| 1 | M | 39 | Very low | 37 | Very low | 237 Ų | 237 | 152.5 Ų | 152.5 | 100% | 1.167 | 81% | 0.805 | S | S | * | * | | | | 0 | 100.4 | 0 | -61.5 | 139.1 | 82.9 | 0 | 0 | 105.5 | | |
| 2 | S | 34.8 | Very low | 37.8 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | | 64.3 | 115.3 | 56 | -162.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 3 | N | 38.2 | Very low | 37.6 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 67% | 0.674 | 79% | 0.79 | S | S | * | * | | | cis | -157.3 | 144.1 | -7.4 | -120.4 | -26.2 | 0 | 0 | 0 | 112.7 | | |
| 4 | K | 39.7 | Very low | 37.4 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | 35.2 | 126.8 | 146.5 | -63.2 | 170.3 | -174.6 | -176.6 | 0 | 120.9 | | |
| 5 | S | 38.4 | Very low | 37.2 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -83.1 | 167.1 | 156.9 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 6 | T | 35.8 | Very low | 37.5 | Very low | 117 Ų | 117 | 145.4 Ų | 145.4 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | 49.6 | 98.7 | 149.3 | 52.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 7 | V | 36.4 | Very low | 37.2 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | | | trans | -121.3 | 137.6 | 140 | 174 | 0 | 0 | 0 | 0 | 107 | | |
| 8 | W | 39.3 | Very low | 37.4 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 75% | 0.75 | 78% | 0.784 | S | S | * | * | | | trans | -81.3 | 148.1 | 178.9 | -72.3 | 57.6 | 0 | 0 | 0 | 110.8 | I10 | W8-I10 HydrophobicContact CE3-CD1 4.17Å; W8-I10 HydrophobicContact CE3-CG1 4.46Å; W8-I10 HydrophobicContact CZ3-CD1 3.98Å |
| 9 | N | 32.3 | Very low | 37.5 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | | -159.2 | 141.4 | 126.8 | -97.5 | -31.5 | 0 | 0 | 0 | 109.6 | | |
| 10 | I | 34.8 | Very low | 37.7 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 70% | 0.697 | 78% | 0.781 | S | S | * | * | | | trans | -98 | 126.8 | 179.1 | -68.6 | 170 | 0 | 0 | 0 | 108.2 | W8 | W8-I10 HydrophobicContact CE3-CD1 4.17Å; W8-I10 HydrophobicContact CE3-CG1 4.46Å; W8-I10 HydrophobicContact CZ3-CD1 3.98Å |
| 11 | L | 38.2 | Very low | 37.8 | Very low | 157 Ų | 157 | 145.6 Ų | 145.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -111.6 | 139.1 | 157.8 | -176.2 | 66.4 | 0 | 0 | 0 | 106.6 | | |
| 12 | P | 47 | Very low | 38.1 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | | | | -131.3 | 133.8 | 123.3 | 36.2 | -29.2 | 0 | 0 | 0 | 112.9 | | |
| 13 | E | 34.3 | Very low | 38.6 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | | 44.9 | 100.2 | 128.7 | -58.4 | 175.7 | 144.6 | 0 | 0 | 118.8 | | |
| 14 | N | 34.9 | Very low | 39.5 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | | 32 | 108.8 | 115.8 | 178.2 | 24.6 | 0 | 0 | 0 | 117.3 | | |
| 15 | S | 34.4 | Very low | 40.4 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -145.2 | 135.2 | 139.8 | -77.1 | 0 | 0 | 0 | 0 | 109.3 | E17 | S15-E17 PolarHBondContact O-N 3.35Š|
| 16 | T | 42.9 | Very low | 41.3 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -56.4 | 121.5 | -173.7 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 17 | E | 31.4 | Very low | 42.7 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -104.4 | 134.2 | 163.6 | -167.8 | 159.6 | -139.1 | 0 | 0 | 109.4 | S15 | S15-E17 PolarHBondContact O-N 3.35Š|
| 18 | I | 41.4 | Very low | 44.6 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 68% | 0.677 | 73% | 0.73 | S | S | * | * | | | trans | -93.8 | 145.6 | -174.3 | -60.7 | 166.6 | 0 | 0 | 0 | 107.7 | L20 | I18-L20 PolarHBondContact O-N 2.84Å; I18-L20 VanDerWaalsContact O-N 3.11Å |
| 19 | P | 39.1 | Very low | 46.6 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | | | trans | -57.4 | 119.2 | 171.5 | -21.6 | 33 | 0 | 0 | 0 | 110.3 | E21 | P19-E21 PolarHBondContact O-N 3.36Å; P19-E21 VanDerWaalsContact O-N 3.13Å |
| 20 | L | 40.8 | Very low | 49.3 | Very low | 153 Ų | 153 | 131 Ų | 131 | 80% | 0.801 | 71% | 0.709 | S | S | * | * | | | trans | -74.1 | 101.6 | 166.6 | -82.5 | 91.1 | 0 | 0 | 0 | 108.4 | I18 | I18-L20 PolarHBondContact O-N 2.84Å; I18-L20 VanDerWaalsContact O-N 3.11Å |
| 21 | E | 40.2 | Very low | 51.9 | Low | 162 Ų | 162 | 129.7 Ų | 129.7 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | | | trans | -50.2 | 138.3 | 154.6 | -73.8 | -68.5 | 115.4 | 0 | 0 | 109.3 | P19 E23 | P19-E21 PolarHBondContact O-N 3.36Å; P19-E21 VanDerWaalsContact O-N 3.13Å; E21-E23 PolarHBondContact O-N 3.14Å |
| 22 | P | 44.9 | Very low | 54.4 | Low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 69% | 0.688 | S | S | * | * | | | trans | -68.5 | 114.4 | 173.8 | 28.5 | -32.4 | 0 | 0 | 0 | 109.5 | E24 | P22-E24 VanDerWaalsContact C-N 3.33Å; P22-E24 PolarHBondContact O-N 3.49Å |
| 23 | E | 46.9 | Very low | 56.6 | Low | 170 Ų | 170 | 128.1 Ų | 128.1 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | | | trans | -67.6 | 89 | 173.6 | -171.7 | -177.2 | -173.8 | 0 | 0 | 110 | E21 Q25 | E21-E23 PolarHBondContact O-N 3.14Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.49Å |
| 24 | E | 56.4 | Low | 59.5 | Low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 68% | 0.675 | S | S | * | * | | | trans | -64.1 | 90.8 | 171 | -69.9 | -163.2 | 140.5 | 0 | 0 | 110 | P22 P26 | P22-E24 VanDerWaalsContact C-N 3.33Å; P22-E24 PolarHBondContact O-N 3.49Å; E24-P26 WeakPolarHBondContact O-CD 3.43Å; E24-P26 VanDerWaalsContact O-N 3.09Å |
| 25 | Q | 57.6 | Low | 62.3 | Low | 141 Ų | 141 | 122 Ų | 122 | 66% | 0.659 | 66% | 0.664 | S | S | * | * | | | trans | -59.4 | 111.1 | -179.7 | -71.4 | -168.8 | -28.6 | 0 | 0 | 111.4 | E23 D27 | E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.49Å; Q25-D27 VanDerWaalsContact C-N 3.25Å; Q25-D27 PolarHBondContact O-N 3.33Å |
| 26 | P | 59 | Low | 65.2 | Low | 87 Ų | 87 | 121.2 Ų | 121.2 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -21 | -175.1 | 30.5 | -35.5 | 0 | 0 | 0 | 112.6 | E24 G28 H29 V30 | E24-P26 WeakPolarHBondContact O-CD 3.43Å; E24-P26 VanDerWaalsContact O-N 3.09Å; P26-G28 VanDerWaalsContact C-N 3.26Å; P26-G28 PolarHBondContact O-N 3.11Å; P26-H29 PolarHBondContact O-N 3.01Å; P26-H29 VanDerWaalsContact O-N 3.12Å; P26-V30 PolarHBondContact O-N 2.94Å |
| 27 | D | 63.8 | Low | 67.7 | Low | 116 Ų | 116 | 118 Ų | 118 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.7 | -30.7 | -170.7 | -65.6 | -17.7 | 0 | 0 | 0 | 113.8 | Q25 H29 V30 L31 | Q25-D27 VanDerWaalsContact C-N 3.25Å; Q25-D27 PolarHBondContact O-N 3.33Å; D27-H29 VanDerWaalsContact C-N 3.33Å; D27-H29 PolarHBondContact O-N 2.65Å; D27-V30 PolarHBondContact O-N 2.96Å; D27-L31 PolarHBondContact O-N 3.44Å |
| 28 | G | 76.9 | Confident | 70.8 | Confident | 48 Ų | 48 | 112.7 Ų | 112.7 | 50% | 0.495 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P26 L32 | P26-G28 VanDerWaalsContact C-N 3.26Å; P26-G28 PolarHBondContact O-N 3.11Å; G28-L32 WeakPolarHBondContact O-CB 3.43Å; G28-L32 PolarHBondContact O-N 3.24Å; G28-L32 VanDerWaalsContact O-N 3.07Å |
