115.7 Ų | 115.7 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | | | trans | -62.2 | 117.7 | -176.8 | 24 | -33.1 | 0 | 0 | 0 | 110.5 | H8 L12 | H8-P10 WeakPolarHBondContact O-CD 3.49Å; P10-L12 PolarHBondContact O-N 2.92Å |
| 11 | L | 60.3 | Low | 59.8 | Low | 67 Ų | 67 | 115.5 Ų | 115.5 | 35% | 0.351 | 64% | 0.64 | S | S | . | * | | | trans | -70.6 | 111.9 | 180 | -65.8 | 171.4 | 0 | 0 | 0 | 109.3 | V9 R17 H18 | V9-L11 PolarHBondContact O-N 3.33Å; V9-L11 VanDerWaalsContact O-N 3.11Å; L11-R17 HydrophobicContact CD1-CB 3.74Å; L11-R17 HydrophobicContact CD2-CB 4.14Å; L11-H18 HydrophobicContact CB-CB 4.12Å; L11-H18 PolarHBondContact O-ND1 3.05Å |
| 12 | L | 63.2 | Low | 61.9 | Low | 126 Ų | 126 | 109.3 Ų | 109.3 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | | | trans | -56.3 | 144 | 174.9 | -63.2 | 174 | 0 | 0 | 0 | 110.6 | P10 S14 D15 | P10-L12 PolarHBondContact O-N 2.92Å; L12-S14 PolarHBondContact O-N 3.09Å; L12-D15 PolarHBondContact O-N 2.92Å |
| 13 | P | 66.2 | Low | 63.5 | Low | 81 Ų | 81 | 112.3 Ų | 112.3 | 53% | 0.526 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.5 | -21.1 | 179.2 | -28.6 | 36.1 | 0 | 0 | 0 | 115.2 | | |
| 14 | S | 61.5 | Low | 65.3 | Low | 106 Ų | 106 | 109.4 Ų | 109.4 | 74% | 0.741 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -24.1 | 175.7 | -48 | 0 | 0 | 0 | 0 | 114.2 | L12 | L12-S14 PolarHBondContact O-N 3.09Š|
| 15 | D | 79.4 | Confident | 66.7 | Low | 25 Ų | 25 | 106.8 Ų | 106.8 | 13% | 0.134 | 58% | 0.58 | C | S | . | * | S | Bend | trans | -77.9 | 141.4 | -175.7 | -168.4 | 39.5 | 0 | 0 | 0 | 112.3 | L12 R17 H18 K19 R1433 | L12-D15 PolarHBondContact O-N 2.92Å; D15-R17 PolarHBondContact O-N 2.75Å; D15-R17 WeakPolarHBondContact OD2-CB 3.34Å; D15-H18 PolarHBondContact O-N 3.08Å; D15-K19 PolarHBondContact O-N 3.36Å; D15-R1433 IonicContact OD1-CZ 3.71Å; D15-R1433 VanDerWaalsContact OD1-CZ 3.3Å; D15-R1433 IonicContact OD1-NH1 2.7Å; D15-R1433 PolarHBondContact OD1-NH1 3.28Å; D15-R1433 IonicContact OD1-NH2 2.65Å; D15-R1433 PolarHBondContact OD1-NH2 3.13Å; D15-R1433 IonicContact OD2-NH1 2.73Å |
| 16 | A | 74.5 | Confident | 67.8 | Low | 73 Ų | 73 | 110.5 Ų | 110.5 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.7 | -30.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K19 L20 | A16-K19 PolarHBondContact O-N 3.23Å; A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 3.28Å |
| 17 | R | 81.5 | Confident | 68.5 | Low | 176 Ų | 176 | 111 Ų | 111 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.6 | -40.7 | 173.2 | -77.6 | -170.5 | 163.8 | -150.1 | -2.4 | 112.8 | L11 D15 L20 Q21 | L11-R17 HydrophobicContact CD1-CB 3.74Å; L11-R17 HydrophobicContact CD2-CB 4.14Å; D15-R17 PolarHBondContact O-N 2.75Å; D15-R17 WeakPolarHBondContact OD2-CB 3.34Å; R17-L20 PolarHBondContact O-N 3.24Å; R17-Q21 WeakPolarHBondContact O-CB 3.46Å; R17-Q21 PolarHBondContact O-N 3.27Å |
| 18 | H | 78.1 | Confident | 69 | Low | 55 Ų | 55 | 110.2 Ų | 110.2 | 26% | 0.255 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.6 | -46.8 | 177.5 | -164.2 | 145.4 | 0 | 0 | 0 | 110 | L11 D15 L20 Q21 L22 | L11-H18 HydrophobicContact CB-CB 4.12Å; L11-H18 PolarHBondContact O-ND1 3.05Å; D15-H18 PolarHBondContact O-N 3.08Å; H18-L20 VanDerWaalsContact C-N 3.26Å; H18-L20 PolarHBondContact O-N 3.5Å; H18-Q21 WeakPolarHBondContact O-CB 3.49Å; H18-Q21 PolarHBondContact O-N 3.3Å; H18-Q21 VanDerWaalsContact O-N 3.16Å; H18-L22 VanDerWaalsContact CD2-CD1 3.49Å; H18-L22 WeakPolarHBondContact CD2-CD1 3.39Å; H18-L22 PolarHBondContact O-N 2.98Å |
| 19 | K | 83.8 | Confident | 69.2 | Low | 126 Ų | 126 | 106.9 Ų | 106.9 | 55% | 0.548 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.1 | -31.5 | 176.2 | -67.9 | -179.3 | 179.5 | 175.5 | 0 | 113.1 | D15 A16 R23 | D15-K19 PolarHBondContact O-N 3.36Å; A16-K19 PolarHBondContact O-N 3.23Å; K19-R23 WeakPolarHBondContact O-CG 3.45Å; K19-R23 PolarHBondContact O-N 3.26Å |
| 20 | L | 77.8 | Confident | 69.1 | Low | 117 Ų | 117 | 105.9 Ų | 105.9 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.5 | -41.2 | 173.2 | -160.3 | 75.9 | 0 | 0 | 0 | 112.1 | A16 R17 H18 R23 K24 | A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 3.28Å; R17-L20 PolarHBondContact O-N 3.24Å; H18-L20 VanDerWaalsContact C-N 3.26Å; H18-L20 PolarHBondContact O-N 3.5Å; L20-R23 PolarHBondContact O-N 3.49Å; L20-K24 PolarHBondContact O-N 2.88Å |
| 21 | Q | 82.7 | Confident | 68.4 | Low | 112 Ų | 112 | 103 Ų | 103 | 52% | 0.523 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.8 | -50.8 | 176.6 | -163.8 | 81.1 | 14 | 0 | 0 | 110.5 | R17 H18 R23 K24 C25 | R17-Q21 WeakPolarHBondContact O-CB 3.46Å; R17-Q21 PolarHBondContact O-N 3.27Å; H18-Q21 WeakPolarHBondContact O-CB 3.49Å; H18-Q21 PolarHBondContact O-N 3.3Å; H18-Q21 VanDerWaalsContact O-N 3.16Å; Q21-R23 VanDerWaalsContact C-N 3.33Å; Q21-R23 PolarHBondContact O-N 2.91Å; Q21-K24 WeakPolarHBondContact O-CA 3.46Å; Q21-K24 WeakPolarHBondContact O-CB 3.37Å; Q21-K24 PolarHBondContact O-N 2.86Å; Q21-C25 PolarHBondContact O-N 3.43Å; Q21-C25 PolarHBondContact O-SG 2.88Å |
| 22 | L | 74.8 | Confident | 67.5 | Low | 100 Ų | 100 | 108 Ų | 108 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -59.8 | -41.3 | 177.7 | -72.3 | 169.9 | 0 | 0 | 0 | 112.2 | H18 K24 C25 Y26 | H18-L22 VanDerWaalsContact CD2-CD1 3.49Å; H18-L22 WeakPolarHBondContact CD2-CD1 3.39Å; H18-L22 PolarHBondContact O-N 2.98Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 3.43Å; L22-C25 PolarHBondContact O-N 3.25Å; L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 3.03Å |
| 23 | R | 74.5 | Confident | 66.5 | Low | 180 Ų | 180 | 105 Ų | 105 | 68% | 0.679 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.5 | -33.7 | 173.6 | -74.6 | 176.1 | -176.1 | -178.8 | 1.8 | 112.3 | K19 L20 Q21 N27 | K19-R23 WeakPolarHBondContact O-CG 3.45Å; K19-R23 PolarHBondContact O-N 3.26Å; L20-R23 PolarHBondContact O-N 3.49Å; Q21-R23 VanDerWaalsContact C-N 3.33Å; Q21-R23 PolarHBondContact O-N 2.91Å; R23-N27 PolarHBondContact O-N 3.09Å; R23-N27 PolarHBondContact O-ND2 3.39Å |
| 24 | K | 77 | Confident | 65.4 | Low | 142 Ų | 142 | 110.5 Ų | 110.5 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69 | -54 | 176.4 | -144.4 | -179.2 | -177.5 | -168.3 | 0 | 110.4 | L20 Q21 L22 Y26 N27 D28 | L20-K24 PolarHBondContact O-N 2.88Å; Q21-K24 WeakPolarHBondContact O-CA 3.46Å; Q21-K24 WeakPolarHBondContact O-CB 3.37Å; Q21-K24 PolarHBondContact O-N 2.86Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-K24 PolarHBondContact O-N 3.43Å; K24-Y26 VanDerWaalsContact C-N 3.26Å; K24-Y26 PolarHBondContact O-N 3.37Å; K24-N27 WeakPolarHBondContact O-CA 2.99Å; K24-N27 PolarHBondContact O-N 3.04Å; K24-D28 VanDerWaalsContact O-CG 3.29Å; K24-D28 PolarHBondContact O-N 3.24Å |
| 25 | C | 71.7 | Confident | 64.3 | Low | 58 Ų | 58 | 111.8 Ų | 111.8 | 39% | 0.392 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -53 | -41.2 | 176.2 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | Q21 L22 N27 D28 S29 | Q21-C25 PolarHBondContact O-N 3.43Å; Q21-C25 PolarHBondContact O-SG 2.88Å; L22-C25 PolarHBondContact O-N 3.25Å; C25-N27 VanDerWaalsContact C-N 3.29Å; C25-N27 PolarHBondContact O-N 3.5Å; C25-D28 PolarHBondContact O-N 2.94Å; C25-S29 WeakPolarHBondContact O-CB 3.28Å; C25-S29 PolarHBondContact O-N 3.19Å; C25-S29 PolarHBondContact O-OG 3.27Å; C25-S29 VanDerWaalsContact O-OG 3.08Å |
| 26 | Y | 64.5 | Low | 62.3 | Low | 199 Ų | 199 | 117.1 Ų | 117.1 | 78% | 0.78 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.7 | -26.1 | 178.3 | -132.7 | -84 | 0 | 0 | 0 | 114 | L22 K24 | L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 3.03Å; K24-Y26 VanDerWaalsContact C-N 3.26Å; K24-Y26 PolarHBondContact O-N 3.37Å |
| 27 | N | 59.7 | Low | 60.8 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 62% | 0.62 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -81.6 | -41.9 | 172.2 | -77.2 | -81.7 | 0 | 0 | 0 | 111.2 | R23 K24 C25 S29 A30 G31 | R23-N27 PolarHBondContact O-N 3.09Å; R23-N27 PolarHBondContact O-ND2 3.39Å; K24-N27 WeakPolarHBondContact O-CA 2.99Å; K24-N27 PolarHBondContact O-N 3.04Å; C25-N27 VanDerWaalsContact C-N 3.29Å; C25-N27 PolarHBondContact O-N 3.5Å; N27-S29 PolarHBondContact O-N 3.37Å; N27-A30 WeakPolarHBondContact O-CB 3.35Å; N27-A30 PolarHBondContact O-N 2.93Å; N27-G31 PolarHBondContact O-N 3.39Å |
| 28 | D | 56.5 | Low | 58.7 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 48% | 0.481 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62 | -44.4 | 179.2 | -57.7 | -35 | 0 | 0 | 0 | 110.7 | K24 C25 A30 G31 | K24-D28 VanDerWaalsContact O-CG 3.29Å; K24-D28 PolarHBondContact O-N 3.24Å; C25-D28 PolarHBondContact O-N 2.94Å; D28-A30 PolarHBondContact O-N 2.93Å; D28-G31 PolarHBondContact O-N 3.33Å; D28-G31 VanDerWaalsContact O-N 3.15Å |
| 29 | S | 52 | Low | 56.7 | Low | 98 Ų | 98 | 124.6 Ų | 124.6 | 69% | 0.685 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.1 | -25.2 | 173 | -61.2 | 0 | 0 | 0 | 0 | 114 | C25 N27 | C25-S29 WeakPolarHBondContact O-CB 3.28Å; C25-S29 PolarHBondContact O-N 3.19Å; C25-S29 PolarHBondContact O-OG 3.27Å; C25-S29 VanDerWaalsContact O-OG 3.08Å; N27-S29 PolarHBondContact O-N 3.37Å |
| 30 | A | 51.8 | Low | 54.5 | Low | 72 Ų | 72 | 123.8 Ų | 123.8 | 60% | 0.595 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -82.9 | -13.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | N27 D28 | N27-A30 WeakPolarHBondContact O-CB 3.35Å; N27-A30 PolarHBondContact O-N 2.93Å; D28-A30 PolarHBondContact O-N 2.93Å |
| 31 | G | 44.2 | Very low | 52.6 | Low | 44 Ų | 44 | 122.5 Ų | 122.5 | 45% | 0.454 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -84.4 | -31.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N27 D28 G33 | N27-G31 PolarHBondContact O-N 3.39Å; D28-G31 PolarHBondContact O-N 3.33Å; D28-G31 VanDerWaalsContact O-N 3.15Å; G31-G33 PolarHBondContact O-N 3.41Å |
| 32 | M | 42.9 | Very low | 50.2 | Low | 173 Ų | 173 | 122.6 Ų | 122.6 | 85% | 0.852 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 45.3 | -166.8 | -62.3 | -64.9 | 100.7 | 0 | 0 | 114.9 | | |
| 33 | G | 42.4 | Very low | 48.3 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.5 | 20.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | G31 | G31-G33 PolarHBondContact O-N 3.41Š|
| 34 | K | 41.7 | Very low | 46.3 | Very low | 195 Ų | 195 | 120.3 Ų | 120.3 | 85% | 0.848 | 63% | 0.632 | S | S | * | * | | | trans | -136.8 | 52.2 | -177.7 | -68.2 | -175.4 | -179.5 | 166.7 | 0 | 113.8 | | |
| 35 | T | 38.3 | Very low | 44.1 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 82% | 0.822 | 64% | 0.643 | S | S | * | * | | | trans | -73.4 | 131.3 | 162.5 | 30.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 36 | D | 38.4 | Very low | 42.6 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | | | trans | 94.4 | 158.8 | 136.9 | -112.2 | -26.1 | 0 | 0 | 0 | 126 | R38 | D36-R38 PolarHBondContact O-N 3Š|
| 37 | I | 42.6 | Very low | 41 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 70% | 0.703 | 67% | 0.665 | S | S | * | * | | | trans | 31.9 | 41.9 | 160.4 | -38.2 | 161.9 | 0 | 0 | 0 | 119.5 | R39 | I37-R39 PolarHBondContact O-N 3.2Š|
| 38 | R | 38.2 | Very low | 39.7 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 55% | 0.551 | 68% | 0.679 | S | S | * | * | | | trans | -65.4 | 113.5 | 151.7 | -151.9 | -165.3 | -52.2 | -173.4 | -0 | 108.1 | D36 I236 R237 | D36-R38 PolarHBondContact O-N 3Å; R38-I236 WeakPolarHBondContact CD-O 3.31Å; R38-I236 WeakPolarHBondContact CG-O 3.48Å; R38-R237 HydrophobicContact CB-CG 4.42Å; R38-R237 HydrophobicContact CG-CB 4.06Å; R38-R237 HydrophobicContact CG-CG 3.89Å; R38-R237 WeakPolarHBondContact O-CD 3.23Å; R38-R237 PolarHBondContact O-NH1 3.5Å |
| 39 | R | 36.5 | Very low | 38.4 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 67% | 0.668 | 69% | 0.689 | S | S | * | * | | | trans | -168.8 | 151.2 | 165.4 | -82.5 | -169.7 | -174.1 | 175.9 | 2.7 | 109.2 | I37 R237 | I37-R39 PolarHBondContact O-N 3.2Å; R39-R237 CarbonylContact C-O 2.81Å; R39-R237 VanDerWaalsContact C-O 3.25Å |
| 40 | H | 36.9 | Very low | 37.9 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 51% | 0.505 | 70% | 0.699 | S | S | . | * | | | trans | 102.8 | 96.5 | 170.6 | -69.5 | -113.2 | 0 | 0 | 0 | 121.3 | R237 R239 | H40-R237 CarbonylContact C-O 3.43Å; H40-R237 VanDerWaalsContact CA-O 3.24Å; H40-R237 WeakPolarHBondContact CA-O 3.49Å; H40-R237 PolarHBondContact N-O 2.88Å; H40-R237 VanDerWaalsContact O-O 3.04Å; H40-R239 PolarHBondContact CD2-NE 3.37Å; H40-R239 PolarHBondContact CE1-NE 3.07Å; H40-R239 PolarHBondContact CE1-NH2 2.87Å; H40-R239 VanDerWaalsContact CE1-NH2 3.28Å; H40-R239 PolarHBondContact ND1-NE 3.35Å; H40-R239 VanDerWaalsContact NE2-CZ 3.31Å; H40-R239 PolarHBondContact NE2-NE 3.48Å; H40-R239 VanDerWaalsContact NE2-NE 3.14Å; H40-R239 PolarHBondContact NE2-NH2 3.21Å |
| 41 | V | 36.6 | Very low | 36.8 | Very low | 90 Ų | 90 | 139 Ų | 139 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | | | trans | 71.1 | 134.9 | 157.2 | -169.8 | 0 | 0 | 0 | 0 | 114.8 | R237 G238 R239 | V41-R237 PolarHBondContact N-O 3Å; V41-R237 CarbonylContact O-C 3.49Å; V41-G238 PolarHBondContact N-O 2.99Å; V41-G238 PolarHBondContact O-N 2.93Å; V41-R239 HydrophobicContact CG2-CB 3.99Å |
| 42 | R | 32.6 | Very low | 36.6 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 43% | 0.434 | 73% | 0.732 | S | S | . | * | | | cis | 104.3 | 123.6 | 17.6 | -108.1 | -155.4 | 136.6 | 99.1 | -1 | 116.2 | R239 R240 | R42-R239 WeakPolarHBondContact CB-O 3.34Å; R42-R239 WeakPolarHBondContact CD-O 3.45Å; R42-R239 WeakPolarHBondContact CG-O 3.23Å; R42-R240 WeakPolarHBondContact CD-O 3.44Å; R42-R240 PolarHBondContact NE-O 2.84Å |
| 43 | D | 34.6 | Very low | 36.2 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | | | trans | 54.5 | 104 | 149.8 | -52.5 | -1.7 | 0 | 0 | 0 | 119.6 | | |
| 44 | T | 33 | Very low | 35.9 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | | | trans | -145 | 128.9 | 139.5 | -66.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 45 | E | 31.3 | Very low | 35.7 | Very low | 184 Ų | 184 | 144.8 Ų | 144.8 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | | | trans | -100.2 | 135.5 | -177.9 | -63.7 | 175.8 | 157.2 | 0 | 0 | 109.7 | | |
| 46 | H | 39.3 | Very low | 35.8 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | | | trans | -137 | 141.5 | 173.1 | -75.4 | -37.7 | 0 | 0 | 0 | 110.8 | | |
| 47 | D | 31.4 | Very low | 36.1 | Very low | 158 Ų | 158 | 152.4 Ų | 152.4 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | | | trans | -73.1 | 146.3 | -158.9 | -86.4 | -66.9 | 0 | 0 | 0 | 116.3 | S49 | D47-S49 VanDerWaalsContact C-N 3.32Å; D47-S49 PolarHBondContact O-N 3.34Å; D47-S49 VanDerWaalsContact O-N 3.12Å |
| 48 | T | 31.8 | Very low | 36 | Very low | 151 Ų | 151 | 156.5 Ų | 156.5 | 93% | 0.926 | 75% | 0.752 | S | S | * | * | | | trans | -89.2 | 60.1 | 178.9 | 46.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 49 | S | 30.9 | Very low | 36 | Very low | 98 Ų | 98 | 156.6 Ų | 156.6 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | trans | -112.6 | 111.7 | 172.4 | 87.1 | 0 | 0 | 0 | 0 | 112 | D47 | D47-S49 VanDerWaalsContact C-N 3.32Å; D47-S49 PolarHBondContact O-N 3.34Å; D47-S49 VanDerWaalsContact O-N 3.12Å |
| 50 | L | 41.2 | Very low | 35.8 | Very low | 173 Ų | 173 | 154 Ų | 154 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | | | trans | 175.4 | 67.6 | 148.6 | -97.9 | 172 | 0 | 0 | 0 | 110.1 | | |
| 51 | R | 28.8 | Very low | 35.8 | Very low | 236 Ų | 236 | 160.3 Ų | 160.3 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -121.1 | 72.5 | 173 | -171.3 | -172.3 | 168.5 | 144.7 | 1.8 | 110.9 | | |
| 52 | L | 39 | Very low | 35.5 | Very low | 162 Ų | 162 | 159.6 Ų | 159.6 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -129.6 | 106.3 | 174.2 | -69.9 | 176 | 0 | 0 | 0 | 110.7 | | |
| 53 | G | 34 | Very low | 35.4 | Very low | 84 Ų | 84 | 161.9 Ų | 161.9 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | | | trans | -92.2 | 123.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 54 | I | 37.8 | Very low | 35.2 | Very low | 165 Ų | 165 | 160.5 Ų | 160.5 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | | | trans | -92.6 | 119.9 | -178.2 | -61.9 | 178.1 | 0 | 0 | 0 | 110.7 | | |
| 55 | K | 37.5 | Very low | 35.3 | Very low | 185 Ų | 185 | 162 Ų | 162 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | -97.8 | 96.1 | -171.9 | -178.1 | 175.2 | 179.7 | 172.1 | 0 | 111.7 | | |
| 56 | R | 39.4 | Very low | 35.1 | Very low | 221 Ų | 221 | 159.6 Ų | 159.6 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | | | trans | -67.1 | 137.9 | 174.1 | -71.2 | -171.2 | -82.6 | -158 | -2.4 | 111.1 | | |
| 57 | R | 43.8 | Very low | 34.9 | Very low | 211 Ų | 211 | 157.6 Ų | 157.6 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | | | trans | -115.9 | 132.6 | 179 | -52.6 | -179.4 | -168.1 | -176.7 | 4.3 | 108.8 | | |
| 58 | Y | 41.9 | Very low | 34.9 | Very low | 222 Ų | 222 | 155.4 Ų | 155.4 | 87% | 0.871 | 81% | 0.81 | S | S | * | * | | | trans | -99.5 | 120.6 | 166.6 | -72.7 | -73.6 | 0 | 0 | 0 | 109.3 | | |
| 59 | N | 37.8 | Very low | 35 | Very low | 149 Ų | 149 | 158.3 Ų | 158.3 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -90.3 | 112.3 | -177.8 | -69.6 | -34.6 | 0 | 0 | 0 | 110 | | |
| 60 | S | 33.4 | Very low | 34.9 | Very low | 121 Ų | 121 | 161 Ų | 161 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -86.8 | 118.1 | 166.3 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 61 | R | 36.5 | Very low | 34.5 | Very low | 243 Ų | 243 | 159.1 Ų | 159.1 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | | | trans | -142.5 | 105.6 | 163.4 | -80.2 | -171.4 | 172.9 | -173 | -1.9 | 107.9 | | |
| 62 | G | 30.3 | Very low | 34.8 | Very low | 74 Ų | 74 | 151.5 Ų | 151.5 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | | | trans | -84.6 | 173.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 63 | N | 30.9 | Very low | 34.5 | Very low | 164 Ų | 164 | 153 Ų | 153 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | -147.8 | 159.6 | 154 | -148.7 | 11.6 | 0 | 0 | 0 | 110.6 | | |
| 64 | S | 30.4 | Very low | 34.5 | Very low | 80 Ų | 80 | 157.8 Ų | 157.8 | 56% | 0.559 | 81% | 0.806 | S | S | * | * | | | trans | -82.6 | 163.8 | -179 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 65 | N | 33.8 | Very low | 34.4 | Very low | 154 Ų | 154 | 159 Ų | 159 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | | -168.6 | 161.7 | 107.5 | -89.1 | -8.3 | 0 | 0 | 0 | 112.4 | | |
| 66 | V | 27.9 | Very low | 34.2 | Very low | 133 Ų | 133 | 160.7 Ų | 160.7 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | -108.5 | 136.4 | -171.4 | 174.6 | 0 | 0 | 0 | 0 | 110 | | |
| 67 | V | 35.2 | Very low | 34.4 | Very low | 125 Ų | 125 | 157.1 Ų | 157.1 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | trans | -134.5 | 132.7 | 159.2 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | Y69 | V67-Y69 HydrophobicContact CG1-CD2 3.79Å; V67-Y69 HydrophobicContact CG1-CE2 3.7Å |
| 68 | N | 30.3 | Very low | 34.1 | Very low | 112 Ų | 112 | 157.4 Ų | 157.4 | 60% | 0.599 | 80% | 0.804 | S | S | * | * | | | trans | -105.7 | 131.8 | 175.7 | 172.5 | 24 | 0 | 0 | 0 | 108.9 | H70 | N68-H70 PolarHBondContact OD1-CE1 3.45Å; N68-H70 PolarHBondContact OD1-ND1 3.14Å |
| 69 | Y | 34.5 | Very low | 33.8 | Very low | 213 Ų | 213 | 155.4 Ų | 155.4 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | -130.6 | 129.4 | 163.7 | -89.7 | -80.1 | 0 | 0 | 0 | 110 | V67 | V67-Y69 HydrophobicContact CG1-CD2 3.79Å; V67-Y69 HydrophobicContact CG1-CE2 3.7Å |
| 70 | H | 28.2 | Very low | 33.4 | Very low | 155 Ų | 155 | 153.1 Ų | 153.1 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | | | trans | -111.7 | 170.6 | 173.9 | -85.8 | 44.4 | 0 | 0 | 0 | 109.6 | N68 | N68-H70 PolarHBondContact OD1-CE1 3.45Å; N68-H70 PolarHBondContact OD1-ND1 3.14Å |
| 71 | S | 33.4 | Very low | 33.4 | Very low | 133 Ų | 133 | 153 Ų | 153 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | 73.7 | 128.5 | 171.4 | -159.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 72 | G | 35.5 | Very low | 33.2 | Very low | 76 Ų | 76 | 147.7 Ų | 147.7 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | 172.6 | 34.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q74 | G72-Q74 PolarHBondContact O-N 3.02Š|
| 73 | E | 31.6 | Very low | 33.1 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -77.8 | 104 | 175.6 | -71.2 | -160.6 | 143.6 | 0 | 0 | 111.4 | | |
| 74 | Q | 35.1 | Very low | 33.2 | Very low | 184 Ų | 184 | 150.7 Ų | 150.7 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -147.5 | 95.2 | 163.6 | -115.1 | 159.8 | 37.5 | 0 | 0 | 114.6 | G72 | G72-Q74 PolarHBondContact O-N 3.02Š|
| 75 | K | 35.3 | Very low | 32.8 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | | | trans | 31.5 | 103.1 | 142.2 | -62.8 | 176.9 | -177.9 | 174.8 | 0 | 117.2 | I77 | K75-I77 PolarHBondContact O-N 2.91Š|
| 76 | R | 33.8 | Very low | 32.7 | Very low | 220 Ų | 220 | 153.6 Ų | 153.6 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | | | trans | -41.8 | 97.9 | 158.5 | 174.7 | -176.5 | 61.6 | -159 | -5.1 | 112.4 | | |
| 77 | I | 42.1 | Very low | 33.3 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | trans | -74.4 | 125.6 | 172.2 | -61.9 | 174 | 0 | 0 | 0 | 108.9 | K75 K79 | K75-I77 PolarHBondContact O-N 2.91Å; I77-K79 HydrophobicContact CG2-CB 4.49Å; I77-K79 HydrophobicContact CG2-CG 4.25Å |
| 78 | R | 38.5 | Very low | 32.9 | Very low | 218 Ų | 218 | 151.7 Ų | 151.7 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | | | trans | -114.2 | 104.1 | 162.3 | -78.8 | -176.5 | 171.9 | 177.7 | -4 | 108.3 | | |
| 79 | K | 35.6 | Very low | 33.3 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | -142.7 | 115 | 163.1 | -66.5 | -173.3 | 175.6 | -173.2 | 0 | 105.5 | I77 | I77-K79 HydrophobicContact CG2-CB 4.49Å; I77-K79 HydrophobicContact CG2-CG 4.25Å |
| 80 | S | 29.1 | Very low | 33.2 | Very low | 101 Ų | 101 | 148.4 Ų | 148.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | | 71.1 | 106.5 | 55.3 | 78.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 81 | S | 32.9 | Very low | 33.3 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 44.1 | 133.2 | 150.3 | -49.3 | 0 | 0 | 0 | 0 | 119 | | |
| 82 | P | 33.5 | Very low | 33.5 | Very low | 133 Ų | 133 | 147.8 Ų | 147.8 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | | -152.9 | 175.7 | 65.8 | 41.2 | -22.6 | 0 | 0 | 0 | 117.4 | | |
| 83 | G | 26.7 | Very low | 33.1 | Very low | 57 Ų | 57 | 151.5 Ų | 151.5 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | | | trans | 127.4 | 111 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 84 | Y | 33.1 | Very low | 33 | Very low | 244 Ų | 244 | 146.3 Ų | 146.3 | 96% | 0.957 | 78% | 0.776 | S | S | * | * | | | trans | 52.5 | 140.9 | 151.5 | -56.8 | -87 | 0 | 0 | 0 | 120.7 | | |
| 85 | G | 23.3 | Very low | 32.9 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | cis | 164.2 | 117.6 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 86 | Y | 31.9 | Very low | 32.9 | Very low | 226 Ų | 226 | 142.6 Ų | 142.6 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | | | trans | -57.6 | 167 | 172.3 | -93.2 | -105.9 | 0 | 0 | 0 | 113.1 | | |
| 87 | P | 40.6 | Very low | 32.7 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | | | cis | -150.2 | 168.5 | 40.4 | 43.1 | -22 | 0 | 0 | 0 | 121.7 | | |
| 88 | S | 26.3 | Very low | 32.4 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | 41.8 | 128.5 | 143.4 | -56.4 | 0 | 0 | 0 | 0 | 124 | | |
| 89 | A | 38.5 | Very low | 32.1 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | | -138.7 | 153.1 | 119.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 90 | E | 32.4 | Very low | 32 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | -37.6 | 121.7 | 179.2 | -80.8 | 57.5 | -143.8 | 0 | 0 | 114.1 | | |
| 91 | S | 30.5 | Very low | 32 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | | 73.4 | 96 | 71.1 | 81.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 92 | H | 36.3 | Very low | 32.1 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -134.8 | 117.6 | 156.5 | -95.3 | -84.6 | 0 | 0 | 0 | 109 | | |
| 93 | N | 27.9 | Very low | 31.9 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -98 | 108 | 171.9 | -74.9 | -4.3 | 0 | 0 | 0 | 109.2 | | |
| 94 | S | 30.5 | Very low | 32 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 59% | 0.587 | 76% | 0.761 | S | S | * | * | | | trans | 173.6 | 123.6 | 167.4 | 49.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 95 | D | 31.8 | Very low | 31.9 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | cis | -131.7 | 142 | 10 | -60.2 | -57.5 | 0 | 0 | 0 | 111.6 | | |
| 96 | E | 35.2 | Very low | 32.4 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | -66.5 | 133 | 170.3 | -75.4 | 81.5 | 175.5 | 0 | 0 | 113.3 | W98 | E96-W98 PolarHBondContact O-N 2.95Š|
| 97 | E | 30.5 | Very low | 32.6 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | 18.4 | 92.6 | 139.9 | -173.4 | 163.4 | -161.4 | 0 | 0 | 117.9 | N99 | E97-N99 HydrophobicContact CG-CB 3.91Å; E97-N99 PolarHBondContact O-N 3.22Å; E97-N99 PolarHBondContact OE1-ND2 3.4Å |
| 98 | W | 35.5 | Very low | 32.2 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | | | trans | -71.4 | 67.4 | 168.1 | -76.5 | 89.4 | 0 | 0 | 0 | 112.8 | E96 | E96-W98 PolarHBondContact O-N 2.95Š|
| 99 | N | 32.8 | Very low | 32.5 | Very low | 125 Ų | 125 | 146 Ų | 146 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | trans | -129.4 | 37.6 | 174.6 | -81.9 | -46.3 | 0 | 0 | 0 | 114 | E97 | E97-N99 HydrophobicContact CG-CB 3.91Å; E97-N99 PolarHBondContact O-N 3.22Å; E97-N99 PolarHBondContact OE1-ND2 3.4Å |
| 100 | L | 33.7 | Very low | 31.9 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | -124.5 | 135.7 | 158.7 | -66.7 | 93.9 | 0 | 0 | 0 | 110.1 | | |
| 101 | G | 27.5 | Very low | 32 | Very low | 70 Ų | 70 | 147 Ų | 147 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | cis | 131.9 | 19.8 | 3.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 102 | I | 34.8 | Very low | 31.9 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | -106.2 | 125.2 | 180 | -67.6 | 77.2 | 0 | 0 | 0 | 110.7 | | |
| 103 | N | 29.4 | Very low | 31.7 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | | | trans | -84 | 140.4 | 170.5 | -84.4 | -86.9 | 0 | 0 | 0 | 111.5 | T105 | N103-T105 PolarHBondContact O-N 3.05Š|
| 104 | K | 30.2 | Very low | 31.8 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | 33.6 | 88.3 | 140.2 | -55.2 | 176.9 | -174 | 175.7 | 0 | 117.1 | | |
| 105 | T | 31.5 | Very low | 31.8 | Very low | 133 Ų | 133 | 152 Ų | 152 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -107.5 | 134.4 | 156.8 | 42.7 | 0 | 0 | 0 | 0 | 111.5 | N103 | N103-T105 PolarHBondContact O-N 3.05Š|
| 106 | V | 32.8 | Very low | 31.6 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 144.1 | -171 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 107 | P | 36.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 151 Ų | 151 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 139.8 | -172.4 | 24.3 | -36 | 0 | 0 | 0 | 114 | | |
| 108 | R | 32 | Very low | 31.8 | Very low | 231 Ų | 231 | 151.8 Ų | 151.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 124.9 | 177.3 | -94.2 | 173.8 | 135.6 | 86.2 | -8.2 | 112 | | |
| 109 | K | 31.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 51.5 | 95.3 | 146 | -63.4 | -167.3 | 173.2 | -167.8 | 0 | 118.6 | | |
| 110 | V | 27.4 | Very low | 31.5 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | | 1.9 | 119.8 | 125.3 | -168.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 111 | T | 32.7 | Very low | 31.5 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | | | trans | -125.7 | 112.6 | 147.3 | 35.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 112 | S | 28.9 | Very low | 31.3 | Very low | 100 Ų | 100 | 155.8 Ų | 155.8 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | | | trans | -81.3 | 120.8 | 178.7 | 51 | 0 | 0 | 0 | 0 | 111.3 | | |
| 113 | L | 33.4 | Very low | 31.4 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | | | trans | -111.1 | 101 | 159 | -82.3 | 172.9 | 0 | 0 | 0 | 109.3 | | |
| 114 | S | 29.2 | Very low | 31.4 | Very low | 97 Ų | 97 | 154.9 Ų | 154.9 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | | | trans | -88.7 | 134.1 | 178.5 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 115 | R | 30.2 | Very low | 31.3 | Very low | 239 Ų | 239 | 149.3 Ų | 149.3 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | | -172.1 | 123.5 | 129.3 | -101.1 | 160.6 | -145.1 | -135.5 | 4.9 | 111 | | |
| 116 | N | 27.1 | Very low | 31.3 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -85.1 | -169.7 | 162.3 | -61.6 | -35.5 | 0 | 0 | 0 | 108.6 | | |
| 117 | P | 36.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 150 Ų | 150 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | | -129.3 | 159.1 | -77.7 | 38.5 | -24.3 | 0 | 0 | 0 | 112.3 | | |
| 118 | L | 35.4 | Very low | 30.8 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 88% | 0.88 | 81% | 0.81 | S | S | * | * | | | trans | -139.4 | 134.1 | 169.2 | -72.6 | 174.4 | 0 | 0 | 0 | 110.7 | | |
| 119 | L | 34.7 | Very low | 30.7 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | | | trans | 61.5 | 110.4 | 175.6 | -48.3 | 176.2 | 0 | 0 | 0 | 113.9 | | |
| 120 | S | 26.8 | Very low | 30.8 | Very low | 111 Ų | 111 | 150.5 Ų | 150.5 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | | | cis | 71 | 71.7 | 20.9 | -157.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 121 | T | 33 | Very low | 31.1 | Very low | 149 Ų | 149 | 153.3 Ų | 153.3 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | | | trans | -162.4 | 169.9 | 136.5 | 5.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 122 | R | 24.4 | Very low | 31 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -104.8 | -173.7 | -164.8 | -126.7 | -168.2 | 160.9 | 168.1 | -7.1 | 112 | | |
| 123 | P | 36 | Very low | 31.1 | Very low | 90 Ų | 90 | 156.5 Ų | 156.5 | 58% | 0.584 | 82% | 0.815 | S | S | * | * | | | trans | -119.6 | -158.5 | -133.1 | 36.8 | -14.8 | 0 | 0 | 0 | 114.2 | | |
| 124 | H | 29.6 | Very low | 31.2 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | trans | 89.7 | 74 | 173.6 | -51.4 | -68.5 | 0 | 0 | 0 | 117.2 | | |
| 125 | G | 27.7 | Very low | 31.6 | Very low | 78 Ų | 78 | 154.7 Ų | 154.7 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -117.9 | 86.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G127 | G125-G127 PolarHBondContact O-N 3.34Å; G125-G127 VanDerWaalsContact O-N 3.09Å |
| 126 | Y | 30.8 | Very low | 31.6 | Very low | 220 Ų | 220 | 149.3 Ų | 149.3 | 86% | 0.863 | 79% | 0.794 | S | S | * | * | | | trans | -71.5 | 101.3 | 174.1 | -88.6 | -81.5 | 0 | 0 | 0 | 110 | | |
| 127 | G | 29.5 | Very low | 31.9 | Very low | 58 Ų | 58 | 151.3 Ų | 151.3 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | | | trans | -123.6 | 53.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G125 R129 | G125-G127 PolarHBondContact O-N 3.34Å; G125-G127 VanDerWaalsContact O-N 3.09Å; G127-R129 PolarHBondContact O-N 2.95Å |
| 128 | N | 30.1 | Very low | 31.7 | Very low | 166 Ų | 166 | 150.1 Ų | 150.1 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -59.2 | 100.8 | 174.8 | -83.5 | 8.3 | 0 | 0 | 0 | 110.9 | | |
| 129 | R | 31.4 | Very low | 31.6 | Very low | 207 Ų | 207 | 146.5 Ų | 146.5 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | | | trans | -140.9 | 143 | 169.6 | -78.8 | -167.7 | -79 | -149.6 | -3.5 | 111 | G127 | G127-R129 PolarHBondContact O-N 2.95Š|
| 130 | F | 33.6 | Very low | 31.6 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | 69 | 86.9 | 173.8 | -56.2 | -66.2 | 0 | 0 | 0 | 117.8 | | |
| 131 | H | 33.3 | Very low | 32 | Very low | 193 Ų | 193 | 144.6 Ų | 144.6 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | | | | 7.2 | 120.3 | 127.6 | -50.6 | -79.2 | 0 | 0 | 0 | 117.1 | | |
| 132 | G | 30.5 | Very low | 32.2 | Very low | 76 Ų | 76 | 143.1 Ų | 143.1 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | -159.1 | 60.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 133 | Y | 31.5 | Very low | 32.7 | Very low | 232 Ų | 232 | 140.3 Ų | 140.3 | 91% | 0.91 | 77% | 0.766 | S | S | * | * | | | trans | -111.5 | 106.9 | 179.3 | -121.4 | -89.4 | 0 | 0 | 0 | 109.9 | P135 | Y133-P135 WeakPolarHBondContact O-CD 3.24Š|
| 134 | D | 34.5 | Very low | 32.6 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | trans | -80.8 | 116.9 | 178.9 | 179.2 | 5.7 | 0 | 0 | 0 | 110.6 | N136 | D134-N136 PolarHBondContact O-N 3.42Å; D134-N136 PolarHBondContact OD1-ND2 2.82Å |
| 135 | P | 37 | Very low | 33 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 39.5 | -171.3 | 36.4 | -37.7 | 0 | 0 | 0 | 114.1 | Y133 | Y133-P135 WeakPolarHBondContact O-CD 3.24Š|
| 136 | N | 31.8 | Very low | 33.4 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | -1.5 | -172 | -78.7 | -68.4 | 0 | 0 | 0 | 116.9 | D134 A138 | D134-N136 PolarHBondContact O-N 3.42Å; D134-N136 PolarHBondContact OD1-ND2 2.82Å; N136-A138 PolarHBondContact O-N 2.95Å; N136-A138 VanDerWaalsContact O-N 3.08Å |
| 137 | Q | 32.8 | Very low | 33.6 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 94% | 0.944 | 78% | 0.782 | S | S | * | * | | | trans | -80.8 | 92.4 | 173.4 | -70.8 | -141 | 40.1 | 0 | 0 | 112.5 | | |
| 138 | A | 30.5 | Very low | 34.1 | Very low | 88 Ų | 88 | 156.7 Ų | 156.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -72.4 | 176.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N136 | N136-A138 PolarHBondContact O-N 2.95Å; N136-A138 VanDerWaalsContact O-N 3.08Å |
| 139 | A | 35.2 | Very low | 34.7 | Very low | 92 Ų | 92 | 153.3 Ų | 153.3 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | 70.2 | 48.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 140 | V | 34.1 | Very low | 35.2 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -112.6 | 94.8 | 147 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | N142 | V140-N142 PolarHBondContact O-N 2.96Š|
| 141 | P | 34.6 | Very low | 36 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | trans | -70 | 94 | 179.4 | -19.2 | 33.4 | 0 | 0 | 0 | 111.5 | K143 | P141-K143 WeakPolarHBondContact O-CG 3.32Å; P141-K143 PolarHBondContact O-N 3.19Å |
| 142 | N | 36.5 | Very low | 36.4 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | | | trans | -77.3 | 87.2 | -176.9 | -167.6 | -14.1 | 0 | 0 | 0 | 111.5 | V140 F144 | V140-N142 PolarHBondContact O-N 2.96Å; N142-F144 PolarHBondContact O-N 2.7Å |
| 143 | K | 35.5 | Very low | 36.9 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 14.7 | -168.3 | -65.7 | -169.2 | 178.3 | -176.1 | 0 | 116.8 | P141 | P141-K143 WeakPolarHBondContact O-CG 3.32Å; P141-K143 PolarHBondContact O-N 3.19Å |
| 144 | F | 35.1 | Very low | 37.5 | Very low | 187 Ų | 187 | 138.1 Ų | 138.1 | 82% | 0.82 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.6 | 22.4 | -178.2 | -66.9 | -73.2 | 0 | 0 | 0 | 114.4 | N142 N146 | N142-F144 PolarHBondContact O-N 2.7Å; F144-N146 PolarHBondContact O-N 2.81Å |
| 145 | K | 36.7 | Very low | 38.1 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -72.4 | 119.3 | 163.7 | -74.7 | -168.8 | 175.5 | -176.5 | 0 | 109.8 | | |
| 146 | N | 36.6 | Very low | 39 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | trans | -41.2 | 134.6 | -177.6 | -57.9 | -79.1 | 0 | 0 | 0 | 114.1 | F144 K148 | F144-N146 PolarHBondContact O-N 2.81Å; N146-K148 PolarHBondContact O-N 3.36Å |
| 147 | Y | 35.9 | Very low | 39.8 | Very low | 242 Ų | 242 | 135.1 Ų | 135.1 | 95% | 0.949 | 72% | 0.715 | S | S | * | * | | | trans | -69.7 | 70.5 | 162.8 | -69.8 | -86 | 0 | 0 | 0 | 110.6 | L149 | Y147-L149 PolarHBondContact O-N 2.66Š|
| 148 | K | 38.8 | Very low | 41 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 84% | 0.839 | 70% | 0.698 | S | S | * | * | | | trans | -67.3 | 109.4 | 149.7 | -81.7 | -167 | 172.3 | -171.7 | 0 | 105.8 | N146 D150 | N146-K148 PolarHBondContact O-N 3.36Å; K148-D150 PolarHBondContact O-N 3.37Å |
| 149 | L | 43 | Very low | 42.8 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 50% | 0.503 | 70% | 0.698 | S | S | . | * | | | trans | -63.8 | 104.6 | 170.3 | -170.5 | 79.8 | 0 | 0 | 0 | 107 | Y147 V151 | Y147-L149 PolarHBondContact O-N 2.66Å; L149-V151 PolarHBondContact O-N 3.07Å |
| 150 | D | 41.7 | Very low | 44.8 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 52% | 0.519 | 68% | 0.681 | S | S | . | * | | | trans | -75 | 101.4 | 179.1 | -158.4 | -28.7 | 0 | 0 | 0 | 108.8 | K148 N152 N153 | K148-D150 PolarHBondContact O-N 3.37Å; D150-N152 PolarHBondContact O-N 3.15Å; D150-N152 VanDerWaalsContact O-N 3.07Å; D150-N152 PolarHBondContact OD1-N 3.05Å; D150-N152 PolarHBondContact OD1-ND2 3.24Å; D150-N153 PolarHBondContact O-N 3.16Å |
| 151 | V | 50.5 | Low | 46.8 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 74% | 0.739 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -16 | -171.7 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | L149 N153 | L149-V151 PolarHBondContact O-N 3.07Å; V151-N153 VanDerWaalsContact C-N 3.31Å; V151-N153 PolarHBondContact O-N 3.24Å |
| 152 | N | 42.2 | Very low | 49 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -8.6 | -178.4 | -56.9 | -63.1 | 0 | 0 | 0 | 114.4 | D150 A154 | D150-N152 PolarHBondContact O-N 3.15Å; D150-N152 VanDerWaalsContact O-N 3.07Å; D150-N152 PolarHBondContact OD1-N 3.05Å; D150-N152 PolarHBondContact OD1-ND2 3.24Å; N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 3.03Å |
| 153 | N | 40.8 | Very low | 51 | Low | 105 Ų | 105 | 132.7 Ų | 132.7 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | | | trans | -77.8 | 79 | 173.6 | -98.2 | -45.9 | 0 | 0 | 0 | 111.4 | D150 V151 N155 Q156 | D150-N153 PolarHBondContact O-N 3.16Å; V151-N153 VanDerWaalsContact C-N 3.31Å; V151-N153 PolarHBondContact O-N 3.24Å; N153-N155 PolarHBondContact O-N 2.95Å; N153-Q156 PolarHBondContact O-N 2.91Å |
| 154 | A | 43.6 | Very low | 53.1 | Low | 98 Ų | 98 | 126.8 Ų | 126.8 | 81% | 0.81 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -8.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | N152 | N152-A154 VanDerWaalsContact C-N 3.3Å; N152-A154 PolarHBondContact O-N 3.03Å |
| 155 | N | 46.3 | Very low | 55.3 | Low | 157 Ų | 157 | 124.3 Ų | 124.3 | 84% | 0.84 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | 27.1 | 175.6 | -66.7 | -22.3 | 0 | 0 | 0 | 113.1 | N153 N157 | N153-N155 PolarHBondContact O-N 2.95Å; N155-N157 PolarHBondContact O-N 3.28Å; N155-N157 VanDerWaalsContact O-N 3.16Å |
| 156 | Q | 55.8 | Low | 57.6 | Low | 58 Ų | 58 | 121 Ų | 121 | 27% | 0.271 | 62% | 0.621 | S | S | . | * | | | trans | -65 | 113.6 | 169.3 | -81.5 | -173 | 39.2 | 0 | 0 | 109.6 | N153 M158 L163 | N153-Q156 PolarHBondContact O-N 2.91Å; Q156-M158 PolarHBondContact O-N 3.4Å; Q156-M158 VanDerWaalsContact O-N 3.08Å; Q156-L163 HydrophobicContact CB-CD2 3.9Å; Q156-L163 HydrophobicContact CG-CD2 4.08Å |
| 157 | N | 50 | Low | 59.8 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | | | trans | -65.8 | 112.2 | -177 | -173 | 1.6 | 0 | 0 | 0 | 110.9 | N155 D159 N160 | N155-N157 PolarHBondContact O-N 3.28Å; N155-N157 VanDerWaalsContact O-N 3.16Å; N157-D159 PolarHBondContact ND2-OD2 3.46Å; N157-D159 PolarHBondContact O-N 3.07Å; N157-D159 VanDerWaalsContact OD1-CB 3.32Å; N157-D159 WeakPolarHBondContact OD1-CB 3.39Å; N157-D159 PolarHBondContact OD1-N 3.07Å; N157-D159 PolarHBondContact OD1-OD2 2.93Å; N157-N160 PolarHBondContact O-N 3.02Å |
| 158 | M | 57.1 | Low | 62 | Low | 118 Ų | 118 | 115.4 Ų | 115.4 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -14.3 | -179.7 | -60.1 | -66.1 | -86.3 | 0 | 0 | 113.1 | Q156 N160 L164 | Q156-M158 PolarHBondContact O-N 3.4Å; Q156-M158 VanDerWaalsContact O-N 3.08Å; M158-N160 PolarHBondContact O-N 3.23Å; M158-L164 HydrophobicContact CE-CD1 3.69Å |
| 159 | D | 69.7 | Low | 64.1 | Low | 136 Ų | 136 | 108.5 Ų | 108.5 | 73% | 0.727 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -20.1 | 171.6 | -52.6 | -27.2 | 0 | 0 | 0 | 112.2 | N157 E161 | N157-D159 PolarHBondContact ND2-OD2 3.46Å; N157-D159 PolarHBondContact O-N 3.07Å; N157-D159 VanDerWaalsContact OD1-CB 3.32Å; N157-D159 WeakPolarHBondContact OD1-CB 3.39Å; N157-D159 PolarHBondContact OD1-N 3.07Å; N157-D159 PolarHBondContact OD1-OD2 2.93Å; D159-E161 PolarHBondContact O-N 2.89Å |
| 160 | N | 76.3 | Confident | 66.1 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 40% | 0.401 | 56% | 0.559 | S | S | . | * | | | trans | -83.2 | 93.7 | 176 | -174.8 | -3.4 | 0 | 0 | 0 | 110.8 | N157 M158 Q162 L163 L164 | N157-N160 PolarHBondContact O-N 3.02Å; M158-N160 PolarHBondContact O-N 3.23Å; N160-Q162 PolarHBondContact O-N 3.15Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.43Å; N160-Q162 PolarHBondContact OD1-N 3.24Å; N160-Q162 VanDerWaalsContact OD1-N 3.13Å; N160-L163 HydrophobicContact CB-CB 4.07Å; N160-L163 WeakPolarHBondContact O-CA 3.42Å; N160-L163 WeakPolarHBondContact O-CB 3.5Å; N160-L163 PolarHBondContact O-N 2.71Å; N160-L164 PolarHBondContact O-N 3.14Å |
| 161 | E | 76.2 | Confident | 68 | Low | 163 Ų | 163 | 107.4 Ų | 107.4 | 76% | 0.762 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -49.3 | -33 | 176.7 | -61.6 | -174.6 | 158.7 | 0 | 0 | 113.8 | D159 L164 M165 | D159-E161 PolarHBondContact O-N 2.89Å; E161-L164 PolarHBondContact O-N 2.98Å; E161-M165 VanDerWaalsContact O-CB 3.26Å; E161-M165 WeakPolarHBondContact O-CB 3.45Å; E161-M165 PolarHBondContact O-N 2.95Å |
| 162 | Q | 79.9 | Confident | 69.6 | Low | 150 Ų | 150 | 108.9 Ų | 108.9 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.7 | -37 | 178.4 | -56.7 | -175.1 | 0.6 | 0 | 0 | 112 | N160 L166 | N160-Q162 PolarHBondContact O-N 3.15Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.43Å; N160-Q162 PolarHBondContact OD1-N 3.24Å; N160-Q162 VanDerWaalsContact OD1-N 3.13Å; Q162-L166 WeakPolarHBondContact O-CB 3.44Å; Q162-L166 PolarHBondContact O-N 2.7Å |
| 163 | L | 78.5 | Confident | 71.4 | Confident | 46 Ų | 46 | 107.7 Ų | 107.7 | 24% | 0.241 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -73.4 | -39.8 | 177.3 | -170.9 | 60.6 | 0 | 0 | 0 | 110.6 | Q156 N160 L166 Y167 | Q156-L163 HydrophobicContact CB-CD2 3.9Å; Q156-L163 HydrophobicContact CG-CD2 4.08Å; N160-L163 HydrophobicContact CB-CB 4.07Å; N160-L163 WeakPolarHBondContact O-CA 3.42Å; N160-L163 WeakPolarHBondContact O-CB 3.5Å; N160-L163 PolarHBondContact O-N 2.71Å; L163-L166 PolarHBondContact O-N 2.85Å; L163-Y167 WeakPolarHBondContact O-CB 3.26Å; L163-Y167 PolarHBondContact O-N 2.99Å |
| 164 | L | 80.5 | Confident | 73 | Confident | 57 Ų | 57 | 107.3 Ų | 107.3 | 30% | 0.298 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.2 | -175.3 | 60.4 | 0 | 0 | 0 | 111.9 | M158 N160 E161 Y167 Y168 | M158-L164 HydrophobicContact CE-CD1 3.69Å; N160-L164 PolarHBondContact O-N 3.14Å; E161-L164 PolarHBondContact O-N 2.98Å; L164-Y167 PolarHBondContact O-N 3.02Å; L164-Y168 HydrophobicContact CD1-CD2 4.06Å; L164-Y168 HydrophobicContact CD1-CE2 4.17Å; L164-Y168 HydrophobicContact CG-CD2 4.23Å; L164-Y168 WeakPolarHBondContact O-CB 3.49Å; L164-Y168 PolarHBondContact O-N 3.02Å |
| 165 | M | 81.5 | Confident | 74.5 | Confident | 135 Ų | 135 | 109.7 Ų | 109.7 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 174.6 | -171.3 | 64.4 | 65.3 | 0 | 0 | 111.9 | E161 Y168 S169 | E161-M165 VanDerWaalsContact O-CB 3.26Å; E161-M165 WeakPolarHBondContact O-CB 3.45Å; E161-M165 PolarHBondContact O-N 2.95Å; M165-Y168 PolarHBondContact O-N 3.24Å; M165-S169 WeakPolarHBondContact O-CB 3.39Å; M165-S169 PolarHBondContact O-N 3.26Å |
| 166 | L | 84.5 | Confident | 75.6 | Confident | 113 Ų | 113 | 108.7 Ų | 108.7 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 172.8 | -93.5 | 159 | 0 | 0 | 0 | 111.5 | Q162 L163 S169 H170 | Q162-L166 WeakPolarHBondContact O-CB 3.44Å; Q162-L166 PolarHBondContact O-N 2.7Å; L163-L166 PolarHBondContact O-N 2.85Å; L166-S169 PolarHBondContact O-N 3.2Å; L166-S169 PolarHBondContact O-OG 2.95Å; L166-H170 PolarHBondContact O-N 2.99Å |
| 167 | Y | 83.3 | Confident | 76.3 | Confident | 112 Ų | 112 | 115.5 Ų | 115.5 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.9 | 179.6 | -101.1 | 0 | 0 | 0 | 112.1 | L163 L164 S169 H170 M171 | L163-Y167 WeakPolarHBondContact O-CB 3.26Å; L163-Y167 PolarHBondContact O-N 2.99Å; L164-Y167 PolarHBondContact O-N 3.02Å; Y167-S169 VanDerWaalsContact C-N 3.34Å; Y167-S169 PolarHBondContact O-N 3.34Å; Y167-H170 PolarHBondContact O-N 3.13Å; Y167-M171 HydrophobicContact CD1-CG 4.22Å; Y167-M171 HydrophobicContact CE1-CG 3.78Å; Y167-M171 HydrophobicContact CE2-CG 4.12Å; Y167-M171 HydrophobicContact CE2-SD 4.44Å; Y167-M171 WeakPolarHBondContact O-CB 3.5Å; Y167-M171 WeakPolarHBondContact O-CG 3.32Å; Y167-M171 PolarHBondContact O-N 3.08Å |
| 168 | Y | 81.4 | Confident | 76.9 | Confident | 159 Ų | 159 | 115 Ų | 115 | 62% | 0.624 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.8 | -43.7 | 173.9 | -102.8 | -80.2 | 0 | 0 | 0 | 112.1 | L164 M165 H170 M171 Y172 | L164-Y168 HydrophobicContact CD1-CD2 4.06Å; L164-Y168 HydrophobicContact CD1-CE2 4.17Å; L164-Y168 HydrophobicContact CG-CD2 4.23Å; L164-Y168 WeakPolarHBondContact O-CB 3.49Å; L164-Y168 PolarHBondContact O-N 3.02Å; M165-Y168 PolarHBondContact O-N 3.24Å; Y168-H170 VanDerWaalsContact C-N 3.31Å; Y168-H170 PolarHBondContact O-N 3.04Å; Y168-M171 PolarHBondContact O-N 2.9Å; Y168-Y172 VanDerWaalsContact O-CB 3.32Å; Y168-Y172 WeakPolarHBondContact O-CB 3.38Å; Y168-Y172 PolarHBondContact O-N 3.31Å |
| 169 | S | 82.8 | Confident | 76.9 | Confident | 49 Ų | 49 | 115.8 Ų | 115.8 | 34% | 0.343 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -36.8 | 177.4 | 80.7 | 0 | 0 | 0 | 0 | 112.3 | M165 L166 Y167 Q173 | M165-S169 WeakPolarHBondContact O-CB 3.39Å; M165-S169 PolarHBondContact O-N 3.26Å; L166-S169 PolarHBondContact O-N 3.2Å; L166-S169 PolarHBondContact O-OG 2.95Å; Y167-S169 VanDerWaalsContact C-N 3.34Å; Y167-S169 PolarHBondContact O-N 3.34Å; S169-Q173 WeakPolarHBondContact O-CB 3.48Å; S169-Q173 VanDerWaalsContact O-CG 3.28Å; S169-Q173 WeakPolarHBondContact O-CG 3.29Å; S169-Q173 PolarHBondContact O-N 2.89Å |
| 170 | H | 85.2 | Confident | 76.1 | Confident | 83 Ų | 83 | 113.1 Ų | 113.1 | 38% | 0.384 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.2 | -47.7 | 177 | -172.2 | 66.1 | 0 | 0 | 0 | 111.7 | L166 Y167 Y168 Y172 Q173 Q174 | L166-H170 PolarHBondContact O-N 2.99Å; Y167-H170 PolarHBondContact O-N 3.13Å; Y168-H170 VanDerWaalsContact C-N 3.31Å; Y168-H170 PolarHBondContact O-N 3.04Å; H170-Y172 VanDerWaalsContact C-N 3.28Å; H170-Y172 PolarHBondContact O-N 3.09Å; H170-Q173 PolarHBondContact O-N 3.12Å; H170-Q174 PolarHBondContact NE2-NE2 3.06Å; H170-Q174 PolarHBondContact O-N 3.02Å |
| 171 | M | 82.6 | Confident | 74.9 | Confident | 86 Ų | 86 | 112 Ų | 112 | 42% | 0.424 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -56.7 | -42.2 | 174.4 | -75.8 | -65.4 | -68 | 0 | 0 | 111.6 | Y167 Y168 Q174 Y175 | Y167-M171 HydrophobicContact CD1-CG 4.22Å; Y167-M171 HydrophobicContact CE1-CG 3.78Å; Y167-M171 HydrophobicContact CE2-CG 4.12Å; Y167-M171 HydrophobicContact CE2-SD 4.44Å; Y167-M171 WeakPolarHBondContact O-CB 3.5Å; Y167-M171 WeakPolarHBondContact O-CG 3.32Å; Y167-M171 PolarHBondContact O-N 3.08Å; Y168-M171 PolarHBondContact O-N 2.9Å; M171-Q174 PolarHBondContact O-N 3.32Å; M171-Y175 WeakPolarHBondContact O-CB 3.28Å; M171-Y175 PolarHBondContact O-N 2.86Å |
| 172 | Y | 84.1 | Confident | 73.9 | Confident | 153 Ų | 153 | 107.8 Ų | 107.8 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.5 | -41.6 | 177.8 | -157.4 | -97.1 | 0 | 0 | 0 | 112.2 | Y168 H170 Y175 Y176 | Y168-Y172 VanDerWaalsContact O-CB 3.32Å; Y168-Y172 WeakPolarHBondContact O-CB 3.38Å; Y168-Y172 PolarHBondContact O-N 3.31Å; H170-Y172 VanDerWaalsContact C-N 3.28Å; H170-Y172 PolarHBondContact O-N 3.09Å; Y172-Y175 PolarHBondContact O-N 3.32Å; Y172-Y176 HydrophobicContact CD1-CD2 4.01Å; Y172-Y176 HydrophobicContact CD1-CE2 4.1Å; Y172-Y176 AromaticContact CE1-CD2 3.8Å; Y172-Y176 HydrophobicContact CE1-CD2 3.8Å; Y172-Y176 AromaticContact CE1-CE2 3.42Å; Y172-Y176 HydrophobicContact CE1-CE2 3.42Å; Y172-Y176 VanDerWaalsContact CE1-CE2 3.42Å; Y172-Y176 HydrophobicContact CE2-CE2 4.44Å; Y172-Y176 AromaticContact CZ-CE2 3.63Å; Y172-Y176 PolarHBondContact O-N 3.01Å |
| 173 | Q | 79.2 | Confident | 72.2 | Confident | 119 Ų | 119 | 103.2 Ų | 103.2 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.4 | -39 | 174.3 | -74.2 | 177 | 26.6 | 0 | 0 | 112.9 | S169 H170 R177 | S169-Q173 WeakPolarHBondContact O-CB 3.48Å; S169-Q173 VanDerWaalsContact O-CG 3.28Å; S169-Q173 WeakPolarHBondContact O-CG 3.29Å; S169-Q173 PolarHBondContact O-N 2.89Å; H170-Q173 PolarHBondContact O-N 3.12Å; Q173-R177 WeakPolarHBondContact O-CG 3.43Å; Q173-R177 PolarHBondContact O-N 2.96Å; Q173-R177 VanDerWaalsContact O-N 3.1Å |
| 174 | Q | 74.4 | Confident | 70.8 | Confident | 96 Ų | 96 | 106.4 Ų | 106.4 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 173.3 | -76.5 | -166.9 | -40.6 | 0 | 0 | 110.8 | H170 M171 Y176 R177 T178 | H170-Q174 PolarHBondContact NE2-NE2 3.06Å; H170-Q174 PolarHBondContact O-N 3.02Å; M171-Q174 PolarHBondContact O-N 3.32Å; Q174-Y176 VanDerWaalsContact C-N 3.33Å; Q174-Y176 PolarHBondContact O-N 3.43Å; Q174-R177 PolarHBondContact O-N 3.41Å; Q174-R177 VanDerWaalsContact O-N 3.09Å; Q174-T178 PolarHBondContact O-N 3.04Å; Q174-T178 PolarHBondContact O-OG1 3.42Å; Q174-T178 VanDerWaalsContact O-OG1 3.09Å |
| 175 | Y | 75.8 | Confident | 69.3 | Low | 149 Ų | 149 | 107.4 Ų | 107.4 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.2 | -45.2 | 179.6 | -164.1 | -91.4 | 0 | 0 | 0 | 111.6 | M171 Y172 T178 Y179 | M171-Y175 WeakPolarHBondContact O-CB 3.28Å; M171-Y175 PolarHBondContact O-N 2.86Å; Y172-Y175 PolarHBondContact O-N 3.32Å; Y175-T178 WeakPolarHBondContact CA-OG1 3.39Å; Y175-T178 PolarHBondContact O-N 3.37Å; Y175-T178 PolarHBondContact O-OG1 2.95Å; Y175-Y179 HydrophobicContact CD1-CD2 4.36Å; Y175-Y179 AromaticContact CE1-CD2 3.55Å; Y175-Y179 HydrophobicContact CE1-CD2 3.55Å; Y175-Y179 HydrophobicContact CE1-CE2 4.11Å; Y175-Y179 HydrophobicContact CE1-CG 4.37Å; Y175-Y179 AromaticContact CZ-CD2 3.87Å; Y175-Y179 VanDerWaalsContact O-CB 3.29Å; Y175-Y179 WeakPolarHBondContact O-CB 3.4Å; Y175-Y179 PolarHBondContact O-N 3.06Å |
| 176 | Y | 69.8 | Low | 67.6 | Low | 135 Ų | 135 | 107.6 Ų | 107.6 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 174.9 | -96.1 | -93.5 | 0 | 0 | 0 | 112.9 | Y172 Q174 T178 Y179 T180 | Y172-Y176 HydrophobicContact CD1-CD2 4.01Å; Y172-Y176 HydrophobicContact CD1-CE2 4.1Å; Y172-Y176 AromaticContact CE1-CD2 3.8Å; Y172-Y176 HydrophobicContact CE1-CD2 3.8Å; Y172-Y176 AromaticContact CE1-CE2 3.42Å; Y172-Y176 HydrophobicContact CE1-CE2 3.42Å; Y172-Y176 VanDerWaalsContact CE1-CE2 3.42Å; Y172-Y176 HydrophobicContact CE2-CE2 4.44Å; Y172-Y176 AromaticContact CZ-CE2 3.63Å; Y172-Y176 PolarHBondContact O-N 3.01Å; Q174-Y176 VanDerWaalsContact C-N 3.33Å; Q174-Y176 PolarHBondContact O-N 3.43Å; Y176-T178 PolarHBondContact O-N 2.93Å; Y176-Y179 PolarHBondContact O-N 3.48Å; Y176-T180 PolarHBondContact O-N 3.02Å; Y176-T180 PolarHBondContact O-OG1 3.43Å |
| 177 | R | 69.5 | Low | 65.4 | Low | 201 Ų | 201 | 105.9 Ų | 105.9 | 76% | 0.758 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | 175.6 | -76.1 | 178.9 | 178.5 | -108.6 | 1 | 112 | Q173 Q174 A181 | Q173-R177 WeakPolarHBondContact O-CG 3.43Å; Q173-R177 PolarHBondContact O-N 2.96Å; Q173-R177 VanDerWaalsContact O-N 3.1Å; Q174-R177 PolarHBondContact O-N 3.41Å; Q174-R177 VanDerWaalsContact O-N 3.09Å; R177-A181 WeakPolarHBondContact O-CB 3.46Å; R177-A181 PolarHBondContact O-N 3.22Å; R177-A181 VanDerWaalsContact O-N 3.11Å |
| 178 | T | 63.3 | Low | 63.2 | Low | 79 Ų | 79 | 106.8 Ų | 106.8 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 176.6 | 47.5 | 0 | 0 | 0 | 0 | 112.2 | Q174 Y175 Y176 T180 A181 T182 | Q174-T178 PolarHBondContact O-N 3.04Å; Q174-T178 PolarHBondContact O-OG1 3.42Å; Q174-T178 VanDerWaalsContact O-OG1 3.09Å; Y175-T178 WeakPolarHBondContact CA-OG1 3.39Å; Y175-T178 PolarHBondContact O-N 3.37Å; Y175-T178 PolarHBondContact O-OG1 2.95Å; Y176-T178 PolarHBondContact O-N 2.93Å; T178-T180 PolarHBondContact O-N 2.89Å; T178-A181 PolarHBondContact O-N 2.87Å; T178-T182 PolarHBondContact O-N 3.04Å; T178-T182 PolarHBondContact O-OG1 3.4Å; T178-T182 VanDerWaalsContact O-OG1 3.07Å |
| 179 | Y | 55.6 | Low | 60.8 | Low | 135 Ų | 135 | 108.6 Ų | 108.6 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | -176.8 | -148.2 | -83.8 | 0 | 0 | 0 | 111.7 | Y175 Y176 T182 A183 | Y175-Y179 HydrophobicContact CD1-CD2 4.36Å; Y175-Y179 AromaticContact CE1-CD2 3.55Å; Y175-Y179 HydrophobicContact CE1-CD2 3.55Å; Y175-Y179 HydrophobicContact CE1-CE2 4.11Å; Y175-Y179 HydrophobicContact CE1-CG 4.37Å; Y175-Y179 AromaticContact CZ-CD2 3.87Å; Y175-Y179 VanDerWaalsContact O-CB 3.29Å; Y175-Y179 WeakPolarHBondContact O-CB 3.4Å; Y175-Y179 PolarHBondContact O-N 3.06Å; Y176-Y179 PolarHBondContact O-N 3.48Å; Y179-T182 WeakPolarHBondContact CA-OG1 3.44Å; Y179-T182 PolarHBondContact O-OG1 2.86Å; Y179-T182 VanDerWaalsContact O-OG1 3.11Å; Y179-A183 VanDerWaalsContact O-CB 3.25Å; Y179-A183 WeakPolarHBondContact O-CB 3.25Å; Y179-A183 PolarHBondContact O-N 3.28Å |
| 180 | T | 54.9 | Low | 58.8 | Low | 81 Ų | 81 | 110.9 Ų | 110.9 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.6 | -41.3 | 172.6 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | Y176 T178 L184 | Y176-T180 PolarHBondContact O-N 3.02Å; Y176-T180 PolarHBondContact O-OG1 3.43Å; T178-T180 PolarHBondContact O-N 2.89Å; T180-L184 HydrophobicContact CG2-CD1 4.28Å; T180-L184 WeakPolarHBondContact O-CG 3.44Å; T180-L184 PolarHBondContact O-N 3.14Å |
| 181 | A | 50 | Low | 56.4 | Low | 52 Ų | 52 | 113.2 Ų | 113.2 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -50.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R177 T178 A183 L184 S185 | R177-A181 WeakPolarHBondContact O-CB 3.46Å; R177-A181 PolarHBondContact O-N 3.22Å; R177-A181 VanDerWaalsContact O-N 3.11Å; T178-A181 PolarHBondContact O-N 2.87Å; A181-A183 VanDerWaalsContact C-N 3.33Å; A181-A183 PolarHBondContact O-N 3.48Å; A181-L184 PolarHBondContact O-N 2.88Å; A181-S185 PolarHBondContact O-N 3.19Å; A181-S185 PolarHBondContact O-OG 3.42Å |
| 182 | T | 54.4 | Low | 54.3 | Low | 73 Ų | 73 | 112.7 Ų | 112.7 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.2 | -35.2 | 179.5 | 51 | 0 | 0 | 0 | 0 | 112.9 | T178 Y179 L184 S185 L186 | T178-T182 PolarHBondContact O-N 3.04Å; T178-T182 PolarHBondContact O-OG1 3.4Å; T178-T182 VanDerWaalsContact O-OG1 3.07Å; Y179-T182 WeakPolarHBondContact CA-OG1 3.44Å; Y179-T182 PolarHBondContact O-OG1 2.86Å; Y179-T182 VanDerWaalsContact O-OG1 3.11Å; T182-L184 VanDerWaalsContact C-N 3.29Å; T182-L184 PolarHBondContact O-N 3.37Å; T182-S185 PolarHBondContact O-N 2.93Å; T182-L186 WeakPolarHBondContact O-CB 3.35Å; T182-L186 VanDerWaalsContact O-CG 3.24Å; T182-L186 WeakPolarHBondContact O-CG 3.41Å; T182-L186 PolarHBondContact O-N 2.89Å |
| 183 | A | 45.6 | Very low | 52.2 | Low | 55 Ų | 55 | 112 Ų | 112 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.7 | -32.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y179 A181 | Y179-A183 VanDerWaalsContact O-CB 3.25Å; Y179-A183 WeakPolarHBondContact O-CB 3.25Å; Y179-A183 PolarHBondContact O-N 3.28Å; A181-A183 VanDerWaalsContact C-N 3.33Å; A181-A183 PolarHBondContact O-N 3.48Å |
| 184 | L | 49.6 | Very low | 50.2 | Low | 113 Ų | 113 | 112.5 Ų | 112.5 | 59% | 0.592 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -86.7 | -33.5 | 176.7 | -65.2 | 172.5 | 0 | 0 | 0 | 112.6 | T180 A181 T182 L186 S187 | T180-L184 HydrophobicContact CG2-CD1 4.28Å; T180-L184 WeakPolarHBondContact O-CG 3.44Å; T180-L184 PolarHBondContact O-N 3.14Å; A181-L184 PolarHBondContact O-N 2.88Å; T182-L184 VanDerWaalsContact C-N 3.29Å; T182-L184 PolarHBondContact O-N 3.37Å; L184-L186 PolarHBondContact O-N 3.42Å; L184-S187 PolarHBondContact O-N 2.9Å; L184-S187 PolarHBondContact O-OG 3.47Å |
| 185 | S | 48.1 | Very low | 48.5 | Very low | 77 Ų | 77 | 114.1 Ų | 114.1 | 54% | 0.538 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.9 | -30.1 | 171.4 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | A181 T182 | A181-S185 PolarHBondContact O-N 3.19Å; A181-S185 PolarHBondContact O-OG 3.42Å; T182-S185 PolarHBondContact O-N 2.93Å |
| 186 | L | 44.8 | Very low | 46.7 | Very low | 139 Ų | 139 | 111.3 Ų | 111.3 | 73% | 0.728 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -12.4 | 175 | -73.1 | 169.9 | 0 | 0 | 0 | 114.3 | T182 L184 | T182-L186 WeakPolarHBondContact O-CB 3.35Å; T182-L186 VanDerWaalsContact O-CG 3.24Å; T182-L186 WeakPolarHBondContact O-CG 3.41Å; T182-L186 PolarHBondContact O-N 2.89Å; L184-L186 PolarHBondContact O-N 3.42Å |
| 187 | S | 39.8 | Very low | 45.3 | Very low | 78 Ų | 78 | 107.6 Ų | 107.6 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.5 | 174.4 | 66.8 | 0 | 0 | 0 | 0 | 114.1 | L184 | L184-S187 PolarHBondContact O-N 2.9Å; L184-S187 PolarHBondContact O-OG 3.47Å |
| 188 | N | 35.9 | Very low | 43.9 | Very low | 130 Ų | 130 | 103 Ų | 103 | 70% | 0.695 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -111.7 | 26.4 | -174 | -77.1 | 14.8 | 0 | 0 | 0 | 114 | P190 | N188-P190 WeakPolarHBondContact O-CD 3.33Š|
| 189 | Y | 31.6 | Very low | 42.6 | Very low | 197 Ų | 197 | 102.2 Ų | 102.2 | 77% | 0.773 | 60% | 0.595 | S | S | * | * | | | trans | -100.9 | 91.6 | 163.6 | -88.8 | -84 | 0 | 0 | 0 | 110.5 | | |
| 190 | P | 40.1 | Very low | 41.7 | Very low | 98 Ų | 98 | 97.9 Ų | 97.9 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | | | trans | -64.5 | 157.1 | 156.3 | 31.2 | -33.9 | 0 | 0 | 0 | 109.6 | N188 | N188-P190 WeakPolarHBondContact O-CD 3.33Š|
| 191 | N | 34.9 | Very low | 40.8 | Very low | 131 Ų | 131 | 96.7 Ų | 96.7 | 70% | 0.701 | 59% | 0.586 | S | S | * | * | | | trans | 69.3 | 87.4 | 177.9 | -44.9 | -26.5 | 0 | 0 | 0 | 114.3 | D193 | N191-D193 PolarHBondContact O-N 2.74Š|
| 192 | A | 38.6 | Very low | 40 | Very low | 76 Ų | 76 | 97.9 Ų | 97.9 | 63% | 0.628 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -74.2 | -6.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | L194 L195 | A192-L194 PolarHBondContact O-N 3.24Å; A192-L194 VanDerWaalsContact O-N 3.07Å; A192-L195 PolarHBondContact O-N 3.45Å |
| 193 | D | 39.9 | Very low | 39.1 | Very low | 137 Ų | 137 | 98 Ų | 98 | 73% | 0.733 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -70.4 | -5.4 | -167.4 | -58 | -44.5 | 0 | 0 | 0 | 115.3 | N191 P196 | N191-D193 PolarHBondContact O-N 2.74Å; D193-P196 WeakPolarHBondContact O-CD 3.3Å |
| 194 | L | 37.2 | Very low | 38.3 | Very low | 131 Ų | 131 | 101.2 Ų | 101.2 | 69% | 0.686 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -94.8 | -10.5 | 176.5 | -66.7 | 176.7 | 0 | 0 | 0 | 114.3 | A192 A197 V198 | A192-L194 PolarHBondContact O-N 3.24Å; A192-L194 VanDerWaalsContact O-N 3.07Å; L194-A197 WeakPolarHBondContact O-CB 3.44Å; L194-A197 PolarHBondContact O-N 3.31Å; L194-V198 PolarHBondContact O-N 3.02Å |
| 195 | L | 40.3 | Very low | 37.5 | Very low | 129 Ų | 129 | 102.5 Ų | 102.5 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.3 | -33.5 | 176 | -72.1 | 176.1 | 0 | 0 | 0 | 114.6 | A192 A197 A199 | A192-L195 PolarHBondContact O-N 3.45Å; L195-A197 VanDerWaalsContact C-N 3.26Å; L195-A197 PolarHBondContact O-N 3.48Å; L195-A199 PolarHBondContact O-N 2.93Å |
| 196 | P | 36.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 103.6 Ų | 103.6 | 58% | 0.584 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -59.3 | -35.2 | 170.1 | -25.1 | 35.4 | 0 | 0 | 0 | 113.1 | D193 A200 | D193-P196 WeakPolarHBondContact O-CD 3.3Å; P196-A200 VanDerWaalsContact O-CB 3.23Å; P196-A200 WeakPolarHBondContact O-CB 3.16Å; P196-A200 PolarHBondContact O-N 2.92Å |
| 197 | A | 39.7 | Very low | 35.7 | Very low | 57 Ų | 57 | 100.4 Ų | 100.4 | 47% | 0.471 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.9 | -43.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L194 L195 A200 A201 | L194-A197 WeakPolarHBondContact O-CB 3.44Å; L194-A197 PolarHBondContact O-N 3.31Å; L195-A197 VanDerWaalsContact C-N 3.26Å; L195-A197 PolarHBondContact O-N 3.48Å; A197-A200 PolarHBondContact O-N 3.36Å; A197-A201 WeakPolarHBondContact O-CB 3.34Å; A197-A201 PolarHBondContact O-N 2.87Å |
| 198 | V | 41.4 | Very low | 35.2 | Very low | 104 Ų | 104 | 103.6 Ų | 103.6 | 63% | 0.63 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.1 | -39.3 | 178.7 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | L194 A201 A202 | L194-V198 PolarHBondContact O-N 3.02Å; V198-A201 PolarHBondContact O-N 3.42Å; V198-A202 PolarHBondContact O-N 3.13Å |
| 199 | A | 35.4 | Very low | 35 | Very low | 64 Ų | 64 | 102.4 Ų | 102.4 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.1 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L195 A202 A203 | L195-A199 PolarHBondContact O-N 2.93Å; A199-A202 PolarHBondContact O-N 3Å; A199-A203 PolarHBondContact O-N 3.21Å; A199-A203 VanDerWaalsContact O-N 3.14Å |
| 200 | A | 36.5 | Very low | 35 | Very low | 44 Ų | 44 | 98.6 Ų | 98.6 | 36% | 0.364 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67.7 | -35.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P196 A197 A202 A203 N204 | P196-A200 VanDerWaalsContact O-CB 3.23Å; P196-A200 WeakPolarHBondContact O-CB 3.16Å; P196-A200 PolarHBondContact O-N 2.92Å; A197-A200 PolarHBondContact O-N 3.36Å; A200-A202 VanDerWaalsContact C-N 3.35Å; A200-A203 PolarHBondContact O-N 3.03Å; A200-N204 WeakPolarHBondContact O-CB 3.07Å; A200-N204 PolarHBondContact O-N 3.2Å; A200-N204 PolarHBondContact O-ND2 3.44Å |
| 201 | A | 36.3 | Very low | 34.5 | Very low | 56 Ų | 56 | 100.7 Ų | 100.7 | 46% | 0.463 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.3 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A197 V198 N205 | A197-A201 WeakPolarHBondContact O-CB 3.34Å; A197-A201 PolarHBondContact O-N 2.87Å; V198-A201 PolarHBondContact O-N 3.42Å; A201-N205 PolarHBondContact O-ND2 3.44Å |
| 202 | A | 33.8 | Very low | 34.3 | Very low | 76 Ų | 76 | 102.4 Ų | 102.4 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.7 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V198 A199 A200 | V198-A202 PolarHBondContact O-N 3.13Å; A199-A202 PolarHBondContact O-N 3Å; A200-A202 VanDerWaalsContact C-N 3.35Å |
| 203 | A | 33.8 | Very low | 33.9 | Very low | 77 Ų | 77 | 104.7 Ų | 104.7 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.8 | -27.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A199 A200 | A199-A203 PolarHBondContact O-N 3.21Å; A199-A203 VanDerWaalsContact O-N 3.14Å; A200-A203 PolarHBondContact O-N 3.03Å |
| 204 | N | 30.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 103.6 Ų | 103.6 | 65% | 0.647 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 1.5 | -176 | -75.8 | -58.7 | 0 | 0 | 0 | 114.8 | A200 S206 | A200-N204 WeakPolarHBondContact O-CB 3.07Å; A200-N204 PolarHBondContact O-N 3.2Å; A200-N204 PolarHBondContact O-ND2 3.44Å; N204-S206 PolarHBondContact O-N 3.09Å |
| 205 | N | 32.4 | Very low | 33.1 | Very low | 141 Ų | 141 | 105.3 Ų | 105.3 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | | | trans | -80.4 | 49.5 | 174.4 | -78.4 | -65.5 | 0 | 0 | 0 | 112.8 | A201 | A201-N205 PolarHBondContact O-ND2 3.44Š|
| 206 | S | 27.9 | Very low | 32.3 | Very low | 100 Ų | 100 | 101.6 Ų | 101.6 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | | | trans | -97.3 | 16.8 | 167.6 | 59 | 0 | 0 | 0 | 0 | 112.8 | N204 I208 | N204-S206 PolarHBondContact O-N 3.09Å; S206-I208 PolarHBondContact O-N 3.35Å |
| 207 | G | 26.9 | Very low | 31.8 | Very low | 72 Ų | 72 | 102.2 Ų | 102.2 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | | | trans | -75.2 | 64.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 208 | I | 29.2 | Very low | 31.2 | Very low | 145 Ų | 145 | 106.3 Ų | 106.3 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | | | trans | -67.8 | 128 | 169.5 | -64.1 | 174.7 | 0 | 0 | 0 | 108.1 | S206 | S206-I208 PolarHBondContact O-N 3.35Š|
| 209 | P | 31.2 | Very low | 30.5 | Very low | 105 Ų | 105 | 108.3 Ų | 108.3 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | | | trans | -67.9 | 135 | -179.6 | 27.3 | -34.4 | 0 | 0 | 0 | 111.7 | D211 | P209-D211 PolarHBondContact O-N 3.09Š|
| 210 | S | 32.5 | Very low | 30 | Very low | 116 Ų | 116 | 111.3 Ų | 111.3 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -78.3 | 49.6 | -171.7 | -55.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 211 | D | 28.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 114.7 Ų | 114.7 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | | | trans | -132.5 | 13.8 | -170.6 | -98.5 | -45.1 | 0 | 0 | 0 | 116 | P209 | P209-D211 PolarHBondContact O-N 3.09Š|
| 212 | L | 31.8 | Very low | 29 | Very low | 166 Ų | 166 | 115.4 Ų | 115.4 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -126.6 | 21.8 | 178.8 | -71.8 | 177.8 | 0 | 0 | 0 | 115.3 | | |
| 213 | T | 28.9 | Very low | 28.7 | Very low | 124 Ų | 124 | 119.2 Ų | 119.2 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | trans | -101.2 | -2.3 | 176.8 | 46.9 | 0 | 0 | 0 | 0 | 114.7 | I215 | T213-I215 VanDerWaalsContact C-N 3.33Å; T213-I215 PolarHBondContact O-N 2.88Å |
| 214 | S | 30.9 | Very low | 28.3 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -84.5 | 2 | -179.3 | -60.7 | 0 | 0 | 0 | 0 | 115.1 | G216 | S214-G216 WeakPolarHBondContact O-CA 3.24Š|
| 215 | I | 30.1 | Very low | 28.2 | Very low | 168 Ų | 168 | 124 Ų | 124 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | | | trans | -101.5 | 85.1 | 158.5 | -52.6 | 177.6 | 0 | 0 | 0 | 106.2 | T213 | T213-I215 VanDerWaalsContact C-N 3.33Å; T213-I215 PolarHBondContact O-N 2.88Å |
| 216 | G | 23.9 | Very low | 28 | Very low | 51 Ų | 51 | 124 Ų | 124 | 53% | 0.526 | 77% | 0.774 | S | S | . | * | | | cis | 104.5 | 67.6 | 19.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S214 V218 | S214-G216 WeakPolarHBondContact O-CA 3.24Å; G216-V218 PolarHBondContact O-N 2.83Å |
| 217 | S | 26.3 | Very low | 28 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | 31.2 | 74.7 | 160.7 | -60.7 | 0 | 0 | 0 | 0 | 118.7 | L219 | S217-L219 VanDerWaalsContact C-N 3.25Š|
| 218 | V | 27.1 | Very low | 28.6 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -99.5 | 52.6 | 141 | -165.8 | 0 | 0 | 0 | 0 | 108.5 | G216 | G216-V218 PolarHBondContact O-N 2.83Š|
| 219 | L | 27 | Very low | 28.9 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -89.8 | 129.2 | 179.5 | -72.2 | 174.7 | 0 | 0 | 0 | 110.4 | S217 | S217-L219 VanDerWaalsContact C-N 3.25Š|
| 220 | S | 25.3 | Very low | 29.1 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | 60.1 | 68.4 | 164.5 | -167.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 221 | S | 26.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -123.4 | 135.8 | 137.8 | 63.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 222 | G | 24.7 | Very low | 29.2 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | -88.2 | 132.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 223 | N | 27.5 | Very low | 29.4 | Very low | 155 Ų | 155 | 135 Ų | 135 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | -155.8 | 101.6 | 142.5 | -102.4 | -25 | 0 | 0 | 0 | 109.1 | F225 | N223-F225 VanDerWaalsContact C-N 3.3Å; N223-F225 PolarHBondContact O-N 3.17Å |
| 224 | S | 24.9 | Very low | 29.5 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -71.7 | 87.7 | 167.6 | 51.3 | 0 | 0 | 0 | 0 | 108.6 | D226 | S224-D226 PolarHBondContact O-N 3.1Å; S224-D226 VanDerWaalsContact O-N 3.17Å |
| 225 | F | 28.4 | Very low | 29.7 | Very low | 179 Ų | 179 | 136 Ų | 136 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -73.5 | 109.1 | 177.2 | -144.5 | -84.6 | 0 | 0 | 0 | 109.3 | N223 F227 | N223-F225 VanDerWaalsContact C-N 3.3Å; N223-F225 PolarHBondContact O-N 3.17Å; F225-F227 HydrophobicContact CD1-CD2 4.3Å; F225-F227 HydrophobicContact CD1-CE2 4.19Å; F225-F227 HydrophobicContact CE1-CE2 4.3Å; F225-F227 PolarHBondContact O-N 3.14Å |
| 226 | D | 28 | Very low | 29.9 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | trans | -76.4 | 113.6 | -166.1 | -147 | -25.1 | 0 | 0 | 0 | 111.2 | S224 | S224-D226 PolarHBondContact O-N 3.1Å; S224-D226 VanDerWaalsContact O-N 3.17Å |
| 227 | F | 28.3 | Very low | 30.4 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 76% | 0.763 | 76% | 0.755 | S | S | * | * | | | trans | -125.9 | 109 | 165.9 | -96.5 | -78.1 | 0 | 0 | 0 | 108.7 | F225 K229 | F225-F227 HydrophobicContact CD1-CD2 4.3Å; F225-F227 HydrophobicContact CD1-CE2 4.19Å; F225-F227 HydrophobicContact CE1-CE2 4.3Å; F225-F227 PolarHBondContact O-N 3.14Å; F227-K229 PolarHBondContact O-N 3.41Å |
| 228 | S | 39.1 | Very low | 30.7 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | | | trans | -63.5 | 95.5 | -169.3 | -163.8 | 0 | 0 | 0 | 0 | 112.2 | H230 | S228-H230 PolarHBondContact O-N 3.16Å; S228-H230 PolarHBondContact OG-CE1 2.78Å; S228-H230 VanDerWaalsContact OG-CE1 3.31Å; S228-H230 PolarHBondContact OG-ND1 3.33Å |
| 229 | K | 35.4 | Very low | 31.1 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | | | trans | -70.5 | 99.8 | 169 | -71.7 | -176.1 | 179 | 178.8 | 0 | 108.6 | F227 S231 | F227-K229 PolarHBondContact O-N 3.41Å; K229-S231 PolarHBondContact O-N 3.47Å |
| 230 | H | 35.7 | Very low | 31.5 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | | | trans | -71.4 | 69.4 | 173.5 | -63.8 | -19.9 | 0 | 0 | 0 | 111.7 | S228 R232 | S228-H230 PolarHBondContact O-N 3.16Å; S228-H230 PolarHBondContact OG-CE1 2.78Å; S228-H230 VanDerWaalsContact OG-CE1 3.31Å; S228-H230 PolarHBondContact OG-ND1 3.33Å; H230-R232 PolarHBondContact O-N 3.4Å; H230-R232 VanDerWaalsContact O-N 3.14Å |
| 231 | S | 33.2 | Very low | 32 | Very low | 94 Ų | 94 | 133.8 Ų | 133.8 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | | | trans | -65.1 | 105.7 | 170.5 | 51.2 | 0 | 0 | 0 | 0 | 110 | K229 D233 | K229-S231 PolarHBondContact O-N 3.47Å; S231-D233 PolarHBondContact O-N 3.22Å; S231-D233 VanDerWaalsContact O-N 3.16Å |
| 232 | R | 31.4 | Very low | 32.6 | Very low | 229 Ų | 229 | 136.6 Ų | 136.6 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | | | trans | -86.8 | 48.5 | 176.1 | -61.6 | -171.5 | -167.9 | 157.9 | 3.8 | 112.1 | H230 V234 | H230-R232 PolarHBondContact O-N 3.4Å; H230-R232 VanDerWaalsContact O-N 3.14Å; R232-V234 PolarHBondContact O-N 3.07Å |
| 233 | D | 34.3 | Very low | 33 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 78% | 0.781 | 71% | 0.708 | S | S | * | * | | | trans | -87.8 | 106.7 | 173.3 | -67.3 | -65.9 | 0 | 0 | 0 | 109 | S231 D235 | S231-D233 PolarHBondContact O-N 3.22Å; S231-D233 VanDerWaalsContact O-N 3.16Å; D233-D235 PolarHBondContact O-N 2.83Å |
| 234 | V | 31.5 | Very low | 33.3 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | | | trans | -88.5 | 101.8 | -174.8 | 179 | 0 | 0 | 0 | 0 | 109.6 | R232 I236 | R232-V234 PolarHBondContact O-N 3.07Å; V234-I236 WeakPolarHBondContact O-CG1 3.15Å |
| 235 | D | 34.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 72% | 0.717 | 69% | 0.691 | S | S | * | * | | | trans | -80.4 | 148.5 | -178.2 | -154.8 | -18.2 | 0 | 0 | 0 | 113.1 | D233 | D233-D235 PolarHBondContact O-N 2.83Š|
| 236 | I | 35.6 | Very low | 33.7 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 64% | 0.641 | 69% | 0.685 | S | S | * | * | | | trans | -135.4 | 70.2 | -161.5 | -42.8 | -177.5 | 0 | 0 | 0 | 114.7 | R38 V234 | R38-I236 WeakPolarHBondContact CD-O 3.31Å; R38-I236 WeakPolarHBondContact CG-O 3.48Å; V234-I236 WeakPolarHBondContact O-CG1 3.15Å |
| 237 | R | 34.7 | Very low | 33.9 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 52% | 0.517 | 67% | 0.668 | S | S | . | * | | | trans | -159 | 123.1 | 145.6 | -98.3 | 170 | -179.6 | 165.3 | 1.6 | 102.8 | R38 R39 H40 V41 | R38-R237 HydrophobicContact CB-CG 4.42Å; R38-R237 HydrophobicContact CG-CB 4.06Å; R38-R237 HydrophobicContact CG-CG 3.89Å; R38-R237 WeakPolarHBondContact O-CD 3.23Å; R38-R237 PolarHBondContact O-NH1 3.5Å; R39-R237 CarbonylContact C-O 2.81Å; R39-R237 VanDerWaalsContact C-O 3.25Å; H40-R237 CarbonylContact C-O 3.43Å; H40-R237 VanDerWaalsContact CA-O 3.24Å; H40-R237 WeakPolarHBondContact CA-O 3.49Å; H40-R237 PolarHBondContact N-O 2.88Å; H40-R237 VanDerWaalsContact O-O 3.04Å; V41-R237 PolarHBondContact N-O 3Å; V41-R237 CarbonylContact O-C 3.49Å |
| 238 | G | 31.1 | Very low | 33.9 | Very low | 41 Ų | 41 | 137.8 Ų | 137.8 | 42% | 0.423 | 66% | 0.657 | S | S | . | * | | | cis | 90.9 | 111.1 | 49.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V41 | V41-G238 PolarHBondContact N-O 2.99Å; V41-G238 PolarHBondContact O-N 2.93Å |
| 239 | R | 36.3 | Very low | 33.7 | Very low | 87 Ų | 87 | 138 Ų | 138 | 33% | 0.328 | 66% | 0.659 | S | S | . | * | | | trans | -163.9 | 123.9 | 168.3 | -98.3 | -170.2 | -170.2 | -114.8 | 5.5 | 114.2 | H40 V41 R42 | H40-R239 PolarHBondContact CD2-NE 3.37Å; H40-R239 PolarHBondContact CE1-NE 3.07Å; H40-R239 PolarHBondContact CE1-NH2 2.87Å; H40-R239 VanDerWaalsContact CE1-NH2 3.28Å; H40-R239 PolarHBondContact ND1-NE 3.35Å; H40-R239 VanDerWaalsContact NE2-CZ 3.31Å; H40-R239 PolarHBondContact NE2-NE 3.48Å; H40-R239 VanDerWaalsContact NE2-NE 3.14Å; H40-R239 PolarHBondContact NE2-NH2 3.21Å; V41-R239 HydrophobicContact CG2-CB 3.99Å; R42-R239 WeakPolarHBondContact CB-O 3.34Å; R42-R239 WeakPolarHBondContact CD-O 3.45Å; R42-R239 WeakPolarHBondContact CG-O 3.23Å |
| 240 | R | 34.4 | Very low | 33.4 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 75% | 0.747 | 63% | 0.634 | S | S | * | * | | | trans | 69.5 | 120.2 | 155 | -65.2 | -175.2 | 170.3 | 155.8 | -3.7 | 121.3 | R42 | R42-R240 WeakPolarHBondContact CD-O 3.44Å; R42-R240 PolarHBondContact NE-O 2.84Å |
| 241 | P | 35.9 | Very low | 33.3 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -85 | 157.9 | 175 | 35.9 | -35.3 | 0 | 0 | 0 | 113.3 | | |
| 242 | K | 40.1 | Very low | 33.2 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 75% | 0.748 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 144.9 | 166.8 | -77.7 | -173.2 | 176.1 | 179 | 0 | 111.6 | Y244 | K242-Y244 HydrophobicContact CB-CD2 4.42Å; K242-Y244 HydrophobicContact CB-CE2 4.02Å; K242-Y244 HydrophobicContact CD-CE2 3.98Å |
| 243 | K | 33 | Very low | 33.2 | Very low | 201 Ų | 201 | 127 Ų | 127 | 87% | 0.874 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 136.5 | 163.2 | -61.7 | 177.8 | -180 | -179.7 | 0 | 108.7 | | |
| 244 | Y | 33.8 | Very low | 33 | Very low | 194 Ų | 194 | 124.7 Ų | 124.7 | 76% | 0.761 | 64% | 0.637 | S | S | * | * | | | trans | -129.6 | 137.4 | 152.4 | -75.2 | -80.8 | 0 | 0 | 0 | 108.2 | K242 | K242-Y244 HydrophobicContact CB-CD2 4.42Å; K242-Y244 HydrophobicContact CB-CE2 4.02Å; K242-Y244 HydrophobicContact CD-CE2 3.98Å |
| 245 | H | 28.1 | Very low | 33.1 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 57% | 0.565 | 64% | 0.644 | S | S | * | * | | | trans | -137.8 | 135 | -176.2 | 155.6 | 80.6 | 0 | 0 | 0 | 106.5 | N739 | H245-N739 PolarHBondContact CE1-OD1 3.01Å; H245-N739 PolarHBondContact ND1-OD1 3.47Å |
| 246 | K | 33.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 64% | 0.643 | 64% | 0.642 | S | S | * | * | | | trans | 174.8 | 127.3 | 136.4 | -98 | -174.3 | 165 | -158.7 | 0 | 110.5 | | |
| 247 | H | 32 | Very low | 32.6 | Very low | 90 Ų | 90 | 128 Ų | 128 | 42% | 0.417 | 65% | 0.647 | S | S | . | * | | | trans | 67.7 | 126 | 136.8 | -62 | -42 | 0 | 0 | 0 | 121.3 | T738 | H247-T738 VanDerWaalsContact CB-CB 3.44Å; H247-T738 HydrophobicContact CB-CG2 3.5Å; H247-T738 WeakPolarHBondContact ND1-CB 3.44Å; H247-T738 PolarHBondContact ND1-O 3.24Å; H247-T738 PolarHBondContact ND1-OG1 2.7Å; H247-T738 VanDerWaalsContact ND1-OG1 3.1Å |
| 248 | E | 27.4 | Very low | 32.4 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 52% | 0.523 | 66% | 0.658 | S | S | . | * | | | trans | -112.6 | 101.9 | 174.5 | 83.8 | -146.8 | -40.7 | 0 | 0 | 112.7 | S250 D737 T738 N739 S740 | E248-S250 PolarHBondContact O-N 2.97Å; E248-D737 WeakPolarHBondContact O-CA 3.18Å; E248-T738 VanDerWaalsContact N-CG2 3.3Å; E248-T738 WeakPolarHBondContact O-CA 3.12Å; E248-T738 WeakPolarHBondContact O-CG2 3.29Å; E248-N739 VanDerWaalsContact CD-N 3.35Å; E248-N739 VanDerWaalsContact OE1-C 3.32Å; E248-N739 WeakPolarHBondContact OE2-CA 3.45Å; E248-N739 PolarHBondContact OE2-N 2.96Å; E248-N739 VanDerWaalsContact OE2-O 3.13Å; E248-S740 PolarHBondContact OE1-N 3Å; E248-S740 PolarHBondContact OE2-N 3.11Å |
| 249 | S | 34.4 | Very low | 32.3 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | | | trans | -72 | 131.3 | -178.7 | -64.1 | 0 | 0 | 0 | 0 | 112.4 | D737 | S249-D737 VanDerWaalsContact CA-OD1 3.29Å; S249-D737 WeakPolarHBondContact CA-OD1 3.11Å; S249-D737 WeakPolarHBondContact CA-OD2 3.46Å; S249-D737 VanDerWaalsContact CB-OD2 3.3Å; S249-D737 WeakPolarHBondContact CB-OD2 3.3Å; S249-D737 PolarHBondContact OG-OD2 3.11Å |
| 250 | S | 29.5 | Very low | 32.2 | Very low | 46 Ų | 46 | 142.1 Ų | 142.1 | 32% | 0.322 | 70% | 0.702 | S | S | . | * | | | trans | -77.9 | 154.2 | -175.7 | 75.6 | 0 | 0 | 0 | 0 | 111.2 | E248 P735 D737 | E248-S250 PolarHBondContact O-N 2.97Å; S250-P735 PolarHBondContact OG-O 3.37Å; S250-D737 PolarHBondContact N-OD1 2.86Å; S250-D737 PolarHBondContact OG-N 3.25Å |
| 251 | N | 33.2 | Very low | 32.3 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 88% | 0.882 | 71% | 0.706 | S | S | * | * | | | trans | -140.7 | 129.7 | 162.4 | -100 | -80.1 | 0 | 0 | 0 | 108.8 | | |
| 252 | V | 31.1 | Very low | 32.3 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 62% | 0.624 | 70% | 0.701 | S | S | * | * | | | trans | -99.6 | 129.7 | -165.2 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 253 | S | 33.4 | Very low | 31.8 | Very low | 125 Ų | 125 | 140 Ų | 140 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | | | trans | -134.7 | 135.7 | 162.4 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 254 | S | 29.5 | Very low | 31.9 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | | | trans | -110.2 | 179 | -157.3 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 255 | R | 33 | Very low | 31.8 | Very low | 242 Ų | 242 | 133.7 Ų | 133.7 | 91% | 0.913 | 70% | 0.7 | S | S | * | * | | | trans | 73.8 | 148.1 | -176.5 | -58.5 | 179.6 | 161.9 | -141.7 | -6.6 | 115.9 | | |
| 256 | S | 25.8 | Very low | 32.1 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | | | cis | -175.3 | 148.6 | -30.1 | -168.1 | 0 | 0 | 0 | 0 | 105.7 | | |
| 257 | P | 34.6 | Very low | 32.2 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | | | trans | -114.3 | 89.4 | -161.7 | 38.4 | -27.1 | 0 | 0 | 0 | 115.7 | | |
| 258 | E | 30.4 | Very low | 32.2 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | | | trans | -88.5 | 117.7 | 156.8 | -87.6 | 85.4 | 163.2 | 0 | 0 | 109.4 | | |
| 259 | Q | 29.2 | Very low | 32.3 | Very low | 172 Ų | 172 | 148 Ų | 148 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | cis | 74.5 | 89.6 | 44.1 | -163.2 | -169.8 | 8.5 | 0 | 0 | 113.8 | | |
| 260 | R | 32.9 | Very low | 32.3 | Very low | 227 Ų | 227 | 148.8 Ų | 148.8 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | | | trans | -159.4 | 135.5 | 141.7 | -119.4 | 166.9 | 167.3 | 163.5 | -3.6 | 110.9 | | |
| 261 | Q | 38.1 | Very low | 32.4 | Very low | 180 Ų | 180 | 153 Ų | 153 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -122.4 | 126.9 | -176.6 | -69.5 | -168.3 | -0.1 | 0 | 0 | 111.4 | | |
| 262 | H | 34.8 | Very low | 32.4 | Very low | 120 Ų | 120 | 156.3 Ų | 156.3 | 56% | 0.556 | 78% | 0.781 | S | S | * | * | | | trans | -149.7 | 132.5 | 166.2 | -52.8 | -80.1 | 0 | 0 | 0 | 106 | H264 | H262-H264 HydrophobicContact CB-CB 4.47Å; H262-H264 AromaticContact CE1-CD2 3.95Å; H262-H264 AromaticContact CE1-NE2 3.48Å; H262-H264 PolarHBondContact CE1-NE2 3.17Å; H262-H264 AromaticContact CG-CD2 3.53Å; H262-H264 AromaticContact CG-NE2 3.88Å; H262-H264 AromaticContact ND1-CD2 3.14Å; H262-H264 PolarHBondContact ND1-CD2 3.4Å; H262-H264 AromaticContact ND1-CE1 3.86Å; H262-H264 AromaticContact ND1-CG 3.99Å; H262-H264 AromaticContact ND1-NE2 3.03Å; H262-H264 PolarHBondContact ND1-NE2 3.01Å |
| 263 | S | 29.1 | Very low | 32.4 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | cis | 35.1 | 70.9 | 8.7 | -68.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 264 | H | 35.5 | Very low | 32.6 | Very low | 155 Ų | 155 | 157.4 Ų | 157.4 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | | | trans | -106.3 | 107.6 | 151.5 | -98.2 | -57.6 | 0 | 0 | 0 | 109.3 | H262 | H262-H264 HydrophobicContact CB-CB 4.47Å; H262-H264 AromaticContact CE1-CD2 3.95Å; H262-H264 AromaticContact CE1-NE2 3.48Å; H262-H264 PolarHBondContact CE1-NE2 3.17Å; H262-H264 AromaticContact CG-CD2 3.53Å; H262-H264 AromaticContact CG-NE2 3.88Å; H262-H264 AromaticContact ND1-CD2 3.14Å; H262-H264 PolarHBondContact ND1-CD2 3.4Å; H262-H264 AromaticContact ND1-CE1 3.86Å; H262-H264 AromaticContact ND1-CG 3.99Å; H262-H264 AromaticContact ND1-NE2 3.03Å; H262-H264 PolarHBondContact ND1-NE2 3.01Å |
| 265 | S | 31.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 159.9 Ų | 159.9 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -86.1 | 157.7 | 144.4 | 54.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 266 | R | 33.9 | Very low | 32.7 | Very low | 225 Ų | 225 | 154.2 Ų | 154.2 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 68.9 | 81.7 | 166.1 | -146.8 | 167.6 | -161.1 | 148.8 | 5.4 | 117.9 | | |
| 267 | T | 36.1 | Very low | 33.4 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | | 35 | 129.3 | 129.1 | 27.7 | 0 | 0 | 0 | 0 | 120.6 | R269 | T267-R269 PolarHBondContact O-N 3.48Å; T267-R269 VanDerWaalsContact O-N 3.16Å |
| 268 | F | 32.4 | Very low | 33.1 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -48.3 | 118.5 | 138.1 | -79.4 | -92.3 | 0 | 0 | 0 | 109.9 | | |
| 269 | R | 30.7 | Very low | 33.4 | Very low | 222 Ų | 222 | 159.2 Ų | 159.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -83.5 | 112.7 | 133.7 | -84.2 | -178.8 | 167.1 | 169.3 | -5.7 | 106.1 | T267 | T267-R269 PolarHBondContact O-N 3.48Å; T267-R269 VanDerWaalsContact O-N 3.16Å |
| 270 | S | 33.8 | Very low | 33.6 | Very low | 109 Ų | 109 | 156.5 Ų | 156.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -64.4 | 139.6 | 147.7 | 46.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 271 | N | 32.1 | Very low | 33.8 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -77 | 131.2 | -167.9 | -60.6 | -42.9 | 0 | 0 | 0 | 111.1 | T273 | N271-T273 HydrophobicContact CB-CG2 4.15Š|
| 272 | R | 31.5 | Very low | 33.5 | Very low | 234 Ų | 234 | 152.1 Ų | 152.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -85.1 | 98.2 | 134.7 | -89.6 | -169.3 | 173.7 | 178.3 | -1.6 | 106.9 | N274 | R272-N274 PolarHBondContact O-N 2.84Š|
| 273 | T | 32.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | | | trans | -64.5 | 108.3 | 156.8 | 42.2 | 0 | 0 | 0 | 0 | 107.4 | N271 | N271-T273 HydrophobicContact CB-CG2 4.15Š|
| 274 | N | 36.4 | Very low | 33.7 | Very low | 143 Ų | 143 | 153.4 Ų | 153.4 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | | | trans | -98.5 | 135.4 | 152.1 | -80.8 | 22.2 | 0 | 0 | 0 | 106.5 | R272 | R272-N274 PolarHBondContact O-N 2.84Š|
| 275 | D | 31.6 | Very low | 34 | Very low | 151 Ų | 151 | 152.4 Ų | 152.4 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -73.4 | 145 | -170.2 | -55.3 | -92.3 | 0 | 0 | 0 | 113.1 | | |
| 276 | S | 32.6 | Very low | 34.4 | Very low | 124 Ų | 124 | 152.4 Ų | 152.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | | | trans | -133.1 | 134.7 | 137.9 | -171.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 277 | S | 40.5 | Very low | 34.6 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -72.8 | 153.3 | -160.2 | -70.8 | 0 | 0 | 0 | 0 | 113.6 | S279 | S277-S279 PolarHBondContact O-N 3.21Š|
| 278 | R | 28.7 | Very low | 34.2 | Very low | 252 Ų | 252 | 149.5 Ų | 149.5 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | | | trans | -46.8 | 130.9 | 156.6 | -66.4 | 165.7 | 166.3 | 149.6 | -8.2 | 109.9 | | |
| 279 | S | 37.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | -135.3 | 143.3 | 148.8 | 66.2 | 0 | 0 | 0 | 0 | 109 | S277 | S277-S279 PolarHBondContact O-N 3.21Š|
| 280 | S | 33 | Very low | 34.1 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -120.4 | 124.2 | -174 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 281 | V | 37.1 | Very low | 34.2 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 90% | 0.903 | 80% | 0.8 | S | S | * | * | | | trans | -130 | 147 | 160.5 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 282 | K | 31.7 | Very low | 34.3 | Very low | 167 Ų | 167 | 149.9 Ų | 149.9 | 73% | 0.726 | 80% | 0.804 | S | S | * | * | | | trans | -138.4 | 140.4 | -165.8 | 177.2 | 172.2 | 176.9 | -179.7 | 0 | 109.8 | | |
| 283 | D | 31.4 | Very low | 34.1 | Very low | 128 Ų | 128 | 148.5 Ų | 148.5 | 68% | 0.684 | 81% | 0.805 | S | S | * | * | | | trans | 40.2 | 114.4 | 163.3 | -49.8 | -23.1 | 0 | 0 | 0 | 119.4 | | |
| 284 | T | 36.9 | Very low | 34.5 | Very low | 146 Ų | 146 | 153.5 Ų | 153.5 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | | | trans | -164.2 | 146.1 | 138.4 | 4.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 285 | V | 42.6 | Very low | 34.4 | Very low | 134 Ų | 134 | 153 Ų | 153 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -152.7 | 157.9 | -179.5 | 175.1 | 0 | 0 | 0 | 0 | 105.8 | | |