| 29 | H | 81.4 | Confident | 73.4 | Confident | 144 Ų | 144 | 113.5 Ų | 113.5 | 67% | 0.667 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73.2 | -36.6 | 177.2 | -68.5 | -75.9 | 0 | 0 | 0 | 112 | P26 D27 L32 L33 | P26-H29 PolarHBondContact O-N 3.01Å; P26-H29 VanDerWaalsContact O-N 3.12Å; D27-H29 VanDerWaalsContact C-N 3.33Å; D27-H29 PolarHBondContact O-N 2.65Å; H29-L32 PolarHBondContact O-N 3.19Å; H29-L33 WeakPolarHBondContact O-CB 3.43Å; H29-L33 PolarHBondContact O-N 3.24Å |
| 30 | V | 88.7 | Confident | 76.1 | Confident | 87 Ų | 87 | 113.4 Ų | 113.4 | 53% | 0.527 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63 | -46.1 | 175 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | P26 D27 L32 L33 V34 | P26-V30 PolarHBondContact O-N 2.94Å; D27-V30 PolarHBondContact O-N 2.96Å; V30-L32 PolarHBondContact O-N 3.4Å; V30-L33 PolarHBondContact O-N 2.95Å; V30-V34 WeakPolarHBondContact O-CG2 3.45Å; V30-V34 PolarHBondContact O-N 2.84Å |
| 31 | L | 89.4 | Confident | 78.9 | Confident | 108 Ų | 108 | 110.3 Ų | 110.3 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.1 | -42.3 | 177 | -178.9 | 60 | 0 | 0 | 0 | 111.9 | D27 L33 V34 I35 | D27-L31 PolarHBondContact O-N 3.44Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 3.33Å; L31-V34 PolarHBondContact O-N 3.4Å; L31-I35 HydrophobicContact CD1-CD1 4.16Å; L31-I35 HydrophobicContact CD1-CG1 4.45Å; L31-I35 HydrophobicContact CG-CD1 4.01Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 2.96Å; L31-I35 PolarHBondContact O-N 3.25Å |
| 32 | L | 90.7 | Very high | 81.6 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.1 | -42.3 | 175.8 | -172.1 | 69 | 0 | 0 | 0 | 111.6 | G28 H29 V30 I35 L36 | G28-L32 WeakPolarHBondContact O-CB 3.43Å; G28-L32 PolarHBondContact O-N 3.24Å; G28-L32 VanDerWaalsContact O-N 3.07Å; H29-L32 PolarHBondContact O-N 3.19Å; V30-L32 PolarHBondContact O-N 3.4Å; L32-I35 PolarHBondContact O-N 2.91Å; L32-L36 HydrophobicContact CG-CD1 4.08Å; L32-L36 WeakPolarHBondContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 2.96Å |
| 33 | L | 92.8 | Very high | 84.1 | Confident | 123 Ų | 123 | 101.3 Ų | 101.3 | 64% | 0.644 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 177.6 | -164.1 | 74.4 | 0 | 0 | 0 | 111.8 | H29 V30 L31 L36 S37 | H29-L33 WeakPolarHBondContact O-CB 3.43Å; H29-L33 PolarHBondContact O-N 3.24Å; V30-L33 PolarHBondContact O-N 2.95Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L33 PolarHBondContact O-N 3.33Å; L33-L36 PolarHBondContact O-N 2.87Å; L33-S37 WeakPolarHBondContact O-CB 3.12Å; L33-S37 PolarHBondContact O-N 3.1Å |
| 34 | V | 95.4 | Very high | 86.5 | Confident | 83 Ų | 83 | 98.2 Ų | 98.2 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.2 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | V30 L31 L36 S37 A38 | V30-V34 WeakPolarHBondContact O-CG2 3.45Å; V30-V34 PolarHBondContact O-N 2.84Å; L31-V34 PolarHBondContact O-N 3.4Å; V34-L36 PolarHBondContact O-N 3.4Å; V34-S37 PolarHBondContact O-N 3.26Å; V34-S37 PolarHBondContact O-OG 3.01Å; V34-A38 PolarHBondContact O-N 3.34Å |
| 35 | I | 94.6 | Very high | 88.4 | Confident | 100 Ų | 100 | 93.8 Ų | 93.8 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 177.9 | -68.4 | 165.5 | 0 | 0 | 0 | 111.1 | L31 L32 A38 F39 | L31-I35 HydrophobicContact CD1-CD1 4.16Å; L31-I35 HydrophobicContact CD1-CG1 4.45Å; L31-I35 HydrophobicContact CG-CD1 4.01Å; L31-I35 VanDerWaalsContact O-CG1 3.31Å; L31-I35 WeakPolarHBondContact O-CG1 2.96Å; L31-I35 PolarHBondContact O-N 3.25Å; L32-I35 PolarHBondContact O-N 2.91Å; I35-A38 PolarHBondContact O-N 2.87Å; I35-F39 PolarHBondContact O-N 2.89Å |
| 36 | L | 95.6 | Very high | 90.3 | Very high | 97 Ų | 97 | 90.7 Ų | 90.7 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 175.3 | -76.2 | 166.9 | 0 | 0 | 0 | 111.8 | L32 L33 V34 A38 F39 L40 | L32-L36 HydrophobicContact CG-CD1 4.08Å; L32-L36 WeakPolarHBondContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CG 3.24Å; L32-L36 PolarHBondContact O-N 2.96Å; L33-L36 PolarHBondContact O-N 2.87Å; V34-L36 PolarHBondContact O-N 3.4Å; L36-A38 PolarHBondContact O-N 2.91Å; L36-F39 PolarHBondContact O-N 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 PolarHBondContact O-N 3.24Å |
| 37 | S | 94.4 | Very high | 92.1 | Very high | 61 Ų | 61 | 91 Ų | 91 | 43% | 0.427 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 176.8 | 77.5 | 0 | 0 | 0 | 0 | 112.3 | L33 V34 F39 L40 V41 | L33-S37 WeakPolarHBondContact O-CB 3.12Å; L33-S37 PolarHBondContact O-N 3.1Å; V34-S37 PolarHBondContact O-N 3.26Å; V34-S37 PolarHBondContact O-OG 3.01Å; S37-F39 VanDerWaalsContact C-N 3.34Å; S37-F39 PolarHBondContact O-N 3.23Å; S37-L40 PolarHBondContact O-N 3.41Å; S37-V41 WeakPolarHBondContact O-CB 3.42Å; S37-V41 WeakPolarHBondContact O-CG2 3.36Å; S37-V41 PolarHBondContact O-N 3.44Å |
| 38 | A | 96.2 | Very high | 93.6 | Very high | 63 Ų | 63 | 88.4 Ų | 88.4 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | V34 I35 L36 G42 | V34-A38 PolarHBondContact O-N 3.34Å; I35-A38 PolarHBondContact O-N 2.87Å; L36-A38 PolarHBondContact O-N 2.91Å; A38-G42 PolarHBondContact O-N 2.87Å |
| 39 | F | 96.6 | Very high | 94.6 | Very high | 149 Ų | 149 | 90.1 Ų | 90.1 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.6 | -41 | 173.8 | -169.5 | -97.8 | 0 | 0 | 0 | 112.3 | I35 L36 S37 G42 T43 | I35-F39 PolarHBondContact O-N 2.89Å; L36-F39 PolarHBondContact O-N 3.3Å; S37-F39 VanDerWaalsContact C-N 3.34Å; S37-F39 PolarHBondContact O-N 3.23Å; F39-G42 PolarHBondContact O-N 3.18Å; F39-T43 HydrophobicContact CD1-CG2 4.12Å; F39-T43 HydrophobicContact CE1-CG2 3.74Å; F39-T43 HydrophobicContact CE2-CG2 4.39Å; F39-T43 HydrophobicContact CZ-CG2 3.89Å; F39-T43 WeakPolarHBondContact O-CB 3.19Å; F39-T43 WeakPolarHBondContact O-CG2 3.5Å; F39-T43 PolarHBondContact O-N 2.84Å; F39-T43 PolarHBondContact O-OG1 3.09Å |
| 40 | L | 96.9 | Very high | 95.3 | Very high | 109 Ų | 109 | 89.7 Ų | 89.7 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -46.3 | 176.4 | -162 | 87.4 | 0 | 0 | 0 | 111.6 | L36 S37 T43 L44 | L36-L40 WeakPolarHBondContact O-CB 3.48Å; L36-L40 PolarHBondContact O-N 3.24Å; S37-L40 PolarHBondContact O-N 3.41Å; L40-T43 WeakPolarHBondContact CA-OG1 3.43Å; L40-T43 PolarHBondContact O-N 3.04Å; L40-T43 PolarHBondContact O-OG1 3.45Å; L40-L44 HydrophobicContact CD2-CD1 4.44Å; L40-L44 HydrophobicContact CG-CD1 4.29Å; L40-L44 WeakPolarHBondContact O-CB 3.32Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.32Å |
| 41 | V | 97.7 | Very high | 95.6 | Very high | 87 Ų | 87 | 90 Ų | 90 | 53% | 0.527 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 175.5 | 173 | 0 | 0 | 0 | 0 | 110.8 | S37 T43 L44 V45 | S37-V41 WeakPolarHBondContact O-CB 3.42Å; S37-V41 WeakPolarHBondContact O-CG2 3.36Å; S37-V41 PolarHBondContact O-N 3.44Å; V41-T43 PolarHBondContact O-N 3.32Å; V41-L44 PolarHBondContact O-N 2.88Å; V41-V45 HydrophobicContact CG1-CG2 4.41Å; V41-V45 WeakPolarHBondContact O-CB 3.28Å; V41-V45 VanDerWaalsContact O-CG2 3.31Å; V41-V45 WeakPolarHBondContact O-CG2 3.38Å; V41-V45 PolarHBondContact O-N 2.72Å |
| 42 | G | 97.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 88.7 Ų | 88.7 | 34% | 0.34 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A38 F39 S46 | A38-G42 PolarHBondContact O-N 2.87Å; F39-G42 PolarHBondContact O-N 3.18Å; G42-S46 WeakPolarHBondContact O-CB 3.18Å; G42-S46 PolarHBondContact O-N 3.06Å; G42-S46 PolarHBondContact O-OG 3.06Å |
| 43 | T | 97.1 | Very high | 96 | Very high | 47 Ų | 47 | 87.8 Ų | 87.8 | 29% | 0.288 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.6 | -42.4 | 175.2 | 47.9 | 0 | 0 | 0 | 0 | 112 | F39 L40 V41 V45 S46 I47 | F39-T43 HydrophobicContact CD1-CG2 4.12Å; F39-T43 HydrophobicContact CE1-CG2 3.74Å; F39-T43 HydrophobicContact CE2-CG2 4.39Å; F39-T43 HydrophobicContact CZ-CG2 3.89Å; F39-T43 WeakPolarHBondContact O-CB 3.19Å; F39-T43 WeakPolarHBondContact O-CG2 3.5Å; F39-T43 PolarHBondContact O-N 2.84Å; F39-T43 PolarHBondContact O-OG1 3.09Å; L40-T43 WeakPolarHBondContact CA-OG1 3.43Å; L40-T43 PolarHBondContact O-N 3.04Å; L40-T43 PolarHBondContact O-OG1 3.45Å; V41-T43 PolarHBondContact O-N 3.32Å; T43-V45 PolarHBondContact O-N 2.93Å; T43-S46 WeakPolarHBondContact O-CB 3.42Å; T43-S46 PolarHBondContact O-N 2.7Å; T43-I47 WeakPolarHBondContact O-CB 3.46Å; T43-I47 VanDerWaalsContact O-CG1 3.25Å; T43-I47 WeakPolarHBondContact O-CG1 3.45Å; T43-I47 PolarHBondContact O-N 3.28Å |
| 44 | L | 97.5 | Very high | 95.8 | Very high | 105 Ų | 105 | 83.8 Ų | 83.8 | 55% | 0.55 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 173.4 | -76 | 167.6 | 0 | 0 | 0 | 112.6 | L40 V41 I47 S48 | L40-L44 HydrophobicContact CD2-CD1 4.44Å; L40-L44 HydrophobicContact CG-CD1 4.29Å; L40-L44 WeakPolarHBondContact O-CB 3.32Å; L40-L44 VanDerWaalsContact O-CG 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.32Å; V41-L44 PolarHBondContact O-N 2.88Å; L44-I47 PolarHBondContact O-N 3.46Å; L44-S48 VanDerWaalsContact O-CB 3.31Å; L44-S48 WeakPolarHBondContact O-CB 3.41Å; L44-S48 PolarHBondContact O-N 2.85Å |
| 45 | V | 97.6 | Very high | 95.4 | Very high | 85 Ų | 85 | 89 Ų | 89 | 52% | 0.515 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 173.8 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | V41 T43 S48 V49 | V41-V45 HydrophobicContact CG1-CG2 4.41Å; V41-V45 WeakPolarHBondContact O-CB 3.28Å; V41-V45 VanDerWaalsContact O-CG2 3.31Å; V41-V45 WeakPolarHBondContact O-CG2 3.38Å; V41-V45 PolarHBondContact O-N 2.72Å; T43-V45 PolarHBondContact O-N 2.93Å; V45-S48 PolarHBondContact O-N 3.07Å; V45-V49 HydrophobicContact CG1-CG2 4.49Å; V45-V49 WeakPolarHBondContact O-CG2 3.43Å; V45-V49 PolarHBondContact O-N 3.18Å |
| 46 | S | 96.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 93 Ų | 93 | 54% | 0.538 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 177.6 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | G42 T43 V49 F50 | G42-S46 WeakPolarHBondContact O-CB 3.18Å; G42-S46 PolarHBondContact O-N 3.06Å; G42-S46 PolarHBondContact O-OG 3.06Å; T43-S46 WeakPolarHBondContact O-CB 3.42Å; T43-S46 PolarHBondContact O-N 2.7Å; S46-V49 PolarHBondContact O-N 2.96Å; S46-F50 VanDerWaalsContact O-CB 3.29Å; S46-F50 WeakPolarHBondContact O-CB 3.42Å; S46-F50 PolarHBondContact O-N 2.93Å |
| 47 | I | 97 | Very high | 94 | Very high | 94 Ų | 94 | 92.1 Ų | 92.1 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 174.8 | -68.7 | 162.8 | 0 | 0 | 0 | 110.3 | T43 L44 F50 L51 | T43-I47 WeakPolarHBondContact O-CB 3.46Å; T43-I47 VanDerWaalsContact O-CG1 3.25Å; T43-I47 WeakPolarHBondContact O-CG1 3.45Å; T43-I47 PolarHBondContact O-N 3.28Å; L44-I47 PolarHBondContact O-N 3.46Å; I47-F50 PolarHBondContact O-N 3.25Å; I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.28Å; I47-L51 WeakPolarHBondContact O-CB 3.5Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.98Å |
| 48 | S | 96.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 93.4 Ų | 93.4 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 176 | -176.7 | 0 | 0 | 0 | 0 | 112 | L44 V45 F50 L51 I52 | L44-S48 VanDerWaalsContact O-CB 3.31Å; L44-S48 WeakPolarHBondContact O-CB 3.41Å; L44-S48 PolarHBondContact O-N 2.85Å; V45-S48 PolarHBondContact O-N 3.07Å; S48-F50 PolarHBondContact O-N 3.34Å; S48-L51 PolarHBondContact O-N 3.37Å; S48-I52 WeakPolarHBondContact O-CB 3.39Å; S48-I52 WeakPolarHBondContact O-CD1 3.37Å; S48-I52 VanDerWaalsContact O-CG1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.19Å; S48-I52 PolarHBondContact O-N 3.21Å |
| 49 | V | 96.8 | Very high | 91.1 | Very high | 83 Ų | 83 | 96 Ų | 96 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 174.6 | 171.5 | 0 | 0 | 0 | 0 | 111 | V45 S46 I52 V53 | V45-V49 HydrophobicContact CG1-CG2 4.49Å; V45-V49 WeakPolarHBondContact O-CG2 3.43Å; V45-V49 PolarHBondContact O-N 3.18Å; S46-V49 PolarHBondContact O-N 2.96Å; V49-I52 PolarHBondContact O-N 3.43Å; V49-V53 HydrophobicContact CG1-CG2 4.47Å; V49-V53 WeakPolarHBondContact O-CG2 3.3Å; V49-V53 PolarHBondContact O-N 3.11Å |
| 50 | F | 96.2 | Very high | 89.1 | Confident | 136 Ų | 136 | 99.8 Ų | 99.8 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.8 | -47.6 | 175.8 | -178 | -103.2 | 0 | 0 | 0 | 111.5 | S46 I47 S48 I52 V53 C54 | S46-F50 VanDerWaalsContact O-CB 3.29Å; S46-F50 WeakPolarHBondContact O-CB 3.42Å; S46-F50 PolarHBondContact O-N 2.93Å; I47-F50 PolarHBondContact O-N 3.25Å; S48-F50 PolarHBondContact O-N 3.34Å; F50-I52 VanDerWaalsContact C-N 3.33Å; F50-I52 PolarHBondContact O-N 3.48Å; F50-V53 CarbonylContact O-C 3.58Å; F50-V53 PolarHBondContact O-N 3.32Å; F50-V53 VanDerWaalsContact O-N 3.16Å; F50-C54 VanDerWaalsContact CE1-SG 3.53Å; F50-C54 VanDerWaalsContact CZ-SG 3.51Å; F50-C54 WeakPolarHBondContact O-CB 3.31Å; F50-C54 PolarHBondContact O-N 3.1Å; F50-C54 PolarHBondContact O-SG 3.22Å; F50-C54 VanDerWaalsContact O-SG 3.34Å |
| 51 | L | 94.8 | Very high | 86.9 | Confident | 92 Ų | 92 | 96.5 Ų | 96.5 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 176.4 | -71.4 | 172.6 | 0 | 0 | 0 | 112.7 | I47 S48 R55 | I47-L51 HydrophobicContact CG2-CD1 3.86Å; I47-L51 HydrophobicContact CG2-CG 4.28Å; I47-L51 WeakPolarHBondContact O-CB 3.5Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.31Å; I47-L51 PolarHBondContact O-N 2.98Å; S48-L51 PolarHBondContact O-N 3.37Å; L51-R55 VanDerWaalsContact O-CB 3.32Å; L51-R55 WeakPolarHBondContact O-CB 3.31Å; L51-R55 WeakPolarHBondContact O-CG 3.34Å; L51-R55 PolarHBondContact O-N 3.04Å |
| 52 | I | 94.5 | Very high | 84.6 | Confident | 82 Ų | 82 | 95.2 Ų | 95.2 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.1 | -38.7 | 173.7 | -70.4 | 163.8 | 0 | 0 | 0 | 111.3 | S48 V49 F50 R56 | S48-I52 WeakPolarHBondContact O-CB 3.39Å; S48-I52 WeakPolarHBondContact O-CD1 3.37Å; S48-I52 VanDerWaalsContact O-CG1 3.23Å; S48-I52 WeakPolarHBondContact O-CG1 3.19Å; S48-I52 PolarHBondContact O-N 3.21Å; V49-I52 PolarHBondContact O-N 3.43Å; F50-I52 VanDerWaalsContact C-N 3.33Å; F50-I52 PolarHBondContact O-N 3.48Å; I52-R56 VanDerWaalsContact CG2-NH1 3.3Å; I52-R56 WeakPolarHBondContact O-CB 3.39Å; I52-R56 WeakPolarHBondContact O-CG 3.45Å; I52-R56 PolarHBondContact O-N 3.13Å |