| 286 | P | 39.6 | Very low | 34.5 | Very low | 109 Ų | 109 | 151 Ų | 151 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | cis | -120.8 | 166.5 | -25 | 36.1 | -23.2 | 0 | 0 | 0 | 113.2 | | |
| 287 | K | 37.2 | Very low | 34.9 | Very low | 218 Ų | 218 | 150.2 Ų | 150.2 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | | | trans | -167.3 | 153.3 | 135.8 | -67 | -154 | -177.8 | 173.6 | 0 | 108.5 | | |
| 288 | G | 28.6 | Very low | 34.6 | Very low | 65 Ų | 65 | 151.9 Ų | 151.9 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | cis | 152.5 | 115.2 | -12.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 289 | K | 30.9 | Very low | 34.7 | Very low | 220 Ų | 220 | 149.1 Ų | 149.1 | 96% | 0.957 | 80% | 0.795 | S | S | * | * | | | trans | 65.5 | 135.1 | -179 | -52.5 | 174.3 | 180 | 177.4 | 0 | 114.8 | | |
| 290 | G | 30.7 | Very low | 34.8 | Very low | 66 Ų | 66 | 149.9 Ų | 149.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | cis | 113.5 | 114.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 291 | F | 34.5 | Very low | 34.8 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | -152.9 | 145.4 | 170.1 | -101.7 | -64.4 | 0 | 0 | 0 | 113.1 | | |
| 292 | R | 34.9 | Very low | 34.5 | Very low | 214 Ų | 214 | 155.8 Ų | 155.8 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | | | trans | 36.3 | 106.7 | 156 | -65.9 | 150.7 | -170.2 | 174.5 | 3.4 | 116.5 | | |
| 293 | K | 28.3 | Very low | 34.7 | Very low | 206 Ų | 206 | 152.9 Ų | 152.9 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | cis | 60.4 | 94.8 | 36.5 | -159.5 | -168 | -174.8 | -174.3 | 0 | 113.9 | | |
| 294 | R | 39.6 | Very low | 34.7 | Very low | 212 Ų | 212 | 154.6 Ų | 154.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -150.9 | 179.3 | 155 | -103.7 | -163.6 | -175.1 | -94.1 | 9.4 | 110.9 | | |
| 295 | E | 35.5 | Very low | 34.3 | Very low | 134 Ų | 134 | 157.6 Ų | 157.6 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | | | trans | -44.9 | 137.9 | -161.2 | -64.1 | 74.2 | -147.1 | 0 | 0 | 115.4 | | |
| 296 | S | 33.9 | Very low | 33.7 | Very low | 107 Ų | 107 | 157.2 Ų | 157.2 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | cis | 76 | 125.9 | 47.5 | -171.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 297 | P | 40.8 | Very low | 33.1 | Very low | 109 Ų | 109 | 155.8 Ų | 155.8 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81 | 152 | -167.7 | 32.6 | -37 | 0 | 0 | 0 | 114.2 | K299 | P297-K299 PolarHBondContact O-N 2.93Š|
| 298 | V | 33.4 | Very low | 32.9 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 119.2 | 164.6 | 174.7 | 0 | 0 | 0 | 0 | 109 | | |
| 299 | K | 31.5 | Very low | 33 | Very low | 194 Ų | 194 | 157.9 Ų | 157.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 129.5 | 172.4 | -58.1 | 170.8 | -176.9 | 173.8 | 0 | 109.2 | P297 | P297-K299 PolarHBondContact O-N 2.93Š|
| 300 | V | 38.9 | Very low | 33.1 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -119.6 | 150.1 | 150.9 | -172.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 301 | K | 32.6 | Very low | 33.5 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | | | trans | -74.9 | 148.5 | -154.9 | -64.1 | 177.4 | 179 | 177.1 | 0 | 113.9 | | |
| 302 | K | 30.3 | Very low | 33.6 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 87% | 0.87 | 71% | 0.706 | S | S | * | * | | | trans | -76.1 | 133.8 | 142.8 | -80.1 | -173.3 | 173.2 | -173 | 0 | 108.9 | | |
| 303 | T | 36.3 | Very low | 33.7 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 66% | 0.656 | 70% | 0.697 | S | S | * | * | | | trans | -141.4 | 109.2 | 152.8 | 35.2 | 0 | 0 | 0 | 0 | 104 | | |
| 304 | E | 32.1 | Very low | 33.9 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | | | | 101.6 | 98.3 | 87.3 | -162.8 | 152.7 | -124.8 | 0 | 0 | 106.4 | | |
| 305 | Y | 27.4 | Very low | 33.7 | Very low | 209 Ų | 209 | 132.4 Ų | 132.4 | 82% | 0.82 | 69% | 0.69 | S | S | * | * | | | | 44.3 | 117 | 89.5 | -69.5 | -77.4 | 0 | 0 | 0 | 110.5 | | |
| 306 | T | 31.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 77% | 0.767 | 69% | 0.694 | S | S | * | * | | | | -156.8 | 156.2 | 53.8 | 43.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 307 | S | 27.5 | Very low | 33.6 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 56% | 0.559 | 70% | 0.697 | S | S | * | * | | | trans | 30.8 | 124.3 | 132 | -57.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 308 | E | 31.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 77% | 0.771 | 69% | 0.69 | S | S | * | * | | | | 77.8 | 146.6 | 87.5 | -66.6 | 151.6 | -114.4 | 0 | 0 | 113.7 | | |
| 309 | E | 31.9 | Very low | 33.2 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.752 | 67% | 0.674 | S | S | * | * | | | cis | -164.2 | 178.8 | -17.4 | -171.6 | 164 | 127.4 | 0 | 0 | 108.1 | | |
| 310 | S | 32.1 | Very low | 33.2 | Very low | 50 Ų | 50 | 129.6 Ų | 129.6 | 35% | 0.35 | 66% | 0.664 | S | S | . | * | | | trans | 69.8 | 151.3 | 175 | -45.9 | 0 | 0 | 0 | 0 | 115.5 | R1176 | S310-R1176 VanDerWaalsContact C-NH1 3.35Å; S310-R1176 VanDerWaalsContact O-CD 3.23Å; S310-R1176 WeakPolarHBondContact O-CD 3.46Å; S310-R1176 PolarHBondContact O-NH1 2.7Å |
| 311 | D | 39.1 | Very low | 33.1 | Very low | 56 Ų | 56 | 129 Ų | 129 | 30% | 0.299 | 66% | 0.656 | S | S | . | * | | | cis | -149 | 164.3 | 23.7 | -48.2 | -77.8 | 0 | 0 | 0 | 112.5 | N1174 T1175 R1176 | D311-N1174 VanDerWaalsContact C-C 3.42Å; D311-N1174 WeakPolarHBondContact CA-O 3.42Å; D311-N1174 HydrophobicContact CB-CB 4.11Å; D311-N1174 VanDerWaalsContact CB-CG 3.44Å; D311-N1174 VanDerWaalsContact CB-ND2 3.35Å; D311-N1174 WeakPolarHBondContact CB-ND2 3.28Å; D311-N1174 PolarHBondContact OD1-ND2 2.86Å; D311-T1175 VanDerWaalsContact C-CA 3.44Å; D311-R1176 VanDerWaalsContact CB-NH2 3.32Å; D311-R1176 VanDerWaalsContact N-CD 3.35Å; D311-R1176 VanDerWaalsContact N-NE 3.1Å; D311-R1176 VanDerWaalsContact N-NH1 3.19Å; D311-R1176 WeakPolarHBondContact O-CB 3.22Å; D311-R1176 WeakPolarHBondContact O-CD 3.48Å; D311-R1176 VanDerWaalsContact O-CG 3.3Å; D311-R1176 WeakPolarHBondContact O-CG 3.4Å; D311-R1176 PolarHBondContact O-NE 3.42Å; D311-R1176 IonicContact OD2-CZ 3.09Å; D311-R1176 IonicContact OD2-NH1 2.71Å; D311-R1176 PolarHBondContact OD2-NH1 2.65Å; D311-R1176 IonicContact OD2-NH2 2.81Å; D311-R1176 PolarHBondContact OD2-NH2 3.17Å |
| 312 | D | 37.1 | Very low | 32.9 | Very low | 56 Ų | 56 | 127 Ų | 127 | 30% | 0.299 | 65% | 0.65 | S | S | . | * | | | trans | -69.2 | 180 | 173.6 | -68.6 | 155 | 0 | 0 | 0 | 110.1 | S1173 N1174 T1175 | D312-S1173 WeakPolarHBondContact OD1-CA 3.31Å; D312-S1173 PolarHBondContact OD1-N 2.81Å; D312-N1174 WeakPolarHBondContact CB-OD1 2.86Å; D312-N1174 PolarHBondContact N-OD1 3.16Å; D312-N1174 PolarHBondContact OD1-N 3.5Å; D312-N1174 VanDerWaalsContact OD2-CA 3.3Å; D312-N1174 WeakPolarHBondContact OD2-CA 3.45Å; D312-N1174 PolarHBondContact OD2-N 3.42Å; D312-T1175 VanDerWaalsContact N-N 3.12Å; D312-T1175 PolarHBondContact OD2-N 3.14Å |
| 313 | H | 38 | Very low | 32.9 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 63% | 0.625 | 65% | 0.645 | S | S | * | * | | | | -154.1 | 170.7 | 96 | -114 | -119.1 | 0 | 0 | 0 | 110.6 | | |
| 314 | C | 31.1 | Very low | 32.8 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 66% | 0.655 | 64% | 0.643 | S | S | * | * | | | trans | -68.1 | 170 | -166.2 | -159.9 | 0 | 0 | 0 | 0 | 114.8 | L1172 | C314-L1172 HydrophobicContact CB-CD2 3.87Š|
| 315 | L | 35.9 | Very low | 32.8 | Very low | 167 Ų | 167 | 123.5 Ų | 123.5 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | | | trans | -53.9 | 146.4 | 176.3 | -69.4 | 162.7 | 0 | 0 | 0 | 113.7 | | |
| 316 | D | 35.5 | Very low | 33 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | | | trans | -128.4 | 136.9 | 170.1 | -147.8 | 8.2 | 0 | 0 | 0 | 110.3 | | |
| 317 | Y | 31.4 | Very low | 33 | Very low | 205 Ų | 205 | 121.4 Ų | 121.4 | 80% | 0.804 | 64% | 0.635 | S | S | * | * | | | trans | 42.8 | 150.4 | 149.9 | -87.3 | -134.1 | 0 | 0 | 0 | 123.3 | | |
| 318 | V | 30.7 | Very low | 33.2 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 56% | 0.564 | 65% | 0.645 | S | S | * | * | | | cis | -172.3 | 151.1 | -26.5 | 81.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 319 | S | 35.1 | Very low | 33.1 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | | | trans | 62.5 | 165 | 160 | -76 | 0 | 0 | 0 | 0 | 117.2 | K1162 | S319-K1162 PolarHBondContact OG-NZ 2.8Š|
| 320 | N | 32.5 | Very low | 33 | Very low | 120 Ų | 120 | 117.3 Ų | 117.3 | 64% | 0.642 | 64% | 0.636 | S | S | * | * | | | cis | -156.6 | 133.3 | -20.6 | -112.6 | 21.6 | 0 | 0 | 0 | 106.9 | | |
| 321 | D | 35.6 | Very low | 33.1 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 65% | 0.652 | 66% | 0.656 | S | S | * | * | | | | 178.5 | 128.9 | 120.9 | -90.3 | -8.3 | 0 | 0 | 0 | 108.1 | | |
| 322 | Q | 29.6 | Very low | 33 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | | | | 66.4 | 133.1 | 75.5 | -67.6 | -169.5 | 96.7 | 0 | 0 | 112.5 | | |
| 323 | L | 29.8 | Very low | 32.7 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | | | cis | -165.2 | -164.3 | -19.7 | -123.5 | 173.6 | 0 | 0 | 0 | 106.2 | | |
| 324 | C | 33.7 | Very low | 32.3 | Very low | 91 Ų | 91 | 130.8 Ų | 130.8 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | | | trans | 70 | 115.8 | 178.3 | -60.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 325 | E | 33.2 | Very low | 32.5 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 75% | 0.752 | 71% | 0.71 | S | S | * | * | | | | 101.2 | 148.9 | 57 | -84.5 | 157.7 | -152.9 | 0 | 0 | 110 | | |
| 326 | E | 31.2 | Very low | 32.4 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | | | cis | -158.3 | 155.4 | -24.9 | -179 | 163.6 | 151.2 | 0 | 0 | 109.7 | | |
| 327 | N | 29.9 | Very low | 32.2 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | | | trans | 4.3 | 111.6 | 160.5 | -54 | -39.5 | 0 | 0 | 0 | 120 | | |
| 328 | S | 33.1 | Very low | 32.4 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | | | | -164 | 123.3 | 118 | -149.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 329 | A | 28.8 | Very low | 32.5 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 57% | 0.57 | 72% | 0.722 | S | S | * | * | | | | 59.2 | 110.8 | 53.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 330 | D | 30 | Very low | 32.5 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | | 42.8 | 123.4 | 123.7 | -45.8 | -28.6 | 0 | 0 | 0 | 116.3 | | |
| 331 | D | 33.2 | Very low | 32.5 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | cis | -148.3 | -165.8 | 23 | -69.1 | -68.1 | 0 | 0 | 0 | 109.2 | | |
| 332 | D | 37 | Very low | 32.2 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | cis | -159.6 | 164.4 | 8.3 | -157 | 1.2 | 0 | 0 | 0 | 113.4 | | |
| 333 | N | 31.6 | Very low | 32.5 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | | | trans | 64.9 | 134.4 | 144.9 | -106.3 | -65.6 | 0 | 0 | 0 | 124.1 | | |
| 334 | E | 30.1 | Very low | 32.6 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -65.9 | 145.3 | 170.6 | -50.2 | 175.6 | 92.8 | 0 | 0 | 112.8 | | |
| 335 | S | 33.8 | Very low | 32.3 | Very low | 116 Ų | 116 | 151.6 Ų | 151.6 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -145 | 96.2 | 145.6 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 336 | Q | 33.6 | Very low | 32.1 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | 5.7 | 117.4 | 157.3 | -55.2 | -177.1 | 33.1 | 0 | 0 | 118.9 | | |
| 337 | Q | 31.9 | Very low | 32 | Very low | 204 Ų | 204 | 159.5 Ų | 159.5 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | | | trans | -100.7 | 129.9 | 147.6 | -75.1 | -164.6 | -8.3 | 0 | 0 | 111.2 | | |
| 338 | K | 35.7 | Very low | 32 | Very low | 171 Ų | 171 | 157.7 Ų | 157.7 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | -112.7 | 136.5 | 168.8 | -76.5 | 175.5 | -178.8 | 162.5 | 0 | 110.3 | | |
| 339 | S | 33.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 158.5 Ų | 158.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | 54 | 73.6 | 151.3 | -175.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 340 | S | 33.8 | Very low | 32 | Very low | 114 Ų | 114 | 161.3 Ų | 161.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -77.6 | 129.6 | 155.1 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 341 | R | 34.3 | Very low | 31.9 | Very low | 231 Ų | 231 | 162 Ų | 162 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | | | trans | -144.8 | 123.8 | 169.9 | -178.7 | -177.5 | -83.4 | -164.6 | -3.3 | 110.2 | | |
| 342 | R | 29.3 | Very low | 31.8 | Very low | 236 Ų | 236 | 160.7 Ų | 160.7 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | 70.8 | 92.9 | 169.4 | -156.7 | 173.2 | -162.3 | 151.7 | 3.9 | 116 | | |
| 343 | V | 34.7 | Very low | 31.4 | Very low | 121 Ų | 121 | 161.3 Ų | 161.3 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | | | trans | -109.8 | 133.9 | 161.8 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 344 | V | 31.6 | Very low | 31.4 | Very low | 134 Ų | 134 | 161.5 Ų | 161.5 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | trans | -141.7 | 144.4 | 156.9 | 179.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 345 | R | 27.3 | Very low | 31.2 | Very low | 235 Ų | 235 | 158 Ų | 158 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | 65.4 | 72.9 | 174.8 | -158.6 | -177.7 | -175.2 | 95.5 | -3.2 | 116.4 | | |
| 346 | R | 29.3 | Very low | 30.9 | Very low | 244 Ų | 244 | 159.4 Ų | 159.4 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | | -136.5 | 168 | 114.7 | -116.1 | 176.8 | 179.8 | 160.9 | 1.4 | 110.2 | | |
| 347 | R | 29.8 | Very low | 30.8 | Very low | 236 Ų | 236 | 155.3 Ų | 155.3 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | | | trans | -69.1 | 155 | -172.2 | -75.6 | 175.7 | 167.9 | 164 | -7.3 | 111.8 | | |
| 348 | S | 30.4 | Very low | 30.7 | Very low | 99 Ų | 99 | 154.6 Ų | 154.6 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | | | trans | -44.9 | 150.3 | 156.7 | 38 | 0 | 0 | 0 | 0 | 112.5 | | |
| 349 | T | 29.2 | Very low | 30.4 | Very low | 125 Ų | 125 | 154 Ų | 154 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | | | cis | 67.4 | 108.2 | 26.1 | 77.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 350 | V | 31.1 | Very low | 30.2 | Very low | 128 Ų | 128 | 155.8 Ų | 155.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | | 179.2 | 150.1 | 114 | 148.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 351 | E | 28.7 | Very low | 30.1 | Very low | 156 Ų | 156 | 158.9 Ų | 158.9 | 73% | 0.729 | 80% | 0.802 | S | S | * | * | | | trans | -75.6 | 160.4 | -179.7 | -47.2 | 91.8 | 147.6 | 0 | 0 | 112.7 | | |
| 352 | T | 32.1 | Very low | 29.9 | Very low | 121 Ų | 121 | 153 Ų | 153 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | | -156.9 | 114 | 129 | -68.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 353 | T | 28.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | | | trans | -122.1 | 109.8 | 158.2 | 34.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 354 | T | 30.7 | Very low | 29.6 | Very low | 130 Ų | 130 | 149 Ų | 149 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | | | trans | -138.3 | 122.7 | 172.8 | 44.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 355 | S | 26.6 | Very low | 29.7 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -101.7 | 177.2 | 177.3 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 356 | T | 28.1 | Very low | 30.2 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | 106.1 | 142.6 | 164.4 | 69.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 357 | G | 30.8 | Very low | 30.6 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | 88.5 | 95.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 358 | Q | 30.3 | Very low | 31 | Very low | 190 Ų | 190 | 135 Ų | 135 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | | | | 66.7 | 94.5 | 62.5 | -63 | -161 | -86.6 | 0 | 0 | 115.9 | | |
| 359 | K | 28 | Very low | 31.1 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | | 35.4 | 111.3 | 117.7 | -160.5 | -140 | 173 | -150.6 | 0 | 117.6 | | |
| 360 | E | 30.3 | Very low | 31.6 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | | -175.3 | 120.9 | 109.1 | -99.7 | 162.7 | -163.3 | 0 | 0 | 114.1 | | |
| 361 | E | 31.6 | Very low | 31.7 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | | 42.2 | 158.2 | 129.6 | -150 | 160.6 | 164.6 | 0 | 0 | 124.1 | | |
| 362 | S | 30.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | trans | 78.6 | 112.6 | 178.4 | -120.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 363 | V | 28.7 | Very low | 32.7 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | | | cis | 96.6 | 145.9 | 39.9 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 364 | H | 29.2 | Very low | 32.9 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | | | trans | 75.5 | 140 | 176.4 | -69.1 | -30.2 | 0 | 0 | 0 | 118.9 | | |
| 365 | D | 33.4 | Very low | 32.9 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 61% | 0.61 | 73% | 0.727 | S | S | * | * | | | cis | -163.6 | 168.8 | -28.7 | -121.7 | 11.6 | 0 | 0 | 0 | 114.3 | | |
| 366 | E | 37.4 | Very low | 33.2 | Very low | 163 Ų | 163 | 132.5 Ų | 132.5 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | | | trans | 59.2 | 135.1 | 146.3 | -71.5 | -177.5 | 156.3 | 0 | 0 | 123.3 | | |
| 367 | D | 36.7 | Very low | 33.5 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | | | trans | 51.8 | 109.9 | 143.4 | -79.5 | 14.3 | 0 | 0 | 0 | 122.1 | | |
| 368 | N | 39.1 | Very low | 33.4 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | | | | -136.4 | 126.7 | 82.7 | -103.1 | -83 | 0 | 0 | 0 | 112.8 | | |
| 369 | S | 33.1 | Very low | 33.7 | Very low | 72 Ų | 72 | 130.8 Ų | 130.8 | 50% | 0.503 | 70% | 0.703 | S | S | . | * | | | trans | -87 | -170.3 | 168.4 | 58 | 0 | 0 | 0 | 0 | 111.1 | | |
| 370 | K | 38.3 | Very low | 34.1 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | | | trans | 90 | 136.8 | 167.8 | -62.8 | 170.7 | -174 | 169.3 | 0 | 117.7 | | |
| 371 | V | 34.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | | | cis | -161.8 | 155.7 | -20.1 | 93.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 372 | V | 39.6 | Very low | 34.7 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.655 | 71% | 0.705 | S | S | * | * | | | trans | 6.2 | 139.2 | 140.8 | 176.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 373 | T | 41.1 | Very low | 34.9 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | | | cis | -141.3 | 146 | 36.4 | 11.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 374 | S | 31.6 | Very low | 35.4 | Very low | 86 Ų | 86 | 130 Ų | 130 | 60% | 0.601 | 71% | 0.708 | S | S | * | * | | | | 73.3 | 143.3 | 59.6 | -43.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 375 | N | 31.3 | Very low | 35.7 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | | | trans | 78.2 | 121.1 | 159.4 | -54.6 | -14.1 | 0 | 0 | 0 | 115.7 | | |
| 376 | T | 32.9 | Very low | 35.8 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 71% | 0.71 | S | S | * | * | | | | 94.2 | 139.2 | 97.2 | 53 | 0 | 0 | 0 | 0 | 112.8 | | |
| 377 | S | 34.1 | Very low | 35.6 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | | | cis | -172.5 | -173.9 | -2.2 | 41 | 0 | 0 | 0 | 0 | 110.9 | | |
| 378 | E | 29.6 | Very low | 35.5 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | 85 | 129.7 | 138.9 | -86 | 148.6 | -111 | 0 | 0 | 122.6 | | |
| 379 | I | 35.7 | Very low | 35.3 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 67% | 0.672 | 72% | 0.72 | S | S | * | * | | | trans | 76.3 | 80.6 | 144.3 | -60.7 | 164 | 0 | 0 | 0 | 116.7 | | |
| 380 | V | 36.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | | | trans | -60 | 130.1 | 133 | 169.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 381 | T | 39.4 | Very low | 35.2 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | trans | -153.4 | 118.1 | 142.1 | 11.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 382 | E | 34.9 | Very low | 35.1 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | | | trans | 39.7 | 121.4 | 138.3 | -56.7 | -172.4 | 170.6 | 0 | 0 | 120.5 | | |
| 383 | S | 36.3 | Very low | 34.8 | Very low | 105 Ų | 105 | 130.5 Ų | 130.5 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | | 74.6 | 99.8 | 54.8 | -62.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 384 | K | 38.3 | Very low | 34.6 | Very low | 181 Ų | 181 | 131 Ų | 131 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | | | | 170.4 | 164.7 | 114.7 | -93.5 | 158.6 | -175.7 | 166.9 | 0 | 114.3 | | |
| 385 | Q | 36 | Very low | 34.8 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | 58.8 | 117.6 | 162.6 | -79.4 | 156.1 | -78.3 | 0 | 0 | 118.6 | | |
| 386 | S | 35.5 | Very low | 34.8 | Very low | 82 Ų | 82 | 132.1 Ų | 132.1 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | | | cis | 101.1 | 138.8 | 14.1 | 83.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 387 | F | 32.4 | Very low | 34.8 | Very low | 208 Ų | 208 | 135.5 Ų | 135.5 | 91% | 0.912 | 76% | 0.761 | S | S | * | * | | | trans | 75.9 | 144.1 | 168.1 | -58.8 | -65.4 | 0 | 0 | 0 | 117.9 | | |
| 388 | G | 35.2 | Very low | 34.8 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 149.5 | 45.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 389 | A | 34.2 | Very low | 35.1 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | -77.5 | 122.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 390 | N | 39.6 | Very low | 35 | Very low | 164 Ų | 164 | 135 Ų | 135 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -113.5 | 163.2 | 172.4 | -82.1 | -43.7 | 0 | 0 | 0 | 110.8 | | |
| 391 | N | 29.9 | Very low | 35.3 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -89.4 | 177.5 | -155.4 | -162.2 | 30.3 | 0 | 0 | 0 | 114.8 | | |
| 392 | E | 33.8 | Very low | 35 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 83.2 | 141.5 | 160.2 | -79.6 | 145.3 | -119.3 | 0 | 0 | 119.2 | | |
| 393 | V | 31.6 | Very low | 35.4 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | | | trans | -137.5 | 138.7 | -165 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | T395 | V393-T395 HydrophobicContact CG1-CG2 4.2Š|
| 394 | S | 38 | Very low | 35.6 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | | | trans | -153.1 | 78.3 | 163.9 | -79.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 395 | T | 35.4 | Very low | 35.7 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | | | trans | -101.7 | 127.5 | -177.1 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | V393 | V393-T395 HydrophobicContact CG1-CG2 4.2Š|
| 396 | T | 32.4 | Very low | 35.8 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | | | trans | 62.7 | 128.9 | 145.3 | 55.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 397 | E | 31.4 | Very low | 36.1 | Very low | 196 Ų | 196 | 127.8 Ų | 127.8 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | | | trans | -64.2 | 150.5 | 168.9 | -48.9 | 163.5 | 114.8 | 0 | 0 | 112.7 | | |
| 398 | A | 35.4 | Very low | 36.5 | Very low | 101 Ų | 101 | 126 Ų | 126 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | | | trans | -169.2 | 73 | 154.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 399 | V | 35.4 | Very low | 36.7 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 93% | 0.933 | 75% | 0.746 | S | S | * | * | | | trans | -135.9 | 142.4 | 157 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 400 | S | 32.7 | Very low | 37 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | trans | -113.2 | -178.1 | -167.5 | -161.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 401 | P | 43.8 | Very low | 37.2 | Very low | 106 Ų | 106 | 129 Ų | 129 | 69% | 0.688 | 74% | 0.737 | S | S | * | * | | | | -112.9 | 167 | -67.3 | 34.8 | -24.5 | 0 | 0 | 0 | 111.5 | | |
| 402 | N | 33.3 | Very low | 38.1 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | | | trans | -97.3 | 110.9 | 168.2 | -121 | -25.2 | 0 | 0 | 0 | 110.2 | | |
| 403 | E | 41.9 | Very low | 39 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -71.2 | 128.9 | 174.1 | -62.1 | -171.8 | 135.9 | 0 | 0 | 109.8 | | |
| 404 | T | 40.9 | Very low | 39.7 | Very low | 64 Ų | 64 | 129 Ų | 129 | 39% | 0.393 | 75% | 0.746 | S | S | . | * | | | trans | -130.9 | 105.2 | 175 | 60.2 | 0 | 0 | 0 | 0 | 110 | V1418 S1420 | T404-V1418 HydrophobicContact CG2-CB 3.69Å; T404-V1418 HydrophobicContact CG2-CG1 3.64Å; T404-S1420 WeakPolarHBondContact O-CB 3.3Å |
| 405 | E | 41.8 | Very low | 41.1 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 58% | 0.579 | 74% | 0.737 | S | S | * | * | | | trans | -49.1 | 135.4 | 177.9 | 58.8 | -162.1 | -167 | 0 | 0 | 114.8 | V1418 S1419 S1420 | E405-V1418 HydrophobicContact CG-CG2 4.04Å; E405-S1419 CarbonylContact O-C 3.48Å; E405-S1419 WeakPolarHBondContact O-CA 3.42Å; E405-S1419 WeakPolarHBondContact O-CB 3.41Å; E405-S1419 PolarHBondContact O-OG 2.81Å; E405-S1420 PolarHBondContact O-N 3.17Å |
| 406 | S | 36.9 | Very low | 42.2 | Very low | 67 Ų | 67 | 132 Ų | 132 | 47% | 0.469 | 75% | 0.748 | S | S | . | * | | | trans | -122 | 99.1 | 147.9 | -80.2 | 0 | 0 | 0 | 0 | 107.7 | E408 S1419 S1420 | S406-E408 PolarHBondContact O-N 2.87Å; S406-S1419 PolarHBondContact OG-OG 3.16Å; S406-S1420 VanDerWaalsContact CB-OG 3.23Å; S406-S1420 WeakPolarHBondContact CB-OG 3.4Å; S406-S1420 WeakPolarHBondContact OG-CA 3.46Å; S406-S1420 WeakPolarHBondContact OG-CB 3.34Å; S406-S1420 PolarHBondContact OG-N 3.31Å; S406-S1420 PolarHBondContact OG-O 3.31Å; S406-S1420 PolarHBondContact OG-OG 3.06Å |
| 407 | V | 41.9 | Very low | 43.1 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | | | trans | -39.7 | 121 | 171.8 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 408 | E | 40.5 | Very low | 43.6 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | 65.2 | 110.3 | 140.2 | -142.4 | 160.2 | 150.4 | 0 | 0 | 119.6 | S406 G410 | S406-E408 PolarHBondContact O-N 2.87Å; E408-G410 PolarHBondContact O-N 3.3Å |
| 409 | E | 39.7 | Very low | 43.9 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | trans | -45.7 | 89.7 | 156.3 | -177.5 | 167.6 | -139.5 | 0 | 0 | 112.5 | E411 | E409-E411 PolarHBondContact O-N 2.99Å; E409-E411 VanDerWaalsContact O-N 3.08Å |
| 410 | G | 41.4 | Very low | 44.2 | Very low | 73 Ų | 73 | 126.9 Ų | 126.9 | 75% | 0.753 | 70% | 0.702 | S | S | * | * | | | trans | -68.7 | 101.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E408 A412 | E408-G410 PolarHBondContact O-N 3.3Å; G410-A412 PolarHBondContact O-N 3.14Å |
| 411 | E | 43.6 | Very low | 44.6 | Very low | 165 Ų | 165 | 127.3 Ų | 127.3 | 77% | 0.771 | 69% | 0.692 | S | S | * | * | | | trans | -59.3 | 98.4 | 171.3 | -72.7 | -166.6 | 142.9 | 0 | 0 | 111 | E409 K413 | E409-E411 PolarHBondContact O-N 2.99Å; E409-E411 VanDerWaalsContact O-N 3.08Å; E411-K413 PolarHBondContact O-N 3.33Å |
| 412 | A | 47.6 | Very low | 44.5 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 84% | 0.843 | 68% | 0.676 | S | S | * | * | | | trans | -68.7 | 99.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | G410 | G410-A412 PolarHBondContact O-N 3.14Š|
| 413 | K | 54.1 | Low | 45 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 67% | 0.674 | 67% | 0.671 | S | S | * | * | | | trans | -68.5 | 143.1 | 179 | -66.7 | -176.4 | 178.2 | 177.8 | 0 | 111.5 | E411 D415 | E411-K413 PolarHBondContact O-N 3.33Å; K413-D415 PolarHBondContact O-N 3.46Å |
| 414 | D | 46.1 | Very low | 45 | Very low | 160 Ų | 160 | 125.7 Ų | 125.7 | 86% | 0.856 | 68% | 0.676 | S | S | * | * | | | trans | -67 | 83.2 | 159 | -76.7 | -44.2 | 0 | 0 | 0 | 109 | D416 | D414-D416 PolarHBondContact O-N 2.66Š|
| 415 | D | 65.9 | Low | 45 | Very low | 136 Ų | 136 | 129.9 Ų | 129.9 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | | | trans | -74.8 | 69 | 170 | -93.7 | -32.5 | 0 | 0 | 0 | 110.4 | K413 T417 | K413-D415 PolarHBondContact O-N 3.46Å; D415-T417 PolarHBondContact O-N 2.81Å |
| 416 | D | 59.1 | Low | 45.2 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 86% | 0.861 | 71% | 0.707 | S | S | * | * | | | trans | -71.2 | 43 | 172.8 | -120.8 | -4.2 | 0 | 0 | 0 | 111.4 | D414 | D414-D416 PolarHBondContact O-N 2.66Š|
| 417 | T | 51.9 | Low | 45.5 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | | | trans | -105.5 | 84.4 | -180 | -58.9 | 0 | 0 | 0 | 0 | 111 | D415 G419 | D415-T417 PolarHBondContact O-N 2.81Å; T417-G419 PolarHBondContact O-N 2.91Å; T417-G419 VanDerWaalsContact O-N 3.14Å |
| 418 | Y | 41.2 | Very low | 45.3 | Very low | 213 Ų | 213 | 132.7 Ų | 132.7 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | | | trans | -62.2 | 102.9 | 175 | -164.5 | -98 | 0 | 0 | 0 | 112 | E420 | Y418-E420 HydrophobicContact CE1-CG 4.45Š|
| 419 | G | 41.4 | Very low | 45.5 | Very low | 53 Ų | 53 | 132 Ų | 132 | 55% | 0.546 | 72% | 0.721 | S | S | . | * | | | trans | -120.6 | 96.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | T417 K1394 | T417-G419 PolarHBondContact O-N 2.91Å; T417-G419 VanDerWaalsContact O-N 3.14Å; G419-K1394 WeakPolarHBondContact O-CG 3.35Å |
| 420 | E | 41.8 | Very low | 45.6 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 44% | 0.444 | 72% | 0.717 | S | S | . | * | | | trans | -87.6 | 158.1 | 174.8 | -76.4 | -65.1 | 158.6 | 0 | 0 | 113.6 | Y418 K1393 K1394 | Y418-E420 HydrophobicContact CE1-CG 4.45Å; E420-K1393 WeakPolarHBondContact O-CE 3.24Å; E420-K1394 VanDerWaalsContact CD-CE 3.41Å; E420-K1394 VanDerWaalsContact OE1-CE 3.31Å; E420-K1394 WeakPolarHBondContact OE1-CE 3.38Å; E420-K1394 IonicContact OE1-NZ 3.66Å; E420-K1394 PolarHBondContact OE1-NZ 2.96Å; E420-K1394 WeakPolarHBondContact OE2-CE 3.37Å; E420-K1394 IonicContact OE2-NZ 3.28Å; E420-K1394 PolarHBondContact OE2-NZ 3.37Å |
| 421 | E | 41.7 | Very low | 45.4 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 52% | 0.519 | 72% | 0.715 | S | S | . | * | | | cis | -133.1 | -166.4 | -15.1 | 70.6 | -96.1 | 87.5 | 0 | 0 | 109.3 | K1393 | E421-K1393 WeakPolarHBondContact O-CB 3.42Å; E421-K1393 WeakPolarHBondContact O-CD 3.46Å; E421-K1393 VanDerWaalsContact O-CE 3.3Å; E421-K1393 WeakPolarHBondContact O-CE 3.26Å; E421-K1393 WeakPolarHBondContact O-CG 3.41Å; E421-K1393 PolarHBondContact O-NZ 2.9Å; E421-K1393 WeakPolarHBondContact OE1-CE 3.34Å; E421-K1393 IonicContact OE1-NZ 3.52Å; E421-K1393 PolarHBondContact OE1-NZ 2.88Å |
| 422 | S | 41.3 | Very low | 45.3 | Very low | 49 Ų | 49 | 131.7 Ų | 131.7 | 34% | 0.343 | 71% | 0.711 | S | S | . | * | | | trans | 65.2 | 120.3 | 174.6 | 53.7 | 0 | 0 | 0 | 0 | 117.4 | K1393 K1394 | S422-K1393 PolarHBondContact OG-NZ 3.07Å; S422-K1394 WeakPolarHBondContact O-CB 3.49Å; S422-K1394 PolarHBondContact O-N 3.41Å; S422-K1394 VanDerWaalsContact O-N 3.16Å |
| 423 | E | 43.4 | Very low | 44.7 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | | | cis | 65.9 | 100.1 | 35.1 | -48.7 | 165.8 | -155.8 | 0 | 0 | 115 | K1394 | E423-K1394 PolarHBondContact N-O 2.64Š|
| 424 | E | 43.5 | Very low | 43.7 | Very low | 199 Ų | 199 | 129.9 Ų | 129.9 | 93% | 0.93 | 71% | 0.712 | S | S | * | * | | | trans | -178.6 | 108.9 | 139.4 | 53.4 | -173.2 | 172.3 | 0 | 0 | 112.8 | | |
| 425 | N | 41 | Very low | 43.1 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | | | trans | -159.7 | 92.1 | 144.9 | -171.4 | 83.3 | 0 | 0 | 0 | 110.6 | G427 | N425-G427 PolarHBondContact O-N 3.44Š|
| 426 | E | 45.2 | Very low | 41.8 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | | | trans | -55.9 | 125.2 | 169.2 | -72.9 | -73.5 | 159.4 | 0 | 0 | 110.6 | | |
| 427 | G | 43.5 | Very low | 40.8 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 72% | 0.721 | S | S | * | * | | | trans | -142.3 | 43.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N425 L429 | N425-G427 PolarHBondContact O-N 3.44Å; G427-L429 PolarHBondContact O-N 3.07Å |
| 428 | V | 38.1 | Very low | 40.1 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | | | trans | -67.1 | 128.7 | -178 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 429 | L | 44.7 | Very low | 39.7 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | | | trans | -144.1 | 133.3 | 162.3 | -155.4 | 142.9 | 0 | 0 | 0 | 110.3 | G427 | G427-L429 PolarHBondContact O-N 3.07Š|
| 430 | E | 40.1 | Very low | 39.2 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 66% | 0.659 | 74% | 0.735 | S | S | * | * | | | trans | -30.2 | 156.7 | 166.2 | -35 | -59.2 | 175.6 | 0 | 0 | 115.2 | | |
| 431 | E | 37.5 | Very low | 38.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | cis | -167 | -175.8 | -1.6 | -130.4 | 179.8 | 168.3 | 0 | 0 | 108.1 | | |
| 432 | S | 42.3 | Very low | 38.2 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | 55.3 | 100.8 | 160.1 | -61.6 | 0 | 0 | 0 | 0 | 118 | | |
| 433 | S | 34.8 | Very low | 37.7 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | | 60.3 | 89.8 | 69.3 | 86.1 | 0 | 0 | 0 | 0 | 117 | | |
| 434 | S | 34.2 | Very low | 37.1 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | | -176.3 | 109.2 | 120.4 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | N436 | S434-N436 PolarHBondContact O-N 2.92Š|
| 435 | E | 32.7 | Very low | 36.6 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | -77 | 104.8 | 168.3 | -64.4 | 170.3 | 116.9 | 0 | 0 | 109.4 | | |
| 436 | N | 39.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | -125.9 | 83.1 | 169.3 | -105.8 | -14.4 | 0 | 0 | 0 | 109.2 | S434 A438 | S434-N436 PolarHBondContact O-N 2.92Å; N436-A438 PolarHBondContact O-N 3.37Å |
| 437 | E | 37.2 | Very low | 35.6 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 95% | 0.949 | 77% | 0.769 | S | S | * | * | | | trans | -75.3 | 112.2 | 168.2 | -74.1 | -167.3 | 165.6 | 0 | 0 | 109.9 | | |
| 438 | A | 37.1 | Very low | 35.2 | Very low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -144.8 | 61.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | N436 S440 | N436-A438 PolarHBondContact O-N 3.37Å; A438-S440 PolarHBondContact O-N 3.28Å |
| 439 | D | 32.4 | Very low | 35 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | | | trans | -68.8 | 93.7 | 172.9 | -115.4 | -20.3 | 0 | 0 | 0 | 111 | | |
| 440 | S | 32.2 | Very low | 34.5 | Very low | 102 Ų | 102 | 144.9 Ų | 144.9 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | -169.1 | 154.1 | 153.6 | -148.7 | 0 | 0 | 0 | 0 | 113.5 | A438 | A438-S440 PolarHBondContact O-N 3.28Š|
| 441 | S | 31 | Very low | 34.1 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | | | trans | 41.4 | 98.2 | 160 | 49.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 442 | R | 29.8 | Very low | 33.8 | Very low | 256 Ų | 256 | 143.7 Ų | 143.7 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | | | | 42.4 | 77.4 | 64.5 | -165.8 | -173.2 | -178.9 | 170.4 | 2.1 | 111.9 | | |
| 443 | E | 32.7 | Very low | 33.3 | Very low | 169 Ų | 169 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -132.9 | 159.8 | 170.1 | -135.4 | -171.4 | 157.8 | 0 | 0 | 110.3 | | |
| 444 | T | 29.7 | Very low | 33.2 | Very low | 107 Ų | 107 | 152.7 Ų | 152.7 | 66% | 0.656 | 80% | 0.804 | S | S | * | * | | | trans | 47.9 | 83.5 | 153.4 | -50.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 445 | V | 33.1 | Very low | 33.1 | Very low | 130 Ų | 130 | 151.1 Ų | 151.1 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | | | | 77.1 | 118.8 | 89.1 | 167.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 446 | D | 35.8 | Very low | 33.1 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -132.9 | 122.3 | 144.6 | -164 | -6.9 | 0 | 0 | 0 | 109.5 | | |
| 447 | S | 28.9 | Very low | 32.7 | Very low | 84 Ų | 84 | 148 Ų | 148 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | | | trans | -175.8 | 113.2 | 170.5 | 173 | 0 | 0 | 0 | 0 | 106.8 | | |
| 448 | N | 35.7 | Very low | 32.6 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | | 174.7 | 126.9 | 126.4 | -84.5 | -22.9 | 0 | 0 | 0 | 111.5 | | |
| 449 | Q | 34.8 | Very low | 32.4 | Very low | 201 Ų | 201 | 148.5 Ų | 148.5 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | | | trans | -117.6 | 159.1 | 140.4 | -74.7 | -163.5 | 2.7 | 0 | 0 | 109 | | |
| 450 | Q | 32.5 | Very low | 32.4 | Very low | 177 Ų | 177 | 148.2 Ų | 148.2 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | trans | -116.5 | 121.4 | -152.5 | 173.2 | -176.5 | -31 | 0 | 0 | 112.6 | | |
| 451 | S | 32.2 | Very low | 32.4 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -155.4 | 166.8 | 155.7 | 67.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 452 | Q | 32 | Very low | 32.4 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | -133.3 | 164.2 | -160.4 | -54 | 179.3 | -17.5 | 0 | 0 | 114.5 | | |
| 453 | K | 31.6 | Very low | 32.4 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 82% | 0.817 | 77% | 0.767 | S | S | * | * | | | trans | 66.1 | 93 | 158.2 | -61.9 | 170.2 | -177.8 | 173.8 | 0 | 118.3 | | |
| 454 | K | 31.8 | Very low | 32.3 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | | | | -172.1 | 156.9 | 108.2 | -121.1 | 176.8 | 176.9 | 177.6 | 0 | 113.5 | | |
| 455 | A | 32.2 | Very low | 32.1 | Very low | 75 Ų | 75 | 146.3 Ų | 146.3 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | | | trans | 60.8 | 110.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 456 | N | 32.3 | Very low | 32 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | | | trans | 70.1 | 142.6 | 139.8 | -48.3 | -11.5 | 0 | 0 | 0 | 119.5 | | |
| 457 | N | 32.7 | Very low | 31.5 | Very low | 135 Ų | 135 | 146 Ų | 146 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | cis | -162.5 | 137.4 | -30.7 | -106.9 | -19.2 | 0 | 0 | 0 | 108.1 | | |
| 458 | L | 34.4 | Very low | 31.4 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | | 38.4 | 94.4 | 128.3 | -143.8 | 73.2 | 0 | 0 | 0 | 116.9 | | |
| 459 | L | 32.1 | Very low | 30.9 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | | 76.8 | 143.4 | 80.9 | -88.6 | 166.5 | 0 | 0 | 0 | 116.3 | | |
| 460 | E | 32.8 | Very low | 30.7 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | 93.9 | 136.3 | 146.2 | -160.8 | 146.9 | -140 | 0 | 0 | 121.7 | | |
| 461 | S | 33.6 | Very low | 30.5 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | | | trans | 71.1 | 106.3 | 155.4 | -78.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 462 | K | 30.3 | Very low | 30.2 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | | 52.4 | 112.8 | 113.9 | -81.2 | -177.7 | 175.4 | 176.1 | 0 | 120.5 | | |
| 463 | S | 30 | Very low | 30 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | | 39.5 | 109.8 | 125.4 | 65.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 464 | S | 30.5 | Very low | 29.8 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 84 | 147.3 | 142 | 84.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 465 | K | 25.9 | Very low | 29.7 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | 82.4 | 81.2 | 149.8 | -142.6 | 158.7 | -169.4 | 171.3 | 0 | 119.2 | | |
| 466 | V | 29.8 | Very low | 29.4 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | 53.1 | 106.5 | 128.9 | -177 | 0 | 0 | 0 | 0 | 117 | | |
| 467 | Q | 25.5 | Very low | 29.2 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | | | trans | -135.8 | 150.2 | 144.3 | -77.4 | -157.3 | 0.4 | 0 | 0 | 111.4 | | |
| 468 | K | 26.8 | Very low | 29.3 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | | | trans | 64.1 | 79.2 | 157.7 | -68.8 | 149.6 | -177.5 | 157.2 | 0 | 116.4 | | |
| 469 | T | 25.9 | Very low | 29.2 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | | | | -13.5 | 128.4 | 123.9 | 48.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 470 | S | 30.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -124.9 | 121.4 | 161.1 | -67 | 0 | 0 | 0 | 0 | 110.9 | | |
| 471 | T | 28.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | 57.7 | 79.9 | 138.8 | -35.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 472 | S | 24.8 | Very low | 29.4 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | | 6.2 | 127.2 | 128.7 | 55.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 473 | S | 28.9 | Very low | 29.6 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -155.7 | 109.6 | 143.1 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 474 | T | 26.4 | Very low | 30.1 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | | | trans | 30.3 | 118.4 | 142.6 | 56.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 475 | S | 29.5 | Very low | 30.7 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | | -178.4 | 149.8 | 102.4 | -167 | 0 | 0 | 0 | 0 | 112.2 | | |
| 476 | N | 26.1 | Very low | 31 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -110 | 138.1 | -177.1 | -65.7 | -61.3 | 0 | 0 | 0 | 112.2 | | |
| 477 | R | 27.7 | Very low | 31.5 | Very low | 246 Ų | 246 | 141.7 Ų | 141.7 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | | | trans | -168.7 | 157.1 | 131.8 | -121.4 | -179.2 | -177.3 | -145.6 | -1.4 | 116.7 | | |
| 478 | V | 35.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | 71.7 | 95.9 | 166.6 | -172.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 479 | A | 32.9 | Very low | 32.8 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 43.1 | 100.6 | 136.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 480 | A | 33.1 | Very low | 33.4 | Very low | 93 Ų | 93 | 139 Ų | 139 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -70.8 | 174.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 481 | E | 34.7 | Very low | 33.9 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | 62.5 | 84.4 | 170.2 | -52.5 | -150.2 | 108.1 | 0 | 0 | 116.6 | K483 | E481-K483 HydrophobicContact CB-CB 4.29Å; E481-K483 HydrophobicContact CB-CD 4.11Å; E481-K483 HydrophobicContact CG-CD 4.35Å; E481-K483 PolarHBondContact O-N 3.12Å; E481-K483 VanDerWaalsContact OE1-CD 3.26Å; E481-K483 WeakPolarHBondContact OE1-CD 3.49Å; E481-K483 WeakPolarHBondContact OE1-CE 3.5Å; E481-K483 IonicContact OE1-NZ 2.64Å; E481-K483 PolarHBondContact OE1-NZ 3.16Å; E481-K483 VanDerWaalsContact OE2-CD 3.24Å; E481-K483 WeakPolarHBondContact OE2-CD 3.37Å; E481-K483 IonicContact OE2-NZ 2.81Å; E481-K483 PolarHBondContact OE2-NZ 2.82Å |
| 482 | G | 34.2 | Very low | 34.1 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 92% | 0.918 | 77% | 0.771 | S | S | * | * | | | trans | -62.1 | 68.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R484 | G482-R484 PolarHBondContact O-N 3.17Š|