| 53 | V | 93.8 | Very high | 82.3 | Confident | 76 Ų | 76 | 104.7 Ų | 104.7 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.3 | -48.1 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 110.4 | V49 F50 R55 R56 C57 | V49-V53 HydrophobicContact CG1-CG2 4.47Å; V49-V53 WeakPolarHBondContact O-CG2 3.3Å; V49-V53 PolarHBondContact O-N 3.11Å; F50-V53 CarbonylContact O-C 3.58Å; F50-V53 PolarHBondContact O-N 3.32Å; F50-V53 VanDerWaalsContact O-N 3.16Å; V53-R55 PolarHBondContact O-N 2.75Å; V53-R56 CarbonylContact O-C 3.51Å; V53-R56 WeakPolarHBondContact O-CA 3.47Å; V53-R56 WeakPolarHBondContact O-CB 3.34Å; V53-R56 PolarHBondContact O-N 2.89Å; V53-R56 VanDerWaalsContact O-N 3.08Å; V53-C57 WeakPolarHBondContact O-CB 3.31Å; V53-C57 PolarHBondContact O-N 3.34Å; V53-C57 PolarHBondContact O-SG 3.2Å; V53-C57 VanDerWaalsContact O-SG 3.34Å |
| 54 | C | 89 | Confident | 80.1 | Confident | 39 Ų | 39 | 110 Ų | 110 | 26% | 0.264 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -57.9 | -47.1 | 174.6 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | F50 R56 C57 C58 | F50-C54 VanDerWaalsContact CE1-SG 3.53Å; F50-C54 VanDerWaalsContact CZ-SG 3.51Å; F50-C54 WeakPolarHBondContact O-CB 3.31Å; F50-C54 PolarHBondContact O-N 3.1Å; F50-C54 PolarHBondContact O-SG 3.22Å; F50-C54 VanDerWaalsContact O-SG 3.34Å; C54-R56 VanDerWaalsContact C-N 3.33Å; C54-R56 PolarHBondContact O-N 3.18Å; C54-C57 PolarHBondContact O-N 3.27Å; C54-C57 VanDerWaalsContact O-N 3.16Å; C54-C58 WeakPolarHBondContact O-CB 3.43Å; C54-C58 PolarHBondContact O-N 3.41Å; C54-C58 PolarHBondContact O-SG 3.38Å |
| 55 | R | 87 | Confident | 77.7 | Confident | 194 Ų | 194 | 110.3 Ų | 110.3 | 73% | 0.732 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -59.3 | -42 | 172.9 | -77 | -177.2 | 176.2 | -153 | -2.2 | 111.7 | L51 V53 C57 C59 | L51-R55 VanDerWaalsContact O-CB 3.32Å; L51-R55 WeakPolarHBondContact O-CB 3.31Å; L51-R55 WeakPolarHBondContact O-CG 3.34Å; L51-R55 PolarHBondContact O-N 3.04Å; V53-R55 PolarHBondContact O-N 2.75Å; R55-C57 PolarHBondContact O-N 3.31Å; R55-C59 WeakPolarHBondContact O-CB 3.25Å; R55-C59 PolarHBondContact O-N 2.86Å; R55-C59 PolarHBondContact O-SG 3.16Å |
| 56 | R | 84.1 | Confident | 75.2 | Confident | 183 Ų | 183 | 113.4 Ų | 113.4 | 69% | 0.691 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.8 | -32.6 | 175 | -81.8 | -177.3 | 156.8 | 98.2 | -0.4 | 114 | I52 V53 C54 R60 | I52-R56 VanDerWaalsContact CG2-NH1 3.3Å; I52-R56 WeakPolarHBondContact O-CB 3.39Å; I52-R56 WeakPolarHBondContact O-CG 3.45Å; I52-R56 PolarHBondContact O-N 3.13Å; V53-R56 CarbonylContact O-C 3.51Å; V53-R56 WeakPolarHBondContact O-CA 3.47Å; V53-R56 WeakPolarHBondContact O-CB 3.34Å; V53-R56 PolarHBondContact O-N 2.89Å; V53-R56 VanDerWaalsContact O-N 3.08Å; C54-R56 VanDerWaalsContact C-N 3.33Å; C54-R56 PolarHBondContact O-N 3.18Å; R56-R60 WeakPolarHBondContact O-CB 3.44Å |
| 57 | C | 76.4 | Confident | 72.9 | Confident | 79 Ų | 79 | 121 Ų | 121 | 53% | 0.534 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -76.3 | -49.8 | 175.7 | -70 | 0 | 0 | 0 | 0 | 111.3 | V53 C54 R55 R60 G61 | V53-C57 WeakPolarHBondContact O-CB 3.31Å; V53-C57 PolarHBondContact O-N 3.34Å; V53-C57 PolarHBondContact O-SG 3.2Å; V53-C57 VanDerWaalsContact O-SG 3.34Å; C54-C57 PolarHBondContact O-N 3.27Å; C54-C57 VanDerWaalsContact O-N 3.16Å; R55-C57 PolarHBondContact O-N 3.31Å; C57-R60 CarbonylContact O-C 3.47Å; C57-R60 WeakPolarHBondContact O-CA 3.37Å; C57-R60 PolarHBondContact O-N 3.32Å; C57-G61 PolarHBondContact O-N 2.95Å |
| 58 | C | 69.6 | Low | 70.4 | Confident | 88 Ų | 88 | 121.1 Ų | 121.1 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.4 | -43.6 | 179 | -62.5 | 0 | 0 | 0 | 0 | 112 | C54 R60 G61 G62 | C54-C58 WeakPolarHBondContact O-CB 3.43Å; C54-C58 PolarHBondContact O-N 3.41Å; C54-C58 PolarHBondContact O-SG 3.38Å; C58-R60 PolarHBondContact O-N 3.29Å; C58-R60 VanDerWaalsContact O-N 3.08Å; C58-G61 PolarHBondContact O-N 3.38Å; C58-G61 VanDerWaalsContact O-N 3.15Å; C58-G62 WeakPolarHBondContact O-CA 3.34Å; C58-G62 PolarHBondContact O-N 2.98Å |
| 59 | C | 59.4 | Low | 68.2 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.3 | -9.3 | 172.9 | -64.1 | 0 | 0 | 0 | 0 | 113.9 | R55 | R55-C59 WeakPolarHBondContact O-CB 3.25Å; R55-C59 PolarHBondContact O-N 2.86Å; R55-C59 PolarHBondContact O-SG 3.16Å |
| 60 | R | 55.6 | Low | 65.4 | Low | 229 Ų | 229 | 128.9 Ų | 128.9 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -103.6 | -24.7 | 172.5 | -165 | 174.9 | -175.5 | -169.6 | -0.4 | 113.1 | R56 C57 C58 | R56-R60 WeakPolarHBondContact O-CB 3.44Å; C57-R60 CarbonylContact O-C 3.47Å; C57-R60 WeakPolarHBondContact O-CA 3.37Å; C57-R60 PolarHBondContact O-N 3.32Å; C58-R60 PolarHBondContact O-N 3.29Å; C58-R60 VanDerWaalsContact O-N 3.08Å |
| 61 | G | 50.3 | Low | 62.5 | Low | 40 Ų | 40 | 129.2 Ų | 129.2 | 41% | 0.412 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -98 | -11.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C57 C58 R63 | C57-G61 PolarHBondContact O-N 2.95Å; C58-G61 PolarHBondContact O-N 3.38Å; C58-G61 VanDerWaalsContact O-N 3.15Å; G61-R63 PolarHBondContact O-N 3.35Å |
| 62 | G | 50.2 | Low | 60.5 | Low | 59 Ų | 59 | 130.4 Ų | 130.4 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 58.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C58 | C58-G62 WeakPolarHBondContact O-CA 3.34Å; C58-G62 PolarHBondContact O-N 2.98Å |
| 63 | R | 49.5 | Very low | 58 | Low | 232 Ų | 232 | 134.9 Ų | 134.9 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.9 | 12.4 | 171.4 | -152.2 | -176.8 | -69.1 | -89.5 | 0.9 | 111.9 | G61 | G61-R63 PolarHBondContact O-N 3.35Š|
| 64 | L | 50.8 | Low | 55.5 | Low | 160 Ų | 160 | 140.4 Ų | 140.4 | 84% | 0.838 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -138.2 | -1.4 | -173.1 | -72.6 | 175.3 | 0 | 0 | 0 | 115 | | |
| 65 | C | 47.7 | Very low | 53 | Low | 111 Ų | 111 | 144.1 Ų | 144.1 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -124.7 | 19.8 | -171.1 | -60.8 | 0 | 0 | 0 | 0 | 115 | | |
| 66 | D | 43.6 | Very low | 50.5 | Low | 150 Ų | 150 | 140 Ų | 140 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | trans | -111.7 | 58.6 | 173.1 | -63.4 | -58.4 | 0 | 0 | 0 | 110.8 | | |
| 67 | R | 48.4 | Very low | 48.4 | Very low | 236 Ų | 236 | 137 Ų | 137 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | | | trans | -158.5 | 43.6 | 172.4 | -143.9 | 179.1 | -172.9 | 83.2 | 4.2 | 116.2 | | |
| 68 | A | 44 | Very low | 46.1 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -162.9 | 137 | 160.9 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 69 | D | 51 | Low | 44.4 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | cis | -152.9 | 128.1 | -1.6 | -170.2 | 30.4 | 0 | 0 | 0 | 107.7 | | |
| 70 | D | 37.6 | Very low | 43 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -163.5 | 98.8 | -178.8 | -104.2 | -45.1 | 0 | 0 | 0 | 109.5 | | |
| 71 | D | 35.9 | Very low | 41.8 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | | | trans | -135.3 | 79.9 | 172.4 | -176.2 | 19 | 0 | 0 | 0 | 109.8 | E73 | D71-E73 VanDerWaalsContact C-N 3.31Å; D71-E73 PolarHBondContact O-N 3.29Å |
| 72 | P | 51.3 | Low | 40.9 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | -88.4 | 28.8 | -169.1 | 36 | -36.8 | 0 | 0 | 0 | 114.6 | | |
| 73 | E | 43.3 | Very low | 39.7 | Very low | 177 Ų | 177 | 154 Ų | 154 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | | | trans | -109.8 | 59.7 | -179.6 | -72.3 | -163.7 | -168.7 | 0 | 0 | 114.3 | D71 | D71-E73 VanDerWaalsContact C-N 3.31Å; D71-E73 PolarHBondContact O-N 3.29Å |
| 74 | K | 41.6 | Very low | 39.4 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | | | trans | -152.2 | 136.8 | 161.8 | -142 | 171.8 | -176.2 | 172.7 | 0 | 117 | | |
| 75 | T | 36.3 | Very low | 38.3 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | | | trans | 79.4 | 70.1 | 162.4 | -22.9 | 0 | 0 | 0 | 0 | 116.8 | P77 | T75-P77 WeakPolarHBondContact O-CD 3.44Š|
| 76 | A | 33 | Very low | 37.8 | Very low | 106 Ų | 106 | 146 Ų | 146 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | | | trans | -89 | 117.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 77 | P | 41.3 | Very low | 37 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -93.8 | 131.1 | 169.9 | 33.9 | -29.1 | 0 | 0 | 0 | 111 | T75 | T75-P77 WeakPolarHBondContact O-CD 3.44Š|
| 78 | Y | 28.3 | Very low | 36.1 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | | | trans | -142.9 | 154.8 | 173.4 | -178.9 | -120.9 | 0 | 0 | 0 | 108.1 | | |
| 79 | M | 33.2 | Very low | 35.3 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 57% | 0.571 | 79% | 0.786 | S | S | * | * | | | trans | 71.9 | 145.5 | -175.5 | -43.3 | -81.2 | 55.6 | 0 | 0 | 115.1 | | |
| 80 | E | 29.8 | Very low | 34.4 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | cis | -155.5 | 167.7 | -30.1 | -157.9 | 166.9 | 152.6 | 0 | 0 | 108.1 | | |
| 81 | E | 31.6 | Very low | 33.8 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | -90.1 | 130.7 | -171.1 | -174.9 | 171.1 | -179.6 | 0 | 0 | 113.4 | | |
| 82 | S | 30 | Very low | 33.6 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -168.1 | 150.8 | 154.6 | 26.9 | 0 | 0 | 0 | 0 | 113 | | |
| 83 | Q | 25.8 | Very low | 32.5 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | -147.7 | 175.4 | -176.5 | -109 | -162.8 | 38 | 0 | 0 | 108.2 | | |
| 84 | P | 43.7 | Very low | 31.7 | Very low | 86 Ų | 86 | 148.5 Ų | 148.5 | 56% | 0.558 | 78% | 0.783 | S | S | * | * | | | cis | -139 | 176.7 | -16.8 | 32.4 | -12.4 | 0 | 0 | 0 | 115.2 | | |
| 85 | T | 26.2 | Very low | 31.2 | Very low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | 62.6 | 165.7 | 148.6 | 49.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 86 | P | 38.8 | Very low | 30.8 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | | -132.5 | -172.6 | -52 | 40.1 | -24.3 | 0 | 0 | 0 | 111.7 | | |
| 87 | E | 25.3 | Very low | 30.6 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | 154.3 | 162.1 | 138.2 | -168.8 | 149.6 | -133.9 | 0 | 0 | 111.5 | | |
| 88 | I | 29.7 | Very low | 30 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -115.6 | 131.1 | -165.5 | -61.6 | 165.8 | 0 | 0 | 0 | 110.4 | | |
| 89 | T | 27.7 | Very low | 30 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -123.3 | 92.3 | -177.7 | -44.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 90 | I | 32.1 | Very low | 29.6 | Very low | 160 Ų | 160 | 145 Ų | 145 | 82% | 0.821 | 78% | 0.781 | S | S | * | * | | | trans | -143.6 | 93 | 155.6 | -52.1 | -179.7 | 0 | 0 | 0 | 111 | | |
| 91 | K | 25.2 | Very low | 29.6 | Very low | 189 Ų | 189 | 141.8 Ų | 141.8 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -152.9 | 131.5 | 139.3 | -71 | -150.9 | 177.7 | -174 | 0 | 105.3 | | |
| 92 | L | 32.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 138 Ų | 138 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | | 75.2 | 147.7 | 60.4 | -162.7 | 141.4 | 0 | 0 | 0 | 111.5 | | |
| 93 | D | 27.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | trans | 68.5 | 122.3 | -149.9 | -64.2 | 3.1 | 0 | 0 | 0 | 112.1 | | |
| 94 | E | 27.1 | Very low | 29.4 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | cis | 93.3 | 107.9 | 41.5 | -72.7 | -167.6 | -158.4 | 0 | 0 | 113.8 | | |
| 95 | S | 30.1 | Very low | 28.8 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | 72.3 | 133.3 | 137.1 | -51.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 96 | D | 29.4 | Very low | 29 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | 80.3 | 144.8 | 139.3 | -72.9 | -14.2 | 0 | 0 | 0 | 124.4 | | |
| 97 | C | 27.8 | Very low | 28.6 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 70% | 0.703 | 78% | 0.775 | S | S | * | * | | | trans | 74.4 | 90.8 | 151.3 | -72 | 0 | 0 | 0 | 0 | 122.4 | | |
| 98 | L | 28.4 | Very low | 29.1 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | | 60.1 | 121.8 | 109.1 | -67.2 | 170.7 | 0 | 0 | 0 | 121.7 | | |
| 99 | S | 29.2 | Very low | 29.5 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | | 89.2 | 132.9 | 127.2 | -67.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 100 | M | 24.3 | Very low | 29.9 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 84% | 0.842 | 74% | 0.738 | S | S | * | * | | | trans | 68 | 100.9 | 139.6 | -69.7 | -178.8 | 62 | 0 | 0 | 122.3 | | |
| 101 | A | 29.1 | Very low | 30 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | | | | 26.7 | 117 | 118.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 102 | S | 28.2 | Very low | 30.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | | | trans | -157.2 | 113.1 | 146.4 | -176.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 103 | S | 28.9 | Very low | 30.6 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | | | | 77.2 | 109.5 | 68.7 | 95.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 104 | H | 27.3 | Very low | 30.9 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | | | trans | -142.2 | 138.8 | 151.9 | -167.9 | 66 | 0 | 0 | 0 | 107.6 | | |
| 105 | N | 30.6 | Very low | 31.1 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | trans | -159.5 | 127.5 | -166.1 | 173.2 | 35.1 | 0 | 0 | 0 | 109.7 | | |
| 106 | Q | 31.4 | Very low | 31.9 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | | | trans | -153.7 | 109.3 | 168.6 | -169.2 | 143.3 | 41.7 | 0 | 0 | 111.6 | | |
| 107 | E | 30.4 | Very low | 32 | Very low | 143 Ų | 143 | 129 Ų | 129 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | | | trans | 51.9 | 147.3 | 134.9 | -60.5 | -179.5 | 102.6 | 0 | 0 | 120.3 | | |
| 108 | T | 34.7 | Very low | 32.2 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 60% | 0.595 | 74% | 0.737 | S | S | * | * | | | cis | -158.7 | 172.5 | 18.5 | -14.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 109 | E | 37.6 | Very low | 32.6 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 51% | 0.505 | 74% | 0.743 | S | S | . | * | | | trans | 58.9 | 116.2 | 170.9 | -50.1 | -44.6 | 127.3 | 0 | 0 | 117.4 | | |