| 483 | K | 35.6 | Very low | 34.6 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 59% | 0.591 | 77% | 0.769 | S | S | * | * | | | trans | -68.1 | 125.3 | -175.6 | -153.8 | 93.6 | 169.6 | -167.6 | 0 | 109.2 | E481 R485 | E481-K483 HydrophobicContact CB-CB 4.29Å; E481-K483 HydrophobicContact CB-CD 4.11Å; E481-K483 HydrophobicContact CG-CD 4.35Å; E481-K483 PolarHBondContact O-N 3.12Å; E481-K483 VanDerWaalsContact OE1-CD 3.26Å; E481-K483 WeakPolarHBondContact OE1-CD 3.49Å; E481-K483 WeakPolarHBondContact OE1-CE 3.5Å; E481-K483 IonicContact OE1-NZ 2.64Å; E481-K483 PolarHBondContact OE1-NZ 3.16Å; E481-K483 VanDerWaalsContact OE2-CD 3.24Å; E481-K483 WeakPolarHBondContact OE2-CD 3.37Å; E481-K483 IonicContact OE2-NZ 2.81Å; E481-K483 PolarHBondContact OE2-NZ 2.82Å; K483-R485 PolarHBondContact O-N 3.48Å |
| 484 | R | 40.4 | Very low | 34.9 | Very low | 226 Ų | 226 | 140.1 Ų | 140.1 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | | | trans | -51.3 | 103.1 | 173.3 | -64.5 | 160.1 | 62.6 | 153.5 | 0.9 | 110.1 | G482 | G482-R484 PolarHBondContact O-N 3.17Š|
| 485 | R | 41.3 | Very low | 35.4 | Very low | 233 Ų | 233 | 140.6 Ų | 140.6 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | | | trans | -87.1 | 129.5 | 161.4 | -68 | -173.5 | -176.3 | 171.7 | 2.5 | 107.6 | K483 V487 | K483-R485 PolarHBondContact O-N 3.48Å; R485-V487 PolarHBondContact O-N 2.95Å |
| 486 | H | 33 | Very low | 35.6 | Very low | 141 Ų | 141 | 143 Ų | 143 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | | | trans | -63.5 | 126.8 | 168.6 | -81.2 | -143.3 | 0 | 0 | 0 | 108.7 | E488 | H486-E488 HydrophobicContact CB-CG 4.47Å; H486-E488 IonicContact CE1-OE1 3.62Å; H486-E488 IonicContact CG-OE1 2.66Å; H486-E488 IonicContact ND1-OE1 3.15Å; H486-E488 PolarHBondContact ND1-OE1 3.05Å |
| 487 | V | 40.5 | Very low | 36.4 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | | | trans | -118.9 | 93.3 | 151.8 | 178 | 0 | 0 | 0 | 0 | 104.8 | R485 V489 | R485-V487 PolarHBondContact O-N 2.95Å; V487-V489 HydrophobicContact CG1-CG2 4.31Å; V487-V489 PolarHBondContact O-N 3.3Å |
| 488 | E | 37.9 | Very low | 36.6 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 67% | 0.673 | 75% | 0.752 | S | S | * | * | | | trans | -76.3 | 112.8 | 172 | -73.1 | 161.3 | -157.1 | 0 | 0 | 107.7 | H486 | H486-E488 HydrophobicContact CB-CG 4.47Å; H486-E488 IonicContact CE1-OE1 3.62Å; H486-E488 IonicContact CG-OE1 2.66Å; H486-E488 IonicContact ND1-OE1 3.15Å; H486-E488 PolarHBondContact ND1-OE1 3.05Å |
| 489 | V | 40.6 | Very low | 36.5 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | | | trans | -100.5 | 115.4 | 160.2 | -177.3 | 0 | 0 | 0 | 0 | 106.3 | V487 | V487-V489 HydrophobicContact CG1-CG2 4.31Å; V487-V489 PolarHBondContact O-N 3.3Å |
| 490 | L | 40.4 | Very low | 36.6 | Very low | 125 Ų | 125 | 138 Ų | 138 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | | | trans | -63.7 | 149.3 | -174.8 | -66.4 | 160 | 0 | 0 | 0 | 110.9 | T492 | L490-T492 WeakPolarHBondContact CB-OG1 3.46Å; L490-T492 PolarHBondContact O-N 3.14Å |
| 491 | P | 40.7 | Very low | 36.3 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | trans | -70.4 | 60.7 | 169.6 | -19.3 | 34.1 | 0 | 0 | 0 | 113 | | |
| 492 | T | 32.1 | Very low | 35.9 | Very low | 94 Ų | 94 | 144 Ų | 144 | 58% | 0.577 | 77% | 0.765 | S | S | * | * | | | trans | -92.1 | 142.1 | 178 | -38.7 | 0 | 0 | 0 | 0 | 110 | L490 | L490-T492 WeakPolarHBondContact CB-OG1 3.46Å; L490-T492 PolarHBondContact O-N 3.14Å |
| 493 | D | 34.7 | Very low | 35.7 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 52.7 | 59.6 | 174.4 | -54 | -26.6 | 0 | 0 | 0 | 114.7 | | |
| 494 | T | 35.2 | Very low | 35.9 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | | | | 57.4 | 122 | 80.4 | 81.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 495 | L | 37.1 | Very low | 35.7 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | 49.5 | 104.1 | 151 | -55 | 174.1 | 0 | 0 | 0 | 117.9 | P497 | L495-P497 VanDerWaalsContact O-CD 3.28Å; L495-P497 WeakPolarHBondContact O-CD 3.48Å |
| 496 | L | 34.3 | Very low | 35.5 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | | | trans | -67.5 | 117.8 | 135.1 | -76.3 | 176.1 | 0 | 0 | 0 | 107.6 | | |
| 497 | P | 42.5 | Very low | 35.3 | Very low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | | | trans | -69.3 | 137.8 | 171.2 | -13.8 | 30.3 | 0 | 0 | 0 | 109.3 | L495 S499 | L495-P497 VanDerWaalsContact O-CD 3.28Å; L495-P497 WeakPolarHBondContact O-CD 3.48Å; P497-S499 PolarHBondContact O-N 2.82Å; P497-S499 VanDerWaalsContact O-N 3.11Å |
| 498 | M | 32.6 | Very low | 35.3 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | | | trans | -71.1 | 105.9 | 168.5 | -64 | -170 | -54.2 | 0 | 0 | 109.7 | T500 | M498-T500 PolarHBondContact O-N 2.71Š|
| 499 | S | 33 | Very low | 34.9 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 33.6 | 58.5 | 145 | 63.3 | 0 | 0 | 0 | 0 | 117.9 | P497 | P497-S499 PolarHBondContact O-N 2.82Å; P497-S499 VanDerWaalsContact O-N 3.11Å |
| 500 | T | 33.8 | Very low | 34.8 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | trans | -134.1 | 127.1 | 150.6 | 55.6 | 0 | 0 | 0 | 0 | 104.7 | M498 | M498-T500 PolarHBondContact O-N 2.71Š|
| 501 | E | 28.8 | Very low | 34.8 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | cis | -152.3 | 130.7 | 45.2 | -175.6 | 162.5 | -128.7 | 0 | 0 | 109.7 | D503 | E501-D503 PolarHBondContact O-N 3.25Š|
| 502 | F | 25.7 | Very low | 34.4 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | | | trans | -96.5 | 63.3 | -179 | -161.5 | -93.9 | 0 | 0 | 0 | 110.4 | H504 | F502-H504 HydrophobicContact CD1-CB 4.11Å; F502-H504 HydrophobicContact CE1-CB 3.83Å; F502-H504 AromaticContact CE1-CD2 3.45Å; F502-H504 VanDerWaalsContact CE1-CD2 3.45Å; F502-H504 WeakPolarHBondContact CE1-CD2 3.17Å; F502-H504 AromaticContact CE1-CG 3.61Å; F502-H504 AromaticContact CE2-NE2 3.94Å; F502-H504 AromaticContact CZ-CD2 3.31Å; F502-H504 WeakPolarHBondContact CZ-CD2 3.35Å; F502-H504 AromaticContact CZ-CG 3.88Å; F502-H504 AromaticContact CZ-NE2 3.6Å; F502-H504 PolarHBondContact O-N 3.35Å |
| 503 | D | 30.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -77.1 | 107.5 | 171.3 | -166.1 | -7.3 | 0 | 0 | 0 | 109.3 | E501 E505 | E501-D503 PolarHBondContact O-N 3.25Å; D503-E505 PolarHBondContact OD1-N 2.88Å |
| 504 | H | 39.9 | Very low | 34.9 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 65% | 0.648 | 77% | 0.773 | S | S | * | * | | | trans | -129.5 | 38.4 | 179.9 | -90.9 | 24 | 0 | 0 | 0 | 111 | F502 | F502-H504 HydrophobicContact CD1-CB 4.11Å; F502-H504 HydrophobicContact CE1-CB 3.83Å; F502-H504 AromaticContact CE1-CD2 3.45Å; F502-H504 VanDerWaalsContact CE1-CD2 3.45Å; F502-H504 WeakPolarHBondContact CE1-CD2 3.17Å; F502-H504 AromaticContact CE1-CG 3.61Å; F502-H504 AromaticContact CE2-NE2 3.94Å; F502-H504 AromaticContact CZ-CD2 3.31Å; F502-H504 WeakPolarHBondContact CZ-CD2 3.35Å; F502-H504 AromaticContact CZ-CG 3.88Å; F502-H504 AromaticContact CZ-NE2 3.6Å; F502-H504 PolarHBondContact O-N 3.35Å |
| 505 | E | 35 | Very low | 34.8 | Very low | 158 Ų | 158 | 143 Ų | 143 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | 139.9 | 163.9 | -88.3 | -63.3 | 156.7 | 0 | 0 | 111.9 | D503 | D503-E505 PolarHBondContact OD1-N 2.88Š|
| 506 | R | 37.1 | Very low | 34.9 | Very low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.8 | 9.5 | 170.9 | -51.5 | -178.9 | -175.3 | -177.1 | 2.4 | 121 | | |
| 507 | G | 29.5 | Very low | 35 | Very low | 67 Ų | 67 | 138.9 Ų | 138.9 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | | | trans | 47 | -146.1 | 142 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 508 | P | 40.1 | Very low | 34.6 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | cis | -107.2 | 117.6 | -10.6 | 35.2 | -22.3 | 0 | 0 | 0 | 112.5 | L510 | P508-L510 PolarHBondContact O-N 3.46Š|
| 509 | L | 30.5 | Very low | 34.6 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | | | trans | -73.5 | 109.3 | 162.4 | -77 | 173.5 | 0 | 0 | 0 | 109.1 | | |
| 510 | L | 37.5 | Very low | 34.7 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 152.3 | 169.3 | -76 | 170.1 | 0 | 0 | 0 | 110.5 | P508 | P508-L510 PolarHBondContact O-N 3.46Š|
| 511 | P | 39.6 | Very low | 34.6 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -75 | 151.4 | -142.5 | -22.3 | 34.8 | 0 | 0 | 0 | 115.2 | | |
| 512 | T | 32.3 | Very low | 34.8 | Very low | 128 Ų | 128 | 152.2 Ų | 152.2 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 128.7 | 156.6 | 34.5 | 0 | 0 | 0 | 0 | 109.4 | V514 | T512-V514 PolarHBondContact O-N 2.93Å; T512-V514 VanDerWaalsContact O-N 3.11Å |
| 513 | P | 41.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 152 Ų | 152 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 116.3 | 175.4 | 26.2 | -32.4 | 0 | 0 | 0 | 108.8 | | |
| 514 | V | 36 | Very low | 35.3 | Very low | 120 Ų | 120 | 157.5 Ų | 157.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 141.6 | 175.1 | 174.4 | 0 | 0 | 0 | 0 | 109.4 | T512 V516 | T512-V514 PolarHBondContact O-N 2.93Å; T512-V514 VanDerWaalsContact O-N 3.11Å; V514-V516 WeakPolarHBondContact O-CG2 3.23Å; V514-V516 PolarHBondContact O-N 3.38Å |
| 515 | D | 34.5 | Very low | 34.8 | Very low | 154 Ų | 154 | 157.9 Ų | 157.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | -61.1 | 96.8 | 170.6 | -168.3 | 8.1 | 0 | 0 | 0 | 109 | D517 | D515-D517 PolarHBondContact O-N 3.21Š|
| 516 | V | 39.2 | Very low | 34.7 | Very low | 129 Ų | 129 | 155.7 Ų | 155.7 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | | | trans | -73.2 | 96.3 | -173.9 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | V514 R518 | V514-V516 WeakPolarHBondContact O-CG2 3.23Å; V514-V516 PolarHBondContact O-N 3.38Å; V516-R518 PolarHBondContact O-N 3.34Å |
| 517 | D | 36.1 | Very low | 34.2 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 58% | 0.578 | 78% | 0.782 | S | S | * | * | | | trans | -43.1 | 137.8 | -177.8 | -173.8 | 11.1 | 0 | 0 | 0 | 111.4 | D515 R519 | D515-D517 PolarHBondContact O-N 3.21Å; D517-R519 PolarHBondContact O-N 2.64Å |
| 518 | R | 34.6 | Very low | 34.2 | Very low | 245 Ų | 245 | 151.1 Ų | 151.1 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -76.2 | 30.2 | -156.7 | -147.3 | 174.4 | -172.4 | -179.4 | 2.2 | 113.4 | V516 | V516-R518 PolarHBondContact O-N 3.34Š|
| 519 | R | 31.4 | Very low | 33.9 | Very low | 193 Ų | 193 | 154.1 Ų | 154.1 | 73% | 0.728 | 80% | 0.797 | S | S | * | * | | | trans | -134 | 21.6 | -158.9 | -72.6 | -176.5 | 175.1 | 161.7 | -0.5 | 115.4 | D517 | D517-R519 PolarHBondContact O-N 2.64Š|
| 520 | H | 34.9 | Very low | 34.1 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -147.1 | 84.6 | 156.8 | -81.6 | -33.2 | 0 | 0 | 0 | 113.4 | R522 | H520-R522 PolarHBondContact O-N 3.14Š|
| 521 | L | 32.3 | Very low | 33.8 | Very low | 147 Ų | 147 | 151.1 Ų | 151.1 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -71 | 74.9 | 163.4 | -173.9 | 67.7 | 0 | 0 | 0 | 110.1 | F523 | L521-F523 HydrophobicContact CD1-CE2 4.5Å; L521-F523 HydrophobicContact CD2-CE2 3.79Å; L521-F523 HydrophobicContact CD2-CZ 3.96Å; L521-F523 HydrophobicContact CG-CD2 4.28Å; L521-F523 HydrophobicContact CG-CE2 3.83Å; L521-F523 HydrophobicContact CG-CZ 4.21Å |
| 522 | R | 31.7 | Very low | 33.3 | Very low | 221 Ų | 221 | 153 Ų | 153 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | -99 | 90.2 | 171.8 | -79 | -74.9 | -178.5 | 158.8 | -1.7 | 108.9 | H520 R524 | H520-R522 PolarHBondContact O-N 3.14Å; R522-R524 PolarHBondContact O-N 2.75Å |
| 523 | F | 34.3 | Very low | 33.1 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -46.5 | 131.9 | 174.4 | -68.6 | -94.1 | 0 | 0 | 0 | 112 | L521 | L521-F523 HydrophobicContact CD1-CE2 4.5Å; L521-F523 HydrophobicContact CD2-CE2 3.79Å; L521-F523 HydrophobicContact CD2-CZ 3.96Å; L521-F523 HydrophobicContact CG-CD2 4.28Å; L521-F523 HydrophobicContact CG-CE2 3.83Å; L521-F523 HydrophobicContact CG-CZ 4.21Å |
| 524 | R | 32.4 | Very low | 32.4 | Very low | 234 Ų | 234 | 155.4 Ų | 155.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -141.7 | 126.2 | 156.9 | -148.7 | 173.2 | -164.3 | 155.7 | 8.3 | 109.2 | R522 | R522-R524 PolarHBondContact O-N 2.75Š|
| 525 | N | 30.5 | Very low | 31.9 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -74.4 | 135.5 | -164.2 | -54.9 | -17.9 | 0 | 0 | 0 | 111.4 | | |
| 526 | A | 31.9 | Very low | 31.5 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | | | trans | -128.1 | 71.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 527 | G | 27.1 | Very low | 30.9 | Very low | 58 Ų | 58 | 150.7 Ų | 150.7 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | | | trans | -167.2 | 151.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 528 | N | 30.6 | Very low | 30.7 | Very low | 149 Ų | 149 | 151.7 Ų | 151.7 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | 70.7 | 81.7 | 179.7 | -55.7 | 6.1 | 0 | 0 | 0 | 116.2 | | |
| 529 | D | 33.1 | Very low | 30.5 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 97% | 0.973 | 80% | 0.802 | S | S | * | * | | | | -110 | 67.8 | 129.4 | -90 | -46.8 | 0 | 0 | 0 | 108.2 | | |
| 530 | L | 34.3 | Very low | 30.7 | Very low | 158 Ų | 158 | 141 Ų | 141 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | -110 | 134.7 | 164 | -96.6 | 174.2 | 0 | 0 | 0 | 108.5 | | |
| 531 | S | 32.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -80.5 | 127.2 | -164 | 37.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 532 | L | 28.2 | Very low | 30.3 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | | 58.1 | 78.3 | 124.1 | -158.3 | 86.8 | 0 | 0 | 0 | 117.5 | | |
| 533 | F | 29 | Very low | 30.5 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | | -175.1 | 140 | 105.4 | -114 | -84.3 | 0 | 0 | 0 | 112.1 | | |
| 534 | P | 25.4 | Very low | 30.6 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | | | trans | -89 | 125.9 | 170.1 | 15 | 0.9 | 0 | 0 | 0 | 111.3 | | |
| 535 | G | 25.9 | Very low | 31.2 | Very low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -154.7 | 99.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 536 | C | 26.4 | Very low | 31.7 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | | | trans | 49.1 | 95.7 | 165.1 | -60.1 | 0 | 0 | 0 | 0 | 118 | T538 | C536-T538 PolarHBondContact O-N 3.36Š|
| 537 | A | 27.2 | Very low | 32 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | | | trans | -71.9 | 106.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 538 | T | 31.6 | Very low | 32.6 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -132.1 | 132.7 | 156.3 | 36.3 | 0 | 0 | 0 | 0 | 107.9 | C536 | C536-T538 PolarHBondContact O-N 3.36Š|
| 539 | A | 30 | Very low | 32.9 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | trans | -70 | 140.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H541 | A539-H541 PolarHBondContact O-N 3.24Š|
| 540 | P | 35.2 | Very low | 33.3 | Very low | 122 Ų | 122 | 116 Ų | 116 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | | | trans | -65.1 | 107.7 | 171.5 | 27.2 | -32.9 | 0 | 0 | 0 | 109.2 | I542 | P540-I542 PolarHBondContact O-N 3.46Å; P540-I542 VanDerWaalsContact O-N 3.13Å |
| 541 | H | 28.9 | Very low | 33.6 | Very low | 152 Ų | 152 | 114.8 Ų | 114.8 | 70% | 0.704 | 70% | 0.704 | S | S | * | * | | | trans | -60.2 | 112.5 | -179.7 | 174.3 | -72.4 | 0 | 0 | 0 | 110.3 | A539 | A539-H541 PolarHBondContact O-N 3.24Š|
| 542 | I | 31.1 | Very low | 34.1 | Very low | 149 Ų | 149 | 117.7 Ų | 117.7 | 76% | 0.764 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 123 | 177.3 | -61.8 | 172.9 | 0 | 0 | 0 | 108.3 | P540 N544 | P540-I542 PolarHBondContact O-N 3.46Å; P540-I542 VanDerWaalsContact O-N 3.13Å; I542-N544 PolarHBondContact O-N 3.18Å |
| 543 | P | 35.9 | Very low | 34.5 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 129 | -170.3 | 24 | -33.6 | 0 | 0 | 0 | 110.9 | V545 | P543-V545 PolarHBondContact O-N 2.8Š|
| 544 | N | 35.8 | Very low | 34.6 | Very low | 114 Ų | 114 | 108.7 Ų | 108.7 | 61% | 0.61 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 129.8 | -174.4 | -166 | -9.1 | 0 | 0 | 0 | 109.8 | I542 L546 E547 | I542-N544 PolarHBondContact O-N 3.18Å; N544-L546 PolarHBondContact O-N 2.91Å; N544-E547 PolarHBondContact O-N 3.16Å; N544-E547 VanDerWaalsContact O-N 3.12Å |
| 545 | V | 44.9 | Very low | 34.8 | Very low | 115 Ų | 115 | 109.9 Ų | 109.9 | 70% | 0.697 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -60.2 | -17 | -166.4 | -160.9 | 0 | 0 | 0 | 0 | 113.2 | P543 E547 A548 A549 | P543-V545 PolarHBondContact O-N 2.8Å; V545-E547 VanDerWaalsContact C-N 3.3Å; V545-E547 PolarHBondContact O-N 2.88Å; V545-A548 PolarHBondContact O-N 2.95Å; V545-A549 PolarHBondContact O-N 3.37Å |
| 546 | L | 40.3 | Very low | 35 | Very low | 139 Ų | 139 | 111.7 Ų | 111.7 | 73% | 0.728 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -59.2 | -34.1 | 175.8 | -157 | 71.4 | 0 | 0 | 0 | 113.6 | N544 A549 A550 | N544-L546 PolarHBondContact O-N 2.91Å; L546-A549 PolarHBondContact O-N 2.64Å; L546-A550 PolarHBondContact O-N 3.05Å |
| 547 | E | 38.5 | Very low | 35.3 | Very low | 135 Ų | 135 | 111.7 Ų | 111.7 | 63% | 0.631 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.8 | -38.9 | 178.3 | -172.3 | 172.5 | -155.3 | 0 | 0 | 111.8 | N544 V545 A549 A550 L551 | N544-E547 PolarHBondContact O-N 3.16Å; N544-E547 VanDerWaalsContact O-N 3.12Å; V545-E547 VanDerWaalsContact C-N 3.3Å; V545-E547 PolarHBondContact O-N 2.88Å; E547-A549 VanDerWaalsContact C-N 3.29Å; E547-A549 PolarHBondContact O-N 3.42Å; E547-A550 WeakPolarHBondContact O-CB 3.42Å; E547-A550 PolarHBondContact O-N 3.08Å; E547-A550 VanDerWaalsContact O-N 3.14Å; E547-L551 PolarHBondContact O-N 3.07Å |
| 548 | A | 39.1 | Very low | 35.2 | Very low | 57 Ų | 57 | 112.2 Ų | 112.2 | 47% | 0.471 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -62.8 | -37.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V545 L551 M552 | V545-A548 PolarHBondContact O-N 2.95Å; A548-L551 PolarHBondContact O-N 3.34Å; A548-M552 PolarHBondContact O-N 2.89Å |
| 549 | A | 38.5 | Very low | 35.2 | Very low | 48 Ų | 48 | 112.6 Ų | 112.6 | 40% | 0.397 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -65.7 | -35.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V545 L546 E547 S553 | V545-A549 PolarHBondContact O-N 3.37Å; L546-A549 PolarHBondContact O-N 2.64Å; E547-A549 VanDerWaalsContact C-N 3.29Å; E547-A549 PolarHBondContact O-N 3.42Å; A549-S553 VanDerWaalsContact O-CB 3.23Å; A549-S553 WeakPolarHBondContact O-CB 3.06Å; A549-S553 PolarHBondContact O-N 3.29Å; A549-S553 PolarHBondContact O-OG 2.91Å |
| 550 | A | 40 | Very low | 35.3 | Very low | 58 Ų | 58 | 118.5 Ų | 118.5 | 48% | 0.479 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -67.6 | -41.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L546 E547 S553 | L546-A550 PolarHBondContact O-N 3.05Å; E547-A550 WeakPolarHBondContact O-CB 3.42Å; E547-A550 PolarHBondContact O-N 3.08Å; E547-A550 VanDerWaalsContact O-N 3.14Å; A550-S553 CarbonylContact O-C 3.25Å; A550-S553 PolarHBondContact O-N 3.43Å |
| 551 | L | 41.4 | Very low | 35.2 | Very low | 131 Ų | 131 | 117.8 Ų | 117.8 | 69% | 0.686 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -68.7 | -31.4 | 176.8 | -69.1 | 173.8 | 0 | 0 | 0 | 113.3 | E547 A548 | E547-L551 PolarHBondContact O-N 3.07Å; A548-L551 PolarHBondContact O-N 3.34Å |
| 552 | M | 43.7 | Very low | 35.1 | Very low | 172 Ų | 172 | 116.3 Ų | 116.3 | 85% | 0.847 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -78.7 | -25 | 171.4 | -70.5 | -160.6 | 72.5 | 0 | 0 | 113.4 | A548 G554 | A548-M552 PolarHBondContact O-N 2.89Å; M552-G554 PolarHBondContact O-N 3.35Å; M552-G554 VanDerWaalsContact O-N 3.15Å |
| 553 | S | 36 | Very low | 35.2 | Very low | 66 Ų | 66 | 117.5 Ų | 117.5 | 46% | 0.462 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.8 | 81 | 173.6 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | A549 A550 L555 | A549-S553 VanDerWaalsContact O-CB 3.23Å; A549-S553 WeakPolarHBondContact O-CB 3.06Å; A549-S553 PolarHBondContact O-N 3.29Å; A549-S553 PolarHBondContact O-OG 2.91Å; A550-S553 CarbonylContact O-C 3.25Å; A550-S553 PolarHBondContact O-N 3.43Å; S553-L555 VanDerWaalsContact C-N 3.29Å; S553-L555 WeakPolarHBondContact O-CB 3.43Å; S553-L555 WeakPolarHBondContact O-CG 3.49Å; S553-L555 PolarHBondContact O-N 3.43Å |
| 554 | G | 31 | Very low | 35 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | 76.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | M552 | M552-G554 PolarHBondContact O-N 3.35Å; M552-G554 VanDerWaalsContact O-N 3.15Å |
| 555 | L | 30 | Very low | 34.7 | Very low | 148 Ų | 148 | 120.7 Ų | 120.7 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | | | trans | -127.3 | 47.1 | -173 | -66.5 | 174.5 | 0 | 0 | 0 | 110.4 | S553 P557 | S553-L555 VanDerWaalsContact C-N 3.29Å; S553-L555 WeakPolarHBondContact O-CB 3.43Å; S553-L555 WeakPolarHBondContact O-CG 3.49Å; S553-L555 PolarHBondContact O-N 3.43Å; L555-P557 WeakPolarHBondContact O-CD 3.24Å |
| 556 | C | 29.2 | Very low | 34.1 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | | | trans | -110.6 | 92 | 171.5 | -67.4 | 0 | 0 | 0 | 0 | 110 | S558 | C556-S558 PolarHBondContact O-N 2.98Š|
| 557 | P | 33 | Very low | 33.7 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | | | trans | -65.5 | 117 | 172.9 | -17.3 | 31.6 | 0 | 0 | 0 | 110.2 | L555 L559 | L555-P557 WeakPolarHBondContact O-CD 3.24Å; P557-L559 PolarHBondContact O-N 3.5Å |
| 558 | S | 26 | Very low | 33.5 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | | | trans | -72.1 | 93.5 | 175.5 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | C556 | C556-S558 PolarHBondContact O-N 2.98Š|
| 559 | L | 30.9 | Very low | 33.1 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | | | trans | -163.5 | 86.2 | 176.3 | -114.9 | 166.7 | 0 | 0 | 0 | 113 | P557 | P557-L559 PolarHBondContact O-N 3.5Š|
| 560 | F | 31.8 | Very low | 32.7 | Very low | 216 Ų | 216 | 130.6 Ų | 130.6 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | | | trans | -154.2 | 100.7 | 151.6 | -92.2 | -60 | 0 | 0 | 0 | 111.5 | | |
| 561 | P | 33.2 | Very low | 32.3 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | trans | -73.5 | 151.1 | 172.3 | -15.7 | 31.2 | 0 | 0 | 0 | 112.3 | M563 | P561-M563 PolarHBondContact O-N 3.18Š|
| 562 | S | 27.3 | Very low | 31.7 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | -73.5 | 112 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 563 | M | 33.7 | Very low | 31 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | trans | -135.1 | 140.4 | 164.1 | -69.1 | -148.1 | 77 | 0 | 0 | 111.6 | P561 P565 | P561-M563 PolarHBondContact O-N 3.18Å; M563-P565 WeakPolarHBondContact O-CD 3.06Å |
| 564 | N | 29.8 | Very low | 30.4 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -74.2 | 124.5 | -169.9 | -85.8 | -62 | 0 | 0 | 0 | 113.7 | S566 | N564-S566 PolarHBondContact O-N 2.78Š|
| 565 | P | 30.5 | Very low | 30.5 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | | | trans | -91 | 82.8 | 173.1 | 35.1 | -32 | 0 | 0 | 0 | 111.3 | M563 | M563-P565 WeakPolarHBondContact O-CD 3.06Š|
| 566 | S | 31.5 | Very low | 30.6 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | -139.6 | 41.2 | -172.4 | 54.6 | 0 | 0 | 0 | 0 | 115.5 | N564 | N564-S566 PolarHBondContact O-N 2.78Š|
| 567 | N | 31.9 | Very low | 30.6 | Very low | 158 Ų | 158 | 139 Ų | 139 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -144.8 | 15.7 | -179 | -102.6 | -36.2 | 0 | 0 | 0 | 117.7 | | |
| 568 | L | 34.7 | Very low | 30.5 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | | | trans | -126.5 | 23.7 | 178.2 | -72.8 | 177.8 | 0 | 0 | 0 | 115.2 | N570 | L568-N570 VanDerWaalsContact C-N 3.29Å; L568-N570 PolarHBondContact O-N 3.38Å |
| 569 | L | 31 | Very low | 30.7 | Very low | 129 Ų | 129 | 143 Ų | 143 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -84 | 6 | 176 | -74.3 | 167.7 | 0 | 0 | 0 | 114.6 | L572 | L569-L572 HydrophobicContact CD2-CD1 3.71Å; L569-L572 HydrophobicContact CD2-CG 4.17Å |
| 570 | N | 29.8 | Very low | 30.5 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -87.2 | 3.9 | 179.7 | -85.6 | 6.5 | 0 | 0 | 0 | 115 | L568 | L568-N570 VanDerWaalsContact C-N 3.29Å; L568-N570 PolarHBondContact O-N 3.38Å |
| 571 | T | 32.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -111.3 | 18.5 | 169.6 | 2.4 | 0 | 0 | 0 | 0 | 113.2 | R573 | T571-R573 PolarHBondContact O-N 3.27Š|
| 572 | L | 28.4 | Very low | 31 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | | | trans | -71.2 | 77.7 | 165.1 | -73.3 | -175.5 | 0 | 0 | 0 | 111 | L569 | L569-L572 HydrophobicContact CD2-CD1 3.71Å; L569-L572 HydrophobicContact CD2-CG 4.17Å |
| 573 | R | 28.4 | Very low | 31.3 | Very low | 239 Ų | 239 | 138.2 Ų | 138.2 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | trans | -115.2 | 60.6 | 159 | -163.1 | 175.9 | -172.7 | 156.7 | 3 | 109.9 | T571 | T571-R573 PolarHBondContact O-N 3.27Š|
| 574 | C | 23.5 | Very low | 31.4 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | trans | -58.2 | 148.6 | 162.7 | -50.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 575 | P | 34.5 | Very low | 31.9 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | | -95.3 | 160.7 | 91.3 | 26.2 | -35.6 | 0 | 0 | 0 | 113 | | |
| 576 | P | 30.2 | Very low | 32.3 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | trans | -94.5 | -166.6 | 176.4 | 36.8 | -29.1 | 0 | 0 | 0 | 111.9 | | |
| 577 | V | 30.8 | Very low | 32.9 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | 100.7 | 132.8 | 167.6 | -173.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 578 | D | 30.5 | Very low | 33.4 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 68% | 0.684 | 75% | 0.752 | S | S | * | * | | | trans | 62.9 | 92 | 167.3 | -58.4 | -15.7 | 0 | 0 | 0 | 123.6 | | |
| 579 | F | 29.5 | Very low | 34 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | | | | 32.1 | 101.8 | 109.9 | -67.3 | -78.7 | 0 | 0 | 0 | 118.4 | | |
| 580 | A | 26.4 | Very low | 34.9 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | | | | 170.1 | 122.2 | 90.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 581 | P | 33.7 | Very low | 35.9 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | | | trans | -73 | 131.7 | 174.3 | 29.8 | -33 | 0 | 0 | 0 | 110.6 | F583 | P581-F583 HydrophobicContact CG-CD2 4.31Å; P581-F583 HydrophobicContact CG-CE2 3.94Å; P581-F583 PolarHBondContact O-N 3.39Å |
| 582 | P | 42.5 | Very low | 36.8 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | | | trans | -72 | 98.7 | 178.4 | 28.5 | -33.9 | 0 | 0 | 0 | 111 | C584 | P582-C584 PolarHBondContact O-N 3.31Š|
| 583 | F | 34.1 | Very low | 38.2 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | | | trans | -73.3 | 62.8 | 168 | -81.2 | -81.8 | 0 | 0 | 0 | 111.4 | P581 | P581-F583 HydrophobicContact CG-CD2 4.31Å; P581-F583 HydrophobicContact CG-CE2 3.94Å; P581-F583 PolarHBondContact O-N 3.39Å |
| 584 | C | 35.5 | Very low | 39.9 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 70% | 0.703 | 70% | 0.698 | S | S | * | * | | | trans | -131 | 75.5 | -176.8 | -71.4 | 0 | 0 | 0 | 0 | 111.2 | P582 | P582-C584 PolarHBondContact O-N 3.31Š|
| 585 | D | 39.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 125 Ų | 125 | 67% | 0.668 | 69% | 0.692 | S | S | * | * | | | trans | -163.2 | -5.5 | 160.1 | -114.6 | -24.9 | 0 | 0 | 0 | 115.8 | F587 N588 | D585-F587 PolarHBondContact O-N 2.97Å; D585-N588 PolarHBondContact O-ND2 2.93Å; D585-N588 PolarHBondContact OD1-ND2 3.25Å |
| 586 | L | 39 | Very low | 43 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 81% | 0.812 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -0 | 176.5 | -83.9 | 117.3 | 0 | 0 | 0 | 115 | N588 | L586-N588 VanDerWaalsContact C-N 3.29Å; L586-N588 PolarHBondContact O-N 3.29Å |
| 587 | F | 43.9 | Very low | 44.6 | Very low | 200 Ų | 200 | 126.8 Ų | 126.8 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 1.5 | 174.8 | -78 | -72.4 | 0 | 0 | 0 | 114.3 | D585 L589 | D585-F587 PolarHBondContact O-N 2.97Å; F587-L589 PolarHBondContact O-N 3.42Å |
| 588 | N | 43.4 | Very low | 46 | Very low | 124 Ų | 124 | 127 Ų | 127 | 66% | 0.663 | 67% | 0.671 | S | S | * | * | | | trans | -78.1 | 34.3 | 174.5 | -66 | -61.9 | 0 | 0 | 0 | 114 | D585 L586 | D585-N588 PolarHBondContact O-ND2 2.93Å; D585-N588 PolarHBondContact OD1-ND2 3.25Å; L586-N588 VanDerWaalsContact C-N 3.29Å; L586-N588 PolarHBondContact O-N 3.29Å |
| 589 | L | 46.4 | Very low | 47.8 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -81.5 | 121.4 | 165 | -77.3 | 173.3 | 0 | 0 | 0 | 108.6 | F587 N591 | F587-L589 PolarHBondContact O-N 3.42Å; L589-N591 PolarHBondContact O-N 3.36Å |
| 590 | P | 51.2 | Low | 49 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 58% | 0.578 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 133.6 | -172.8 | 25 | -33.9 | 0 | 0 | 0 | 111.5 | | |
| 591 | N | 49.6 | Very low | 50.1 | Low | 98 Ų | 98 | 122.3 Ų | 122.3 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 124.2 | -174.7 | -175.3 | -23.1 | 0 | 0 | 0 | 110.4 | L589 I593 E594 | L589-N591 PolarHBondContact O-N 3.36Å; N591-I593 PolarHBondContact O-N 3.01Å; N591-I593 WeakPolarHBondContact OD1-CG1 3.36Å; N591-I593 PolarHBondContact OD1-N 3.36Å; N591-E594 WeakPolarHBondContact O-CB 2.91Å; N591-E594 PolarHBondContact O-N 2.88Å |
| 592 | P | 52.8 | Low | 50.9 | Low | 95 Ų | 95 | 124.7 Ų | 124.7 | 62% | 0.617 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -59.8 | -16.6 | -171.2 | 21.6 | -34.2 | 0 | 0 | 0 | 115 | E594 I595 Q596 | P592-E594 PolarHBondContact O-N 2.75Å; P592-I595 PolarHBondContact O-N 3.18Å; P592-Q596 PolarHBondContact O-N 3.18Å |
| 593 | I | 57.4 | Low | 50.7 | Low | 112 Ų | 112 | 127.1 Ų | 127.1 | 57% | 0.574 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -54.3 | -35.6 | 170.1 | -63 | 172.4 | 0 | 0 | 0 | 111.5 | N591 Q596 K597 | N591-I593 PolarHBondContact O-N 3.01Å; N591-I593 WeakPolarHBondContact OD1-CG1 3.36Å; N591-I593 PolarHBondContact OD1-N 3.36Å; I593-Q596 PolarHBondContact O-N 3.11Å; I593-K597 PolarHBondContact O-N 3.03Å |
| 594 | E | 64.7 | Low | 50.9 | Low | 118 Ų | 118 | 126 Ų | 126 | 55% | 0.551 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.7 | -36.4 | -175.8 | -159.8 | 152 | -115 | 0 | 0 | 112.4 | N591 P592 K597 Q598 | N591-E594 WeakPolarHBondContact O-CB 2.91Å; N591-E594 PolarHBondContact O-N 2.88Å; P592-E594 PolarHBondContact O-N 2.75Å; E594-K597 WeakPolarHBondContact O-CB 3.34Å; E594-K597 PolarHBondContact O-N 2.92Å; E594-Q598 WeakPolarHBondContact O-CG 2.96Å; E594-Q598 PolarHBondContact O-N 2.89Å |
| 595 | I | 62 | Low | 51 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 49% | 0.487 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.4 | -43.8 | 171.3 | -59.1 | 174 | 0 | 0 | 0 | 110 | P592 K597 Q598 I599 | P592-I595 PolarHBondContact O-N 3.18Å; I595-K597 VanDerWaalsContact C-N 3.28Å; I595-K597 PolarHBondContact O-N 3.08Å; I595-Q598 PolarHBondContact O-N 3.15Å; I595-I599 HydrophobicContact CG2-CD1 4.08Å; I595-I599 WeakPolarHBondContact O-CG1 3.04Å; I595-I599 PolarHBondContact O-N 3.48Å |
| 596 | Q | 60.7 | Low | 50.7 | Low | 126 Ų | 126 | 128.3 Ų | 128.3 | 59% | 0.589 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.8 | -33.3 | 176.2 | -167 | 170.5 | 16.6 | 0 | 0 | 112.3 | P592 I593 I599 N600 | P592-Q596 PolarHBondContact O-N 3.18Å; I593-Q596 PolarHBondContact O-N 3.11Å; Q596-I599 PolarHBondContact O-N 2.89Å; Q596-N600 PolarHBondContact O-N 2.96Å; Q596-N600 VanDerWaalsContact O-N 3.09Å |
| 597 | K | 63.2 | Low | 50.4 | Low | 144 Ų | 144 | 129.1 Ų | 129.1 | 63% | 0.626 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.2 | -46.4 | 173.1 | -135.7 | 175.7 | -174.4 | 180 | 0 | 111.5 | I593 E594 I595 I599 N600 C601 | I593-K597 PolarHBondContact O-N 3.03Å; E594-K597 WeakPolarHBondContact O-CB 3.34Å; E594-K597 PolarHBondContact O-N 2.92Å; I595-K597 VanDerWaalsContact C-N 3.28Å; I595-K597 PolarHBondContact O-N 3.08Å; K597-I599 PolarHBondContact O-N 2.92Å; K597-N600 PolarHBondContact O-N 3.37Å; K597-C601 PolarHBondContact O-N 3.3Å; K597-C601 PolarHBondContact O-SG 2.96Å |
| 598 | Q | 60.1 | Low | 49.9 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 59% | 0.593 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -62 | -42.3 | 176.9 | -69.3 | 179 | 8.3 | 0 | 0 | 112.5 | E594 I595 N600 C601 L602 | E594-Q598 WeakPolarHBondContact O-CG 2.96Å; E594-Q598 PolarHBondContact O-N 2.89Å; I595-Q598 PolarHBondContact O-N 3.15Å; Q598-N600 VanDerWaalsContact C-N 3.32Å; Q598-N600 PolarHBondContact O-N 3.24Å; Q598-C601 PolarHBondContact O-N 2.77Å; Q598-L602 PolarHBondContact O-N 2.99Å |
| 599 | I | 67.6 | Low | 49.6 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -61.4 | -39.7 | 176.1 | -68.3 | 167.4 | 0 | 0 | 0 | 111.4 | I595 Q596 K597 L602 | I595-I599 HydrophobicContact CG2-CD1 4.08Å; I595-I599 WeakPolarHBondContact O-CG1 3.04Å; I595-I599 PolarHBondContact O-N 3.48Å; Q596-I599 PolarHBondContact O-N 2.89Å; K597-I599 PolarHBondContact O-N 2.92Å; I599-L602 PolarHBondContact O-N 2.93Å |
| 600 | N | 54.8 | Low | 48.9 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -71 | -38.2 | 176.8 | -76.5 | -15.2 | 0 | 0 | 0 | 112.8 | Q596 K597 Q598 L602 K603 | Q596-N600 PolarHBondContact O-N 2.96Å; Q596-N600 VanDerWaalsContact O-N 3.09Å; K597-N600 PolarHBondContact O-N 3.37Å; Q598-N600 VanDerWaalsContact C-N 3.32Å; Q598-N600 PolarHBondContact O-N 3.24Å; N600-L602 PolarHBondContact O-N 3.4Å; N600-K603 PolarHBondContact O-N 2.85Å |
| 601 | C | 51 | Low | 47.9 | Very low | 101 Ų | 101 | 128 Ų | 128 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -62 | -27.9 | 176.1 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | K597 Q598 K603 | K597-C601 PolarHBondContact O-N 3.3Å; K597-C601 PolarHBondContact O-SG 2.96Å; Q598-C601 PolarHBondContact O-N 2.77Å; C601-K603 VanDerWaalsContact C-N 3.27Å; C601-K603 PolarHBondContact O-N 2.8Å |
| 602 | L | 49.4 | Very low | 46.9 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -4.5 | 178.6 | -88.2 | 160.2 | 0 | 0 | 0 | 114.9 | Q598 I599 N600 | Q598-L602 PolarHBondContact O-N 2.99Å; I599-L602 PolarHBondContact O-N 2.93Å; N600-L602 PolarHBondContact O-N 3.4Å |
| 603 | K | 38.6 | Very low | 46 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -10.7 | -171.3 | -161.3 | 169.8 | 178.4 | -176.1 | 0 | 115.4 | N600 C601 | N600-K603 PolarHBondContact O-N 2.85Å; C601-K603 VanDerWaalsContact C-N 3.27Å; C601-K603 PolarHBondContact O-N 2.8Å |
| 604 | M | 39 | Very low | 44.6 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | | | trans | -116.4 | 106.4 | -177.3 | -64.3 | -56.8 | -66.7 | 0 | 0 | 112 | C606 | M604-C606 PolarHBondContact O-N 3.16Å; M604-C606 VanDerWaalsContact O-N 3.13Å |
| 605 | N | 36.4 | Very low | 42.8 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | | | trans | -70.5 | 101.7 | 172.4 | -68.6 | -44.1 | 0 | 0 | 0 | 110.4 | | |
| 606 | C | 33.9 | Very low | 41.5 | Very low | 121 Ų | 121 | 139 Ų | 139 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 126.2 | 164.9 | -72.3 | 0 | 0 | 0 | 0 | 109.6 | M604 | M604-C606 PolarHBondContact O-N 3.16Å; M604-C606 VanDerWaalsContact O-N 3.13Å |
| 607 | H | 32.2 | Very low | 39.9 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 159.6 | 179.2 | -89 | -85.1 | 0 | 0 | 0 | 112.3 | | |
| 608 | P | 33.5 | Very low | 38.6 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64 | 157.5 | -168.2 | 24 | -35 | 0 | 0 | 0 | 114.6 | | |
| 609 | P | 36.9 | Very low | 37 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 148.6 | -170 | 30.6 | -36.7 | 0 | 0 | 0 | 113.4 | | |
| 610 | S | 31.5 | Very low | 35.3 | Very low | 123 Ų | 123 | 141 Ų | 141 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 137 | 168.8 | -47 | 0 | 0 | 0 | 0 | 111 | | |
| 611 | E | 30.6 | Very low | 34.2 | Very low | 182 Ų | 182 | 145 Ų | 145 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -90.4 | 177.9 | -177.8 | -57.7 | -175.5 | 139.7 | 0 | 0 | 113 | | |
| 612 | S | 28.9 | Very low | 33.1 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | trans | 69.1 | 100.4 | 160 | 65.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 613 | S | 32.9 | Very low | 32.2 | Very low | 115 Ų | 115 | 149.5 Ų | 149.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -155.8 | 79.1 | 133.7 | 66.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 614 | E | 28.8 | Very low | 31.9 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | | 76.3 | 142.7 | 99.7 | -77.1 | -151.5 | 131 | 0 | 0 | 114.9 | | |
| 615 | S | 28 | Very low | 31.5 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -110.2 | 135.5 | -156.2 | 50.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 616 | K | 33.2 | Very low | 31.5 | Very low | 209 Ų | 209 | 149.3 Ų | 149.3 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -125 | 105.8 | 154.7 | -75.2 | 176.8 | 177.9 | 170.8 | 0 | 106.7 | | |
| 617 | S | 28.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | | 79.5 | 112.8 | 59.1 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 618 | G | 34.7 | Very low | 31.5 | Very low | 66 Ų | 66 | 154.7 Ų | 154.7 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | | | trans | 136.7 | 93.5 | -165.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 619 | R | 27.4 | Very low | 31.4 | Very low | 255 Ų | 255 | 154 Ų | 154 | 96% | 0.962 | 82% | 0.818 | S | S | * | * | | | | 57.9 | 113.8 | 56.9 | -163.3 | -178.8 | -177 | 167.4 | 1.1 | 109.5 | | |
| 620 | S | 32.6 | Very low | 31.4 | Very low | 101 Ų | 101 | 155.2 Ų | 155.2 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | | | cis | -120.7 | 153.1 | 20.4 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 621 | K | 31.1 | Very low | 31.6 | Very low | 187 Ų | 187 | 156 Ų | 156 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | | 48.3 | 133.7 | 73.7 | -80.5 | -159.7 | 180 | -164.6 | 0 | 115 | | |
| 622 | Y | 28.3 | Very low | 31.7 | Very low | 193 Ų | 193 | 158 Ų | 158 | 76% | 0.757 | 82% | 0.817 | S | S | * | * | | | cis | -168.9 | 166 | -22.7 | -140.4 | -115.3 | 0 | 0 | 0 | 107.2 | | |
| 623 | E | 29.3 | Very low | 31.9 | Very low | 151 Ų | 151 | 160.8 Ų | 160.8 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | | | trans | 37.7 | 116 | 164 | -75.9 | 166.8 | 131.5 | 0 | 0 | 121.1 | | |
| 624 | N | 33.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 162.4 Ų | 162.4 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | | | | -153 | 140.8 | 110.4 | -122.1 | -63.6 | 0 | 0 | 0 | 112.6 | | |
| 625 | S | 31.1 | Very low | 32 | Very low | 102 Ų | 102 | 163.9 Ų | 163.9 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | | | trans | -104.2 | 128.3 | -170.6 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 626 | K | 36 | Very low | 32.3 | Very low | 208 Ų | 208 | 164.5 Ų | 164.5 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -155 | 119 | 152.9 | -115.8 | 155.2 | -170.2 | 169.8 | 0 | 112.5 | | |
| 627 | I | 31.1 | Very low | 32.7 | Very low | 165 Ų | 165 | 160 Ų | 160 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | | | trans | -90.2 | 123.8 | 175.8 | -63.1 | 162.1 | 0 | 0 | 0 | 108.5 | | |
| 628 | R | 33.5 | Very low | 33.2 | Very low | 242 Ų | 242 | 163 Ų | 163 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | | | trans | -173.4 | 138.9 | 134.8 | -106.3 | 166.4 | -177.6 | 172.2 | 1 | 111.1 | | |
| 629 | S | 32.4 | Very low | 33.1 | Very low | 96 Ų | 96 | 166.6 Ų | 166.6 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | | | trans | -72.5 | 157.6 | 161.4 | 60.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 630 | D | 37.3 | Very low | 33.4 | Very low | 147 Ų | 147 | 162.2 Ų | 162.2 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | | -152.9 | 161.9 | 61.2 | -75 | -32.3 | 0 | 0 | 0 | 113.1 | R632 | D630-R632 PolarHBondContact O-N 3.49Š|
| 631 | V | 34.2 | Very low | 33.3 | Very low | 140 Ų | 140 | 165.5 Ų | 165.5 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | -75.4 | 123.1 | 178.7 | 179 | 0 | 0 | 0 | 0 | 110.5 | | |
| 632 | R | 33.3 | Very low | 33.3 | Very low | 224 Ų | 224 | 167 Ų | 167 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | -134.7 | 103.6 | 158.9 | -176.7 | 171.2 | -64.2 | -145.2 | 0.2 | 109.5 | D630 | D630-R632 PolarHBondContact O-N 3.49Š|
| 633 | E | 32.9 | Very low | 33.6 | Very low | 174 Ų | 174 | 165 Ų | 165 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -59.3 | 139.7 | 159.4 | -62.8 | -177.6 | 115.4 | 0 | 0 | 109.5 | | |
| 634 | I | 32.6 | Very low | 33.8 | Very low | 149 Ų | 149 | 165.6 Ų | 165.6 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | | | trans | 164.1 | 101.1 | 150 | -85.4 | 150.8 | 0 | 0 | 0 | 106.2 | | |
| 635 | R | 32.1 | Very low | 33.7 | Very low | 227 Ų | 227 | 167 Ų | 167 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | 166.1 | 88 | 146.1 | -94.4 | 169.7 | 172.6 | 166.1 | -1.4 | 110.6 | T637 | R635-T637 HydrophobicContact CG-CG2 4.05Š|
| 636 | S | 34.7 | Very low | 34 | Very low | 127 Ų | 127 | 168.2 Ų | 168.2 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -103.3 | 111.7 | 139.4 | -175 | 0 | 0 | 0 | 0 | 106.4 | | |
| 637 | T | 41.5 | Very low | 33.7 | Very low | 113 Ų | 113 | 168.5 Ų | 168.5 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | | | trans | -109.5 | 106.2 | -179 | 46.9 | 0 | 0 | 0 | 0 | 109.3 | R635 | R635-T637 HydrophobicContact CG-CG2 4.05Š|
| 638 | F | 36.9 | Very low | 33.7 | Very low | 190 Ų | 190 | 168.8 Ų | 168.8 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | | | trans | -130 | 108.2 | 163 | -155.8 | -101 | 0 | 0 | 0 | 112.8 | | |
| 639 | N | 33.2 | Very low | 33.6 | Very low | 140 Ų | 140 | 160.6 Ų | 160.6 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | trans | 53.4 | 145 | 158.1 | -133.2 | -2.1 | 0 | 0 | 0 | 121.9 | | |
| 640 | K | 33.4 | Very low | 33.6 | Very low | 163 Ų | 163 | 162.3 Ų | 162.3 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | | | trans | -105.4 | 145.5 | 171.5 | -60.4 | 169.7 | 179.8 | 175.1 | 0 | 108.7 | | |
| 641 | H | 31.3 | Very low | 33.1 | Very low | 171 Ų | 171 | 162.4 Ų | 162.4 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | | -177.6 | 158.1 | 101.4 | -107.4 | -89.5 | 0 | 0 | 0 | 111.7 | | |
| 642 | Y | 30.6 | Very low | 33 | Very low | 217 Ų | 217 | 161.3 Ų | 161.3 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | trans | -88.8 | 150.6 | -174.7 | -64.2 | -101.2 | 0 | 0 | 0 | 112.3 | | |
| 643 | N | 34.2 | Very low | 33 | Very low | 153 Ų | 153 | 159.3 Ų | 159.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -155.4 | 151.3 | 135.6 | -130.9 | -28.7 | 0 | 0 | 0 | 115.8 | | |
| 644 | M | 33.5 | Very low | 33 | Very low | 163 Ų | 163 | 153.6 Ų | 153.6 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | | | trans | 56.4 | 147.4 | 165.7 | -61.3 | -166.8 | 71.5 | 0 | 0 | 121.5 | | |