| 110 | R | 37.2 | Very low | 33.1 | Very low | 169 Ų | 169 | 138.4 Ų | 138.4 | 64% | 0.638 | 75% | 0.753 | S | S | * | * | | | | 62 | 130.7 | 54.7 | -47.1 | 177.6 | -148.3 | 119.5 | 7.5 | 111.8 | | |
| 111 | F | 34.5 | Very low | 33.8 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | | | cis | -156.3 | 155.8 | 32.7 | -81.8 | -84 | 0 | 0 | 0 | 114.4 | | |
| 112 | L | 38 | Very low | 34.3 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | trans | 58 | 113.9 | 146.7 | -63.1 | 168.9 | 0 | 0 | 0 | 120.1 | | |
| 113 | S | 32.2 | Very low | 34.7 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | | | | 84.4 | 138.1 | 79.6 | -65.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 114 | T | 31.6 | Very low | 35 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | cis | -157.9 | 170.3 | 3.8 | 4.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 115 | G | 31.8 | Very low | 35.9 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | trans | -78.5 | -145 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 116 | P | 46.8 | Very low | 36.5 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | cis | -145.5 | -165 | 16.9 | 42.3 | -20.8 | 0 | 0 | 0 | 116.6 | | |
| 117 | T | 31.1 | Very low | 37.1 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | | | trans | 85.4 | 135 | 164.2 | -30.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 118 | G | 32.3 | Very low | 37.6 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | | | trans | -154 | -175 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 119 | R | 37 | Very low | 38.1 | Very low | 249 Ų | 249 | 141 Ų | 141 | 94% | 0.94 | 76% | 0.763 | S | S | * | * | | | trans | -148.2 | 132 | 172 | -155.4 | 170.2 | -171.5 | 162.4 | 2 | 111 | | |
| 120 | R | 41.1 | Very low | 38.4 | Very low | 237 Ų | 237 | 141.5 Ų | 141.5 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | | | trans | -73 | 135.6 | 173.1 | -71.3 | 168.8 | 151.6 | -164.1 | -7 | 110.5 | | |
| 121 | V | 37.3 | Very low | 38.7 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | | | trans | -140.3 | 108 | 136.3 | -170.1 | 0 | 0 | 0 | 0 | 108 | F123 | V121-F123 HydrophobicContact CB-CE2 4.21Å; V121-F123 HydrophobicContact CG1-CD2 3.84Å; V121-F123 HydrophobicContact CG1-CE1 4.31Å; V121-F123 HydrophobicContact CG1-CE2 3.4Å; V121-F123 VanDerWaalsContact CG1-CE2 3.4Å; V121-F123 HydrophobicContact CG1-CG 4.47Å; V121-F123 HydrophobicContact CG1-CZ 3.67Å |
| 122 | S | 41 | Very low | 39.1 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -88.2 | 114.2 | 167 | 50.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 123 | F | 35.3 | Very low | 39.6 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | -83 | 137 | 168.7 | -77.9 | -76.3 | 0 | 0 | 0 | 110.1 | V121 | V121-F123 HydrophobicContact CB-CE2 4.21Å; V121-F123 HydrophobicContact CG1-CD2 3.84Å; V121-F123 HydrophobicContact CG1-CE1 4.31Å; V121-F123 HydrophobicContact CG1-CE2 3.4Å; V121-F123 VanDerWaalsContact CG1-CE2 3.4Å; V121-F123 HydrophobicContact CG1-CG 4.47Å; V121-F123 HydrophobicContact CG1-CZ 3.67Å |
| 124 | N | 36.8 | Very low | 40.4 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | | | trans | -93.2 | 114.3 | -168.6 | -179.9 | 18 | 0 | 0 | 0 | 110.5 | A126 | N124-A126 PolarHBondContact O-N 3.49Å; N124-A126 WeakPolarHBondContact OD1-CB 3.4Å; N124-A126 PolarHBondContact OD1-N 3.31Å |
| 125 | E | 44.7 | Very low | 41 | Very low | 192 Ų | 192 | 144.7 Ų | 144.7 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -74.3 | -4.1 | -177.7 | -157.1 | 163.3 | -144.5 | 0 | 0 | 113.5 | A127 | E125-A127 VanDerWaalsContact C-N 3.27Å; E125-A127 PolarHBondContact O-N 3.38Å |
| 126 | A | 42.9 | Very low | 41.5 | Very low | 77 Ų | 77 | 149.8 Ų | 149.8 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -80.2 | 8.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | N124 | N124-A126 PolarHBondContact O-N 3.49Å; N124-A126 WeakPolarHBondContact OD1-CB 3.4Å; N124-A126 PolarHBondContact OD1-N 3.31Å |
| 127 | A | 44 | Very low | 41 | Very low | 90 Ų | 90 | 150.7 Ų | 150.7 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -99.3 | 4.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E125 | E125-A127 VanDerWaalsContact C-N 3.27Å; E125-A127 PolarHBondContact O-N 3.38Å |
| 128 | L | 41.4 | Very low | 41.8 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -122.3 | 12.1 | -175.4 | -125.2 | 159.5 | 0 | 0 | 0 | 113.8 | | |
| 129 | F | 45.5 | Very low | 42.9 | Very low | 193 Ų | 193 | 152.7 Ų | 152.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -126.1 | 25.9 | -168.4 | -129.8 | -79.9 | 0 | 0 | 0 | 116 | | |
| 130 | D | 44.7 | Very low | 43.5 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -146.1 | 59.9 | 173.8 | -132.4 | -4.9 | 0 | 0 | 0 | 116 | K133 | D130-K133 IonicContact OD1-NZ 3.42Å; D130-K133 PolarHBondContact OD1-NZ 3.12Å |
| 131 | H | 43.1 | Very low | 44.4 | Very low | 207 Ų | 207 | 149.3 Ų | 149.3 | 96% | 0.958 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -146.7 | 66.7 | 155.1 | -90.4 | -45.1 | 0 | 0 | 0 | 111.3 | | |
| 132 | G | 42.3 | Very low | 45.5 | Very low | 74 Ų | 74 | 154.6 Ų | 154.6 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | | | trans | -140.1 | 11.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 133 | K | 49.5 | Very low | 46.7 | Very low | 166 Ų | 166 | 155 Ų | 155 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | -112.5 | 74.4 | -171.1 | -65.7 | 170.6 | -171.1 | 134.9 | 0 | 113 | D130 | D130-K133 IonicContact OD1-NZ 3.42Å; D130-K133 PolarHBondContact OD1-NZ 3.12Å |
| 134 | K | 48.2 | Very low | 48.2 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -171.7 | 127.4 | 154.1 | -101.4 | 143.9 | -171.3 | 177.1 | 0 | 111.5 | | |
| 135 | T | 44.2 | Very low | 49.7 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | | | trans | 44.5 | 108.6 | 162.5 | 49.1 | 0 | 0 | 0 | 0 | 119.2 | E137 | T135-E137 PolarHBondContact O-N 3.19Å; T135-E137 VanDerWaalsContact O-N 3.12Å |
| 136 | Q | 43.4 | Very low | 50.7 | Low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | -67.6 | 92.3 | 172 | -177.7 | -170.9 | 53.7 | 0 | 0 | 112.6 | K138 | Q136-K138 PolarHBondContact O-N 2.97Š|
| 137 | E | 36.1 | Very low | 51.9 | Low | 138 Ų | 138 | 146 Ų | 146 | 65% | 0.645 | 75% | 0.746 | S | S | * | * | | | trans | -69.6 | 125.1 | 166.4 | -170.7 | 175.4 | 171.8 | 0 | 0 | 109.6 | T135 R140 | T135-E137 PolarHBondContact O-N 3.19Å; T135-E137 VanDerWaalsContact O-N 3.12Å; E137-R140 IonicContact OE1-CZ 3.43Å; E137-R140 VanDerWaalsContact OE1-CZ 3.26Å; E137-R140 IonicContact OE1-NE 3.18Å; E137-R140 PolarHBondContact OE1-NE 3.44Å; E137-R140 IonicContact OE1-NH2 3.23Å; E137-R140 PolarHBondContact OE1-NH2 3.07Å |