| 645 | K | 31.5 | Very low | 32.9 | Very low | 196 Ų | 196 | 154.5 Ų | 154.5 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | | | trans | -127.7 | 142 | 178.4 | -63.1 | 172.3 | 177.4 | 176.7 | 0 | 109.6 | | |
| 646 | T | 36.7 | Very low | 32.8 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -152.6 | 99.9 | 168.7 | -53.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 647 | R | 31.4 | Very low | 32.7 | Very low | 214 Ų | 214 | 149.7 Ų | 149.7 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | | 89.7 | 106.3 | 74.5 | -84.6 | -168 | -174.7 | -153.4 | 4.7 | 113.9 | | |
| 648 | H | 30.5 | Very low | 32 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | 69.5 | 152.3 | 150 | -61.2 | -69.6 | 0 | 0 | 0 | 121.9 | | |
| 649 | G | 32 | Very low | 31.6 | Very low | 69 Ų | 69 | 146.6 Ų | 146.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 101.6 | 100.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 650 | N | 31 | Very low | 31.6 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | cis | 83.4 | 87.4 | 31.5 | -63.7 | 63.3 | 0 | 0 | 0 | 115.4 | | |
| 651 | D | 27.6 | Very low | 31.4 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | | 39 | 122.6 | 126.7 | -37.4 | -36.4 | 0 | 0 | 0 | 122.1 | | |
| 652 | S | 33.1 | Very low | 31.2 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | 160.6 | 110.5 | 151.9 | -94.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 653 | E | 32.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | | | | 57.1 | 117.8 | 69 | -65 | -166.7 | 161.3 | 0 | 0 | 114.2 | | |
| 654 | S | 32.4 | Very low | 30.8 | Very low | 55 Ų | 55 | 137.2 Ų | 137.2 | 39% | 0.385 | 77% | 0.767 | S | S | . | * | | | | 164.5 | 169.2 | 124.7 | -83 | 0 | 0 | 0 | 0 | 114.8 | D1112 | S654-D1112 WeakPolarHBondContact CB-OD1 3.37Å; S654-D1112 VanDerWaalsContact CB-OD2 3.28Å; S654-D1112 WeakPolarHBondContact CB-OD2 3.04Å; S654-D1112 PolarHBondContact OG-OD1 2.97Å; S654-D1112 PolarHBondContact OG-OD2 2.79Å |
| 655 | E | 31.9 | Very low | 30.6 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -110.1 | 162.6 | -156.7 | -60.3 | -163.9 | 130 | 0 | 0 | 117.4 | | |
| 656 | S | 29.8 | Very low | 30.6 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | 23.6 | 130.4 | 153.5 | 69.6 | 0 | 0 | 0 | 0 | 122 | | |
| 657 | N | 31.3 | Very low | 30.5 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -134.1 | 108.8 | 151.2 | -114.6 | -60.7 | 0 | 0 | 0 | 111.5 | | |
| 658 | C | 26.4 | Very low | 30.6 | Very low | 122 Ų | 122 | 128 Ų | 128 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -125.8 | 96.3 | 178.5 | -84.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 659 | S | 30.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -161.7 | 102.8 | 169.9 | -87.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 660 | S | 33 | Very low | 30.9 | Very low | 132 Ų | 132 | 127.4 Ų | 127.4 | 92% | 0.923 | 75% | 0.749 | S | S | * | * | | | trans | -168.6 | 134.7 | 140.2 | -93.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 661 | G | 27.4 | Very low | 31 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | -121.7 | -160.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 662 | S | 28.7 | Very low | 31 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | 59.6 | 98.4 | 166 | 57.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 663 | D | 28.6 | Very low | 30.9 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | | 82.4 | 141.1 | 110.4 | -56.5 | -18.8 | 0 | 0 | 0 | 123.8 | | |
| 664 | Y | 27.2 | Very low | 31 | Very low | 212 Ų | 212 | 130.8 Ų | 130.8 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | | | trans | 52.1 | 102.2 | 160.5 | -53 | -62 | 0 | 0 | 0 | 120.9 | | |
| 665 | Q | 30.3 | Very low | 30.8 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | | -154 | 124.5 | 117.2 | -125.9 | -179.9 | 27.3 | 0 | 0 | 114 | N667 | Q665-N667 PolarHBondContact O-N 2.96Å; Q665-N667 PolarHBondContact OE1-ND2 2.97Å; Q665-N667 PolarHBondContact OE1-OD1 3.4Å |
| 666 | A | 30.5 | Very low | 30.7 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -95 | 83.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V668 | A666-V668 PolarHBondContact O-N 2.99Š|
| 667 | N | 34 | Very low | 30.9 | Very low | 112 Ų | 112 | 139 Ų | 139 | 60% | 0.599 | 78% | 0.776 | S | S | * | * | | | trans | -84.4 | 108.8 | -177.6 | -81.3 | -29.9 | 0 | 0 | 0 | 112.9 | Q665 V669 | Q665-N667 PolarHBondContact O-N 2.96Å; Q665-N667 PolarHBondContact OE1-ND2 2.97Å; Q665-N667 PolarHBondContact OE1-OD1 3.4Å; N667-V669 HydrophobicContact CB-CG2 4.3Å; N667-V669 PolarHBondContact O-N 3.29Å; N667-V669 VanDerWaalsContact O-N 3.16Å |
| 668 | V | 34.2 | Very low | 31.1 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -73.9 | 98.3 | 170.7 | 175.5 | 0 | 0 | 0 | 0 | 109.8 | A666 V670 | A666-V668 PolarHBondContact O-N 2.99Å; V668-V670 HydrophobicContact CG1-CG2 3.98Å; V668-V670 PolarHBondContact O-N 2.75Å |
| 669 | V | 35.2 | Very low | 31.2 | Very low | 101 Ų | 101 | 136 Ų | 136 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | | | trans | -97 | 80.1 | -178.5 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | N667 R671 | N667-V669 HydrophobicContact CB-CG2 4.3Å; N667-V669 PolarHBondContact O-N 3.29Å; N667-V669 VanDerWaalsContact O-N 3.16Å; V669-R671 HydrophobicContact CG1-CG 3.81Å; V669-R671 PolarHBondContact O-N 3.02Å; V669-R671 VanDerWaalsContact O-N 3.14Å |
| 670 | V | 33.8 | Very low | 31.6 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -77.5 | 93.4 | 170.5 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | V668 K672 | V668-V670 HydrophobicContact CG1-CG2 3.98Å; V668-V670 PolarHBondContact O-N 2.75Å; V670-K672 PolarHBondContact O-N 2.84Å; V670-K672 VanDerWaalsContact O-N 3.17Å |
| 671 | R | 32.2 | Very low | 31.7 | Very low | 226 Ų | 226 | 136.9 Ų | 136.9 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -83.7 | 90.7 | 178.7 | -88.9 | 176.2 | 178.7 | -163.9 | -0.3 | 113 | V669 | V669-R671 HydrophobicContact CG1-CG 3.81Å; V669-R671 PolarHBondContact O-N 3.02Å; V669-R671 VanDerWaalsContact O-N 3.14Å |
| 672 | K | 28.1 | Very low | 32.1 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | 0.8 | 125.2 | 149 | -79.7 | 178.5 | 171.4 | 176.6 | 0 | 118.5 | V670 | V670-K672 PolarHBondContact O-N 2.84Å; V670-K672 VanDerWaalsContact O-N 3.17Å |
| 673 | S | 30.4 | Very low | 32.3 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | 47.7 | 121.3 | 135.1 | 65.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 674 | V | 34.5 | Very low | 32.5 | Very low | 148 Ų | 148 | 149 Ų | 149 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -117 | 131.6 | 149 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 675 | N | 28.2 | Very low | 32.9 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | -100 | 143.6 | -175.7 | -60 | -41.8 | 0 | 0 | 0 | 111.8 | | |
| 676 | R | 31 | Very low | 32.9 | Very low | 242 Ų | 242 | 148.1 Ų | 148.1 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | | | trans | -144.3 | 154.7 | 145.6 | -110.4 | -159.8 | 139.6 | 91.8 | -1.2 | 110.4 | | |
| 677 | P | 33.4 | Very low | 32.9 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -111.7 | -157.4 | -154.1 | 49.8 | -41.1 | 0 | 0 | 0 | 111.2 | | |
| 678 | P | 35.4 | Very low | 33.5 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | | -131.4 | 177.6 | -114.2 | 32 | -7.8 | 0 | 0 | 0 | 115.8 | | |
| 679 | S | 28.7 | Very low | 33.4 | Very low | 105 Ų | 105 | 151.6 Ų | 151.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | 48 | 118 | 146.1 | 61.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 680 | S | 39.4 | Very low | 33.2 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -144.4 | 161.8 | 139.4 | -73.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 681 | D | 35.3 | Very low | 33.3 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | 55.1 | 92.2 | 174.1 | -52.4 | -24 | 0 | 0 | 0 | 115.1 | | |
| 682 | R | 34.7 | Very low | 33.3 | Very low | 243 Ų | 243 | 153.1 Ų | 153.1 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | | | cis | 58.9 | 72 | 45.5 | -92 | -165 | 179.3 | -159.7 | 1.8 | 114.7 | | |
| 683 | C | 32.2 | Very low | 33.6 | Very low | 137 Ų | 137 | 149.6 Ų | 149.6 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | | | trans | -138.2 | 136.8 | 136.7 | -102 | 0 | 0 | 0 | 0 | 109.1 | | |
| 684 | M | 33.4 | Very low | 33.8 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | -123.9 | 127.9 | -174.7 | -73.9 | -86 | -70.7 | 0 | 0 | 110.2 | | |
| 685 | L | 35.3 | Very low | 33.7 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | trans | -158.7 | 144.9 | 140.3 | -143.9 | 69.9 | 0 | 0 | 0 | 110.9 | | |
| 686 | E | 31.2 | Very low | 34.1 | Very low | 178 Ų | 178 | 154.8 Ų | 154.8 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | | | trans | -73.2 | 165.2 | 174.3 | -64.1 | -179 | 97.2 | 0 | 0 | 112.3 | P688 | E686-P688 WeakPolarHBondContact O-CD 3.39Š|
| 687 | A | 30.8 | Very low | 34 | Very low | 92 Ų | 92 | 148.1 Ų | 148.1 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -89.8 | 114.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 688 | P | 46.8 | Very low | 33.9 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | | | trans | -69.9 | 151.4 | 171.6 | -16.2 | 32.2 | 0 | 0 | 0 | 111.5 | E686 | E686-P688 WeakPolarHBondContact O-CD 3.39Š|
| 689 | K | 32.4 | Very low | 33.7 | Very low | 199 Ų | 199 | 148.2 Ų | 148.2 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | -97.8 | 146.2 | -171.5 | -64.9 | 171 | -177.7 | 166.5 | 0 | 113 | | |
| 690 | N | 30.9 | Very low | 33.9 | Very low | 115 Ų | 115 | 153.5 Ų | 153.5 | 62% | 0.615 | 81% | 0.813 | S | S | * | * | | | trans | 63.1 | 106.9 | 135.5 | -175 | 78.3 | 0 | 0 | 0 | 120.2 | | |
| 691 | K | 34.3 | Very low | 34.1 | Very low | 176 Ų | 176 | 156.8 Ų | 156.8 | 77% | 0.765 | 81% | 0.813 | S | S | * | * | | | trans | 43.1 | 116.9 | 136.5 | -53.4 | 175.7 | -162.3 | 167.6 | 0 | 119.1 | | |
| 692 | H | 33.2 | Very low | 34.4 | Very low | 195 Ų | 195 | 156.9 Ų | 156.9 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | | | | -150.7 | 140.5 | 118.7 | -107.8 | -76.4 | 0 | 0 | 0 | 110.7 | G694 | H692-G694 PolarHBondContact O-N 3.36Š|
| 693 | S | 34.3 | Very low | 34.5 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -92.3 | 92.2 | -179.6 | 54.3 | 0 | 0 | 0 | 0 | 111.4 | K695 | S693-K695 PolarHBondContact O-N 3.48Š|
| 694 | G | 34 | Very low | 34.7 | Very low | 72 Ų | 72 | 150.6 Ų | 150.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -73.3 | 115.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H692 | H692-G694 PolarHBondContact O-N 3.36Š|
| 695 | K | 32.6 | Very low | 35 | Very low | 201 Ų | 201 | 150 Ų | 150 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -108.3 | 97.6 | 163.4 | -74.7 | -174.1 | 179.1 | -179.3 | 0 | 109 | S693 | S693-K695 PolarHBondContact O-N 3.48Š|
| 696 | F | 37.9 | Very low | 35.1 | Very low | 213 Ų | 213 | 149.5 Ų | 149.5 | 93% | 0.934 | 77% | 0.774 | S | S | * | * | | | trans | -121 | 144 | 165.7 | -83.1 | -77.1 | 0 | 0 | 0 | 110.3 | | |
| 697 | S | 28.8 | Very low | 35.3 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | -107 | 160.4 | 179 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 698 | T | 29.7 | Very low | 35.5 | Very low | 113 Ų | 113 | 153.3 Ų | 153.3 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | | | trans | 83.5 | 149.1 | 154.3 | -18.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 699 | T | 31.1 | Very low | 35.1 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | | | trans | 77.5 | 145.6 | 164 | 75.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 700 | R | 34.5 | Very low | 35.3 | Very low | 217 Ų | 217 | 152.9 Ų | 152.9 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | | | cis | -167.3 | 160.3 | -11.2 | -113.9 | 168.3 | -172.4 | 169.1 | -1 | 110.3 | | |
| 701 | K | 42 | Very low | 35.3 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | 66.1 | 102.8 | 162.8 | -45.8 | -160.7 | -170.7 | 176.2 | 0 | 120 | | |
| 702 | V | 42.9 | Very low | 35.8 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | | | | -122.4 | 156.1 | 114.1 | -179.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 703 | K | 36.3 | Very low | 35.9 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | | | trans | -149.3 | 160.6 | -159.5 | 168.8 | 177.2 | 170.5 | -89.8 | 0 | 112.2 | | |
| 704 | D | 36.8 | Very low | 35.8 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 54% | 0.535 | 75% | 0.748 | S | S | . | * | | | trans | 72 | 143.4 | 172.9 | -70.4 | -37.2 | 0 | 0 | 0 | 113.1 | | |
| 705 | K | 38.3 | Very low | 35.9 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | | | cis | 170.5 | 162.3 | -10.5 | -113.9 | 176.7 | -164.8 | 169.8 | 0 | 102.8 | | |
| 706 | M | 37.9 | Very low | 35.9 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | cis | -171.1 | 171.5 | 15.1 | 39.2 | -151.1 | 144.3 | 0 | 0 | 109.2 | | |
| 707 | K | 36.1 | Very low | 35.6 | Very low | 194 Ų | 194 | 148.7 Ų | 148.7 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | | | trans | 83.9 | 137.8 | 157.1 | -156.2 | -176.5 | -174.7 | -176 | 0 | 115.6 | | |
| 708 | K | 35.6 | Very low | 35.7 | Very low | 157 Ų | 157 | 150.7 Ų | 150.7 | 68% | 0.683 | 74% | 0.74 | S | S | * | * | | | cis | 177 | 161.1 | -28.9 | -163.8 | -172 | 159.6 | -141.8 | 0 | 104.4 | | |
| 709 | E | 37.8 | Very low | 36.2 | Very low | 138 Ų | 138 | 155.4 Ų | 155.4 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | | | trans | 77.7 | 137.8 | 169.2 | -54.2 | 168.9 | -173.1 | 0 | 0 | 113.4 | | |
| 710 | Q | 36.3 | Very low | 36.3 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | cis | -142.1 | 144.4 | -5.7 | -139.8 | 168.2 | 12.9 | 0 | 0 | 113.5 | | |
| 711 | E | 31.4 | Very low | 36 | Very low | 173 Ų | 173 | 155 Ų | 155 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | trans | -79.7 | -171.9 | 164.6 | -122 | -167.5 | 133.6 | 0 | 0 | 109.6 | | |
| 712 | P | 43.8 | Very low | 35.4 | Very low | 92 Ų | 92 | 155.9 Ų | 155.9 | 60% | 0.597 | 75% | 0.754 | S | S | * | * | | | cis | -138.3 | -163.7 | -13.5 | 24 | 2.7 | 0 | 0 | 0 | 113.4 | | |
| 713 | V | 36.8 | Very low | 34.9 | Very low | 134 Ų | 134 | 153 Ų | 153 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | | | trans | 75 | 146.1 | 154.1 | -168.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 714 | S | 32 | Very low | 34.8 | Very low | 86 Ų | 86 | 152.7 Ų | 152.7 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | | | cis | -173.9 | 178.4 | -39.1 | -160 | 0 | 0 | 0 | 0 | 108.1 | | |
| 715 | D | 35.8 | Very low | 34.5 | Very low | 146 Ų | 146 | 156.9 Ų | 156.9 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | 59.3 | 119.3 | 147.6 | -64.6 | -52.6 | 0 | 0 | 0 | 122 | | |
| 716 | K | 31.8 | Very low | 34.4 | Very low | 199 Ų | 199 | 159.5 Ų | 159.5 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | -57.3 | 154.5 | 155.4 | -41.4 | 151.9 | -175.7 | 171.8 | 0 | 109.7 | | |
| 717 | Q | 32.9 | Very low | 34.3 | Very low | 169 Ų | 169 | 159.5 Ų | 159.5 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | | -165.5 | 154.3 | 124.3 | -158.8 | 139.4 | -23.8 | 0 | 0 | 112.7 | | |
| 718 | E | 29.9 | Very low | 34.2 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 67% | 0.673 | 76% | 0.762 | S | S | * | * | | | trans | 12.7 | 144.1 | 163.5 | -71 | 171.8 | 94 | 0 | 0 | 123.9 | P720 | E718-P720 WeakPolarHBondContact O-CD 3.49Š|
| 719 | F | 39.4 | Very low | 34.4 | Very low | 213 Ų | 213 | 152.6 Ų | 152.6 | 93% | 0.934 | 76% | 0.76 | S | S | * | * | | | trans | -82.9 | 127.4 | 148.2 | -79.8 | -92.3 | 0 | 0 | 0 | 111.1 | | |
| 720 | P | 33.3 | Very low | 34.2 | Very low | 94 Ų | 94 | 153 Ų | 153 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | | | trans | -128.1 | 113.9 | 155.5 | 34 | -20.1 | 0 | 0 | 0 | 113.6 | E718 | E718-P720 WeakPolarHBondContact O-CD 3.49Š|
| 721 | R | 29.5 | Very low | 34.1 | Very low | 222 Ų | 222 | 152 Ų | 152 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | | 40.7 | 139.1 | 125.6 | -57.4 | 170.7 | 174.1 | 132 | -4.8 | 119.8 | | |
| 722 | K | 29.2 | Very low | 34.4 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | | | trans | 77.8 | 151 | 164.5 | -59.9 | 170.1 | -179.8 | 177.8 | 0 | 114 | | |
| 723 | S | 31.6 | Very low | 34.1 | Very low | 95 Ų | 95 | 150.3 Ų | 150.3 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | cis | -160.3 | 166.4 | -5.2 | 29.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 724 | N | 35 | Very low | 33.8 | Very low | 140 Ų | 140 | 147 Ų | 147 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | 70.6 | 118.9 | 170 | -56.8 | -19 | 0 | 0 | 0 | 114.3 | | |
| 725 | K | 30.3 | Very low | 34.2 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | | 59.1 | 91.8 | 57.1 | -61.7 | -175.2 | 175.4 | -176.1 | 0 | 112.5 | | |
| 726 | Y | 35.9 | Very low | 34.2 | Very low | 220 Ų | 220 | 145 Ų | 145 | 86% | 0.863 | 76% | 0.76 | S | S | * | * | | | trans | -150.1 | 140.2 | 132.5 | -110.4 | -80 | 0 | 0 | 0 | 109.6 | | |
| 727 | M | 36.4 | Very low | 34.4 | Very low | 163 Ų | 163 | 139 Ų | 139 | 80% | 0.803 | 74% | 0.738 | S | S | * | * | | | trans | 20.2 | 133.3 | 177.6 | -61.2 | -55.7 | 97.3 | 0 | 0 | 123.3 | | |
| 728 | S | 33.9 | Very low | 34.6 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | | | trans | -91.2 | 175.9 | 155.4 | -169 | 0 | 0 | 0 | 0 | 109.5 | | |
| 729 | P | 40.3 | Very low | 34.9 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | | | cis | -117.1 | 169.4 | -37.7 | 28.6 | -10.7 | 0 | 0 | 0 | 112.7 | | |
| 730 | D | 33.7 | Very low | 34.7 | Very low | 145 Ų | 145 | 121 Ų | 121 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | | | | -178.8 | 147.3 | 112.7 | -92.1 | -11.3 | 0 | 0 | 0 | 112.7 | | |
| 731 | D | 33.8 | Very low | 34.9 | Very low | 161 Ų | 161 | 122.9 Ų | 122.9 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | | | trans | 33.5 | 81.4 | 167.9 | -71.7 | -1.7 | 0 | 0 | 0 | 120.4 | | |
| 732 | S | 36.9 | Very low | 35 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 67% | 0.669 | S | S | * | * | | | trans | -86.4 | 163.5 | 141.6 | -60.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 733 | P | 36.9 | Very low | 35.7 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 75% | 0.753 | 66% | 0.662 | S | S | * | * | | | cis | -131.9 | 174.7 | -35.1 | 37.6 | -22.3 | 0 | 0 | 0 | 112.2 | | |
| 734 | G | 30.7 | Very low | 36.2 | Very low | 64 Ų | 64 | 119.2 Ų | 119.2 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | | | trans | -72 | 138.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 735 | P | 40.9 | Very low | 36.4 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 58% | 0.578 | 67% | 0.669 | S | S | * | * | | | trans | -84.3 | 147.3 | 171.5 | 33.6 | -33.6 | 0 | 0 | 0 | 111.9 | S250 | S250-P735 PolarHBondContact OG-O 3.37Š|
| 736 | P | 36.9 | Very low | 36.9 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | | | trans | -107.2 | 169.1 | -163.7 | 34.9 | -20.8 | 0 | 0 | 0 | 113.4 | | |
| 737 | D | 34.9 | Very low | 37.2 | Very low | 73 Ų | 73 | 115.1 Ų | 115.1 | 39% | 0.39 | 67% | 0.667 | S | S | . | * | | | | 1.6 | 140.5 | 119.2 | -68 | 48.8 | 0 | 0 | 0 | 117.7 | E248 S249 S250 | E248-D737 WeakPolarHBondContact O-CA 3.18Å; S249-D737 VanDerWaalsContact CA-OD1 3.29Å; S249-D737 WeakPolarHBondContact CA-OD1 3.11Å; S249-D737 WeakPolarHBondContact CA-OD2 3.46Å; S249-D737 VanDerWaalsContact CB-OD2 3.3Å; S249-D737 WeakPolarHBondContact CB-OD2 3.3Å; S249-D737 PolarHBondContact OG-OD2 3.11Å; S250-D737 PolarHBondContact N-OD1 2.86Å; S250-D737 PolarHBondContact OG-N 3.25Å |
| 738 | T | 36.4 | Very low | 37.4 | Very low | 46 Ų | 46 | 112.9 Ų | 112.9 | 28% | 0.282 | 67% | 0.665 | S | S | . | * | | | cis | -173.5 | 109.7 | 4.7 | 30.3 | 0 | 0 | 0 | 0 | 114.3 | H247 E248 | H247-T738 VanDerWaalsContact CB-CB 3.44Å; H247-T738 HydrophobicContact CB-CG2 3.5Å; H247-T738 WeakPolarHBondContact ND1-CB 3.44Å; H247-T738 PolarHBondContact ND1-O 3.24Å; H247-T738 PolarHBondContact ND1-OG1 2.7Å; H247-T738 VanDerWaalsContact ND1-OG1 3.1Å; E248-T738 VanDerWaalsContact N-CG2 3.3Å; E248-T738 WeakPolarHBondContact O-CA 3.12Å; E248-T738 WeakPolarHBondContact O-CG2 3.29Å |
| 739 | N | 36.3 | Very low | 37.8 | Very low | 74 Ų | 74 | 119.4 Ų | 119.4 | 40% | 0.396 | 67% | 0.673 | S | S | . | * | | | trans | 176.3 | 98.6 | 151 | 171.3 | 69.2 | 0 | 0 | 0 | 115.5 | H245 E248 | H245-N739 PolarHBondContact CE1-OD1 3.01Å; H245-N739 PolarHBondContact ND1-OD1 3.47Å; E248-N739 VanDerWaalsContact CD-N 3.35Å; E248-N739 VanDerWaalsContact OE1-C 3.32Å; E248-N739 WeakPolarHBondContact OE2-CA 3.45Å; E248-N739 PolarHBondContact OE2-N 2.96Å; E248-N739 VanDerWaalsContact OE2-O 3.13Å |
| 740 | S | 35.2 | Very low | 37.5 | Very low | 28 Ų | 28 | 117.3 Ų | 117.3 | 20% | 0.196 | 67% | 0.67 | C | S | . | * | | | | 52.7 | 129.2 | 98.2 | 113.7 | 0 | 0 | 0 | 0 | 120.6 | E248 | E248-S740 PolarHBondContact OE1-N 3Å; E248-S740 PolarHBondContact OE2-N 3.11Å |
| 741 | N | 38 | Very low | 37.9 | Very low | 132 Ų | 132 | 116.8 Ų | 116.8 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | | | trans | 70.1 | 105.5 | 152.1 | -66.2 | -66.4 | 0 | 0 | 0 | 122.8 | | |
| 742 | K | 32.8 | Very low | 38.2 | Very low | 189 Ų | 189 | 120.7 Ų | 120.7 | 82% | 0.822 | 68% | 0.677 | S | S | * | * | | | | 19.4 | 154.3 | 120.1 | -64.6 | 177.4 | 177.6 | 172.2 | 0 | 120.3 | | |
| 743 | P | 43.8 | Very low | 38.4 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | | | cis | -140.4 | 147.9 | -42.9 | 38 | -20.8 | 0 | 0 | 0 | 113.5 | S745 | P743-S745 PolarHBondContact O-N 3.48Å; P743-S745 VanDerWaalsContact O-N 3.15Å |
| 744 | V | 41.9 | Very low | 38.6 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 84% | 0.836 | 68% | 0.683 | S | S | * | * | | | trans | -80.6 | 99.9 | 169.8 | -180 | 0 | 0 | 0 | 0 | 110.6 | R746 | V744-R746 PolarHBondContact O-N 2.72Å; V744-R746 VanDerWaalsContact O-N 3.16Å |
| 745 | S | 39.2 | Very low | 38.8 | Very low | 102 Ų | 102 | 125 Ų | 125 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | | | trans | -69 | 103.8 | 170.9 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | P743 | P743-S745 PolarHBondContact O-N 3.48Å; P743-S745 VanDerWaalsContact O-N 3.15Å |
| 746 | R | 41.2 | Very low | 38.8 | Very low | 236 Ų | 236 | 126 Ų | 126 | 89% | 0.891 | 70% | 0.701 | S | S | * | * | | | trans | -110.2 | 109.8 | 160.3 | -105.7 | 179.1 | 170.4 | 138.1 | -0.7 | 110.2 | V744 | V744-R746 PolarHBondContact O-N 2.72Å; V744-R746 VanDerWaalsContact O-N 3.16Å |
| 747 | V | 40.7 | Very low | 39.4 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 146.6 | 177.3 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 748 | P | 40.2 | Very low | 39.7 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 150.3 | -148.5 | 28.4 | -36.1 | 0 | 0 | 0 | 114.5 | | |
| 749 | R | 42.4 | Very low | 39.6 | Very low | 243 Ų | 243 | 133.6 Ų | 133.6 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 139.3 | 163.8 | -87.6 | -178.5 | 156.4 | 82.7 | 0.6 | 110.2 | | |
| 750 | G | 35 | Very low | 39.5 | Very low | 56 Ų | 56 | 135.8 Ų | 135.8 | 58% | 0.577 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61 | 172.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 751 | P | 41.2 | Very low | 39.6 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 136.3 | -166.9 | 25.4 | -34.7 | 0 | 0 | 0 | 112.9 | | |
| 752 | R | 40.3 | Very low | 39.5 | Very low | 243 Ų | 243 | 140.4 Ų | 140.4 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 128.7 | 170.4 | -61.7 | 170.7 | 76.3 | 158.4 | 0.9 | 108 | | |
| 753 | T | 41.4 | Very low | 39.7 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 134.4 | 178.9 | 36.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 754 | P | 42.4 | Very low | 39.6 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 153.9 | 162.4 | 31.7 | -32.7 | 0 | 0 | 0 | 110.6 | | |
| 755 | S | 34.2 | Very low | 39.3 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 158.6 | -169.3 | 48.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 756 | S | 41.6 | Very low | 39.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69 | 155.3 | -177.4 | -45.8 | 0 | 0 | 0 | 0 | 115 | | |
| 757 | P | 48.2 | Very low | 39 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 169.4 | 156.3 | -16.8 | 32.5 | 0 | 0 | 0 | 112.7 | | |
| 758 | P | 41 | Very low | 38.7 | Very low | 97 Ų | 97 | 131 Ų | 131 | 63% | 0.63 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 169.6 | -166.8 | 34 | -37.5 | 0 | 0 | 0 | 115.8 | T1207 | P758-T1207 HydrophobicContact CB-CG2 3.62Š|
| 759 | L | 35.8 | Very low | 38.4 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -105.1 | 179.6 | -175.8 | -65.7 | 168.2 | 0 | 0 | 0 | 112.9 | | |
| 760 | S | 34.1 | Very low | 38 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | 80.6 | 134.3 | 172 | -141.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 761 | S | 36.5 | Very low | 37.8 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | cis | -155.4 | -175.9 | -10.8 | 58.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 762 | Q | 35.7 | Very low | 37.3 | Very low | 159 Ų | 159 | 125 Ų | 125 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | cis | -156.6 | -175.7 | 3.3 | -147.6 | 175 | -90.6 | 0 | 0 | 109.6 | | |
| 763 | D | 37.5 | Very low | 36.9 | Very low | 125 Ų | 125 | 121.5 Ų | 121.5 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | | | trans | 63.3 | 149 | 162.5 | -70.6 | 24 | 0 | 0 | 0 | 119.3 | | |
| 764 | E | 40.9 | Very low | 36.3 | Very low | 171 Ų | 171 | 125.1 Ų | 125.1 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | cis | -169 | 148.6 | -39.2 | -115.3 | -43.8 | 151.3 | 0 | 0 | 107 | | |
| 765 | G | 36.1 | Very low | 36.1 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | | | trans | 66.1 | 158.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 766 | D | 39.7 | Very low | 36.3 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | cis | -149.1 | 158 | 3.4 | -157.8 | -5.3 | 0 | 0 | 0 | 112.1 | | |
| 767 | S | 34.7 | Very low | 36.1 | Very low | 114 Ų | 114 | 126.8 Ų | 126.8 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -32.5 | 148.4 | 174.3 | -45.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 768 | G | 34.1 | Very low | 35.3 | Very low | 80 Ų | 80 | 132.1 Ų | 132.1 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | 155.3 | 84.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 769 | G | 33.4 | Very low | 34.9 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | | | trans | 68.4 | 142.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 770 | T | 33.5 | Very low | 34.7 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | cis | 60 | 119.8 | 38.9 | 76.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 771 | C | 31.6 | Very low | 34.6 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | cis | -156.8 | -175 | 11.7 | -115.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 772 | S | 31.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -1.4 | 153 | 152.4 | 64.5 | 0 | 0 | 0 | 0 | 120 | | |
| 773 | H | 31.6 | Very low | 33.8 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | | | cis | -157.6 | 158.6 | 15.7 | -161.3 | -103.9 | 0 | 0 | 0 | 108.7 | | |
| 774 | Y | 29.5 | Very low | 33.5 | Very low | 211 Ų | 211 | 127.8 Ų | 127.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | -93.3 | 128.5 | 162.4 | -95.9 | -83.7 | 0 | 0 | 0 | 109.3 | | |
| 775 | D | 37.3 | Very low | 33 | Very low | 139 Ų | 139 | 122 Ų | 122 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | | | trans | -135.7 | 152.4 | 157.1 | -155.9 | -9.4 | 0 | 0 | 0 | 109.7 | | |
| 776 | L | 37.3 | Very low | 33 | Very low | 138 Ų | 138 | 126 Ų | 126 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | | | trans | -121.8 | 66.2 | -166.7 | -71.4 | 173.3 | 0 | 0 | 0 | 111.2 | R778 | L776-R778 VanDerWaalsContact C-N 3.28Å; L776-R778 PolarHBondContact O-N 2.91Å |
| 777 | S | 39.2 | Very low | 32.7 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | | | trans | -69.2 | 82.6 | 168.6 | -47.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 778 | R | 31 | Very low | 32.6 | Very low | 227 Ų | 227 | 125.4 Ų | 125.4 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | | | trans | -131.7 | 26.9 | 179.2 | -147.1 | -158.9 | 169.7 | -177.9 | -3.1 | 115.6 | L776 | L776-R778 VanDerWaalsContact C-N 3.28Å; L776-R778 PolarHBondContact O-N 2.91Å |
| 779 | E | 31.9 | Very low | 32.6 | Very low | 168 Ų | 168 | 131.5 Ų | 131.5 | 79% | 0.785 | 71% | 0.713 | S | S | * | * | | | trans | -121 | 138.1 | 160.6 | -87.7 | 71.3 | -157.7 | 0 | 0 | 107 | | |
| 780 | S | 32.3 | Very low | 32.7 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | | | cis | -145 | 161.3 | -11.1 | -68.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 781 | C | 30.8 | Very low | 32.8 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | | | | 168.1 | -177 | 86.3 | -106.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 782 | S | 29.6 | Very low | 32.8 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 60% | 0.601 | 73% | 0.725 | S | S | * | * | | | trans | 64.9 | 100.6 | 157.5 | -63 | 0 | 0 | 0 | 0 | 118.9 | | |
| 783 | R | 26.3 | Very low | 32.9 | Very low | 156 Ų | 156 | 148.3 Ų | 148.3 | 59% | 0.589 | 73% | 0.732 | S | S | * | * | | | trans | -116.4 | 114 | 168.9 | 179 | -170.7 | 177.8 | -156.7 | -6.2 | 108.3 | A1435 D1436 H1437 | R783-A1435 PolarHBondContact NH2-O 3.43Å; R783-D1436 PolarHBondContact NH2-O 3.34Å; R783-H1437 HydrophobicContact CG-CB 3.75Å; R783-H1437 PolarHBondContact NH1-CD2 2.88Å |
| 784 | S | 30.9 | Very low | 33.1 | Very low | 48 Ų | 48 | 147.1 Ų | 147.1 | 34% | 0.336 | 73% | 0.732 | S | S | . | * | | | trans | -153.9 | 109.9 | -159.8 | 35.8 | 0 | 0 | 0 | 0 | 115.8 | Y1439 | S784-Y1439 WeakPolarHBondContact CB-O 3.23Š|
| 785 | S | 30.6 | Very low | 33 | Very low | 50 Ų | 50 | 145.5 Ų | 145.5 | 35% | 0.35 | 73% | 0.731 | S | S | . | * | | | trans | 66.1 | 136.3 | 160.7 | -103.5 | 0 | 0 | 0 | 0 | 116.5 | H1437 Y1439 | S785-H1437 WeakPolarHBondContact CA-O 3.15Å; S785-H1437 PolarHBondContact N-O 2.76Å; S785-Y1439 PolarHBondContact OG-N 3.34Å |
| 786 | L | 36.7 | Very low | 33 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | | | cis | -148 | 178.5 | 33.1 | -106.7 | 167.4 | 0 | 0 | 0 | 112.9 | | |
| 787 | N | 33.6 | Very low | 32.6 | Very low | 98 Ų | 98 | 145.4 Ų | 145.4 | 52% | 0.524 | 73% | 0.734 | S | S | . | * | | | trans | -87.5 | 155.9 | -170.1 | -64.9 | -46.5 | 0 | 0 | 0 | 115.8 | H1438 | N787-H1438 PolarHBondContact ND2-NE2 2.81Š|
| 788 | N | 32 | Very low | 32.2 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | | | trans | -61.9 | 151.5 | 156 | -77.2 | -78.1 | 0 | 0 | 0 | 111.2 | | |
| 789 | K | 34 | Very low | 32 | Very low | 207 Ų | 207 | 139 Ų | 139 | 90% | 0.9 | 72% | 0.724 | S | S | * | * | | | trans | -118.9 | 148.8 | 166.6 | -155.9 | 163.4 | -175.1 | 174.5 | 0 | 110.9 | | |
| 790 | T | 35.8 | Very low | 32 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 84% | 0.84 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 148.8 | -151.7 | -48.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 791 | R | 35.3 | Very low | 31.8 | Very low | 230 Ų | 230 | 138.8 Ų | 138.8 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 148 | 170.2 | 165.3 | 178.5 | 161.9 | -175 | -3.7 | 113.1 | | |
| 792 | R | 30.8 | Very low | 31.8 | Very low | 221 Ų | 221 | 137 Ų | 137 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 137.7 | 176.3 | -53.3 | 173.8 | 78 | 165.5 | 6 | 113 | | |
| 793 | Q | 34.5 | Very low | 31.8 | Very low | 188 Ų | 188 | 144.1 Ų | 144.1 | 88% | 0.879 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 144.3 | 158.1 | -69.8 | 176.4 | -29.9 | 0 | 0 | 109 | | |
| 794 | N | 35.2 | Very low | 32.1 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | -118.8 | 148.4 | 164 | -80.8 | 30.3 | 0 | 0 | 0 | 107.9 | | |
| 795 | E | 28.9 | Very low | 32.2 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -72.8 | 144.5 | -179.7 | -59 | 158.8 | 104.2 | 0 | 0 | 112.3 | | |
| 796 | I | 35.9 | Very low | 32.1 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | -132.1 | 138.7 | 137.5 | -63.1 | -173.8 | 0 | 0 | 0 | 106.7 | | |
| 797 | T | 29.5 | Very low | 31.9 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 63% | 0.632 | 80% | 0.797 | S | S | * | * | | | trans | -98.4 | -177.1 | -167.9 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 798 | S | 30.1 | Very low | 31.9 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | trans | 105.1 | 98.6 | 146.3 | -54.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 799 | S | 27.6 | Very low | 31.9 | Very low | 114 Ų | 114 | 149.4 Ų | 149.4 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | | 89 | 160.6 | 126 | -57.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 800 | V | 31.1 | Very low | 32 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | | | trans | 71.5 | 87 | -171.9 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 801 | S | 27.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | | 81.2 | 111.7 | 69.3 | -169.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 802 | G | 32.1 | Very low | 31.9 | Very low | 77 Ų | 77 | 142.8 Ų | 142.8 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 170.3 | 97 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 803 | R | 29.2 | Very low | 32.1 | Very low | 236 Ų | 236 | 139.2 Ų | 139.2 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | | | trans | -94.5 | 171.3 | 170.1 | -74.9 | -171.5 | 174.6 | -156.8 | 0.3 | 109.9 | | |
| 804 | C | 31.7 | Very low | 32.2 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | 79.2 | 134.9 | 163.3 | -56.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 805 | L | 34.8 | Very low | 32.2 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | cis | -128.1 | 152.9 | 0.2 | -72.8 | 175.1 | 0 | 0 | 0 | 112.1 | | |
| 806 | D | 28.2 | Very low | 32.6 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -81.6 | 145.2 | 160.2 | -172.7 | -7 | 0 | 0 | 0 | 109 | S808 | D806-S808 PolarHBondContact OD1-N 3.17Å; D806-S808 VanDerWaalsContact OD1-N 3.14Å; D806-S808 PolarHBondContact OD1-OG 3.14Å |
| 807 | S | 32.4 | Very low | 32.6 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -162.8 | 58.9 | 170.7 | -75.8 | 0 | 0 | 0 | 0 | 109.9 | N809 | S807-N809 PolarHBondContact O-N 3.45Š|
| 808 | S | 32.4 | Very low | 32.8 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -59.1 | 112 | 168.6 | -62 | 0 | 0 | 0 | 0 | 110.6 | D806 | D806-S808 PolarHBondContact OD1-N 3.17Å; D806-S808 VanDerWaalsContact OD1-N 3.14Å; D806-S808 PolarHBondContact OD1-OG 3.14Å |
| 809 | N | 32.2 | Very low | 33 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -102.4 | 91.3 | -174.7 | -148.8 | 12.2 | 0 | 0 | 0 | 110.6 | S807 N811 | S807-N809 PolarHBondContact O-N 3.45Å; N809-N811 PolarHBondContact O-N 3.28Å |
| 810 | S | 36 | Very low | 33.5 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -80.8 | 104.4 | -176.5 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | E812 | S810-E812 PolarHBondContact O-N 2.84Š|
| 811 | N | 34.5 | Very low | 33.4 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | | | trans | -78.4 | 97.9 | 171.8 | -83.3 | -20 | 0 | 0 | 0 | 111.2 | N809 | N809-N811 PolarHBondContact O-N 3.28Š|
| 812 | E | 35.9 | Very low | 33.8 | Very low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | trans | -141 | 156 | 165.1 | -75.7 | -156.1 | 151 | 0 | 0 | 113.7 | S810 | S810-E812 PolarHBondContact O-N 2.84Š|
| 813 | N | 34.5 | Very low | 33.8 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | 73.9 | 115.8 | 170.4 | -63.6 | -67.8 | 0 | 0 | 0 | 118 | | |
| 814 | L | 35.8 | Very low | 33.9 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -79.1 | 125.7 | 178.8 | -67.3 | 81.2 | 0 | 0 | 0 | 111 | V816 | L814-V816 HydrophobicContact CB-CG2 4.32Å; L814-V816 PolarHBondContact O-N 3.14Å |
| 815 | S | 35.5 | Very low | 33.8 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | -77.7 | 111.3 | 167.1 | -176.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 816 | V | 37 | Very low | 33.7 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | | | trans | -128.4 | 84.2 | 173.1 | -172.5 | 0 | 0 | 0 | 0 | 110.2 | L814 | L814-V816 HydrophobicContact CB-CG2 4.32Å; L814-V816 PolarHBondContact O-N 3.14Å |
| 817 | R | 37.3 | Very low | 34 | Very low | 245 Ų | 245 | 142.6 Ų | 142.6 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | | | trans | -140.9 | 141 | 160.2 | -146.9 | 162.9 | -176.8 | 147.3 | 0.2 | 111 | | |
| 818 | K | 32.5 | Very low | 34 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -80.6 | 155.1 | -160.4 | -73 | -179.9 | 178 | 178.6 | 0 | 113.4 | | |
| 819 | P | 34.8 | Very low | 34.1 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -76.9 | 156.7 | -178.3 | 32.9 | -37.1 | 0 | 0 | 0 | 112.7 | | |
| 820 | V | 38.1 | Very low | 34.3 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -127.4 | 133.4 | 161.3 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 821 | V | 29.1 | Very low | 34.1 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | | | trans | -81.6 | 137.8 | 179.8 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 822 | C | 35.1 | Very low | 33.8 | Very low | 112 Ų | 112 | 147.5 Ų | 147.5 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | | | trans | -167 | 122.9 | 138 | -109.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 823 | T | 33.5 | Very low | 33.8 | Very low | 110 Ų | 110 | 145 Ų | 145 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | | | trans | 25.7 | 113.5 | 137 | 60.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 824 | N | 31.5 | Very low | 33.8 | Very low | 159 Ų | 159 | 147 Ų | 147 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | | -164.6 | 130.3 | 90.8 | -105.6 | -14.2 | 0 | 0 | 0 | 113.7 | | |
| 825 | S | 28.1 | Very low | 33.6 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | | | trans | -86.1 | 106.4 | 172.7 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 826 | Q | 34.2 | Very low | 33.4 | Very low | 196 Ų | 196 | 151 Ų | 151 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | -146.1 | 120.7 | 157.9 | -119.7 | 167.2 | 33.8 | 0 | 0 | 114.3 | | |
| 827 | S | 34.1 | Very low | 33.3 | Very low | 98 Ų | 98 | 150.7 Ų | 150.7 | 69% | 0.685 | 81% | 0.811 | S | S | * | * | | | trans | -42.4 | 140.2 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 116.3 | N829 | S827-N829 PolarHBondContact O-N 3.39Š|
| 828 | S | 32.7 | Very low | 33.3 | Very low | 95 Ų | 95 | 144.3 Ų | 144.3 | 66% | 0.664 | 81% | 0.805 | S | S | * | * | | | trans | -64.7 | 92.8 | 168 | 43.3 | 0 | 0 | 0 | 0 | 112.3 | N830 | S828-N830 PolarHBondContact O-N 2.93Š|
| 829 | N | 34.3 | Very low | 33.3 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | | | trans | -76.4 | 72.6 | 171.2 | -105.5 | -49.1 | 0 | 0 | 0 | 111.9 | S827 R831 | S827-N829 PolarHBondContact O-N 3.39Å; N829-R831 PolarHBondContact O-N 2.92Å |
| 830 | N | 35.2 | Very low | 33.5 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | -65.1 | 91.7 | 170.2 | -76.8 | -31.2 | 0 | 0 | 0 | 110.2 | S828 | S828-N830 PolarHBondContact O-N 2.93Š|
| 831 | R | 33 | Very low | 33.2 | Very low | 229 Ų | 229 | 147.4 Ų | 147.4 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -134.1 | 55.5 | -176.9 | -140.1 | 175.1 | -165.2 | -174.3 | 5.8 | 115 | N829 | N829-R831 PolarHBondContact O-N 2.92Š|
| 832 | S | 28.1 | Very low | 33.5 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -93.9 | 160.5 | 152.9 | -72.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 833 | P | 36.4 | Very low | 33.4 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | cis | -114.9 | 156.5 | -1.2 | 38.8 | -28.2 | 0 | 0 | 0 | 113.3 | | |
| 834 | K | 33.4 | Very low | 33.4 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | | | trans | -152.4 | 59.4 | 168.3 | -154 | 166.1 | -172.9 | 172.2 | 0 | 114.6 | R836 | K834-R836 VanDerWaalsContact C-N 3.32Å; K834-R836 PolarHBondContact O-N 2.89Å |
| 835 | T | 31.5 | Very low | 33.7 | Very low | 149 Ų | 149 | 150 Ų | 150 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | | | trans | -71.1 | 84.9 | 166.4 | 47.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 836 | R | 32.3 | Very low | 33.9 | Very low | 224 Ų | 224 | 155.1 Ų | 155.1 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -111.8 | 125.4 | 169 | -152.3 | 177.4 | -164.3 | -176 | 5.7 | 109.5 | K834 | K834-R836 VanDerWaalsContact C-N 3.32Å; K834-R836 PolarHBondContact O-N 2.89Å |
| 837 | S | 34.4 | Very low | 33.8 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -69.2 | 143.2 | -175.9 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 838 | S | 37.1 | Very low | 34.1 | Very low | 112 Ų | 112 | 155.9 Ų | 155.9 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -146.7 | 146.8 | 140.8 | -167.9 | 0 | 0 | 0 | 0 | 110 | | |
| 839 | K | 32.9 | Very low | 34.2 | Very low | 194 Ų | 194 | 157.5 Ų | 157.5 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | trans | -99.8 | 132.7 | 173.5 | -68.2 | 176.2 | 179.5 | 175 | 0 | 108.6 | | |
| 840 | H | 39.5 | Very low | 34.2 | Very low | 176 Ų | 176 | 159.5 Ų | 159.5 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | | | trans | -130.6 | 131 | 147.2 | -98.9 | -91.3 | 0 | 0 | 0 | 108.7 | | |
| 841 | N | 30.4 | Very low | 34.3 | Very low | 155 Ų | 155 | 160 Ų | 160 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | trans | -133 | 80.2 | -175 | -178.6 | 14.1 | 0 | 0 | 0 | 109.5 | | |
| 842 | T | 36.9 | Very low | 34.1 | Very low | 103 Ų | 103 | 153.4 Ų | 153.4 | 63% | 0.632 | 79% | 0.787 | S | S | * | * | | | trans | -163.4 | 140.9 | 179.7 | 43.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 843 | K | 32.7 | Very low | 34.4 | Very low | 175 Ų | 175 | 153 Ų | 153 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | cis | -165.7 | 150.5 | -6.5 | -120.8 | 176.2 | 176.9 | 179.4 | 0 | 107.6 | | |
| 844 | I | 32.6 | Very low | 34.1 | Very low | 123 Ų | 123 | 155.6 Ų | 155.6 | 63% | 0.631 | 79% | 0.792 | S | S | * | * | | | trans | 56.6 | 112.3 | 149.9 | -55.1 | 160.4 | 0 | 0 | 0 | 117.9 | | |
| 845 | M | 38.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 152 Ų | 152 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | | | | 179.3 | 109.8 | 123.1 | -93.9 | -48.7 | 164.1 | 0 | 0 | 105.9 | | |
| 846 | R | 32.3 | Very low | 34 | Very low | 228 Ų | 228 | 150.4 Ų | 150.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | | 35.8 | 101.3 | 73.3 | -69.6 | -172.6 | 179.8 | 171.8 | -0.7 | 110.4 | | |
| 847 | G | 32.1 | Very low | 33.9 | Very low | 75 Ų | 75 | 146.9 Ų | 146.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | cis | 111.1 | 111.1 | 31.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 848 | R | 40.3 | Very low | 33.7 | Very low | 236 Ų | 236 | 146.4 Ų | 146.4 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | -139.1 | 108.9 | 176.3 | 176.2 | 173.6 | -73.2 | 165.7 | -3.5 | 107.5 | | |
| 849 | D | 33.8 | Very low | 33.3 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | | | trans | -68.2 | 161.5 | 174.3 | -43.7 | -88.3 | 0 | 0 | 0 | 110.4 | | |
| 850 | H | 35.9 | Very low | 33.3 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | | -166.5 | 132.2 | 124.7 | -94.5 | -56.6 | 0 | 0 | 0 | 111.6 | | |
| 851 | H | 36.1 | Very low | 32.7 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -59.7 | 128.9 | 165.5 | -70.6 | -80.9 | 0 | 0 | 0 | 109.6 | | |
| 852 | S | 29.4 | Very low | 32.8 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | | | | 76.3 | 130.4 | 63.9 | 83.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 853 | S | 33.6 | Very low | 32.4 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | 56.6 | 115 | 166.6 | 59 | 0 | 0 | 0 | 0 | 119.6 | | |
| 854 | N | 31.3 | Very low | 32.3 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | | | | -154.4 | 145.8 | 124.3 | -108.1 | -21.4 | 0 | 0 | 0 | 110.6 | | |
| 855 | C | 27.2 | Very low | 32.2 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 76% | 0.757 | 79% | 0.786 | S | S | * | * | | | trans | -148.7 | 110.7 | -176.8 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 856 | S | 35 | Very low | 31.7 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -145.8 | 121.2 | 170.2 | -65.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 857 | N | 29.9 | Very low | 31.6 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | | 81.8 | 107.7 | 61.4 | -73.9 | -3.4 | 0 | 0 | 0 | 114.4 | | |
| 858 | S | 29.9 | Very low | 31.6 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 88.7 | 115.2 | 141.4 | -54.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 859 | S | 28.5 | Very low | 31 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | 65.2 | 107.2 | 132.7 | 61 | 0 | 0 | 0 | 0 | 122.5 | | |
| 860 | T | 33.2 | Very low | 31 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | -168.8 | 121.5 | 140.5 | 10.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 861 | S | 28.1 | Very low | 30.7 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | | 85.4 | 141 | 74.4 | -63.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 862 | A | 32.3 | Very low | 30.5 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | | | trans | 82.6 | 100.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 863 | S | 28.7 | Very low | 30.8 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | | 81.6 | 138.8 | 117.1 | -57 | 0 | 0 | 0 | 0 | 124.3 | | |
| 864 | T | 30.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | | | trans | 71.9 | 98.9 | 147 | 43.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 865 | S | 29.9 | Very low | 31 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | | 66.9 | 96.7 | 115.2 | -51.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 866 | R | 28.6 | Very low | 31 | Very low | 255 Ų | 255 | 133.1 Ų | 133.1 | 96% | 0.962 | 79% | 0.792 | S | S | * | * | | | | -169.9 | 158.5 | 101.7 | -112.5 | 177.2 | 162.2 | 166.1 | -5.5 | 113.9 | | |
| 867 | S | 29.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -105 | 132.2 | -174 | -42.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 868 | N | 31.5 | Very low | 31.1 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | trans | 172.8 | 113.4 | 147.8 | -87.8 | -13.5 | 0 | 0 | 0 | 105.6 | | |
| 869 | S | 29.2 | Very low | 31.3 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | | 61.9 | 124.4 | 69 | 80.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 870 | Y | 32.1 | Very low | 31.4 | Very low | 229 Ų | 229 | 134.2 Ų | 134.2 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | cis | -121.9 | 153.9 | 13.2 | -104.2 | -96.7 | 0 | 0 | 0 | 114.6 | | |
| 871 | E | 30.6 | Very low | 31.5 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | -81.8 | 113.4 | 177.3 | -170.8 | 166.7 | -172.4 | 0 | 0 | 109.5 | | |
| 872 | A | 32.2 | Very low | 31.7 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | | | | 77.2 | 128.6 | 96.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 873 | P | 35.8 | Very low | 31.8 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -94.1 | 166.5 | -175.8 | 37.7 | -36.5 | 0 | 0 | 0 | 114.4 | | |
| 874 | N | 32.6 | Very low | 31.8 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | 64.4 | 89.4 | 160.1 | -62.2 | -26.6 | 0 | 0 | 0 | 118.6 | | |
| 875 | V | 34.7 | Very low | 31.9 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -131 | 112.7 | 142.5 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 876 | C | 27.6 | Very low | 32.1 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | -92.4 | 130.1 | 161.3 | -70.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 877 | N | 31.4 | Very low | 32.6 | Very low | 149 Ų | 149 | 145.5 Ų | 145.5 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -172.5 | 160 | 140 | -109.3 | -46.3 | 0 | 0 | 0 | 115 | | |
| 878 | T | 36.1 | Very low | 32.8 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | 51.5 | 105.2 | 166.2 | 54.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 879 | S | 33.9 | Very low | 33.1 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | | | | 80.4 | 115.3 | 56.3 | 80.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 880 | N | 30.2 | Very low | 33.3 | Very low | 147 Ų | 147 | 155.1 Ų | 155.1 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | 63.9 | 93.5 | 144.8 | -59.1 | -28.8 | 0 | 0 | 0 | 121 | | |
| 881 | K | 36.7 | Very low | 33.7 | Very low | 204 Ų | 204 | 150.8 Ų | 150.8 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | -168.6 | 132.2 | 130.2 | -91 | 134.4 | -170.6 | 175.1 | 0 | 107.7 | | |
| 882 | K | 30.9 | Very low | 33.8 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | cis | 99.5 | 122.8 | 32.4 | -169.2 | -173.7 | -175.7 | 173.2 | 0 | 112 | | |
| 883 | K | 35 | Very low | 34.1 | Very low | 196 Ų | 196 | 151.8 Ų | 151.8 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | | | trans | 82.4 | 161.6 | 178.7 | -52.9 | -178.7 | -175.4 | 178.1 | 0 | 116.2 | | |
| 884 | R | 29.2 | Very low | 34 | Very low | 225 Ų | 225 | 153.6 Ų | 153.6 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | | | cis | 179.2 | 135.7 | -37.4 | -170.9 | 177.2 | -167.3 | 173.7 | 3.6 | 108.1 | | |
| 885 | S | 31.9 | Very low | 34.1 | Very low | 106 Ų | 106 | 153.2 Ų | 153.2 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | | | trans | 58.5 | 174.3 | 170.1 | 55.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 886 | T | 35.3 | Very low | 34.1 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | cis | -157.3 | 173.1 | 21.1 | -31.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 887 | N | 37.6 | Very low | 34.6 | Very low | 145 Ų | 145 | 153.1 Ų | 153.1 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | 67.7 | 126.8 | -179.2 | -64.4 | -7.1 | 0 | 0 | 0 | 115 | | |
| 888 | R | 34 | Very low | 34.5 | Very low | 231 Ų | 231 | 151 Ų | 151 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | cis | 70.5 | 110.5 | 28.2 | -60.6 | -170.3 | 177.1 | 174.7 | -0.9 | 115.8 | | |
| 889 | H | 37.5 | Very low | 34.2 | Very low | 195 Ų | 195 | 156 Ų | 156 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | | | trans | -134.8 | 164.2 | 149.8 | -141.6 | 47.2 | 0 | 0 | 0 | 108.7 | | |
| 890 | I | 34 | Very low | 34.3 | Very low | 125 Ų | 125 | 160.8 Ų | 160.8 | 64% | 0.641 | 82% | 0.815 | S | S | * | * | | | trans | -137.6 | 135.2 | -162.5 | -59.4 | 168 | 0 | 0 | 0 | 110.1 | | |
| 891 | T | 40.9 | Very low | 34.5 | Very low | 137 Ų | 137 | 161.4 Ų | 161.4 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | -175.3 | 177.6 | 143.6 | 16 | 0 | 0 | 0 | 0 | 110.6 | | |
| 892 | H | 32.9 | Very low | 34.5 | Very low | 172 Ų | 172 | 159.2 Ų | 159.2 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | | | trans | -127.7 | 154 | -154.7 | -48.6 | -99.2 | 0 | 0 | 0 | 114.3 | | |
| 893 | S | 38.6 | Very low | 34.4 | Very low | 116 Ų | 116 | 156.4 Ų | 156.4 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | | | trans | -155.3 | 161.7 | 157.9 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 894 | N | 33.1 | Very low | 34.3 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -63.7 | 145.8 | -170.9 | -64.4 | -9.2 | 0 | 0 | 0 | 112.5 | | |
| 895 | V | 34.1 | Very low | 34.4 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | cis | 74.5 | 94.3 | 38.3 | -174.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 896 | G | 35.3 | Very low | 34.4 | Very low | 69 Ų | 69 | 150.9 Ų | 150.9 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -167.5 | 99.3 | 167 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 897 | M | 37.7 | Very low | 34.1 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | trans | -145.2 | 134 | -171.9 | -80.4 | -67.4 | -154.3 | 0 | 0 | 110.5 | | |
| 898 | S | 30.9 | Very low | 34 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | trans | -143.6 | 109.4 | 170.4 | 55.4 | 0 | 0 | 0 | 0 | 110 | | |
| 899 | Y | 29.4 | Very low | 33.9 | Very low | 225 Ų | 225 | 146.4 Ų | 146.4 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | 29.2 | 110.9 | 153.8 | -53.4 | -81.4 | 0 | 0 | 0 | 119.6 | | |
| 900 | E | 34.7 | Very low | 33.5 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -156.3 | 126.6 | 133.5 | -111.5 | 152.8 | -165.1 | 0 | 0 | 111.8 | | |
| 901 | D | 35.8 | Very low | 33.6 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | 35.2 | 138.5 | 168.8 | -67 | -22.5 | 0 | 0 | 0 | 125.2 | | |
| 902 | N | 35.2 | Very low | 33.1 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -115.9 | 133.5 | -173.8 | -72.4 | -91.4 | 0 | 0 | 0 | 113.2 | | |
| 903 | S | 29.1 | Very low | 33.4 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -175.2 | 146.8 | 139.8 | -87.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 904 | P | 34.1 | Very low | 33.2 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | | | cis | -131.6 | 168.9 | 12.6 | 41.8 | -26.8 | 0 | 0 | 0 | 116.6 | | |
| 905 | N | 30.4 | Very low | 33.2 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 80% | 0.8 | S | S | * | * | | | trans | 64.3 | 113.9 | 148.5 | -78.6 | -40.4 | 0 | 0 | 0 | 122.5 | | |
| 906 | Q | 31.9 | Very low | 33.2 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | | 72.4 | 110.3 | 127.1 | -61.8 | 173.9 | 37.3 | 0 | 0 | 121 | | |
| 907 | S | 28.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 152 Ų | 152 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | | -156 | 134.8 | 116.2 | 61.9 | 0 | 0 | 0 | 0 | 114 | | |
| 908 | S | 35 | Very low | 33.7 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | 23.2 | 121.4 | 146.5 | 177 | 0 | 0 | 0 | 0 | 121.5 | | |
| 909 | Q | 33.4 | Very low | 33.8 | Very low | 170 Ų | 170 | 147.7 Ų | 147.7 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -136.9 | 142.5 | 136.6 | -85.2 | -153.1 | 11.5 | 0 | 0 | 111.2 | | |
| 910 | F | 29.5 | Very low | 34 | Very low | 190 Ų | 190 | 144.2 Ų | 144.2 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | | | trans | 32 | 135.5 | 158.2 | -69.1 | -93.4 | 0 | 0 | 0 | 120.4 | | |
| 911 | A | 35.6 | Very low | 34 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | cis | -151.4 | 163.2 | 22.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 912 | H | 30.5 | Very low | 33.9 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | | | trans | -78.4 | 139.5 | 169.8 | -83.1 | -99.9 | 0 | 0 | 0 | 112.3 | | |
| 913 | F | 38.9 | Very low | 33.9 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -161 | 121.8 | 137.7 | -93.8 | -65.7 | 0 | 0 | 0 | 110.7 | | |
| 914 | R | 34 | Very low | 33.9 | Very low | 222 Ų | 222 | 135.6 Ų | 135.6 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | trans | 50.1 | 147.6 | 145.2 | -66.7 | 173.7 | -177.9 | -179.1 | -0.4 | 120.3 | | |
| 915 | S | 33 | Very low | 34 | Very low | 85 Ų | 85 | 136 Ų | 136 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | | | cis | -167.2 | 132.2 | -17.1 | -111.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 916 | D | 34.6 | Very low | 34.4 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 59.8 | 175.3 | 138 | -50.9 | -58.7 | 0 | 0 | 0 | 121.1 | | |
| 917 | D | 40.8 | Very low | 34.5 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | 71.3 | 92.3 | 164.4 | -65.3 | -19.3 | 0 | 0 | 0 | 123.5 | | |
| 918 | T | 42.8 | Very low | 34.8 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | | 91.6 | 143.5 | 119.9 | 62.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 919 | G | 31.7 | Very low | 35 | Very low | 69 Ų | 69 | 142.2 Ų | 142.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | 84.9 | 82.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 920 | D | 35.3 | Very low | 35.1 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | | 64.2 | 143.3 | 50 | -160 | 24.4 | 0 | 0 | 0 | 115.3 | | |
| 921 | S | 34.7 | Very low | 35.4 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | 62.5 | 126.1 | -170.5 | 67.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 922 | S | 31.8 | Very low | 35.5 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | cis | 71.7 | 111.2 | 33.9 | -50.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 923 | D | 35.7 | Very low | 36 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | | 171.2 | 172 | 101.2 | -160.4 | 8.8 | 0 | 0 | 0 | 111.1 | | |
| 924 | S | 30.2 | Very low | 36.1 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | | | trans | 36.5 | 98.4 | 156.5 | 64.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 925 | S | 35.8 | Very low | 36 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | | 59.1 | 99.7 | 80.3 | 74.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 926 | D | 37.7 | Very low | 36.1 | Very low | 161 Ų | 161 | 136.6 Ų | 136.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | | -150.4 | 148.5 | 129.8 | -146 | -15.1 | 0 | 0 | 0 | 112.1 | | |
| 927 | Q | 34.4 | Very low | 36.3 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -110.1 | 100.8 | 175.7 | -75 | -173 | -4.9 | 0 | 0 | 110.6 | | |
| 928 | Q | 36.4 | Very low | 36 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -142.7 | 146.9 | 153.8 | -86.6 | -52.9 | -33 | 0 | 0 | 112.7 | | |
| 929 | N | 38.4 | Very low | 35.9 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -86.4 | 124.8 | -178.9 | -84.9 | -91.8 | 0 | 0 | 0 | 111.6 | A931 | N929-A931 PolarHBondContact O-N 3.12Š|
| 930 | R | 35.3 | Very low | 36.2 | Very low | 221 Ų | 221 | 138.3 Ų | 138.3 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | 53.7 | 63.8 | 132.8 | -159 | -178.6 | -161.8 | 151 | 5.8 | 116.1 | | |
| 931 | A | 35.5 | Very low | 36.2 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | trans | -62.4 | 141.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | N929 | N929-A931 PolarHBondContact O-N 3.12Š|
| 932 | L | 37.2 | Very low | 36.3 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -83.1 | 155.9 | 176.6 | -72.8 | 173.1 | 0 | 0 | 0 | 111.2 | A934 | L932-A934 PolarHBondContact O-N 3.47Š|
| 933 | P | 42.2 | Very low | 36.6 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 107.6 | -179.7 | -17.5 | 31.5 | 0 | 0 | 0 | 111.3 | | |
| 934 | A | 39.6 | Very low | 36.4 | Very low | 74 Ų | 74 | 142.6 Ų | 142.6 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | | | trans | -89.7 | 128.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | L932 Y936 | L932-A934 PolarHBondContact O-N 3.47Å; A934-Y936 VanDerWaalsContact C-N 3.29Å; A934-Y936 HydrophobicContact CB-CD2 4.39Å; A934-Y936 PolarHBondContact O-N 3.27Å |
| 935 | A | 32.2 | Very low | 36.8 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -75.3 | 78.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 936 | Y | 36.7 | Very low | 36.6 | Very low | 216 Ų | 216 | 148.9 Ų | 148.9 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | -138.5 | 133.6 | 164 | -69.5 | -92.7 | 0 | 0 | 0 | 106.1 | A934 | A934-Y936 VanDerWaalsContact C-N 3.29Å; A934-Y936 HydrophobicContact CB-CD2 4.39Å; A934-Y936 PolarHBondContact O-N 3.27Å |
| 937 | A | 38.4 | Very low | 36.4 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | | | cis | -147.4 | 179.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 938 | N | 33.3 | Very low | 36.5 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | | | cis | -153.2 | 157.1 | 9.8 | -138.9 | 7.5 | 0 | 0 | 0 | 107.5 | | |
| 939 | P | 41.3 | Very low | 36.3 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | trans | -77.8 | 140.3 | 179.7 | 31.8 | -32.4 | 0 | 0 | 0 | 111.7 | Q941 | P939-Q941 PolarHBondContact O-N 2.89Š|
| 940 | H | 37.2 | Very low | 36.2 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 89% | 0.889 | 77% | 0.774 | S | S | * | * | | | trans | -71.8 | 124.7 | 163.1 | -87.7 | -99.9 | 0 | 0 | 0 | 109.6 | | |
| 941 | Q | 36.8 | Very low | 36.3 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -111 | 131.7 | 164.6 | -70 | -170.1 | -11.9 | 0 | 0 | 109.2 | P939 | P939-Q941 PolarHBondContact O-N 2.89Š|
| 942 | S | 37.3 | Very low | 36.4 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | -153.4 | 132.2 | 165.7 | 53 | 0 | 0 | 0 | 0 | 110.4 | | |
| 943 | D | 37.5 | Very low | 36.2 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | | | trans | 66.4 | 144.6 | 177.4 | -65.2 | -42.7 | 0 | 0 | 0 | 119.8 | | |
| 944 | R | 31.7 | Very low | 35.8 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | | | cis | 161.1 | 168.2 | -37.2 | 171.8 | -174.2 | -164.1 | 168.7 | 1.7 | 109.3 | | |
| 945 | H | 38.3 | Very low | 36 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 70% | 0.704 | 77% | 0.773 | S | S | * | * | | | trans | 71.2 | 114.1 | -175 | -47.8 | -81.4 | 0 | 0 | 0 | 112.5 | | |
| 946 | Q | 30.9 | Very low | 36.8 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | | | cis | 78.8 | 148.7 | 42.2 | -66.3 | -161.3 | -11.3 | 0 | 0 | 115.8 | | |
| 947 | S | 34.5 | Very low | 37.7 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | | | trans | 86.7 | 143.6 | 179.6 | -37 | 0 | 0 | 0 | 0 | 113.8 | | |
| 948 | H | 36.2 | Very low | 38 | Very low | 178 Ų | 178 | 136 Ų | 136 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | cis | -135.8 | 139 | 14.7 | -62.9 | -99.2 | 0 | 0 | 0 | 114.5 | | |
| 949 | S | 31.8 | Very low | 38.5 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | | 49 | 132.1 | 123.1 | -152 | 0 | 0 | 0 | 0 | 124.3 | | |
| 950 | S | 37.5 | Very low | 38.3 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 67.3 | 147.3 | 134 | 56.2 | 0 | 0 | 0 | 0 | 123.3 | | |
| 951 | G | 36.8 | Very low | 38.5 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | 109.3 | 99.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 952 | D | 36.5 | Very low | 38.4 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | cis | 61.2 | 133.4 | 32.9 | -76.6 | -19.3 | 0 | 0 | 0 | 116.1 | | |
| 953 | V | 33.1 | Very low | 38 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | cis | -163.8 | 161.7 | -34.1 | 114.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 954 | E | 34.8 | Very low | 37.5 | Very low | 180 Ų | 180 | 134 Ų | 134 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | 74 | 136.3 | 167.8 | -146.9 | 162 | -161.5 | 0 | 0 | 120.9 | | |
| 955 | P | 44 | Very low | 37.6 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -102.6 | -177.2 | 178.4 | 43.1 | -36.6 | 0 | 0 | 0 | 113.6 | | |
| 956 | P | 48.9 | Very low | 37.1 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -98.7 | 163.5 | -152.5 | 38.3 | -37.6 | 0 | 0 | 0 | 117.4 | | |
| 957 | P | 55.4 | Low | 37 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | trans | -82 | 171.5 | 168.7 | 35.6 | -36.6 | 0 | 0 | 0 | 113.9 | | |
| 958 | A | 43.4 | Very low | 36.6 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -136.8 | -163.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 959 | P | 45.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | | -118.8 | 162.6 | -62.1 | 35.1 | -23.7 | 0 | 0 | 0 | 112.7 | | |
| 960 | S | 36.2 | Very low | 35.9 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | | | trans | -164.7 | 163 | 161.4 | -92.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 961 | P | 41.8 | Very low | 35.2 | Very low | 107 Ų | 107 | 121.2 Ų | 121.2 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | trans | -126.3 | 156.9 | -158.7 | 40.5 | -25.8 | 0 | 0 | 0 | 117.8 | | |
| 962 | R | 35 | Very low | 35.1 | Very low | 247 Ų | 247 | 123.2 Ų | 123.2 | 93% | 0.932 | 77% | 0.773 | S | S | * | * | | | trans | -138.7 | 122.5 | 146.6 | -76 | -178.8 | 168.6 | -175.9 | -4.8 | 106.4 | | |
| 963 | S | 27.9 | Very low | 34.6 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | cis | 89.1 | 117.5 | 37 | -57.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 964 | S | 27.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | 53.8 | 111.1 | 159.4 | 58.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 965 | S | 33.1 | Very low | 34 | Very low | 108 Ų | 108 | 121.8 Ų | 121.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | | -179.2 | 148.2 | 106 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 966 | S | 29.6 | Very low | 33.5 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | 54.5 | 118.3 | 160.5 | 50.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 967 | S | 27.4 | Very low | 32.7 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | | 68.7 | 132.8 | 86.1 | -50.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 968 | T | 26.7 | Very low | 31.4 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | | | cis | -156 | 148.9 | 16.7 | -18.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 969 | S | 25.4 | Very low | 30.7 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | trans | 25.4 | 110.4 | 147.8 | 60 | 0 | 0 | 0 | 0 | 120.4 | | |
| 970 | S | 27 | Very low | 30 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | | 155.7 | 148.8 | 120.7 | -76.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 971 | S | 24.2 | Very low | 29.6 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | cis | -167.5 | 158.3 | -20.3 | -97.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 972 | S | 33 | Very low | 29.1 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | 41.5 | 81.3 | 163.5 | 54.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 973 | S | 27.6 | Very low | 29 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | | 50.4 | 94.3 | 63.3 | -152 | 0 | 0 | 0 | 0 | 110.5 | | |
| 974 | S | 24.8 | Very low | 29.1 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | | 76 | 106 | 82.8 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 975 | R | 29.2 | Very low | 29.2 | Very low | 214 Ų | 214 | 123.2 Ų | 123.2 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | trans | -173.7 | 90.2 | 144.6 | -110 | 165.4 | 165.6 | 176.5 | -6.5 | 112 | Y977 | R975-Y977 PolarHBondContact O-N 2.9Š|
| 976 | S | 33.5 | Very low | 29 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | trans | -72 | 99 | 139.5 | 50.3 | 0 | 0 | 0 | 0 | 106.4 | | |
| 977 | Y | 33.3 | Very low | 29.4 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | | | trans | -69.2 | 137.2 | -176.1 | -169.6 | -91.6 | 0 | 0 | 0 | 110.7 | R975 | R975-Y977 PolarHBondContact O-N 2.9Š|
| 978 | C | 28.4 | Very low | 29.7 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 56% | 0.561 | 74% | 0.739 | S | S | * | * | | | trans | -81.8 | 140.5 | -173.2 | -49.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 979 | H | 28.3 | Very low | 29.9 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | | | trans | 63.5 | 177 | 166.2 | -47.1 | -59.1 | 0 | 0 | 0 | 112.9 | | |
| 980 | I | 29 | Very low | 30.2 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 59% | 0.585 | 74% | 0.737 | S | S | * | * | | | cis | -155.3 | 144.8 | 34.9 | -71.7 | 176.9 | 0 | 0 | 0 | 109.5 | | |
| 981 | R | 27.8 | Very low | 30.7 | Very low | 230 Ų | 230 | 131.1 Ų | 131.1 | 87% | 0.868 | 74% | 0.737 | S | S | * | * | | | trans | 65.1 | 158.2 | 166.2 | -72.2 | 159.6 | -162.8 | 162.6 | 2.3 | 117.2 | | |
| 982 | S | 31.5 | Very low | 30.9 | Very low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | cis | -169.9 | 164.3 | -29.3 | -98.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 983 | S | 32.7 | Very low | 30.9 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | | | trans | 69.6 | 142 | 166.9 | -50.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 984 | S | 31.2 | Very low | 31.1 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | | | cis | -147.3 | 118.2 | -7.6 | 45.5 | 0 | 0 | 0 | 0 | 106.9 | | |
| 985 | S | 29.3 | Very low | 31.3 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | | | | 42.2 | 126 | 96.8 | 69.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 986 | N | 29 | Very low | 31.6 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | | | cis | 145.7 | 170.7 | 26.5 | -93.5 | -11.3 | 0 | 0 | 0 | 103.2 | | |
| 987 | P | 37.4 | Very low | 31.4 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 75% | 0.752 | S | S | * | * | | | cis | -119.1 | 172.8 | -49.1 | 38.9 | -25.8 | 0 | 0 | 0 | 111.1 | | |
| 988 | P | 33.7 | Very low | 31.5 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | -92.9 | 134.1 | 170.1 | 34.2 | -29.9 | 0 | 0 | 0 | 112.2 | | |
| 989 | E | 32.6 | Very low | 31.4 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -137.2 | 128.6 | 172.1 | -85.3 | -147.6 | 172.3 | 0 | 0 | 115 | | |
| 990 | N | 30.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | | | trans | 69.4 | 155 | 138.1 | -65.6 | -40.3 | 0 | 0 | 0 | 122.3 | | |
| 991 | N | 37.4 | Very low | 31.4 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | 67.6 | 103.9 | 173 | -50.1 | -36.7 | 0 | 0 | 0 | 115 | | |
| 992 | K | 27.9 | Very low | 31.6 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | | | cis | 63 | 93.1 | 25.7 | -167.3 | -170.4 | -178.5 | -176.8 | 0 | 114.2 | | |
| 993 | I | 33.2 | Very low | 31.6 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -166.5 | 146.4 | 157.4 | -106.9 | 153.8 | 0 | 0 | 0 | 110.2 | | |
| 994 | Q | 32.9 | Very low | 31.4 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | 33.7 | 125.7 | 162.5 | -65.2 | 156.3 | 9.6 | 0 | 0 | 119.5 | | |
| 995 | A | 28 | Very low | 31.4 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | cis | 70.3 | 92.2 | 28.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 996 | I | 36.6 | Very low | 31.3 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 92% | 0.918 | 79% | 0.793 | S | S | * | * | | | trans | -150.4 | 144 | 144.2 | 28.1 | 170.9 | 0 | 0 | 0 | 109.8 | | |
| 997 | S | 27.8 | Very low | 31.3 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -86.5 | 147.6 | -177.8 | -54 | 0 | 0 | 0 | 0 | 112.4 | | |
| 998 | S | 35.8 | Very low | 31.1 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | -158.7 | 112.7 | 159.2 | -84.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 999 | G | 27.2 | Very low | 30.8 | Very low | 76 Ų | 76 | 136.7 Ų | 136.7 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | | 65.1 | 82 | 127.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 1000 | S | 26.3 | Very low | 30.8 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | | 60.1 | 149.9 | 124.1 | -160.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1001 | S | 30.4 | Very low | 31.1 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | | | trans | 66.6 | 111.4 | 163.9 | -129.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1002 | R | 32.3 | Very low | 30.8 | Very low | 218 Ų | 218 | 138 Ų | 138 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | | | cis | -158.6 | 148.9 | 45.1 | -77.9 | -172.7 | 175.8 | -176.4 | -2.3 | 114.1 | | |
| 1003 | H | 30.3 | Very low | 30.9 | Very low | 149 Ų | 149 | 133 Ų | 133 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | | | trans | -17.7 | 133.3 | 169.4 | -19.3 | -74 | 0 | 0 | 0 | 119.7 | | |
| 1004 | S | 29.9 | Very low | 30.9 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | 54.6 | 93.4 | 137.4 | -52.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1005 | S | 30.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | -112.5 | 106.5 | 153.1 | -63.8 | 0 | 0 | 0 | 0 | 109.6 | S1007 | S1005-S1007 PolarHBondContact O-N 3.22Š|
| 1006 | T | 28 | Very low | 30.9 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | | | trans | -70.3 | 125.4 | 166.6 | -54.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1007 | S | 28.9 | Very low | 30.8 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | trans | -157.7 | 126.8 | -179.9 | -78.4 | 0 | 0 | 0 | 0 | 111.5 | S1005 | S1005-S1007 PolarHBondContact O-N 3.22Š|
| 1008 | Q | 32.9 | Very low | 31 | Very low | 188 Ų | 188 | 133 Ų | 133 | 88% | 0.879 | 74% | 0.736 | S | S | * | * | | | trans | 65 | 157.3 | 167 | -63.3 | -170 | -6.4 | 0 | 0 | 115.7 | | |
| 1009 | S | 28.4 | Very low | 31 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | | | cis | -167.5 | -174.8 | -23.2 | -97.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1010 | Q | 31.8 | Very low | 31.3 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | trans | 77.2 | 150.8 | 177 | -48.4 | -177.3 | 29.9 | 0 | 0 | 112.3 | | |
| 1011 | D | 36.2 | Very low | 31.7 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 53% | 0.529 | 72% | 0.723 | S | S | . | * | | | cis | -130.1 | 150.3 | 4.9 | -129.8 | 1.1 | 0 | 0 | 0 | 110 | | |
| 1012 | R | 31.6 | Very low | 31.8 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | | | | 46.8 | 151 | 101.7 | -74.2 | -175.4 | -165.8 | 125.8 | -8.5 | 117.1 | | |
| 1013 | V | 30.5 | Very low | 32.1 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 57% | 0.57 | 74% | 0.735 | S | S | * | * | | | cis | -177.5 | 159.6 | -21.3 | 70.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1014 | R | 32.4 | Very low | 32.3 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | 65.8 | 165.4 | 165.1 | -65 | 171.2 | -151.9 | 148.8 | 5 | 113.9 | | |
| 1015 | H | 32 | Very low | 32.7 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | cis | -153.7 | 167 | -21.5 | -111.8 | -33 | 0 | 0 | 0 | 108.1 | | |
| 1016 | T | 29.3 | Very low | 33 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | | | trans | 26.8 | 134.1 | 145.6 | 69.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1017 | Q | 34.9 | Very low | 33.4 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | | | | -151.9 | 148.9 | 56.4 | -82.6 | -169.3 | 41.9 | 0 | 0 | 111.5 | | |
| 1018 | S | 32.4 | Very low | 33.8 | Very low | 91 Ų | 91 | 149.5 Ų | 149.5 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | | 39.2 | 125.3 | 95.4 | -42.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1019 | K | 35.5 | Very low | 33.9 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | | | cis | -138.1 | 152.6 | 18 | -89.6 | 108.4 | 178.9 | -178.2 | 0 | 110 | | |
| 1020 | S | 32.9 | Very low | 34.1 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | | 46.6 | 132 | 97.4 | 129.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1021 | R | 35.3 | Very low | 34.3 | Very low | 205 Ų | 205 | 151.7 Ų | 151.7 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | | | cis | -153.6 | 140 | 43.6 | -156.1 | 170.1 | 171 | 169.9 | -3.9 | 113.6 | Q1023 | R1021-Q1023 PolarHBondContact O-N 3.06Š|
| 1022 | R | 30.9 | Very low | 34.2 | Very low | 244 Ų | 244 | 153.6 Ų | 153.6 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | | | trans | -60.2 | 115.3 | 153.7 | -84.2 | 177.6 | 161.5 | -165.4 | -2.6 | 109 | | |
| 1023 | Q | 38.7 | Very low | 34.2 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | trans | -140.3 | 141.7 | 133 | -66.8 | -157 | 89.5 | 0 | 0 | 107.3 | R1021 | R1021-Q1023 PolarHBondContact O-N 3.06Š|
| 1024 | G | 35.2 | Very low | 34.4 | Very low | 67 Ų | 67 | 153 Ų | 153 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | cis | 151.2 | 93.7 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | K1026 | G1024-K1026 PolarHBondContact O-N 2.96Š|
| 1025 | I | 38.3 | Very low | 34.4 | Very low | 169 Ų | 169 | 149 Ų | 149 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | | | trans | -61.3 | 102 | -170 | -55 | 165.2 | 0 | 0 | 0 | 111.2 | | |
| 1026 | K | 36.4 | Very low | 34.5 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | | | trans | -152.7 | 95.9 | 159.6 | -74.9 | -163.4 | -178.9 | 170.4 | 0 | 112.8 | G1024 K1028 | G1024-K1026 PolarHBondContact O-N 2.96Å; K1026-K1028 PolarHBondContact O-N 3.42Å |
| 1027 | P | 37.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | trans | -69.7 | 101.8 | 144 | 29.8 | -30.3 | 0 | 0 | 0 | 108.6 | | |
| 1028 | K | 36.4 | Very low | 34.9 | Very low | 174 Ų | 174 | 151 Ų | 151 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -143.6 | 91.8 | 160 | -79.6 | -148.8 | 172.8 | -163.2 | 0 | 108.7 | K1026 | K1026-K1028 PolarHBondContact O-N 3.42Š|
| 1029 | S | 34.6 | Very low | 34.9 | Very low | 97 Ų | 97 | 153.7 Ų | 153.7 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | | 82.8 | 106.9 | 74 | 71.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1030 | K | 34.3 | Very low | 34.8 | Very low | 205 Ų | 205 | 153.8 Ų | 153.8 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | trans | 62.5 | 117.9 | 166 | -55.9 | -172.9 | 176 | -166.1 | 0 | 117.4 | | |
| 1031 | K | 34.7 | Very low | 34.8 | Very low | 193 Ų | 193 | 157 Ų | 157 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | | 179.4 | 161.7 | 116.3 | -100.9 | -174.8 | 172.4 | -157.9 | 0 | 110.6 | | |
| 1032 | L | 35.3 | Very low | 34.7 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | | | trans | 70.2 | 129.8 | 173.9 | -50.5 | -174.7 | 0 | 0 | 0 | 113.7 | | |
| 1033 | N | 31.4 | Very low | 35 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | cis | -113.2 | 164.1 | -7.5 | -61.3 | -42.6 | 0 | 0 | 0 | 109.5 | | |
| 1034 | D | 34.9 | Very low | 34.8 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | cis | 76.8 | 56.6 | 20.7 | -59.2 | -15.5 | 0 | 0 | 0 | 115.9 | | |
| 1035 | S | 32.5 | Very low | 34.7 | Very low | 115 Ų | 115 | 155.7 Ų | 155.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -156 | 111.5 | 152.3 | -65.6 | 0 | 0 | 0 | 0 | 104.3 | | |
| 1036 | D | 34.3 | Very low | 34.7 | Very low | 155 Ų | 155 | 157.4 Ų | 157.4 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | | | cis | 62.6 | 143.3 | 39 | -83.3 | -33.3 | 0 | 0 | 0 | 114.7 | | |
| 1037 | D | 33.1 | Very low | 34.5 | Very low | 137 Ų | 137 | 155.1 Ų | 155.1 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | 66.1 | 127 | -171.7 | -77.4 | -44.9 | 0 | 0 | 0 | 117.5 | | |
| 1038 | H | 39.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 159.5 Ų | 159.5 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | | | cis | -134.3 | 146.2 | -2.6 | -59.2 | -64.8 | 0 | 0 | 0 | 112 | | |
| 1039 | N | 32.6 | Very low | 34.6 | Very low | 149 Ų | 149 | 158.3 Ų | 158.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | | 169.1 | 100.8 | 117.6 | -173.2 | -15.7 | 0 | 0 | 0 | 110.9 | | |
| 1040 | Q | 31.9 | Very low | 35.1 | Very low | 177 Ų | 177 | 163.6 Ų | 163.6 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | -93.1 | 117 | 162.9 | -71 | -167.7 | 65 | 0 | 0 | 110.5 | | |
| 1041 | Q | 34.3 | Very low | 35 | Very low | 169 Ų | 169 | 161.6 Ų | 161.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -177.2 | 90.7 | 140.4 | -103 | 165.5 | 57.3 | 0 | 0 | 110.9 | | |
| 1042 | T | 32.5 | Very low | 34.9 | Very low | 122 Ų | 122 | 157.4 Ų | 157.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | | 51.9 | 79.2 | 86.2 | 71.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1043 | R | 36.3 | Very low | 34.5 | Very low | 237 Ų | 237 | 157.2 Ų | 157.2 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | | | trans | -138.8 | 98.2 | 155.2 | -74.1 | -167.3 | 179.6 | -171.6 | 1 | 112.2 | | |
| 1044 | S | 35.3 | Very low | 34.7 | Very low | 125 Ų | 125 | 156 Ų | 156 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | 156.8 | 103.8 | 140.5 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1045 | L | 33 | Very low | 34.4 | Very low | 171 Ų | 171 | 156.8 Ų | 156.8 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -73.7 | 134.2 | 157.9 | -74.1 | 150.9 | 0 | 0 | 0 | 109.1 | | |
| 1046 | K | 38 | Very low | 34.6 | Very low | 206 Ų | 206 | 157.6 Ų | 157.6 | 90% | 0.896 | 81% | 0.808 | S | S | * | * | | | | -167.6 | 131.8 | 111.5 | -129.8 | 156.8 | -177 | 164.7 | 0 | 113.2 | | |
| 1047 | E | 32.9 | Very low | 34.5 | Very low | 129 Ų | 129 | 158.2 Ų | 158.2 | 60% | 0.603 | 81% | 0.805 | S | S | * | * | | | trans | -72.5 | 153.4 | 171.7 | -57.9 | 178.4 | 93 | 0 | 0 | 112.3 | K1049 | E1047-K1049 WeakPolarHBondContact OE1-CE 3.21Å; E1047-K1049 IonicContact OE1-NZ 2.7Å; E1047-K1049 PolarHBondContact OE1-NZ 3.05Å; E1047-K1049 IonicContact OE2-NZ 3.89Å |
| 1048 | K | 42.7 | Very low | 34.4 | Very low | 214 Ų | 214 | 163.6 Ų | 163.6 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | | | trans | -135.2 | 84.3 | 144.5 | -78.9 | -163.2 | 174.1 | -179.9 | 0 | 110.9 | | |
| 1049 | K | 33.3 | Very low | 34 | Very low | 149 Ų | 149 | 160.2 Ų | 160.2 | 65% | 0.648 | 81% | 0.81 | S | S | * | * | | | trans | -64.5 | 128.3 | 161.4 | -72.1 | 173.3 | 174.3 | 122.5 | 0 | 109.7 | E1047 | E1047-K1049 WeakPolarHBondContact OE1-CE 3.21Å; E1047-K1049 IonicContact OE1-NZ 2.7Å; E1047-K1049 PolarHBondContact OE1-NZ 3.05Å; E1047-K1049 IonicContact OE2-NZ 3.89Å |
| 1050 | K | 44.3 | Very low | 34.2 | Very low | 209 Ų | 209 | 158.5 Ų | 158.5 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -143.7 | 148.9 | 142.9 | -75.5 | -155.5 | 174.2 | -169.8 | 0 | 108.5 | | |
| 1051 | M | 31.8 | Very low | 34.1 | Very low | 162 Ų | 162 | 156.7 Ų | 156.7 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | trans | -134.1 | -176.8 | -173.9 | -64.8 | -178.4 | 173.1 | 0 | 0 | 109.6 | | |
| 1052 | S | 32.7 | Very low | 34 | Very low | 105 Ų | 105 | 153.2 Ų | 153.2 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | 74.4 | 102.7 | 168.2 | -50.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1053 | T | 27.4 | Very low | 34 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | | | | 76.7 | 114.1 | 70.4 | 62 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1054 | S | 35.4 | Very low | 33.8 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -157.9 | 149.6 | 146.9 | 45.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1055 | L | 29.3 | Very low | 34.1 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -99.5 | 142.9 | 172.4 | -91.6 | 59.6 | 0 | 0 | 0 | 108.9 | | |
| 1056 | C | 37.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 147 Ų | 147 | 89% | 0.892 | 77% | 0.773 | S | S | * | * | | | trans | -130.9 | 119.2 | 159.9 | -76.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1057 | H | 30.8 | Very low | 34.1 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | | | trans | -81.9 | 146.6 | 163.2 | -76.8 | -104 | 0 | 0 | 0 | 109.6 | | |
| 1058 | R | 32.2 | Very low | 34.1 | Very low | 250 Ų | 250 | 144.5 Ų | 144.5 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | | | trans | -155 | 116.8 | 143.1 | -119.3 | 171.9 | -174.8 | 160.1 | 3 | 109.7 | | |
| 1059 | S | 29.4 | Very low | 33.6 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | -83.4 | 153.9 | 164.2 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1060 | S | 36.5 | Very low | 33.7 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | -139.1 | 122.3 | 141.6 | -48.8 | 0 | 0 | 0 | 0 | 103.1 | | |
| 1061 | D | 31.6 | Very low | 33 | Very low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | | 56.6 | 126.1 | 50.2 | -55.7 | -37.3 | 0 | 0 | 0 | 110.7 | | |
| 1062 | S | 32 | Very low | 33.2 | Very low | 96 Ų | 96 | 142.9 Ų | 142.9 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | | | cis | -168.7 | -179 | -0.9 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1063 | V | 31.3 | Very low | 33.4 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | | | trans | 69 | 102.9 | 155.7 | 170.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1064 | D | 32.2 | Very low | 34.1 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | | 60.1 | 120.2 | 65.1 | -57.3 | -61.9 | 0 | 0 | 0 | 112.7 | | |
| 1065 | D | 41.3 | Very low | 34 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | | | | 175.3 | 130.3 | 118 | -96.1 | -25.5 | 0 | 0 | 0 | 112.9 | | |
| 1066 | I | 32.9 | Very low | 33.8 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | 34.4 | 106.8 | 130.7 | -50.3 | 166.2 | 0 | 0 | 0 | 116.8 | | |
| 1067 | N | 39.1 | Very low | 33.7 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | | | | -157.9 | 112.2 | 107.1 | -142.3 | 7.2 | 0 | 0 | 0 | 113.1 | | |
| 1068 | D | 33.3 | Very low | 33.8 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | trans | -79.5 | 173 | 157.5 | -93.5 | -52.8 | 0 | 0 | 0 | 110.2 | | |
| 1069 | N | 30.9 | Very low | 33.9 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | trans | 64 | 85 | 162.8 | -60.2 | -52.2 | 0 | 0 | 0 | 118.4 | | |
| 1070 | N | 35.1 | Very low | 34 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | | | | -148.5 | 90.2 | 124.1 | -102 | -58.1 | 0 | 0 | 0 | 107.6 | | |
| 1071 | R | 31.5 | Very low | 33.8 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | | | | 45.2 | 75.4 | 71.5 | -158 | 179.2 | -166.6 | -140.6 | -10.1 | 112.6 | E1073 | R1071-E1073 IonicContact CZ-OE1 3.73Å; R1071-E1073 VanDerWaalsContact CZ-OE1 3.28Å; R1071-E1073 IonicContact CZ-OE2 2.8Å; R1071-E1073 IonicContact NE-OE1 3.77Å; R1071-E1073 PolarHBondContact NE-OE1 3.11Å; R1071-E1073 IonicContact NE-OE2 3.78Å; R1071-E1073 VanDerWaalsContact NH2-CD 3.29Å; R1071-E1073 IonicContact NH2-OE1 3.3Å; R1071-E1073 PolarHBondContact NH2-OE1 2.66Å; R1071-E1073 IonicContact NH2-OE2 3.86Å; R1071-E1073 PolarHBondContact NH2-OE2 3.3Å |
| 1072 | R | 36 | Very low | 33.9 | Very low | 226 Ų | 226 | 147.9 Ų | 147.9 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | | | trans | -129.3 | 79.9 | 150.9 | -151.1 | 175.5 | -65.2 | -152.6 | 2.6 | 109.6 | I1074 | R1072-I1074 HydrophobicContact CG-CG1 4.47Å; R1072-I1074 PolarHBondContact O-N 3.41Å |
| 1073 | E | 36 | Very low | 33.9 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 65% | 0.654 | 75% | 0.746 | S | S | * | * | | | trans | -59.3 | 116.8 | 164.8 | -73.5 | 149.4 | -134.8 | 0 | 0 | 108.8 | R1071 | R1071-E1073 IonicContact CZ-OE1 3.73Å; R1071-E1073 VanDerWaalsContact CZ-OE1 3.28Å; R1071-E1073 IonicContact CZ-OE2 2.8Å; R1071-E1073 IonicContact NE-OE1 3.77Å; R1071-E1073 PolarHBondContact NE-OE1 3.11Å; R1071-E1073 IonicContact NE-OE2 3.78Å; R1071-E1073 VanDerWaalsContact NH2-CD 3.29Å; R1071-E1073 IonicContact NH2-OE1 3.3Å; R1071-E1073 PolarHBondContact NH2-OE1 2.66Å; R1071-E1073 IonicContact NH2-OE2 3.86Å; R1071-E1073 PolarHBondContact NH2-OE2 3.3Å |