| 138 | K | 46.3 | Very low | 53.2 | Low | 176 Ų | 176 | 145 Ų | 145 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | | | trans | -69.4 | 137.8 | -177.5 | -78.5 | 174.2 | 174.7 | 171.9 | 0 | 111.2 | Q136 R140 | Q136-K138 PolarHBondContact O-N 2.97Å; K138-R140 PolarHBondContact O-N 2.95Å; K138-R140 VanDerWaalsContact O-N 3.08Å |
| 139 | G | 55.8 | Low | 54.4 | Low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 71% | 0.711 | S | S | * | * | | | trans | -53.3 | 109.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R141 | G139-R141 PolarHBondContact O-N 3.07Š|
| 140 | R | 50.3 | Low | 55.1 | Low | 189 Ų | 189 | 139.1 Ų | 139.1 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | | | trans | -70.1 | 121.8 | 160.6 | -62.3 | -177.5 | -172.2 | -130.6 | 1.3 | 108.3 | E137 K138 Y142 | E137-R140 IonicContact OE1-CZ 3.43Å; E137-R140 VanDerWaalsContact OE1-CZ 3.26Å; E137-R140 IonicContact OE1-NE 3.18Å; E137-R140 PolarHBondContact OE1-NE 3.44Å; E137-R140 IonicContact OE1-NH2 3.23Å; E137-R140 PolarHBondContact OE1-NH2 3.07Å; K138-R140 PolarHBondContact O-N 2.95Å; K138-R140 VanDerWaalsContact O-N 3.08Å; R140-Y142 PolarHBondContact O-N 3.05Å |
| 141 | R | 60.3 | Low | 55.7 | Low | 227 Ų | 227 | 140.5 Ų | 140.5 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | | | trans | -73.7 | 114.1 | 170.9 | -56.7 | -176.8 | -164.8 | -174.2 | 5 | 107.9 | G139 T143 | G139-R141 PolarHBondContact O-N 3.07Å; R141-T143 PolarHBondContact O-N 3Å |
| 142 | Y | 60.2 | Low | 56.5 | Low | 220 Ų | 220 | 136.5 Ų | 136.5 | 86% | 0.863 | 68% | 0.684 | S | S | * | * | | | trans | -66.6 | 102.2 | 168.6 | -66.9 | -83.5 | 0 | 0 | 0 | 108.7 | R140 L144 | R140-Y142 PolarHBondContact O-N 3.05Å; Y142-L144 PolarHBondContact O-N 3.46Å |
| 143 | T | 65.2 | Low | 57.2 | Low | 121 Ų | 121 | 141.8 Ų | 141.8 | 74% | 0.742 | 69% | 0.686 | S | S | * | * | | | trans | -80.9 | 108.4 | 171.6 | 50.2 | 0 | 0 | 0 | 0 | 108.7 | R141 T145 | R141-T143 PolarHBondContact O-N 3Å; T143-T145 PolarHBondContact O-N 3.16Å |
| 144 | L | 66.5 | Low | 57.2 | Low | 114 Ų | 114 | 140 Ų | 140 | 60% | 0.597 | 69% | 0.685 | S | S | * | * | | | trans | -56.5 | 128.9 | 173.8 | -61.8 | 177.7 | 0 | 0 | 0 | 110 | Y142 D148 F149 | Y142-L144 PolarHBondContact O-N 3.46Å; L144-D148 HydrophobicContact CB-CB 4.23Å; L144-D148 HydrophobicContact CD2-CB 4.08Å; L144-F149 HydrophobicContact CB-CE2 4.19Å |
| 145 | T | 69 | Low | 57.4 | Low | 85 Ų | 85 | 134 Ų | 134 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | | | trans | -85.7 | 166.1 | 176.9 | 70.2 | 0 | 0 | 0 | 0 | 110.5 | T143 G147 D148 F149 | T143-T145 PolarHBondContact O-N 3.16Å; T145-G147 PolarHBondContact O-N 3.34Å; T145-G147 VanDerWaalsContact O-N 3.12Å; T145-D148 WeakPolarHBondContact CA-OD2 3.37Å; T145-D148 WeakPolarHBondContact CB-OD2 3.42Å; T145-D148 PolarHBondContact N-OD2 3.09Å; T145-D148 PolarHBondContact O-N 3.19Å; T145-D148 PolarHBondContact OG1-OD2 2.89Å; T145-F149 WeakPolarHBondContact O-CD2 3.33Å |
| 146 | E | 64.8 | Low | 57.6 | Low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -58.9 | -26.1 | 178.7 | -166.8 | 170.9 | 171.9 | 0 | 0 | 113.1 | H150 | E146-H150 PolarHBondContact O-ND1 3.49Å |
| 147 | G | 68.6 | Low | 57.9 | Low | 36 Ų | 36 | 138 Ų | 138 | 37% | 0.371 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -68.7 | -36.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T145 F149 H150 H151 | T145-G147 PolarHBondContact O-N 3.34Å; T145-G147 VanDerWaalsContact O-N 3.12Å; G147-F149 VanDerWaalsContact C-N 3.28Å; G147-F149 PolarHBondContact O-N 3.44Å; G147-H150 WeakPolarHBondContact O-CB 3.4Å; G147-H150 PolarHBondContact O-N 2.89Å; G147-H151 PolarHBondContact O-CD2 3.46Å |
| 148 | D | 72.8 | Confident | 58.3 | Low | 68 Ų | 68 | 137.1 Ų | 137.1 | 36% | 0.364 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -65.5 | -34.6 | -177.7 | -59.5 | -60.6 | 0 | 0 | 0 | 111.6 | L144 T145 H150 H151 L152 | L144-D148 HydrophobicContact CB-CB 4.23Å; L144-D148 HydrophobicContact CD2-CB 4.08Å; T145-D148 WeakPolarHBondContact CA-OD2 3.37Å; T145-D148 WeakPolarHBondContact CB-OD2 3.42Å; T145-D148 PolarHBondContact N-OD2 3.09Å; T145-D148 PolarHBondContact O-N 3.19Å; T145-D148 PolarHBondContact OG1-OD2 2.89Å; D148-H150 PolarHBondContact O-N 3.31Å; D148-H151 PolarHBondContact O-N 2.95Å; D148-L152 PolarHBondContact O-N 3.5Å |
| 149 | F | 65.4 | Low | 58 | Low | 119 Ų | 119 | 136 Ų | 136 | 52% | 0.522 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -62.7 | -27.5 | 172.1 | -70.4 | -86 | 0 | 0 | 0 | 113.3 | L144 T145 G147 K153 | L144-F149 HydrophobicContact CB-CE2 4.19Å; T145-F149 WeakPolarHBondContact O-CD2 3.33Å; G147-F149 VanDerWaalsContact C-N 3.28Å; G147-F149 PolarHBondContact O-N 3.44Å; F149-K153 VanDerWaalsContact O-CB 3.25Å; F149-K153 WeakPolarHBondContact O-CB 3.23Å; F149-K153 PolarHBondContact O-N 3.34Å |
| 150 | H | 60.6 | Low | 57.3 | Low | 119 Ų | 119 | 139.4 Ų | 139.4 | 55% | 0.551 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73.2 | -31 | 177.2 | -72.5 | 59.5 | 0 | 0 | 0 | 111.9 | E146 G147 D148 N154 | E146-H150 PolarHBondContact O-ND1 3.49Å; G147-H150 WeakPolarHBondContact O-CB 3.4Å; G147-H150 PolarHBondContact O-N 2.89Å; D148-H150 PolarHBondContact O-N 3.31Å; H150-N154 PolarHBondContact O-ND2 3.49Å |
| 151 | H | 56.3 | Low | 56.8 | Low | 145 Ų | 145 | 137.8 Ų | 137.8 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -74.4 | -43.8 | 171.7 | -66.1 | -74.8 | 0 | 0 | 0 | 111 | G147 D148 K153 N154 A155 | G147-H151 PolarHBondContact O-CD2 3.46Å; D148-H151 PolarHBondContact O-N 2.95Å; H151-K153 VanDerWaalsContact C-N 3.35Å; H151-K153 PolarHBondContact O-N 2.78Å; H151-N154 PolarHBondContact O-N 3.26Å; H151-N154 VanDerWaalsContact O-N 3.12Å; H151-A155 PolarHBondContact O-N 3.45Å |
| 152 | L | 61.8 | Low | 55.9 | Low | 124 Ų | 124 | 133.4 Ų | 133.4 | 65% | 0.649 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -64.1 | -36.6 | 179.2 | -155.9 | 70.4 | 0 | 0 | 0 | 112.8 | D148 N154 A155 | D148-L152 PolarHBondContact O-N 3.5Å; L152-N154 PolarHBondContact O-N 2.85Å; L152-A155 WeakPolarHBondContact O-CB 3.33Å; L152-A155 PolarHBondContact O-N 3.49Å |
| 153 | K | 56 | Low | 54.8 | Low | 184 Ų | 184 | 128 Ų | 128 | 80% | 0.8 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -21 | 175.8 | -171.4 | 172.3 | -178.8 | 178.3 | 0 | 113.8 | F149 H151 | F149-K153 VanDerWaalsContact O-CB 3.25Å; F149-K153 WeakPolarHBondContact O-CB 3.23Å; F149-K153 PolarHBondContact O-N 3.34Å; H151-K153 VanDerWaalsContact C-N 3.35Å; H151-K153 PolarHBondContact O-N 2.78Å |
| 154 | N | 49.5 | Very low | 53.4 | Low | 130 Ų | 130 | 128 Ų | 128 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -7.7 | 175.4 | -74.6 | -50.6 | 0 | 0 | 0 | 113.2 | H150 H151 L152 R156 | H150-N154 PolarHBondContact O-ND2 3.49Å; H151-N154 PolarHBondContact O-N 3.26Å; H151-N154 VanDerWaalsContact O-N 3.12Å; L152-N154 PolarHBondContact O-N 2.85Å; N154-R156 PolarHBondContact O-N 2.9Å |