| 1074 | I | 42 | Very low | 34.1 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 71% | 0.708 | 74% | 0.741 | S | S | * | * | | | trans | -129.7 | 96.3 | 160.1 | -60.6 | -177 | 0 | 0 | 0 | 106.7 | R1072 | R1072-I1074 HydrophobicContact CG-CG1 4.47Å; R1072-I1074 PolarHBondContact O-N 3.41Å |
| 1075 | S | 32.9 | Very low | 34.3 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | | | trans | 20.2 | 114 | 159.7 | 57.7 | 0 | 0 | 0 | 0 | 118.6 | P1077 | S1075-P1077 VanDerWaalsContact O-CD 3.24Å; S1075-P1077 WeakPolarHBondContact O-CD 3.5Å |
| 1076 | N | 25.9 | Very low | 34.1 | Very low | 153 Ų | 153 | 146 Ų | 146 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -61.9 | 136 | 143.3 | -92.4 | -21.2 | 0 | 0 | 0 | 109.3 | | |
| 1077 | P | 35.6 | Very low | 34.3 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | trans | -114.5 | 108.2 | 137.7 | 32.8 | -28 | 0 | 0 | 0 | 109.4 | S1075 Y1079 | S1075-P1077 VanDerWaalsContact O-CD 3.24Å; S1075-P1077 WeakPolarHBondContact O-CD 3.5Å; P1077-Y1079 PolarHBondContact O-N 3.15Å |
| 1078 | V | 31.4 | Very low | 34 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -75.2 | 116 | 167.1 | 175.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1079 | Y | 35.2 | Very low | 34.3 | Very low | 223 Ų | 223 | 148.4 Ų | 148.4 | 88% | 0.875 | 75% | 0.749 | S | S | * | * | | | trans | -108.8 | 103.9 | 162.3 | -105.6 | -83.3 | 0 | 0 | 0 | 109.2 | P1077 | P1077-Y1079 PolarHBondContact O-N 3.15Š|
| 1080 | S | 32.1 | Very low | 34.7 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | trans | -75.4 | 157.8 | 173.9 | 52 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1081 | Y | 31.2 | Very low | 34.8 | Very low | 217 Ų | 217 | 148.9 Ų | 148.9 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | trans | -32.7 | 132.3 | 171.3 | -73.5 | -101.5 | 0 | 0 | 0 | 114.3 | | |
| 1082 | R | 33.9 | Very low | 34.8 | Very low | 216 Ų | 216 | 145 Ų | 145 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | | | trans | -118.1 | 77.7 | 166 | -166.1 | -168.8 | -172.5 | -156.1 | 0.5 | 109.6 | S1084 | R1082-S1084 PolarHBondContact O-N 2.96Å; R1082-S1084 PolarHBondContact O-OG 2.79Å |
| 1083 | D | 31.8 | Very low | 34.6 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | trans | -57.2 | 107.8 | 168.5 | -69.7 | -42.5 | 0 | 0 | 0 | 108.7 | S1085 | D1083-S1085 PolarHBondContact O-N 3.31Š|
| 1084 | S | 36.7 | Very low | 34.5 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 55% | 0.552 | 75% | 0.753 | S | S | * | * | | | trans | -103.2 | 53.8 | -168.4 | -61.5 | 0 | 0 | 0 | 0 | 110.7 | R1082 S1086 | R1082-S1084 PolarHBondContact O-N 2.96Å; R1082-S1084 PolarHBondContact O-OG 2.79Å; S1084-S1086 PolarHBondContact O-N 3.22Å; S1084-S1086 VanDerWaalsContact O-N 3.14Å |
| 1085 | S | 35.8 | Very low | 34 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -74.6 | 90.4 | 162 | 55 | 0 | 0 | 0 | 0 | 108.7 | D1083 | D1083-S1085 PolarHBondContact O-N 3.31Š|
| 1086 | S | 37.2 | Very low | 34 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -123.7 | 122.7 | 172 | 61.3 | 0 | 0 | 0 | 0 | 109.6 | S1084 | S1084-S1086 PolarHBondContact O-N 3.22Å; S1084-S1086 VanDerWaalsContact O-N 3.14Å |
| 1087 | D | 36.5 | Very low | 34.2 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | -69.7 | 166.5 | -166.1 | -60.5 | -80.7 | 0 | 0 | 0 | 116.3 | | |
| 1088 | L | 32.2 | Very low | 34.2 | Very low | 135 Ų | 135 | 144.6 Ų | 144.6 | 71% | 0.707 | 77% | 0.766 | S | S | * | * | | | trans | 18.7 | 119.1 | 160.5 | -82 | 70.9 | 0 | 0 | 0 | 118.4 | D1090 | L1088-D1090 WeakPolarHBondContact CD2-OD2 3.35Š|
| 1089 | K | 40.8 | Very low | 34.3 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | trans | -130.4 | 75.8 | 145.9 | -78.2 | -166 | 174.4 | -178.4 | 0 | 111.1 | I1091 | K1089-I1091 PolarHBondContact O-N 3.36Š|
| 1090 | D | 38.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | trans | -68 | 96.6 | 166.8 | -66.8 | -51.2 | 0 | 0 | 0 | 109.9 | L1088 S1092 | L1088-D1090 WeakPolarHBondContact CD2-OD2 3.35Å; D1090-S1092 PolarHBondContact O-N 2.94Å |
| 1091 | I | 37.3 | Very low | 34.4 | Very low | 167 Ų | 167 | 153.5 Ų | 153.5 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -76.2 | 71.1 | 173 | 47.5 | 166.7 | 0 | 0 | 0 | 110.9 | K1089 | K1089-I1091 PolarHBondContact O-N 3.36Š|
| 1092 | S | 30.9 | Very low | 34.5 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -73.1 | 163.6 | 171.5 | -167 | 0 | 0 | 0 | 0 | 112.5 | D1090 | D1090-S1092 PolarHBondContact O-N 2.94Š|
| 1093 | S | 32.3 | Very low | 34.5 | Very low | 98 Ų | 98 | 144.7 Ų | 144.7 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | 65 | 94.3 | 166.1 | -56.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1094 | K | 33.6 | Very low | 34.8 | Very low | 199 Ų | 199 | 145.9 Ų | 145.9 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | | -161.3 | 96.7 | 120.6 | -111 | 165.3 | -173.9 | 175.8 | 0 | 113.6 | | |
| 1095 | E | 30.8 | Very low | 34.5 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -67.5 | 151.8 | 148.5 | 65.3 | -148.7 | 105.5 | 0 | 0 | 110.1 | | |
| 1096 | S | 34.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 155 Ų | 155 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -158.2 | 103.7 | 171.1 | -74.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1097 | S | 29.3 | Very low | 34.1 | Very low | 107 Ų | 107 | 154.3 Ų | 154.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -89.3 | 131.5 | -179.2 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1098 | I | 35.4 | Very low | 33.8 | Very low | 158 Ų | 158 | 154.2 Ų | 154.2 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -139.7 | 91.2 | 167.9 | -54 | 179.5 | 0 | 0 | 0 | 106.1 | | |
| 1099 | L | 33.2 | Very low | 34.1 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | | 64.9 | 96.2 | 77.2 | -67.8 | 177.4 | 0 | 0 | 0 | 115 | | |
| 1100 | R | 38.6 | Very low | 33.7 | Very low | 240 Ų | 240 | 148.6 Ų | 148.6 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | 177.9 | 108.2 | 139.1 | -89.8 | 143.3 | -165.1 | -164.9 | 3.7 | 105.5 | | |
| 1101 | R | 31.3 | Very low | 33.7 | Very low | 239 Ų | 239 | 150.4 Ų | 150.4 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | | | | 59.8 | 117.4 | 63.1 | -170.9 | -179.2 | -76.6 | -164.8 | -3.2 | 111.6 | | |
| 1102 | G | 34.6 | Very low | 33.5 | Very low | 77 Ų | 77 | 147.2 Ų | 147.2 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | 173.4 | 53.2 | -176 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1103 | E | 32.9 | Very low | 33.4 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -79.4 | 133.2 | 163.8 | -65.8 | 154.1 | 106.5 | 0 | 0 | 107.9 | | |
| 1104 | D | 37.9 | Very low | 33.6 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -157.4 | 105.4 | 160.1 | -106 | -40.8 | 0 | 0 | 0 | 109 | | |
| 1105 | T | 30.3 | Very low | 33.5 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -87.4 | 134.4 | 177 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1106 | R | 36.5 | Very low | 33.7 | Very low | 246 Ų | 246 | 145.5 Ų | 145.5 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | | | trans | -135.8 | 137.7 | 161.4 | -69.1 | -167.3 | 176.2 | -156.3 | -3.2 | 110.8 | | |
| 1107 | S | 28.7 | Very low | 33.5 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | -102.5 | 171.6 | 178.5 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1108 | D | 29.6 | Very low | 33.7 | Very low | 143 Ų | 143 | 145 Ų | 145 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | | | trans | 67.8 | 146.8 | 164.5 | -42.7 | -52 | 0 | 0 | 0 | 114.5 | | |
| 1109 | V | 39.7 | Very low | 33.4 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | cis | -134 | 146 | 29.9 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | E1111 | V1109-E1111 HydrophobicContact CG1-CG 4.3Š|
| 1110 | S | 30.7 | Very low | 33.4 | Very low | 85 Ų | 85 | 145.5 Ų | 145.5 | 59% | 0.594 | 80% | 0.8 | S | S | * | * | | | trans | -98.8 | 128.7 | 163.5 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1111 | E | 39.2 | Very low | 32.9 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -139.8 | 161.6 | 160.4 | -80 | -162.9 | 164.1 | 0 | 0 | 109.5 | V1109 | V1109-E1111 HydrophobicContact CG1-CG 4.3Š|
| 1112 | D | 32.5 | Very low | 33.2 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 54% | 0.535 | 79% | 0.791 | S | S | . | * | | | trans | -117.9 | 174.8 | -131.2 | -158.8 | 4.1 | 0 | 0 | 0 | 115.6 | S654 | S654-D1112 WeakPolarHBondContact CB-OD1 3.37Å; S654-D1112 VanDerWaalsContact CB-OD2 3.28Å; S654-D1112 WeakPolarHBondContact CB-OD2 3.04Å; S654-D1112 PolarHBondContact OG-OD1 2.97Å; S654-D1112 PolarHBondContact OG-OD2 2.79Å |
| 1113 | E | 30.5 | Very low | 32.8 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -55 | 152.9 | -178.2 | -64.5 | -159.7 | 112.6 | 0 | 0 | 114.7 | | |
| 1114 | S | 36.7 | Very low | 33 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | | | trans | -143.2 | 93.7 | 158.7 | -80.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1115 | S | 30.3 | Very low | 32.8 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -68 | 141.2 | -173.8 | 64.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1116 | T | 36.1 | Very low | 32.8 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | | | trans | -153.3 | 116 | 156.3 | -73.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1117 | S | 29.7 | Very low | 33 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -90.4 | 110.9 | 174.4 | 62.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1118 | G | 33.2 | Very low | 33 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -115.3 | 114.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1119 | G | 28.4 | Very low | 33.2 | Very low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | trans | -104.1 | -163.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1120 | R | 33.8 | Very low | 32.7 | Very low | 241 Ų | 241 | 147.5 Ų | 147.5 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | trans | 89.4 | 94.9 | 176.6 | -51.8 | 178.3 | -165.8 | 164.3 | 6.5 | 116.9 | | |
| 1121 | N | 28.7 | Very low | 32.7 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | | | | 9.8 | 123.8 | 127 | -50.6 | -13 | 0 | 0 | 0 | 117.3 | | |
| 1122 | M | 37.6 | Very low | 32.2 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | | | trans | -150.1 | 123.4 | 138.3 | -97.9 | -54.5 | 105.5 | 0 | 0 | 111.2 | | |
| 1123 | C | 26.8 | Very low | 32 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | | | trans | -89.8 | 125.3 | 171.6 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1124 | R | 35.6 | Very low | 32.1 | Very low | 226 Ų | 226 | 147.1 Ų | 147.1 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | trans | -125.3 | 88.8 | 174.7 | -83.1 | -171 | 170.1 | 178.1 | -2.2 | 112.6 | | |
| 1125 | Q | 34.2 | Very low | 31.7 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | 38.1 | 121.8 | 137.3 | -64.2 | -178.3 | -52.8 | 0 | 0 | 119.4 | S1127 | Q1125-S1127 PolarHBondContact O-N 3.48Š|
| 1126 | S | 30 | Very low | 31.9 | Very low | 109 Ų | 109 | 148 Ų | 148 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | | | trans | -60.4 | 126.3 | 167.4 | 89.9 | 0 | 0 | 0 | 0 | 112 | | |
| 1127 | S | 40.2 | Very low | 31.5 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | | | trans | -91.2 | 106.4 | 163.9 | 39.1 | 0 | 0 | 0 | 0 | 110.1 | Q1125 | Q1125-S1127 PolarHBondContact O-N 3.48Š|
| 1128 | R | 28.8 | Very low | 31.6 | Very low | 233 Ų | 233 | 152.4 Ų | 152.4 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | -72.2 | 131.7 | 169.4 | -74.6 | 173.8 | 168 | 155.4 | -6 | 109.6 | | |
| 1129 | S | 33.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | trans | -150.7 | 117.7 | 157.9 | -92 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1130 | R | 30.8 | Very low | 31.6 | Very low | 247 Ų | 247 | 154.6 Ų | 154.6 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | | | trans | -134.7 | 93.9 | 168.7 | 178.8 | -178.1 | 170.1 | -176.7 | -5.5 | 108.1 | | |
| 1131 | S | 30 | Very low | 31.4 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -144 | 154.2 | 168.4 | -115 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1132 | S | 28.2 | Very low | 31.8 | Very low | 91 Ų | 91 | 153.4 Ų | 153.4 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | | | cis | 150.1 | 134.1 | -10.5 | 177.9 | 0 | 0 | 0 | 0 | 103 | | |
| 1133 | S | 29.2 | Very low | 31.6 | Very low | 106 Ų | 106 | 153 Ų | 153 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | trans | 55.4 | 169 | 178 | 75.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1134 | Y | 31.2 | Very low | 31.9 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | cis | -140.8 | 165 | 2.1 | 36.3 | -90.9 | 0 | 0 | 0 | 110 | | |
| 1135 | T | 29.6 | Very low | 32.1 | Very low | 131 Ų | 131 | 147.8 Ų | 147.8 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -66.8 | 143.9 | 171.1 | 43 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1136 | S | 33.7 | Very low | 31.9 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -119.4 | 124.1 | 166.1 | -169.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1137 | S | 27.8 | Very low | 32.3 | Very low | 112 Ų | 112 | 152.3 Ų | 152.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -90.1 | 127.9 | -168.6 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1138 | R | 32.8 | Very low | 32 | Very low | 245 Ų | 245 | 157.5 Ų | 157.5 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | | | trans | -144.8 | 91.4 | 162.4 | -149.7 | 172.1 | -170.9 | 175.4 | 2.8 | 108.4 | | |
| 1139 | S | 28.5 | Very low | 32.2 | Very low | 89 Ų | 89 | 153.4 Ų | 153.4 | 62% | 0.622 | 80% | 0.8 | S | S | * | * | | | | 90.9 | 131.2 | 60 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1140 | T | 32.2 | Very low | 32.4 | Very low | 107 Ų | 107 | 156.1 Ų | 156.1 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | | | trans | 67.8 | 111.9 | 152 | 42.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1141 | D | 30.6 | Very low | 32.4 | Very low | 133 Ų | 133 | 152.4 Ų | 152.4 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | | 79.5 | 101 | 125.7 | -51.6 | -12.5 | 0 | 0 | 0 | 121.5 | | |
| 1142 | R | 35.5 | Very low | 32.9 | Very low | 232 Ų | 232 | 158.4 Ų | 158.4 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | | | | -171.7 | 156 | 89.6 | -95.8 | 159.7 | -168.1 | -168.4 | 1.5 | 113.9 | | |
| 1143 | N | 33.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 159.6 Ų | 159.6 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | 59.1 | 68.6 | 166.1 | -65.1 | -9.7 | 0 | 0 | 0 | 118 | | |
| 1144 | V | 33.5 | Very low | 33.5 | Very low | 118 Ų | 118 | 161.8 Ų | 161.8 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | | | trans | -82.6 | 123.1 | 151.6 | 168.8 | 0 | 0 | 0 | 0 | 109.5 | N1146 | V1144-N1146 HydrophobicContact CG1-CB 3.71Å; V1144-N1146 VanDerWaalsContact CG1-CG 3.42Å; V1144-N1146 WeakPolarHBondContact CG1-ND2 3.39Å |
| 1145 | S | 39.3 | Very low | 33.6 | Very low | 119 Ų | 119 | 158.8 Ų | 158.8 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -110.6 | 60.1 | 167.8 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | R1147 | S1145-R1147 PolarHBondContact O-N 3.41Š|
| 1146 | N | 31.1 | Very low | 34.1 | Very low | 146 Ų | 146 | 160.4 Ų | 160.4 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | trans | -72.9 | 104.2 | 178.5 | -87.5 | -11.1 | 0 | 0 | 0 | 112 | V1144 | V1144-N1146 HydrophobicContact CG1-CB 3.71Å; V1144-N1146 VanDerWaalsContact CG1-CG 3.42Å; V1144-N1146 WeakPolarHBondContact CG1-ND2 3.39Å |
| 1147 | R | 37.8 | Very low | 34.2 | Very low | 236 Ų | 236 | 162 Ų | 162 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | | | trans | -150.9 | 141.5 | 162.5 | -74.9 | -169.6 | -179 | -177.8 | 2 | 109.5 | S1145 | S1145-R1147 PolarHBondContact O-N 3.41Š|
| 1148 | R | 33.8 | Very low | 34.3 | Very low | 229 Ų | 229 | 165.7 Ų | 165.7 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | cis | -161.5 | 154.6 | -20.2 | -161.2 | 176.5 | -169.6 | 176.2 | 3.5 | 107.6 | | |
| 1149 | N | 32.6 | Very low | 34.3 | Very low | 147 Ų | 147 | 161.9 Ų | 161.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -54.7 | 170.3 | 178.1 | -46.1 | 9.2 | 0 | 0 | 0 | 114 | | |
| 1150 | K | 40 | Very low | 34.6 | Very low | 187 Ų | 187 | 166 Ų | 166 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | 98.4 | 82.3 | 163.4 | -56.4 | -166.6 | 176.1 | -164.6 | 0 | 116.8 | | |
| 1151 | E | 29.5 | Very low | 34.9 | Very low | 170 Ų | 170 | 166 Ų | 166 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | | 18.6 | 109.2 | 97.2 | -174.1 | -177.2 | -161.6 | 0 | 0 | 114.8 | V1153 | E1151-V1153 HydrophobicContact CG-CG2 4.38Š|
| 1152 | R | 40.1 | Very low | 35.3 | Very low | 243 Ų | 243 | 167.3 Ų | 167.3 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -130.8 | 111 | 150.3 | -69.3 | -165.8 | -169.8 | -153.2 | 5.6 | 107.9 | | |
| 1153 | V | 32.3 | Very low | 35.5 | Very low | 116 Ų | 116 | 167.2 Ų | 167.2 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | | | trans | -75.2 | 176.8 | 164.1 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | E1151 | E1151-V1153 HydrophobicContact CG-CG2 4.38Š|
| 1154 | I | 39.2 | Very low | 36.1 | Very low | 152 Ų | 152 | 169.3 Ų | 169.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | 94 | 115.8 | 168.3 | -53.4 | 172.9 | 0 | 0 | 0 | 114.4 | | |
| 1155 | E | 32.6 | Very low | 36.5 | Very low | 142 Ų | 142 | 169.5 Ų | 169.5 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | | | trans | -60.5 | 140.2 | 166.3 | -56.3 | 166.2 | 77.9 | 0 | 0 | 111 | K1157 | E1155-K1157 WeakPolarHBondContact OE1-CE 3.48Å; E1155-K1157 IonicContact OE1-NZ 2.81Å |
| 1156 | N | 40.4 | Very low | 36 | Very low | 164 Ų | 164 | 169 Ų | 169 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -121.3 | 121.3 | 151.1 | -106.3 | 20 | 0 | 0 | 0 | 108.5 | | |
| 1157 | K | 34.8 | Very low | 36.2 | Very low | 156 Ų | 156 | 168.3 Ų | 168.3 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | trans | -85.1 | 150.9 | -170.2 | -65.4 | -176.5 | 178.2 | 178.6 | 0 | 112.6 | E1155 | E1155-K1157 WeakPolarHBondContact OE1-CE 3.48Å; E1155-K1157 IonicContact OE1-NZ 2.81Å |
| 1158 | Y | 29.9 | Very low | 36.2 | Very low | 188 Ų | 188 | 161.8 Ų | 161.8 | 74% | 0.737 | 78% | 0.777 | S | S | * | * | | | trans | 66 | 110.4 | 142.6 | -93.7 | -136.6 | 0 | 0 | 0 | 120.2 | | |
| 1159 | K | 34.4 | Very low | 36.2 | Very low | 166 Ų | 166 | 157.3 Ų | 157.3 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 68.9 | 158.8 | 151.1 | -49.1 | 171 | 178.2 | 173.8 | 0 | 113.6 | | |
| 1160 | H | 33.6 | Very low | 36 | Very low | 174 Ų | 174 | 154.4 Ų | 154.4 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | cis | -143.6 | 140.5 | 5 | -19.7 | -118.2 | 0 | 0 | 0 | 109.2 | | |
| 1161 | S | 39.5 | Very low | 35.8 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | trans | -156 | 81.2 | 160.5 | -167.4 | 0 | 0 | 0 | 0 | 111.8 | R1163 | S1161-R1163 VanDerWaalsContact C-N 3.29Å; S1161-R1163 PolarHBondContact O-N 3.1Å |
| 1162 | K | 37.8 | Very low | 36.1 | Very low | 162 Ų | 162 | 147 Ų | 147 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | | | trans | -75.6 | 85.1 | 163.5 | -86.5 | -164.9 | 171.9 | -168.2 | 0 | 108.6 | S319 | S319-K1162 PolarHBondContact OG-NZ 2.8Š|
| 1163 | R | 41 | Very low | 35.9 | Very low | 229 Ų | 229 | 140.1 Ų | 140.1 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | | | trans | -133.9 | 88.7 | 166.7 | -83.7 | -173.1 | 157.5 | 161.5 | -4.5 | 110.4 | S1161 | S1161-R1163 VanDerWaalsContact C-N 3.29Å; S1161-R1163 PolarHBondContact O-N 3.1Å |
| 1164 | K | 45.9 | Very low | 36 | Very low | 204 Ų | 204 | 137 Ų | 137 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | | | trans | -92.5 | 148.3 | 154 | -87 | -161.7 | 172.8 | -172.9 | 0 | 109 | | |
| 1165 | P | 40.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 79% | 0.792 | 71% | 0.705 | S | S | * | * | | | trans | -75.8 | 160.1 | -174.2 | 31.7 | -36.6 | 0 | 0 | 0 | 113 | | |
| 1166 | C | 29.3 | Very low | 35.8 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | | | trans | -68.2 | -176.6 | 163 | -48.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1167 | T | 35.6 | Very low | 35.7 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 80% | 0.798 | 68% | 0.684 | S | S | * | * | | | cis | -158.4 | -178.7 | 30.9 | -7.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1168 | P | 37.5 | Very low | 35.6 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | | | trans | -79.9 | -179.1 | -163 | 41.3 | -44.2 | 0 | 0 | 0 | 113.1 | | |
| 1169 | D | 33.1 | Very low | 35.8 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | | | cis | -149 | 136.5 | 37.3 | -105.6 | -56.7 | 0 | 0 | 0 | 118 | | |
| 1170 | S | 28.9 | Very low | 35.9 | Very low | 85 Ų | 85 | 130.5 Ų | 130.5 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | | | | 33.9 | 113.6 | 120.5 | -47.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1171 | S | 36 | Very low | 36 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 69% | 0.69 | S | S | * | * | | | | -144.4 | 122.9 | 114.8 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1172 | L | 34.8 | Very low | 36 | Very low | 79 Ų | 79 | 132 Ų | 132 | 41% | 0.414 | 70% | 0.696 | S | S | . | * | | | trans | -132.6 | 135.1 | -169.2 | -74.6 | 144.2 | 0 | 0 | 0 | 109.9 | C314 | C314-L1172 HydrophobicContact CB-CD2 3.87Š|
| 1173 | S | 36.6 | Very low | 35.9 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | | | trans | -179.8 | 141.2 | 174.7 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | D312 | D312-S1173 WeakPolarHBondContact OD1-CA 3.31Å; D312-S1173 PolarHBondContact OD1-N 2.81Å |
| 1174 | N | 34.8 | Very low | 35.8 | Very low | 52 Ų | 52 | 132.5 Ų | 132.5 | 28% | 0.278 | 71% | 0.706 | S | S | . | * | | | cis | -167.2 | 79.6 | -28.4 | -114.4 | 7.3 | 0 | 0 | 0 | 113.5 | D311 D312 | D311-N1174 VanDerWaalsContact C-C 3.42Å; D311-N1174 WeakPolarHBondContact CA-O 3.42Å; D311-N1174 HydrophobicContact CB-CB 4.11Å; D311-N1174 VanDerWaalsContact CB-CG 3.44Å; D311-N1174 VanDerWaalsContact CB-ND2 3.35Å; D311-N1174 WeakPolarHBondContact CB-ND2 3.28Å; D311-N1174 PolarHBondContact OD1-ND2 2.86Å; D312-N1174 WeakPolarHBondContact CB-OD1 2.86Å; D312-N1174 PolarHBondContact N-OD1 3.16Å; D312-N1174 PolarHBondContact OD1-N 3.5Å; D312-N1174 VanDerWaalsContact OD2-CA 3.3Å; D312-N1174 WeakPolarHBondContact OD2-CA 3.45Å; D312-N1174 PolarHBondContact OD2-N 3.42Å |
| 1175 | T | 35.2 | Very low | 35.2 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 58% | 0.583 | 70% | 0.699 | S | S | * | * | | | trans | -171.8 | 166.1 | 155.8 | 15.4 | 0 | 0 | 0 | 0 | 116.4 | D311 D312 | D311-T1175 VanDerWaalsContact C-CA 3.44Å; D312-T1175 VanDerWaalsContact N-N 3.12Å; D312-T1175 PolarHBondContact OD2-N 3.14Å |
| 1176 | R | 32.7 | Very low | 35 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 48% | 0.479 | 69% | 0.694 | S | S | . | * | | | | -166.9 | 129.8 | -68.1 | -170.6 | 161.4 | -106 | 176.3 | -6.6 | 112.3 | S310 D311 | S310-R1176 VanDerWaalsContact C-NH1 3.35Å; S310-R1176 VanDerWaalsContact O-CD 3.23Å; S310-R1176 WeakPolarHBondContact O-CD 3.46Å; S310-R1176 PolarHBondContact O-NH1 2.7Å; D311-R1176 VanDerWaalsContact CB-NH2 3.32Å; D311-R1176 VanDerWaalsContact N-CD 3.35Å; D311-R1176 VanDerWaalsContact N-NE 3.1Å; D311-R1176 VanDerWaalsContact N-NH1 3.19Å; D311-R1176 WeakPolarHBondContact O-CB 3.22Å; D311-R1176 WeakPolarHBondContact O-CD 3.48Å; D311-R1176 VanDerWaalsContact O-CG 3.3Å; D311-R1176 WeakPolarHBondContact O-CG 3.4Å; D311-R1176 PolarHBondContact O-NE 3.42Å; D311-R1176 IonicContact OD2-CZ 3.09Å; D311-R1176 IonicContact OD2-NH1 2.71Å; D311-R1176 PolarHBondContact OD2-NH1 2.65Å; D311-R1176 IonicContact OD2-NH2 2.81Å; D311-R1176 PolarHBondContact OD2-NH2 3.17Å |
| 1177 | K | 37.5 | Very low | 35.1 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 62% | 0.622 | 69% | 0.692 | S | S | * | * | | | trans | 62.7 | 136.4 | 151.3 | -75 | 175.5 | -172.6 | 177.9 | 0 | 124.4 | | |
| 1178 | Y | 33.1 | Very low | 35 | Very low | 213 Ų | 213 | 132.4 Ų | 132.4 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | | | trans | 70.6 | 149.1 | 139.3 | -68.1 | -159.2 | 0 | 0 | 0 | 118.6 | | |
| 1179 | G | 33.1 | Very low | 35.1 | Very low | 65 Ų | 65 | 134.5 Ų | 134.5 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | | | cis | 158.2 | 161.9 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1180 | Q | 37.9 | Very low | 35.1 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 70% | 0.696 | S | S | * | * | | | trans | 64.1 | 156 | 172 | -71 | -168.2 | 1.3 | 0 | 0 | 117.3 | | |
| 1181 | T | 35.6 | Very low | 35.3 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | | | cis | 176.1 | 153.9 | -42.9 | 33.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1182 | K | 39.9 | Very low | 35.3 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 87% | 0.865 | 69% | 0.688 | S | S | * | * | | | trans | 76.7 | 132.8 | 164.4 | -56.9 | -148.9 | 176.1 | -170.7 | 0 | 118.8 | | |
| 1183 | N | 34.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 92% | 0.92 | 70% | 0.702 | S | S | * | * | | | trans | -61.5 | 139.9 | 164.6 | -54.5 | -7.4 | 0 | 0 | 0 | 110.4 | | |
| 1184 | R | 38.2 | Very low | 35.2 | Very low | 231 Ų | 231 | 147 Ų | 147 | 87% | 0.872 | 70% | 0.704 | S | S | * | * | | | trans | -141.4 | 132.2 | 150.4 | -162.3 | 173.2 | -176.8 | 157.5 | 2.2 | 107.9 | | |
| 1185 | N | 33.8 | Very low | 35.2 | Very low | 138 Ų | 138 | 150.7 Ų | 150.7 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | trans | -77.5 | -175 | 173.4 | -166.2 | 19.5 | 0 | 0 | 0 | 110 | | |
| 1186 | E | 36.7 | Very low | 35.1 | Very low | 144 Ų | 144 | 152 Ų | 152 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | | | trans | 90.8 | 95.7 | 165.6 | -59.7 | 162.1 | -155.8 | 0 | 0 | 117.2 | | |
| 1187 | H | 32 | Very low | 35.2 | Very low | 154 Ų | 154 | 152.9 Ų | 152.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | | 70.2 | 127 | 118.8 | -81.4 | -70.4 | 0 | 0 | 0 | 123.7 | | |
| 1188 | N | 32.8 | Very low | 35 | Very low | 127 Ų | 127 | 156.9 Ų | 156.9 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | | | trans | 83.8 | 152.3 | 133.4 | -65.5 | -6.7 | 0 | 0 | 0 | 120.9 | | |
| 1189 | I | 40.1 | Very low | 35.2 | Very low | 145 Ų | 145 | 155.7 Ų | 155.7 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | | | trans | 64.5 | 91.9 | 171.9 | -54.3 | 123.5 | 0 | 0 | 0 | 112.4 | | |
| 1190 | E | 32.6 | Very low | 35.3 | Very low | 176 Ų | 176 | 164 Ų | 164 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | | 71.6 | 153.3 | 71.9 | -66.8 | -164.4 | 118.3 | 0 | 0 | 115.3 | | |
| 1191 | E | 32.5 | Very low | 35.2 | Very low | 140 Ų | 140 | 159.7 Ų | 159.7 | 65% | 0.654 | 77% | 0.769 | S | S | * | * | | | trans | 69.1 | 110.8 | 167.3 | -60.9 | -133.3 | 119.6 | 0 | 0 | 120.3 | | |
| 1192 | K | 36.6 | Very low | 35.3 | Very low | 144 Ų | 144 | 161.8 Ų | 161.8 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | | | trans | 61.8 | 118.6 | 138.3 | -51.6 | 161.6 | -177.5 | 151.7 | 0 | 116.6 | | |
| 1193 | H | 37.4 | Very low | 35.2 | Very low | 155 Ų | 155 | 160.3 Ų | 160.3 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | | -171.7 | 143.9 | 70 | -95.9 | -88.3 | 0 | 0 | 0 | 113.3 | | |
| 1194 | F | 31 | Very low | 35.3 | Very low | 166 Ų | 166 | 157.7 Ų | 157.7 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | | | trans | 64.5 | 112.3 | 143.9 | -83.4 | -125.1 | 0 | 0 | 0 | 122.3 | | |
| 1195 | N | 34.8 | Very low | 35.5 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | | 54.2 | 96.7 | 126.3 | -60.1 | -11.3 | 0 | 0 | 0 | 120.2 | | |
| 1196 | S | 33.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 151.9 Ų | 151.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | -120.8 | 107.1 | 150.9 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | R1198 | S1196-R1198 PolarHBondContact O-N 3.04Š|
| 1197 | N | 34.5 | Very low | 35.4 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | -80.9 | 99.9 | -176.8 | -83.8 | -62.7 | 0 | 0 | 0 | 112.1 | | |
| 1198 | R | 34.6 | Very low | 35.4 | Very low | 226 Ų | 226 | 147 Ų | 147 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | trans | -159.3 | 138.9 | 155.7 | -123.6 | 167.1 | -83.2 | -165.3 | -3.4 | 114.6 | S1196 | S1196-R1198 PolarHBondContact O-N 3.04Š|
| 1199 | K | 36.6 | Very low | 35.7 | Very low | 189 Ų | 189 | 148 Ų | 148 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 64.7 | 67 | 163.6 | -57.6 | -177.9 | -177.4 | 175.8 | 0 | 118.2 | A1201 | K1199-A1201 PolarHBondContact O-N 3.2Š|
| 1200 | R | 34.4 | Very low | 35.3 | Very low | 238 Ų | 238 | 150.9 Ų | 150.9 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | | 46.8 | 64.3 | 117 | -160.2 | -170.9 | -155.4 | 178.1 | 8.4 | 116.2 | | |
| 1201 | A | 36.6 | Very low | 35.8 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | trans | -58.9 | 150 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | K1199 | K1199-A1201 PolarHBondContact O-N 3.2Š|
| 1202 | L | 37.7 | Very low | 36 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -92.6 | 119.8 | -179.7 | -67.1 | 167.2 | 0 | 0 | 0 | 110.1 | | |
| 1203 | L | 38.7 | Very low | 36.2 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | | | trans | -126.9 | 125.9 | 155.8 | -77.9 | 176.6 | 0 | 0 | 0 | 108.7 | | |
| 1204 | P | 36.4 | Very low | 36.3 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -71 | 148.8 | -177.7 | -19.3 | 32.7 | 0 | 0 | 0 | 113.4 | | |
| 1205 | P | 42.9 | Very low | 36.8 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | -68 | 157.9 | 164.9 | 30.6 | -34.2 | 0 | 0 | 0 | 111.6 | | |
| 1206 | P | 35.5 | Very low | 37 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -84.6 | 178.6 | -160.3 | 34.4 | -38.7 | 0 | 0 | 0 | 115.6 | | |
| 1207 | T | 32.8 | Very low | 37.2 | Very low | 94 Ų | 94 | 155 Ų | 155 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | | | trans | -80.4 | 165.1 | -177.2 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | P758 | P758-T1207 HydrophobicContact CB-CG2 3.62Š|
| 1208 | S | 32 | Very low | 37.5 | Very low | 102 Ų | 102 | 153.3 Ų | 153.3 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | trans | 62.2 | 108.6 | 163.3 | 63.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1209 | T | 37.8 | Very low | 37.4 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 91% | 0.908 | 78% | 0.783 | S | S | * | * | | | | -162.8 | 134.6 | 105.8 | 14.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1210 | K | 32.7 | Very low | 37.4 | Very low | 204 Ų | 204 | 153.2 Ų | 153.2 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | -96.2 | 170 | 170.5 | -76.4 | 179.6 | 179.7 | 176.3 | 0 | 108.7 | | |
| 1211 | P | 42.7 | Very low | 37.3 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | | | cis | -132.1 | 159.3 | -32.4 | 34 | -18.1 | 0 | 0 | 0 | 113.3 | | |
| 1212 | E | 35.5 | Very low | 37 | Very low | 150 Ų | 150 | 149.7 Ų | 149.7 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | -109.2 | 79.6 | 155.7 | -86.6 | -155.3 | 130.4 | 0 | 0 | 110.5 | K1214 | E1212-K1214 VanDerWaalsContact C-N 3.28Å; E1212-K1214 PolarHBondContact O-N 2.85Å; E1212-K1214 WeakPolarHBondContact OE1-CE 3.45Å; E1212-K1214 IonicContact OE1-NZ 2.85Å; E1212-K1214 PolarHBondContact OE1-NZ 3.27Å; E1212-K1214 WeakPolarHBondContact OE2-CE 3.3Å; E1212-K1214 IonicContact OE2-NZ 2.99Å; E1212-K1214 PolarHBondContact OE2-NZ 3.33Å |
| 1213 | T | 41.5 | Very low | 37 | Very low | 104 Ų | 104 | 148 Ų | 148 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | | | trans | -78.6 | 80.3 | 172.1 | -29 | 0 | 0 | 0 | 0 | 109.5 | I1215 | T1213-I1215 HydrophobicContact CG2-CD1 3.89Å; T1213-I1215 HydrophobicContact CG2-CG1 4.03Å; T1213-I1215 PolarHBondContact O-N 3.28Å |
| 1214 | K | 40.6 | Very low | 36.7 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | | | trans | -71.9 | 61.1 | 176.4 | -79.1 | 171.5 | 172.2 | 150 | 0 | 112.2 | E1212 | E1212-K1214 VanDerWaalsContact C-N 3.28Å; E1212-K1214 PolarHBondContact O-N 2.85Å; E1212-K1214 WeakPolarHBondContact OE1-CE 3.45Å; E1212-K1214 IonicContact OE1-NZ 2.85Å; E1212-K1214 PolarHBondContact OE1-NZ 3.27Å; E1212-K1214 WeakPolarHBondContact OE2-CE 3.3Å; E1212-K1214 IonicContact OE2-NZ 2.99Å; E1212-K1214 PolarHBondContact OE2-NZ 3.33Å |
| 1215 | I | 41.7 | Very low | 36.5 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | -75.9 | 127.3 | 166.3 | -67.2 | 171.6 | 0 | 0 | 0 | 107.9 | T1213 R1217 | T1213-I1215 HydrophobicContact CG2-CD1 3.89Å; T1213-I1215 HydrophobicContact CG2-CG1 4.03Å; T1213-I1215 PolarHBondContact O-N 3.28Å; I1215-R1217 PolarHBondContact O-N 3.48Å |
| 1216 | W | 37.1 | Very low | 35.9 | Very low | 242 Ų | 242 | 148.3 Ų | 148.3 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | | | trans | -70.6 | 100.4 | 179 | -70.3 | 70.9 | 0 | 0 | 0 | 109.3 | S1218 | W1216-S1218 PolarHBondContact O-N 3.14Š|
| 1217 | R | 39 | Very low | 36.1 | Very low | 241 Ų | 241 | 146.9 Ų | 146.9 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | | | trans | -66.7 | 94.2 | 169.6 | -72.9 | -170.3 | -178.4 | -121.3 | 5.7 | 109.5 | I1215 R1219 | I1215-R1217 PolarHBondContact O-N 3.48Å; R1217-R1219 PolarHBondContact O-N 3.03Å; R1217-R1219 VanDerWaalsContact O-N 3.14Å |
| 1218 | S | 40.4 | Very low | 35.9 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -62.3 | 109.6 | 157.3 | 47.8 | 0 | 0 | 0 | 0 | 108.8 | W1216 K1220 | W1216-S1218 PolarHBondContact O-N 3.14Å; S1218-K1220 PolarHBondContact O-N 2.95Å |
| 1219 | R | 33.8 | Very low | 35.9 | Very low | 222 Ų | 222 | 147.4 Ų | 147.4 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | | | trans | 10.7 | 107.4 | 143.1 | 176.8 | -173.1 | -74.9 | -137.1 | -6.2 | 113.1 | R1217 | R1217-R1219 PolarHBondContact O-N 3.03Å; R1217-R1219 VanDerWaalsContact O-N 3.14Å |
| 1220 | K | 35 | Very low | 35.6 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | | | cis | 54.7 | 108.7 | 29.5 | -163.2 | 72.6 | 175.5 | -179.5 | 0 | 113 | S1218 | S1218-K1220 PolarHBondContact O-N 2.95Š|
| 1221 | G | 32.5 | Very low | 35.6 | Very low | 52 Ų | 52 | 142.2 Ų | 142.2 | 54% | 0.536 | 74% | 0.741 | S | S | . | * | | | trans | 94.5 | 129.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1222 | Y | 31.7 | Very low | 34.9 | Very low | 209 Ų | 209 | 148.8 Ų | 148.8 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | | | cis | -139.1 | 140 | 3.9 | -98.7 | -102.6 | 0 | 0 | 0 | 110.9 | N1224 | Y1222-N1224 WeakPolarHBondContact CD1-OD1 3.45Š|
| 1223 | V | 35.8 | Very low | 34.6 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | -77.2 | 124 | 144.8 | 172.7 | 0 | 0 | 0 | 0 | 105.4 | E1225 | V1223-E1225 HydrophobicContact CG1-CG 4.34Š|
| 1224 | N | 34.3 | Very low | 34.2 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -121.9 | 113.3 | 158.6 | -93 | 26.8 | 0 | 0 | 0 | 106.2 | Y1222 | Y1222-N1224 WeakPolarHBondContact CD1-OD1 3.45Š|
| 1225 | E | 32.2 | Very low | 33.6 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | | | trans | -69.1 | -155.5 | 159.4 | -59.3 | 148.4 | -134 | 0 | 0 | 109.6 | V1223 | V1223-E1225 HydrophobicContact CG1-CG 4.34Š|
| 1226 | V | 29.5 | Very low | 33.2 | Very low | 131 Ų | 131 | 153 Ų | 153 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | 81.5 | 118.5 | 173.2 | -170.2 | 0 | 0 | 0 | 0 | 112 | | |
| 1227 | P | 38.8 | Very low | 33 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | | -136.5 | -178.5 | -103.5 | 38 | -21.1 | 0 | 0 | 0 | 114.4 | S1229 | P1227-S1229 VanDerWaalsContact C-N 3.25Å; P1227-S1229 PolarHBondContact O-N 3.11Å |
| 1228 | A | 30.1 | Very low | 32.7 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | trans | -65.5 | 76.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1230 | A1228-S1230 PolarHBondContact O-N 3.16Š|
| 1229 | S | 30.3 | Very low | 32 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | -91.5 | 74.8 | 179.5 | -72.2 | 0 | 0 | 0 | 0 | 113.9 | P1227 | P1227-S1229 VanDerWaalsContact C-N 3.25Å; P1227-S1229 PolarHBondContact O-N 3.11Å |
| 1230 | S | 31.7 | Very low | 32.1 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | | | | 81.5 | 168.2 | 126.7 | -147.7 | 0 | 0 | 0 | 0 | 121.2 | A1228 | A1228-S1230 PolarHBondContact O-N 3.16Š|
| 1231 | L | 32.7 | Very low | 31.7 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | trans | 47.6 | 88.4 | 170.7 | -96.9 | 64.7 | 0 | 0 | 0 | 119 | H1233 | L1231-H1233 PolarHBondContact O-N 3.27Š|
| 1232 | R | 29.4 | Very low | 31.5 | Very low | 240 Ų | 240 | 139.2 Ų | 139.2 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | | -15.5 | 123.9 | 120.8 | -51.1 | 168.3 | -176.8 | 173.5 | -0.2 | 112.9 | | |
| 1233 | H | 27.8 | Very low | 31.9 | Very low | 178 Ų | 178 | 136 Ų | 136 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -156.3 | 151.8 | 143.8 | -121.8 | -93 | 0 | 0 | 0 | 110.7 | L1231 | L1231-H1233 PolarHBondContact O-N 3.27Š|
| 1234 | P | 34.4 | Very low | 31.8 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 63% | 0.63 | 75% | 0.751 | S | S | * | * | | | trans | -115.4 | -175.1 | -164.2 | 41.9 | -30.8 | 0 | 0 | 0 | 114.4 | | |
| 1235 | Q | 28 | Very low | 31.7 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | | | trans | 79.2 | 144 | 167.3 | -61.4 | 178.6 | -8.5 | 0 | 0 | 117.3 | | |
| 1236 | L | 32.9 | Very low | 31.8 | Very low | 168 Ų | 168 | 140 Ų | 140 | 88% | 0.88 | 76% | 0.759 | S | S | * | * | | | trans | -85.6 | 128.3 | 176.1 | -83.1 | 170.5 | 0 | 0 | 0 | 110.4 | | |
| 1237 | P | 33.3 | Very low | 31.9 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | | | trans | -54.6 | 140.6 | 143.6 | -20.1 | 34.4 | 0 | 0 | 0 | 109.1 | | |
| 1238 | N | 32.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | | 48.4 | 139.8 | 73 | -82.8 | -10.2 | 0 | 0 | 0 | 114.4 | | |
| 1239 | S | 26.6 | Very low | 31.3 | Very low | 71 Ų | 71 | 147.5 Ų | 147.5 | 50% | 0.497 | 76% | 0.764 | S | S | . | * | | | cis | -171.6 | 179.8 | -19.1 | -165.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1240 | H | 34.2 | Very low | 31 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 59 | 113 | 157.4 | -58.2 | -47.2 | 0 | 0 | 0 | 117.2 | | |
| 1241 | H | 28.6 | Very low | 31.2 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | | 66.7 | 122.5 | 83.9 | -72.6 | 8.3 | 0 | 0 | 0 | 115.1 | | |
| 1242 | S | 26.8 | Very low | 31 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | 51.3 | 93.1 | 155.6 | 58.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1243 | V | 40.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 144 Ų | 144 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | | | | -135.5 | 125.7 | 120.1 | -92.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1244 | N | 33.1 | Very low | 31.5 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | | | trans | 30.4 | 108.7 | 162.5 | -73.5 | -55 | 0 | 0 | 0 | 122.5 | | |
| 1245 | K | 33.3 | Very low | 31.3 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | | 57.6 | 126 | 113.2 | -65.7 | 172.9 | -169.9 | 142.8 | 0 | 121.1 | | |
| 1246 | K | 34.4 | Very low | 31.3 | Very low | 188 Ų | 188 | 142.8 Ų | 142.8 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | | | trans | 66.8 | 107.6 | 137.8 | -67.9 | -174.4 | 177 | -173.9 | 0 | 117.2 | | |
| 1247 | V | 31.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | | 84.5 | 101.3 | 74.1 | 164.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1248 | F | 29.2 | Very low | 31.1 | Very low | 196 Ų | 196 | 145.9 Ų | 145.9 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | trans | 68.6 | 145.2 | 148.7 | -84.3 | -109.4 | 0 | 0 | 0 | 122.2 | | |
| 1249 | H | 26.1 | Very low | 31 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 98.9 | 86.7 | 140.6 | -143.3 | 92.7 | 0 | 0 | 0 | 121.9 | | |
| 1250 | G | 25.1 | Very low | 31.2 | Very low | 63 Ų | 63 | 150.9 Ų | 150.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | | 95.2 | 174.3 | 120.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 1251 | Q | 34.8 | Very low | 31 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 63.3 | 116.1 | 175.2 | -48.4 | -170 | 18.4 | 0 | 0 | 115.4 | | |
| 1252 | V | 28.9 | Very low | 31.1 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | cis | 80.3 | 68.7 | 16.5 | -160.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1253 | T | 35.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -160.9 | 156.6 | 159.2 | 43.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1254 | S | 31.1 | Very low | 31 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | cis | -167.5 | 153.5 | -15.9 | -105.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1255 | K | 31.8 | Very low | 30.9 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | | | trans | 62.8 | 121.9 | 151.4 | -66.1 | 166.5 | -178 | 171.5 | 0 | 120.7 | | |
| 1256 | T | 28.2 | Very low | 30.8 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 87% | 0.871 | 78% | 0.777 | S | S | * | * | | | trans | -79.2 | 159.2 | 157.8 | 43.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1257 | S | 28.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -162.4 | 154.7 | 164.3 | -153 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1258 | R | 34 | Very low | 30.6 | Very low | 223 Ų | 223 | 150.3 Ų | 150.3 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | trans | 79.4 | 115 | 162.5 | -56.9 | -174.9 | 175.5 | -170.1 | -2.5 | 120.8 | | |
| 1259 | R | 29.4 | Very low | 30.9 | Very low | 238 Ų | 238 | 147 Ų | 147 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | trans | 66.7 | 152 | 139.8 | -71.7 | -177.1 | 171.7 | 178.8 | -5 | 119.2 | | |
| 1260 | S | 31 | Very low | 31.3 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -173.9 | 148.5 | -23.8 | 48.9 | 0 | 0 | 0 | 0 | 111 | | |
| 1261 | S | 29.4 | Very low | 31.6 | Very low | 111 Ų | 111 | 146 Ų | 146 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | 33 | 143.5 | 142.7 | 68.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1262 | A | 30.8 | Very low | 31.4 | Very low | 83 Ų | 83 | 148.6 Ų | 148.6 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | | | cis | -168.4 | 166.7 | 21.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1263 | M | 31.8 | Very low | 31.4 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | trans | 65.2 | 145 | 150.8 | -67.7 | -75.3 | 130.8 | 0 | 0 | 117.5 | | |
| 1264 | K | 32.8 | Very low | 31.2 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | cis | -153.3 | 157 | 5.7 | -170.1 | 172.4 | 173.9 | -177.8 | 0 | 110.5 | | |
| 1265 | N | 32.3 | Very low | 31.4 | Very low | 111 Ų | 111 | 152 Ų | 152 | 59% | 0.594 | 78% | 0.78 | S | S | * | * | | | trans | -33.6 | 166.6 | 169.9 | -24.9 | -14.4 | 0 | 0 | 0 | 116.4 | | |
| 1266 | Q | 30.8 | Very low | 31.5 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | cis | -164.6 | -178.1 | 10.1 | -135.7 | 157.7 | -59.5 | 0 | 0 | 106.8 | | |
| 1267 | R | 31.8 | Very low | 31.6 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 68% | 0.683 | 78% | 0.778 | S | S | * | * | | | cis | -158.5 | 132.7 | 7.7 | 171.8 | -169.1 | 179.6 | -153.4 | 0.7 | 108.6 | E1269 | R1267-E1269 HydrophobicContact CG-CG 4.46Å; R1267-E1269 IonicContact CZ-OE2 2.75Å; R1267-E1269 IonicContact NE-OE1 2.88Å; R1267-E1269 IonicContact NE-OE2 2.65Å; R1267-E1269 PolarHBondContact NE-OE2 3.2Å; R1267-E1269 IonicContact NH2-OE2 2.7Å; R1267-E1269 PolarHBondContact NH2-OE2 2.79Å |
| 1268 | E | 29.7 | Very low | 31.8 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | -136 | 130.9 | 154 | -77.9 | -170.9 | 170 | 0 | 0 | 108.9 | | |
| 1269 | E | 35.9 | Very low | 31.6 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 58% | 0.584 | 78% | 0.78 | S | S | * | * | | | trans | -122.3 | 84.8 | 176.5 | -76.6 | 157.9 | -178.2 | 0 | 0 | 106.1 | R1267 | R1267-E1269 HydrophobicContact CG-CG 4.46Å; R1267-E1269 IonicContact CZ-OE2 2.75Å; R1267-E1269 IonicContact NE-OE1 2.88Å; R1267-E1269 IonicContact NE-OE2 2.65Å; R1267-E1269 PolarHBondContact NE-OE2 3.2Å; R1267-E1269 IonicContact NH2-OE2 2.7Å; R1267-E1269 PolarHBondContact NH2-OE2 2.79Å |
| 1270 | S | 33.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | | 71.6 | 77.9 | 96.2 | -65.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1271 | S | 32.3 | Very low | 32.1 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | | | trans | -58.7 | 133.2 | 167 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1272 | W | 29.5 | Very low | 32.3 | Very low | 229 Ų | 229 | 157.1 Ų | 157.1 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | trans | -94.3 | 120.1 | 173.3 | -68.5 | 11.7 | 0 | 0 | 0 | 110.1 | T1274 | W1272-T1274 PolarHBondContact O-N 3.26Š|
| 1273 | S | 30.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 159.4 Ų | 159.4 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -92.3 | 84.6 | 166.4 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | M1275 | S1273-M1275 PolarHBondContact O-N 3.05Å; S1273-M1275 VanDerWaalsContact O-N 3.14Å |
| 1274 | T | 31.2 | Very low | 32.4 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -80.2 | 88.8 | 175.6 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | W1272 | W1272-T1274 PolarHBondContact O-N 3.26Š|
| 1275 | M | 35.5 | Very low | 32.3 | Very low | 184 Ų | 184 | 158.4 Ų | 158.4 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | -80.2 | 150 | 173.6 | -165.8 | 165.8 | 176.1 | 0 | 0 | 110.9 | S1273 | S1273-M1275 PolarHBondContact O-N 3.05Å; S1273-M1275 VanDerWaalsContact O-N 3.14Å |
| 1276 | A | 32.2 | Very low | 32.3 | Very low | 93 Ų | 93 | 164.9 Ų | 164.9 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -66.3 | 148.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1278 | A1276-E1278 PolarHBondContact O-N 3.41Å; A1276-E1278 VanDerWaalsContact O-N 3.15Å |
| 1277 | H | 31.4 | Very low | 32.2 | Very low | 197 Ų | 197 | 160.8 Ų | 160.8 | 91% | 0.912 | 81% | 0.805 | S | S | * | * | | | trans | -78.5 | 91 | 173.3 | -113 | -57.5 | 0 | 0 | 0 | 110.7 | | |
| 1278 | E | 32.2 | Very low | 32 | Very low | 168 Ų | 168 | 158.3 Ų | 158.3 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -79.8 | 147.5 | 162.6 | -165.6 | 156.9 | -144.6 | 0 | 0 | 110.4 | A1276 | A1276-E1278 PolarHBondContact O-N 3.41Å; A1276-E1278 VanDerWaalsContact O-N 3.15Å |
| 1279 | R | 30.8 | Very low | 32 | Very low | 234 Ų | 234 | 153 Ų | 153 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | -100.2 | 106.1 | -167.5 | -60 | -179.5 | -172.4 | -179.1 | 2.6 | 111 | | |
| 1280 | H | 35.7 | Very low | 31.7 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 82% | 0.819 | 82% | 0.817 | S | S | * | * | | | trans | -91.7 | 132 | 162.4 | -72.5 | -60.1 | 0 | 0 | 0 | 111.1 | | |
| 1281 | T | 35.2 | Very low | 31.7 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | | | trans | -64.5 | 146.3 | 175.1 | 41.7 | 0 | 0 | 0 | 0 | 111 | | |
| 1282 | R | 33.2 | Very low | 31.8 | Very low | 236 Ų | 236 | 161.3 Ų | 161.3 | 89% | 0.891 | 83% | 0.83 | S | S | * | * | | | trans | -93.5 | 105 | 163 | -91.8 | -172.3 | 167.8 | 127.2 | -3.7 | 108.6 | | |
| 1283 | D | 31.3 | Very low | 31.7 | Very low | 132 Ų | 132 | 156.5 Ų | 156.5 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | | | trans | -88.4 | 117.2 | 159.5 | -62.3 | -68.4 | 0 | 0 | 0 | 108.2 | | |
| 1284 | D | 33.8 | Very low | 31.8 | Very low | 152 Ų | 152 | 153.8 Ų | 153.8 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -148.8 | 129 | 169.1 | -104.3 | -45.6 | 0 | 0 | 0 | 108.4 | | |
| 1285 | H | 30.8 | Very low | 31.9 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 82% | 0.819 | 83% | 0.826 | S | S | * | * | | | trans | -93.7 | 132.6 | -167.1 | -59.3 | -60.6 | 0 | 0 | 0 | 114.4 | | |
| 1286 | Y | 30.7 | Very low | 31.8 | Very low | 247 Ų | 247 | 152.6 Ų | 152.6 | 97% | 0.969 | 82% | 0.818 | S | S | * | * | | | trans | -153.9 | 144.5 | 144.3 | -77.2 | -76.4 | 0 | 0 | 0 | 108.4 | | |
| 1287 | G | 28.8 | Very low | 31.7 | Very low | 72 Ų | 72 | 154.9 Ų | 154.9 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | cis | -169.7 | 151.8 | -7.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1288 | S | 27.5 | Very low | 31.7 | Very low | 129 Ų | 129 | 153.9 Ų | 153.9 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -81.8 | 143.1 | -176.6 | -168.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1289 | G | 29.4 | Very low | 31.6 | Very low | 73 Ų | 73 | 151.3 Ų | 151.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -149.7 | 97.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1290 | S | 31.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 148.9 Ų | 148.9 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | -106.6 | 138.9 | -179.5 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1291 | F | 33 | Very low | 31.6 | Very low | 211 Ų | 211 | 147.6 Ų | 147.6 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | | | trans | -133.4 | 167.6 | 171.3 | -84.7 | -76.1 | 0 | 0 | 0 | 111.6 | | |
| 1292 | K | 33.7 | Very low | 31.4 | Very low | 205 Ų | 205 | 149.4 Ų | 149.4 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -88.6 | 161.1 | -152 | -70.3 | -179.9 | 175.1 | 179.4 | 0 | 115.7 | | |
| 1293 | S | 28.7 | Very low | 31.3 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | | | trans | -68.1 | 155.3 | 176.9 | -40.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1294 | G | 32.2 | Very low | 31.3 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | 168.8 | 146.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1295 | T | 32.7 | Very low | 31.2 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | cis | -172.4 | 122 | -9.1 | -80.7 | 0 | 0 | 0 | 0 | 104.7 | | |
| 1296 | M | 33.1 | Very low | 31.2 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | trans | 37.1 | 117.9 | 155.9 | -55.1 | -57.8 | -73.1 | 0 | 0 | 122.1 | | |
| 1297 | H | 30.4 | Very low | 31.4 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 65% | 0.653 | 80% | 0.797 | S | S | * | * | | | trans | 24.8 | 124.9 | 134.4 | -66.3 | -94.1 | 0 | 0 | 0 | 121.4 | D1299 | H1297-D1299 IonicContact CE1-OD2 2.64Å; H1297-D1299 IonicContact CG-OD2 3.87Å; H1297-D1299 IonicContact ND1-OD2 2.64Å; H1297-D1299 PolarHBondContact ND1-OD2 3.38Å |
| 1298 | I | 32 | Very low | 31.5 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | | -131.7 | 129.2 | 129.7 | -59.9 | -178.8 | 0 | 0 | 0 | 107 | | |
| 1299 | D | 29.7 | Very low | 32.1 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 62% | 0.615 | 80% | 0.797 | S | S | * | * | | | trans | -111.4 | 170.8 | -179.7 | -74.9 | -77.5 | 0 | 0 | 0 | 111.5 | H1297 | H1297-D1299 IonicContact CE1-OD2 2.64Å; H1297-D1299 IonicContact CG-OD2 3.87Å; H1297-D1299 IonicContact ND1-OD2 2.64Å; H1297-D1299 PolarHBondContact ND1-OD2 3.38Å |
| 1300 | M | 32.8 | Very low | 32.3 | Very low | 182 Ų | 182 | 146.5 Ų | 146.5 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | 71.9 | 100.1 | 164.4 | -44.7 | -172.7 | 85.7 | 0 | 0 | 119.3 | | |
| 1301 | T | 33.7 | Very low | 32.1 | Very low | 151 Ų | 151 | 152.8 Ų | 152.8 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | | | | -148.3 | 121.8 | 126.1 | 49.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1302 | D | 29.9 | Very low | 32.3 | Very low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | | | trans | -107.2 | 119 | 170.9 | 175.8 | 20.4 | 0 | 0 | 0 | 109.5 | | |
| 1303 | S | 32.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -172.6 | 114.8 | 166.1 | -86.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1304 | S | 29.7 | Very low | 32.3 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | 57.8 | 124.9 | 136.2 | -155.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 1305 | S | 33.1 | Very low | 32 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | trans | 63.9 | 95.9 | 134.2 | 65.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1306 | R | 30.2 | Very low | 31.9 | Very low | 250 Ų | 250 | 150 Ų | 150 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | | | | 68.6 | 163.2 | 123.2 | -83.4 | -168.8 | 175.5 | -129 | -2 | 119.8 | | |
| 1307 | P | 34.9 | Very low | 32 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | | | trans | -130.7 | 153.9 | -132.8 | 42.4 | -29.4 | 0 | 0 | 0 | 118.5 | | |
| 1308 | R | 31.8 | Very low | 32.1 | Very low | 242 Ų | 242 | 151.3 Ų | 151.3 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | | | | 170.3 | 163.5 | 118.3 | -95.4 | 179.7 | 171.6 | -175.9 | -1.8 | 112.8 | | |
| 1309 | P | 38.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 153 Ų | 153 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | | | trans | -117.6 | 169.5 | -165.9 | 42.3 | -33.1 | 0 | 0 | 0 | 115.9 | | |
| 1310 | P | 34.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 154.4 Ų | 154.4 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | | | trans | -127.3 | 172.8 | 144.7 | 35.1 | -21.6 | 0 | 0 | 0 | 114.2 | | |
| 1311 | R | 27 | Very low | 32.6 | Very low | 235 Ų | 235 | 150.4 Ų | 150.4 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | -90.9 | 155.7 | -177 | -59.3 | 167.9 | 163 | 99.7 | -7.4 | 112.6 | | |
| 1312 | F | 35.8 | Very low | 32.8 | Very low | 216 Ų | 216 | 152 Ų | 152 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | | | trans | -178.1 | 157.1 | 134.6 | -108.7 | -74.9 | 0 | 0 | 0 | 110.5 | | |
| 1313 | G | 30.2 | Very low | 32.9 | Very low | 71 Ų | 71 | 147.9 Ų | 147.9 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | 126.3 | 95.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1314 | H | 32.6 | Very low | 33.1 | Very low | 167 Ų | 167 | 149 Ų | 149 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -44.1 | 166.9 | 157.8 | -72 | -82.5 | 0 | 0 | 0 | 116.8 | | |
| 1315 | T | 26.5 | Very low | 33.1 | Very low | 108 Ų | 108 | 154.2 Ų | 154.2 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | | | cis | 175.2 | 142.1 | -32.4 | 26.3 | 0 | 0 | 0 | 0 | 107 | | |
| 1316 | T | 31.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | 56.9 | 120.5 | 151.7 | 56.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1317 | N | 34 | Very low | 33.5 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | | | trans | -163.2 | 115 | 139.2 | -91.7 | -43.5 | 0 | 0 | 0 | 107.5 | | |
| 1318 | N | 32.3 | Very low | 33.6 | Very low | 159 Ų | 159 | 155.9 Ų | 155.9 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | | | | 59.1 | 107.4 | 74.5 | -88.5 | 6.7 | 0 | 0 | 0 | 116.3 | | |
| 1319 | K | 35.5 | Very low | 33.6 | Very low | 212 Ų | 212 | 150 Ų | 150 | 92% | 0.922 | 78% | 0.784 | S | S | * | * | | | trans | -160.9 | 142.3 | 155.6 | -156.6 | 162.1 | -171.2 | 170.6 | 0 | 110.8 | | |
| 1320 | D | 33.9 | Very low | 33.1 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | | | trans | -152.2 | 170.5 | -166.7 | -141.6 | -30.6 | 0 | 0 | 0 | 113.3 | | |
| 1321 | T | 35.4 | Very low | 33.2 | Very low | 98 Ų | 98 | 155.2 Ų | 155.2 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | | | trans | 63.4 | 150.2 | 162.6 | 58.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 1322 | H | 38.9 | Very low | 33.5 | Very low | 186 Ų | 186 | 151.4 Ų | 151.4 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | trans | 75.2 | 136.4 | 169.8 | -38.7 | -75.3 | 0 | 0 | 0 | 118.3 | | |
| 1323 | G | 32.6 | Very low | 33.4 | Very low | 70 Ų | 70 | 152.1 Ų | 152.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | cis | 164.9 | 162.7 | -14 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1324 | V | 35.4 | Very low | 33.7 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | trans | 80.2 | 108 | 143.8 | 179.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1325 | R | 31.7 | Very low | 33.7 | Very low | 215 Ų | 215 | 152.1 Ų | 152.1 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | 75 | 124.9 | 136.8 | -81.2 | -175.4 | 163.1 | -165.3 | -0.3 | 125.4 | | |
| 1326 | Q | 39 | Very low | 34.3 | Very low | 128 Ų | 128 | 156.9 Ų | 156.9 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | | | | 103 | 117.8 | 120.1 | -82.3 | -164.9 | 37.9 | 0 | 0 | 124.3 | | |
| 1327 | N | 31.3 | Very low | 34.3 | Very low | 114 Ų | 114 | 159.1 Ų | 159.1 | 61% | 0.61 | 80% | 0.796 | S | S | * | * | | | | 55.5 | 114.9 | 124.2 | -59.3 | -11.3 | 0 | 0 | 0 | 122.2 | | |
| 1328 | Y | 38.2 | Very low | 34.3 | Very low | 243 Ų | 243 | 159.4 Ų | 159.4 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | trans | -139.3 | 153 | 130.2 | -89.6 | -73 | 0 | 0 | 0 | 110.9 | | |
| 1329 | T | 30.1 | Very low | 34.4 | Very low | 119 Ų | 119 | 159.8 Ų | 159.8 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | | | trans | -119.8 | 128.5 | -167.3 | 53.9 | 0 | 0 | 0 | 0 | 114 | | |
| 1330 | S | 29.7 | Very low | 34.5 | Very low | 104 Ų | 104 | 157.1 Ų | 157.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | 43 | 125.8 | 144.6 | 57.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1331 | R | 36 | Very low | 34.5 | Very low | 250 Ų | 250 | 159.5 Ų | 159.5 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | | | trans | -156.9 | 133.7 | 133.3 | -107.2 | 161.9 | -156.4 | -156.8 | 4.4 | 110.9 | | |
| 1332 | N | 34.3 | Very low | 34.6 | Very low | 155 Ų | 155 | 160.3 Ų | 160.3 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | -101.6 | 154 | -177 | -69.1 | -43.8 | 0 | 0 | 0 | 111.8 | | |
| 1333 | Y | 33.1 | Very low | 34.3 | Very low | 231 Ų | 231 | 158 Ų | 158 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -118.5 | 134.9 | 160.1 | -91.1 | -85.3 | 0 | 0 | 0 | 110.2 | | |
| 1334 | P | 36.2 | Very low | 34.5 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -95.5 | 152.3 | -169.9 | 35.9 | -35.8 | 0 | 0 | 0 | 115.1 | | |
| 1335 | V | 32.5 | Very low | 34.6 | Very low | 119 Ų | 119 | 161 Ų | 161 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | | | trans | -68.4 | 145.8 | 174 | 174.7 | 0 | 0 | 0 | 0 | 112 | | |
| 1336 | K | 38.5 | Very low | 34.8 | Very low | 208 Ų | 208 | 157.8 Ų | 157.8 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | | | trans | -118.2 | 109.1 | 159.9 | -72.4 | -176.3 | 178.9 | 177.9 | 0 | 110.1 | | |
| 1337 | H | 32.6 | Very low | 34.7 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | | | trans | -76.7 | 143.7 | 162 | -83.3 | -89.2 | 0 | 0 | 0 | 110 | | |
| 1338 | L | 32.7 | Very low | 34.8 | Very low | 167 Ų | 167 | 160.3 Ų | 160.3 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -125.1 | 142 | 161 | -170.3 | 63.2 | 0 | 0 | 0 | 108.6 | I1340 | L1338-I1340 PolarHBondContact O-N 2.94Š|
| 1339 | H | 35.5 | Very low | 34.9 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -82.8 | 113 | -167.9 | -62.7 | -93.6 | 0 | 0 | 0 | 112.3 | | |
| 1340 | I | 36.5 | Very low | 35.1 | Very low | 156 Ų | 156 | 158 Ų | 158 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -83.6 | 114.4 | 155.6 | -61.4 | 175.9 | 0 | 0 | 0 | 106.9 | L1338 T1342 | L1338-I1340 PolarHBondContact O-N 2.94Å; I1340-T1342 HydrophobicContact CG2-CG2 4.47Å |
| 1341 | K | 34.7 | Very low | 35.2 | Very low | 193 Ų | 193 | 164.6 Ų | 164.6 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | | | trans | -86.3 | 106.5 | 168.2 | -74.3 | -174.5 | 175.4 | -175.8 | 0 | 108.7 | D1343 | K1341-D1343 PolarHBondContact O-N 2.78Š|
| 1342 | T | 36.5 | Very low | 35.2 | Very low | 115 Ų | 115 | 157.3 Ų | 157.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -75.2 | 95.8 | 166.2 | 49.2 | 0 | 0 | 0 | 0 | 108.7 | I1340 V1344 | I1340-T1342 HydrophobicContact CG2-CG2 4.47Å; T1342-V1344 VanDerWaalsContact C-N 3.33Å; T1342-V1344 PolarHBondContact O-N 3.36Å |
| 1343 | D | 33.8 | Very low | 35 | Very low | 138 Ų | 138 | 160.1 Ų | 160.1 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | | | trans | -80.6 | 83.8 | 175.7 | -149.3 | -6.6 | 0 | 0 | 0 | 109.1 | K1341 H1345 | K1341-D1343 PolarHBondContact O-N 2.78Å; D1343-H1345 PolarHBondContact O-N 3.39Å |
| 1344 | V | 35.4 | Very low | 35 | Very low | 109 Ų | 109 | 154.6 Ų | 154.6 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | | | trans | -79.8 | 85.9 | -177.6 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | T1342 D1346 | T1342-V1344 VanDerWaalsContact C-N 3.33Å; T1342-V1344 PolarHBondContact O-N 3.36Å; V1344-D1346 PolarHBondContact O-N 3.24Å |
| 1345 | H | 38.7 | Very low | 34.8 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | | | trans | -76.5 | 102 | 168.5 | -99.2 | -65.7 | 0 | 0 | 0 | 110.2 | D1343 S1347 | D1343-H1345 PolarHBondContact O-N 3.39Å; H1345-S1347 PolarHBondContact O-N 2.71Å |
| 1346 | D | 35.2 | Very low | 34.8 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | -58.4 | 98.3 | 170.2 | -81 | -40.5 | 0 | 0 | 0 | 111 | V1344 K1348 | V1344-D1346 PolarHBondContact O-N 3.24Å; D1346-K1348 PolarHBondContact O-N 3.32Å |
| 1347 | S | 36.8 | Very low | 34.6 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | -70.8 | 94.9 | 172 | 57.7 | 0 | 0 | 0 | 0 | 109.5 | H1345 L1349 | H1345-S1347 PolarHBondContact O-N 2.71Å; S1347-L1349 PolarHBondContact O-N 3.03Å |
| 1348 | K | 34.5 | Very low | 34.6 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -52.1 | 107.4 | 170.7 | -86 | -172.8 | 173 | -177.9 | 0 | 110 | D1346 H1350 | D1346-K1348 PolarHBondContact O-N 3.32Å; K1348-H1350 PolarHBondContact O-N 2.73Å; K1348-H1350 VanDerWaalsContact O-N 3.09Å |
| 1349 | L | 38.8 | Very low | 34.7 | Very low | 146 Ų | 146 | 149.6 Ų | 149.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -69.6 | 104 | -179.7 | -67.9 | 171.2 | 0 | 0 | 0 | 110.1 | S1347 W1351 | S1347-L1349 PolarHBondContact O-N 3.03Å; L1349-W1351 PolarHBondContact O-N 2.7Å |
| 1350 | H | 34.6 | Very low | 35 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -69.5 | 116.7 | 168.5 | -104 | -102.8 | 0 | 0 | 0 | 110.1 | K1348 S1352 | K1348-H1350 PolarHBondContact O-N 2.73Å; K1348-H1350 VanDerWaalsContact O-N 3.09Å; H1350-S1352 PolarHBondContact O-N 2.65Å |
| 1351 | W | 32.2 | Very low | 34.8 | Very low | 243 Ų | 243 | 154.8 Ų | 154.8 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | | | trans | -77.5 | 74.4 | 169 | -68.2 | -2.3 | 0 | 0 | 0 | 110.3 | L1349 K1353 | L1349-W1351 PolarHBondContact O-N 2.7Å; W1351-K1353 PolarHBondContact O-N 2.86Å |
| 1352 | S | 36.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | trans | -66.8 | 103.2 | 176.8 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | H1350 S1354 | H1350-S1352 PolarHBondContact O-N 2.65Å; S1352-S1354 PolarHBondContact O-N 2.97Å |
| 1353 | K | 29.5 | Very low | 34.6 | Very low | 215 Ų | 215 | 150.8 Ų | 150.8 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | | | trans | -78 | 78.4 | -179.9 | -174.1 | -173.5 | 174.9 | -177.5 | 0 | 111.8 | W1351 | W1351-K1353 PolarHBondContact O-N 2.86Š|
| 1354 | S | 32.7 | Very low | 34.5 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -147.7 | 148.5 | 158.5 | 65.4 | 0 | 0 | 0 | 0 | 109 | S1352 | S1352-S1354 PolarHBondContact O-N 2.97Š|
| 1355 | G | 32.2 | Very low | 34.2 | Very low | 79 Ų | 79 | 150.5 Ų | 150.5 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | | | trans | -128 | 156.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1356 | N | 32.9 | Very low | 33.8 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -144 | 148.8 | 133.5 | -161.6 | -1 | 0 | 0 | 0 | 108.8 | | |
| 1357 | T | 34 | Very low | 33.4 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | | | trans | -81.6 | 138.6 | 172.8 | 41.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1358 | R | 31.9 | Very low | 33.1 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | 9.3 | 138.1 | 141.7 | -27.2 | 175.6 | -168.8 | 136.8 | 3.9 | 115.6 | | |
| 1359 | N | 36.5 | Very low | 32.9 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | | | cis | -154.6 | 176.6 | 41.7 | -53.7 | -84.7 | 0 | 0 | 0 | 108.8 | | |
| 1360 | F | 40.4 | Very low | 32.6 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | cis | -153 | 152.7 | 21.6 | -89 | -76.2 | 0 | 0 | 0 | 112.6 | | |
| 1361 | R | 32.4 | Very low | 32.8 | Very low | 239 Ų | 239 | 145.1 Ų | 145.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | 64.5 | 127.5 | 145.9 | -149.6 | 170.7 | -163.7 | 160.7 | 4 | 121.8 | | |
| 1362 | P | 31.9 | Very low | 32.9 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | trans | -107.4 | -167.7 | 166.5 | 43.4 | -35.5 | 0 | 0 | 0 | 111.8 | | |
| 1363 | P | 36.3 | Very low | 32.8 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | | | cis | -125.9 | -168.1 | -35.8 | 28 | -6.6 | 0 | 0 | 0 | 112.1 | | |
| 1364 | V | 31.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | | | | 153.6 | 110.2 | 129.1 | 166.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1365 | T | 28.2 | Very low | 33.3 | Very low | 116 Ų | 116 | 141 Ų | 141 | 71% | 0.712 | 78% | 0.784 | S | S | * | * | | | trans | 16.7 | 144 | 152.2 | 68.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 1366 | S | 29.8 | Very low | 33.4 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | 74.7 | 146.1 | 143 | -64.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1367 | S | 28 | Very low | 33.3 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | cis | -161.1 | 145.9 | -20.4 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1368 | S | 29.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 144.8 Ų | 144.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | 22.1 | 121.6 | 156.4 | 57.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1369 | R | 31.6 | Very low | 33.1 | Very low | 248 Ų | 248 | 142.1 Ų | 142.1 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | | | trans | -145.1 | 158.6 | 137.8 | -157.7 | 167.3 | -178.9 | -156.6 | -2.3 | 111.9 | | |
| 1370 | S | 31.1 | Very low | 32.8 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -83.9 | 167.1 | -158.6 | -44.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1371 | P | 38.7 | Very low | 32.4 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | | | trans | -102.9 | 153.1 | -168.3 | 38.8 | -34.6 | 0 | 0 | 0 | 116.6 | | |
| 1372 | I | 35.6 | Very low | 32.3 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | | | trans | -144.8 | 147.2 | 160.2 | -65.3 | 97.4 | 0 | 0 | 0 | 104.8 | | |
| 1373 | G | 33.2 | Very low | 32.5 | Very low | 58 Ų | 58 | 128.6 Ų | 128.6 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | | | cis | 157.2 | 157.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1374 | K | 37.5 | Very low | 32.4 | Very low | 208 Ų | 208 | 130.2 Ų | 130.2 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | trans | 70.5 | 165.5 | -178.9 | -50.2 | 177.6 | -179.5 | -179.5 | 0 | 116.1 | | |
| 1375 | V | 36.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | cis | -159.8 | 151.9 | -39.6 | 146.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1376 | G | 33.5 | Very low | 32.7 | Very low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | | | trans | 108.7 | 111.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1377 | K | 31.2 | Very low | 33 | Very low | 193 Ų | 193 | 136.3 Ų | 136.3 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | | 72.3 | 102.8 | 64.1 | -64.1 | -151.1 | 175.5 | -176.4 | 0 | 112.4 | | |
| 1378 | H | 29.7 | Very low | 33.1 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | | 75 | 140.2 | 85.8 | -75 | -62.1 | 0 | 0 | 0 | 112.3 | | |
| 1379 | I | 31.6 | Very low | 33.2 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | cis | -158.2 | 157.9 | 3.8 | -101 | 154.5 | 0 | 0 | 0 | 105.8 | | |
| 1380 | G | 30.1 | Very low | 33.6 | Very low | 60 Ų | 60 | 137.5 Ų | 137.5 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | | | cis | 162.2 | 171 | -1.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1381 | A | 33.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | 59.5 | 127.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1382 | S | 30 | Very low | 33.6 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | cis | 74 | 162.2 | 7.2 | -144 | 0 | 0 | 0 | 0 | 118 | | |
| 1383 | T | 35.1 | Very low | 33.6 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | | | trans | 62.4 | 142.9 | -174.9 | 34.7 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1384 | D | 35.4 | Very low | 33.8 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | | | cis | -114.6 | 148.8 | -2.6 | -74.5 | -52.7 | 0 | 0 | 0 | 111.3 | | |
| 1385 | H | 33.1 | Very low | 33.7 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | | | cis | 94.8 | 120.4 | 12.7 | -129.9 | 69.5 | 0 | 0 | 0 | 117.5 | | |
| 1386 | H | 33.7 | Very low | 33.8 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 65% | 0.648 | 71% | 0.708 | S | S | * | * | | | trans | -31.3 | 152.8 | -176.9 | -52.2 | -87.8 | 0 | 0 | 0 | 120 | | |
| 1387 | H | 34.2 | Very low | 33.8 | Very low | 192 Ų | 192 | 136.6 Ų | 136.6 | 89% | 0.889 | 71% | 0.713 | S | S | * | * | | | | -140.1 | 143 | 124.7 | -119.6 | 63.4 | 0 | 0 | 0 | 115.1 | | |
| 1388 | H | 30.3 | Very low | 34.2 | Very low | 149 Ų | 149 | 135 Ų | 135 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | | | trans | -101.7 | 146.8 | 165.8 | -93.4 | -82.8 | 0 | 0 | 0 | 109.4 | | |
| 1389 | Q | 31.8 | Very low | 34.7 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | | | trans | 47.1 | 107.6 | 146.2 | -63.8 | -175.2 | -26.9 | 0 | 0 | 120.1 | | |
| 1390 | N | 40.2 | Very low | 34.7 | Very low | 164 Ų | 164 | 136 Ų | 136 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | | | | -99.5 | 145.4 | 123.2 | -60.9 | -57.8 | 0 | 0 | 0 | 106.5 | | |
| 1391 | A | 32.7 | Very low | 35.1 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | | | cis | 82.4 | 123.8 | 16.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1392 | R | 38.5 | Very low | 35.4 | Very low | 234 Ų | 234 | 141.2 Ų | 141.2 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | | | trans | 77.1 | 150.9 | 171.1 | -52.6 | -176.3 | 177 | -168.9 | -0.9 | 115.8 | | |
| 1393 | K | 35.6 | Very low | 35.4 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 43% | 0.43 | 71% | 0.709 | S | S | . | * | | | cis | -165.1 | -163.4 | -23 | -114.9 | 164.4 | 154.2 | -117.3 | 0 | 110.2 | E420 E421 S422 | E420-K1393 WeakPolarHBondContact O-CE 3.24Å; E421-K1393 WeakPolarHBondContact O-CB 3.42Å; E421-K1393 WeakPolarHBondContact O-CD 3.46Å; E421-K1393 VanDerWaalsContact O-CE 3.3Å; E421-K1393 WeakPolarHBondContact O-CE 3.26Å; E421-K1393 WeakPolarHBondContact O-CG 3.41Å; E421-K1393 PolarHBondContact O-NZ 2.9Å; E421-K1393 WeakPolarHBondContact OE1-CE 3.34Å; E421-K1393 IonicContact OE1-NZ 3.52Å; E421-K1393 PolarHBondContact OE1-NZ 2.88Å; S422-K1393 PolarHBondContact OG-NZ 3.07Å |
| 1394 | K | 36.4 | Very low | 35.6 | Very low | 55 Ų | 55 | 140 Ų | 140 | 24% | 0.239 | 72% | 0.716 | C | S | . | * | | | trans | -65.5 | 128.2 | -164 | -97.9 | -164.5 | 178.5 | 165.5 | 0 | 118.2 | G419 E420 S422 E423 | G419-K1394 WeakPolarHBondContact O-CG 3.35Å; E420-K1394 VanDerWaalsContact CD-CE 3.41Å; E420-K1394 VanDerWaalsContact OE1-CE 3.31Å; E420-K1394 WeakPolarHBondContact OE1-CE 3.38Å; E420-K1394 IonicContact OE1-NZ 3.66Å; E420-K1394 PolarHBondContact OE1-NZ 2.96Å; E420-K1394 WeakPolarHBondContact OE2-CE 3.37Å; E420-K1394 IonicContact OE2-NZ 3.28Å; E420-K1394 PolarHBondContact OE2-NZ 3.37Å; S422-K1394 WeakPolarHBondContact O-CB 3.49Å; S422-K1394 PolarHBondContact O-N 3.41Å; S422-K1394 VanDerWaalsContact O-N 3.16Å; E423-K1394 PolarHBondContact N-O 2.64Å |
| 1395 | Q | 34.9 | Very low | 36 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | | | | 65.4 | 124.4 | 108.5 | -154.6 | 166.9 | 22.7 | 0 | 0 | 122.3 | | |
| 1396 | T | 38.5 | Very low | 36 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | trans | 64.1 | 98.1 | 154.2 | 49.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1397 | D | 34.3 | Very low | 36.1 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | | | | 38 | 111.7 | 105.8 | -48.5 | -30.1 | 0 | 0 | 0 | 120.2 | | |
| 1398 | I | 39 | Very low | 36.2 | Very low | 161 Ų | 161 | 141 Ų | 141 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | | | | -129.6 | 133.8 | 125.9 | -65.6 | -174.5 | 0 | 0 | 0 | 107.6 | | |
| 1399 | V | 39.5 | Very low | 36.2 | Very low | 109 Ų | 109 | 143 Ų | 143 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | | | trans | -103.1 | 143 | 175.3 | 170 | 0 | 0 | 0 | 0 | 109.7 | E1401 | V1399-E1401 HydrophobicContact CG1-CG 4.03Š|
| 1400 | W | 32.3 | Very low | 36.4 | Very low | 237 Ų | 237 | 141.3 Ų | 141.3 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | | | trans | -126.7 | 118.7 | 154.1 | -90.2 | 103.2 | 0 | 0 | 0 | 110.3 | | |
| 1401 | E | 37.4 | Very low | 35.9 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | | | trans | -87.6 | -153.9 | 158.5 | -46.5 | -166.4 | 143.3 | 0 | 0 | 108.2 | V1399 | V1399-E1401 HydrophobicContact CG1-CG 4.03Š|
| 1402 | P | 40.9 | Very low | 35.9 | Very low | 109 Ų | 109 | 142 Ų | 142 | 71% | 0.708 | 73% | 0.725 | S | S | * | * | | | cis | -130.3 | 171.7 | -21.7 | 24.3 | -1.3 | 0 | 0 | 0 | 114.1 | | |
| 1403 | G | 30.2 | Very low | 35.7 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | | | trans | -179.6 | 83.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1404 | P | 38.7 | Very low | 35.4 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | | | trans | -78 | 138.4 | -180 | 31.5 | -34.1 | 0 | 0 | 0 | 112.5 | | |
| 1405 | K | 43.3 | Very low | 35.2 | Very low | 215 Ų | 215 | 146.6 Ų | 146.6 | 94% | 0.935 | 77% | 0.768 | S | S | * | * | | | trans | -118.8 | 142.3 | 159.8 | -73.9 | -176.3 | 179.2 | 175.7 | 0 | 109.5 | | |
| 1406 | S | 33.4 | Very low | 34.9 | Very low | 94 Ų | 94 | 146.4 Ų | 146.4 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | | | trans | -125.7 | 175.1 | -157.7 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1407 | I | 36.1 | Very low | 34.7 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | | | trans | 75.4 | 134.4 | 172.3 | -48.9 | 148.4 | 0 | 0 | 0 | 110.4 | | |
| 1408 | K | 35.4 | Very low | 34.4 | Very low | 194 Ų | 194 | 147.8 Ų | 147.8 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | cis | -151.9 | 166.6 | 37.3 | -148.5 | 157.8 | -174.4 | 176.7 | 0 | 113.7 | | |
| 1409 | K | 31.5 | Very low | 34 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | -44.6 | 176 | 176.8 | -64.8 | 178.6 | 170.2 | -176.8 | 0 | 118.1 | | |
| 1410 | V | 34.9 | Very low | 33.5 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | 94.6 | 98.2 | 171.2 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1411 | N | 29.6 | Very low | 33.4 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | | | cis | 68.9 | 88 | 47.2 | -169.6 | 67.2 | 0 | 0 | 0 | 114.7 | | |
| 1412 | N | 33.8 | Very low | 33.3 | Very low | 125 Ų | 125 | 137 Ų | 137 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | | | | -167.7 | 147.9 | 120.6 | -98.5 | -12.9 | 0 | 0 | 0 | 112.3 | | |
| 1413 | N | 33.3 | Very low | 33 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | 54.8 | 83.2 | 147.5 | -57.7 | -0.6 | 0 | 0 | 0 | 119 | | |
| 1414 | Y | 30.2 | Very low | 33.2 | Very low | 235 Ų | 235 | 140.5 Ų | 140.5 | 92% | 0.922 | 75% | 0.751 | S | S | * | * | | | | 16.9 | 111.1 | 129.6 | -61.2 | -84.5 | 0 | 0 | 0 | 117.9 | | |
| 1415 | S | 31.2 | Very low | 33 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -115.7 | 147 | 145.7 | -169.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1416 | T | 30.3 | Very low | 32.6 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | | | trans | -71.7 | 138.9 | -169.2 | 35.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1417 | K | 33.7 | Very low | 32.7 | Very low | 208 Ų | 208 | 142.4 Ų | 142.4 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | | | trans | -131.3 | 132.1 | 153.1 | -77.7 | -159.4 | 172.8 | -165.9 | 0 | 109.7 | | |
| 1418 | V | 27.6 | Very low | 32.6 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 42% | 0.418 | 75% | 0.749 | S | S | . | * | | | trans | -92.2 | 133.8 | 165.2 | -67.3 | 0 | 0 | 0 | 0 | 107.7 | T404 E405 | T404-V1418 HydrophobicContact CG2-CB 3.69Å; T404-V1418 HydrophobicContact CG2-CG1 3.64Å; E405-V1418 HydrophobicContact CG-CG2 4.04Å |
| 1419 | S | 29.9 | Very low | 32.3 | Very low | 84 Ų | 84 | 139 Ų | 139 | 59% | 0.587 | 75% | 0.745 | S | S | * | * | | | trans | -165.6 | 153.9 | 149.7 | -161.4 | 0 | 0 | 0 | 0 | 111.7 | E405 S406 | E405-S1419 CarbonylContact O-C 3.48Å; E405-S1419 WeakPolarHBondContact O-CA 3.42Å; E405-S1419 WeakPolarHBondContact O-CB 3.41Å; E405-S1419 PolarHBondContact O-OG 2.81Å; S406-S1419 PolarHBondContact OG-OG 3.16Å |
| 1420 | S | 30.1 | Very low | 32.3 | Very low | 38 Ų | 38 | 135.3 Ų | 135.3 | 27% | 0.266 | 74% | 0.739 | S | S | . | * | | | trans | -87.5 | 170.8 | -159.3 | 112.7 | 0 | 0 | 0 | 0 | 116.3 | T404 E405 S406 | T404-S1420 WeakPolarHBondContact O-CB 3.3Å; E405-S1420 PolarHBondContact O-N 3.17Å; S406-S1420 VanDerWaalsContact CB-OG 3.23Å; S406-S1420 WeakPolarHBondContact CB-OG 3.4Å; S406-S1420 WeakPolarHBondContact OG-CA 3.46Å; S406-S1420 WeakPolarHBondContact OG-CB 3.34Å; S406-S1420 PolarHBondContact OG-N 3.31Å; S406-S1420 PolarHBondContact OG-O 3.31Å; S406-S1420 PolarHBondContact OG-OG 3.06Å |
| 1421 | S | 31.2 | Very low | 32 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | | | trans | -153.6 | 89.2 | 150.7 | -80.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1422 | K | 33.6 | Very low | 32.1 | Very low | 200 Ų | 200 | 132.8 Ų | 132.8 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | | | trans | -176.8 | 144 | 143.1 | -103.8 | 153.5 | -172.2 | 172.3 | 0 | 114.6 | | |
| 1423 | A | 35.1 | Very low | 32.1 | Very low | 86 Ų | 86 | 134.9 Ų | 134.9 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | trans | 2.5 | 140.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1424 | L | 35.1 | Very low | 31.9 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 88% | 0.88 | 74% | 0.735 | S | S | * | * | | | | -147.8 | 131.2 | 51.6 | -78.6 | 159.7 | 0 | 0 | 0 | 114.5 | | |
| 1425 | L | 34.2 | Very low | 32.1 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | | | trans | -100.1 | 119.2 | 156.2 | -90.7 | 167.7 | 0 | 0 | 0 | 109.6 | | |
| 1426 | K | 34.8 | Very low | 32.1 | Very low | 202 Ų | 202 | 130.4 Ų | 130.4 | 88% | 0.878 | 71% | 0.705 | S | S | * | * | | | trans | -155.2 | 123.2 | 153 | -153.6 | 152.4 | -171.7 | 169 | 0 | 112.2 | | |
| 1427 | T | 35.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 69% | 0.686 | S | S | * | * | | | trans | -66.9 | 147.6 | -171.3 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1428 | P | 33.8 | Very low | 32.5 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | | | trans | -75.8 | 156.9 | 164.2 | 34.8 | -35.2 | 0 | 0 | 0 | 111.4 | | |
| 1429 | E | 29.3 | Very low | 32.8 | Very low | 162 Ų | 162 | 126 Ų | 126 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | | | | 160.4 | 123.2 | 124.1 | -87.7 | -100.7 | 110.7 | 0 | 0 | 112.1 | | |
| 1430 | T | 30.8 | Very low | 33 | Very low | 115 Ų | 115 | 128.5 Ų | 128.5 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | | | trans | 58.5 | 131.4 | 159.1 | 71.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1431 | T | 29.7 | Very low | 33.1 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | | | | 172.3 | 108.2 | 109.6 | -77.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1432 | S | 31.1 | Very low | 33.3 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | | | trans | 64 | 110.2 | 137.2 | 178.9 | 0 | 0 | 0 | 0 | 123 | | |
| 1433 | R | 33 | Very low | 33.1 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 64% | 0.642 | 69% | 0.685 | S | S | * | * | | | | 67.1 | 126.5 | 127.4 | -58.5 | 174.6 | -173.4 | -162.6 | -3.4 | 120.7 | D15 | D15-R1433 IonicContact OD1-CZ 3.71Å; D15-R1433 VanDerWaalsContact OD1-CZ 3.3Å; D15-R1433 IonicContact OD1-NH1 2.7Å; D15-R1433 PolarHBondContact OD1-NH1 3.28Å; D15-R1433 IonicContact OD1-NH2 2.65Å; D15-R1433 PolarHBondContact OD1-NH2 3.13Å; D15-R1433 IonicContact OD2-NH1 2.73Å |
| 1434 | R | 29.6 | Very low | 32.9 | Very low | 212 Ų | 212 | 137 Ų | 137 | 80% | 0.8 | 69% | 0.69 | S | S | * | * | | | | 71.2 | 134.5 | 121.5 | -165.4 | -175.9 | -157.8 | 139 | 3.8 | 118 | | |
| 1435 | A | 33.7 | Very low | 32.8 | Very low | 52 Ų | 52 | 134 Ų | 134 | 43% | 0.43 | 68% | 0.684 | S | S | . | * | | | cis | -166.2 | 167.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 111 | R783 | R783-A1435 PolarHBondContact NH2-O 3.43Š|
| 1436 | D | 33.1 | Very low | 32.7 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 66% | 0.663 | 68% | 0.676 | S | S | * | * | | | trans | 16.5 | 133.9 | 149.8 | -37.2 | -36.7 | 0 | 0 | 0 | 119.4 | R783 | R783-D1436 PolarHBondContact NH2-O 3.34Š|
| 1437 | H | 35.8 | Very low | 32.6 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 43% | 0.431 | 68% | 0.679 | S | S | . | * | | | trans | -157.1 | 159.4 | 132.1 | -119.4 | -97.1 | 0 | 0 | 0 | 110.5 | R783 S785 | R783-H1437 HydrophobicContact CG-CB 3.75Å; R783-H1437 PolarHBondContact NH1-CD2 2.88Å; S785-H1437 WeakPolarHBondContact CA-O 3.15Å; S785-H1437 PolarHBondContact N-O 2.76Å |
| 1438 | H | 35 | Very low | 32.5 | Very low | 64 Ų | 64 | 133.6 Ų | 133.6 | 30% | 0.296 | 68% | 0.676 | S | S | . | * | | | trans | -131.9 | 155 | -155.4 | -143.9 | -60.4 | 0 | 0 | 0 | 110.8 | N787 | N787-H1438 PolarHBondContact ND2-NE2 2.81Š|
| 1439 | Y | 33.5 | Very low | 32.4 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | | | trans | 70.7 | 105.8 | 168.4 | -58.6 | -72.7 | 0 | 0 | 0 | 118.9 | S784 S785 | S784-Y1439 WeakPolarHBondContact CB-O 3.23Å; S785-Y1439 PolarHBondContact OG-N 3.34Å |
| 1440 | H | 34.7 | Very low | 32.7 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 63% | 0.634 | 69% | 0.686 | S | S | * | * | | | | -120.7 | 140.4 | 125.2 | -109.9 | 41.5 | 0 | 0 | 0 | 108 | | |
| 1441 | S | 33.2 | Very low | 32.9 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | | | trans | -123.4 | 123 | 173.8 | 170.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 1442 | Q | 34.1 | Very low | 33 | Very low | 158 Ų | 158 | 136 Ų | 136 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | | | trans | 49.8 | 112.5 | 170.1 | -50.5 | -59.5 | 7.7 | 0 | 0 | 117.5 | | |
| 1443 | H | 30.5 | Very low | 33.3 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | | | | -138.7 | 136.5 | 126.4 | -128.3 | -76.7 | 0 | 0 | 0 | 108.9 | | |
| 1444 | E | 30.5 | Very low | 33.3 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | | | trans | -76.5 | 157 | -178 | -64.9 | 156.4 | 117.1 | 0 | 0 | 111.4 | | |
| 1445 | S | 33.7 | Very low | 33.7 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | | | trans | -135.6 | 115.5 | 174.1 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1446 | S | 30.7 | Very low | 33.6 | Very low | 86 Ų | 86 | 136.5 Ų | 136.5 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | | | trans | 52.1 | 89.5 | 153.4 | 60.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1447 | R | 34.2 | Very low | 33.6 | Very low | 249 Ų | 249 | 135.7 Ų | 135.7 | 94% | 0.94 | 72% | 0.72 | S | S | * | * | | | | -145.5 | 83.9 | 125 | -65.7 | -167.3 | -178.9 | 164.4 | 0.4 | 106.7 | | |
| 1448 | D | 32.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | | | | 65.4 | 111.1 | 77.5 | -61.7 | -46.1 | 0 | 0 | 0 | 113.7 | | |
| 1449 | S | 31.7 | Very low | 33.2 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | 58.5 | 116.6 | 156 | -54.8 | 0 | 0 | 0 | 0 | 120 | | |
| 1450 | E | 35.7 | Very low | 33 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | | | | -165.5 | -177.4 | 97.1 | -107.5 | -174.3 | 130.8 | 0 | 0 | 113.7 | | |
| 1451 | S | 34.9 | Very low | 32.8 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | | | trans | -74.8 | 151.9 | -152.7 | 54.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1452 | H | 32.3 | Very low | 32.7 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | | | trans | -29.1 | 145.9 | 149.6 | -61.2 | -95.4 | 0 | 0 | 0 | 115.8 | | |
| 1453 | N | 35.9 | Very low | 32.9 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | | -136.7 | 144.9 | 122.4 | -99.6 | -35.6 | 0 | 0 | 0 | 108.9 | | |
| 1454 | S | 33.3 | Very low | 33 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | | | trans | -117.3 | 98.3 | -174.8 | -62.2 | 0 | 0 | 0 | 0 | 110 | | |
| 1455 | D | 38.8 | Very low | 33.1 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -101.9 | 138.2 | 164.3 | -83 | -54 | 0 | 0 | 0 | 110.1 | | |
| 1456 | S | 30.7 | Very low | 33.1 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -134 | 165.2 | -175.4 | -70 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1457 | S | 34.9 | Very low | 33.2 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | 86.2 | 121.9 | 154.2 | -51.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1458 | S | 33.3 | Very low | 33.2 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | 83.9 | 157.3 | 132.2 | -62 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1459 | S | 28.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | trans | -125.1 | 168.4 | -165.1 | -45.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1460 | S | 29 | Very low | 33.3 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | trans | 76.1 | 175 | 151.7 | 81 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1461 | S | 31.8 | Very low | 33.1 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | 65.9 | 134.7 | -161.3 | 69.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1462 | V | 30.9 | Very low | 33 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | | | cis | 76.1 | 94.4 | 20.1 | -168.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1463 | F | 36.8 | Very low | 33 | Very low | 275 Ų | 275 | 135.3 Ų | 135.3 | 100% | 1.206 | 82% | 0.82 | S | S | * | * | | | | -145 | 0 | 116 | -118.7 | -78 | 0 | 0 | 0 | 110.1 | | |