| 155 | A | 52.5 | Low | 51.9 | Low | 68 Ų | 68 | 128 Ų | 128 | 56% | 0.562 | 68% | 0.68 | S | S | * | * | | | trans | -72.4 | 70.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | H151 L152 L157 | H151-A155 PolarHBondContact O-N 3.45Å; L152-A155 WeakPolarHBondContact O-CB 3.33Å; L152-A155 PolarHBondContact O-N 3.49Å; A155-L157 PolarHBondContact O-N 2.99Å; A155-L157 VanDerWaalsContact O-N 3.1Å |
| 156 | R | 47.8 | Very low | 50.3 | Low | 227 Ų | 227 | 128.9 Ų | 128.9 | 86% | 0.857 | 70% | 0.696 | S | S | * | * | | | trans | -60.3 | 112.1 | 170.5 | -77.1 | -179.6 | 166.9 | -177.2 | -4.8 | 109.2 | N154 T158 | N154-R156 PolarHBondContact O-N 2.9Å; R156-T158 PolarHBondContact O-N 3.4Å |
| 157 | L | 50.6 | Low | 49 | Very low | 171 Ų | 171 | 129.1 Ų | 129.1 | 90% | 0.895 | 70% | 0.701 | S | S | * | * | | | trans | -58.3 | 103.3 | 165.9 | -71.9 | 168 | 0 | 0 | 0 | 108.9 | A155 N159 | A155-L157 PolarHBondContact O-N 2.99Å; A155-L157 VanDerWaalsContact O-N 3.1Å; L157-N159 PolarHBondContact O-N 2.97Å |
| 158 | T | 44.1 | Very low | 47.4 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | | | trans | -70.1 | 124.1 | 169.9 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | R156 L160 | R156-T158 PolarHBondContact O-N 3.4Å; T158-L160 PolarHBondContact O-N 2.87Å |
| 159 | N | 40.6 | Very low | 45.8 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | | | trans | -51.5 | 111.8 | -172.8 | -58.8 | -68.1 | 0 | 0 | 0 | 112.6 | L157 N161 | L157-N159 PolarHBondContact O-N 2.97Å; N159-N161 PolarHBondContact O-N 3.32Å; N159-N161 VanDerWaalsContact O-N 3.16Å |
| 160 | L | 40.2 | Very low | 44.4 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | | | trans | -78.7 | 90.9 | 162.8 | -70.1 | 176.7 | 0 | 0 | 0 | 108.2 | T158 I162 | T158-L160 PolarHBondContact O-N 2.87Å; L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 HydrophobicContact CB-CG1 4.41Å; L160-I162 PolarHBondContact O-N 2.95Å |
| 161 | N | 39.3 | Very low | 43.6 | Very low | 154 Ų | 154 | 141 Ų | 141 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -67.5 | 90 | 169 | -90.6 | 5 | 0 | 0 | 0 | 109.5 | N159 | N159-N161 PolarHBondContact O-N 3.32Å; N159-N161 VanDerWaalsContact O-N 3.16Å |
| 162 | I | 41.8 | Very low | 42.9 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | | | trans | -95.5 | 114.5 | 169.1 | -58 | 174.8 | 0 | 0 | 0 | 107.3 | L160 | L160-I162 VanDerWaalsContact C-N 3.3Å; L160-I162 HydrophobicContact CB-CG1 4.41Å; L160-I162 PolarHBondContact O-N 2.95Å |
| 163 | P | 37.3 | Very low | 41.8 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 135.7 | 174.5 | 29.3 | -32.9 | 0 | 0 | 0 | 109.8 | | |
| 164 | P | 35.9 | Very low | 41.3 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 126.2 | 180 | 27 | -33.4 | 0 | 0 | 0 | 110.7 | A166 | P164-A166 PolarHBondContact O-N 3.48Š|
| 165 | P | 36.2 | Very low | 40.4 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 126.9 | 174.9 | 29.1 | -33 | 0 | 0 | 0 | 110.1 | L167 | P165-L167 PolarHBondContact O-N 3.03Š|
| 166 | A | 34.5 | Very low | 39.3 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -73.3 | 115.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P164 | P164-A166 PolarHBondContact O-N 3.48Š|
| 167 | L | 36.9 | Very low | 38.5 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | -118.3 | 145.9 | 166.8 | -71.8 | 177.7 | 0 | 0 | 0 | 110.4 | P165 | P165-L167 PolarHBondContact O-N 3.03Š|
| 168 | K | 35.9 | Very low | 37.7 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | -120.7 | 99.4 | -158.2 | 178.1 | -172.5 | 177.3 | -174.7 | 0 | 109.5 | | |
| 169 | I | 37.9 | Very low | 37.1 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | trans | -105.1 | 135.7 | 171.8 | -60.1 | 179.7 | 0 | 0 | 0 | 108 | | |
| 170 | V | 37.3 | Very low | 36.8 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 116.1 | -174.6 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | I172 | V170-I172 HydrophobicContact CG1-CG1 4.25Š|
| 171 | T | 42.3 | Very low | 36.2 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 124 | 163.1 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 172 | I | 43.3 | Very low | 35.9 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 161.7 | 171.9 | -57.6 | 178.9 | 0 | 0 | 0 | 108.5 | V170 | V170-I172 HydrophobicContact CG1-CG1 4.25Š|
| 173 | H | 36.9 | Very low | 35.5 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | | | trans | -131.4 | 131.3 | -150.5 | -173.7 | -61.6 | 0 | 0 | 0 | 111.8 | | |
| 174 | E | 45.9 | Very low | 35.1 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | -172.3 | 113.6 | 159.9 | -103 | 150.5 | -148.4 | 0 | 0 | 106.4 | | |
| 175 | C | 31 | Very low | 34.9 | Very low | 95 Ų | 95 | 136 Ų | 136 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | | | | 75.3 | 132.4 | 86.7 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 176 | D | 28.9 | Very low | 34.5 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | cis | -160.6 | 159.5 | -1.8 | -137.7 | -52.6 | 0 | 0 | 0 | 112 | | |
| 177 | S | 32.2 | Very low | 34.3 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | 25.2 | 156.1 | 155.8 | -59.1 | 0 | 0 | 0 | 0 | 122.9 | | |
| 178 | A | 32.8 | Very low | 34.1 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | cis | -156.6 | -178.5 | 18.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 179 | E | 32.2 | Very low | 33.7 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | 59.5 | 115 | 156.8 | -65.6 | 157.1 | -124.3 | 0 | 0 | 118.7 | | |
| 180 | N | 33.5 | Very low | 33.2 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | cis | -144.9 | -170.8 | 46.9 | 69.9 | 76.3 | 0 | 0 | 0 | 113.9 | | |
| 181 | T | 28.6 | Very low | 33 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | | | trans | -132.3 | 135.8 | -172.5 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 182 | I | 33.4 | Very low | 32.3 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -159.7 | 135.6 | 137.2 | -101.3 | 148.5 | 0 | 0 | 0 | 109.7 | | |
| 183 | T | 31.6 | Very low | 31.7 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -113.5 | 131.7 | -174 | -21.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 184 | S | 29 | Very low | 31.7 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -142.8 | 126.7 | 151 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 185 | T | 31.7 | Very low | 30.9 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | | | trans | -143.8 | 122.1 | 179 | -71.7 | 0 | 0 | 0 | 0 | 108.2 | R187 | T185-R187 HydrophobicContact CG2-CG 4.18Š|
| 186 | T | 28 | Very low | 31.2 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | | | trans | -101.4 | 105.4 | 174.8 | -50.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 187 | R | 31.2 | Very low | 31.5 | Very low | 211 Ų | 211 | 135 Ų | 135 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -110 | 149.1 | 175.3 | -96.8 | 179.4 | 171 | 161 | -2.5 | 111 | T185 | T185-R187 HydrophobicContact CG2-CG 4.18Š|
| 188 | P | 32.1 | Very low | 31.4 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -116.4 | 110.4 | 133.1 | 32.1 | -24.7 | 0 | 0 | 0 | 109 | | |
| 189 | V | 28.1 | Very low | 31.9 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | | 78.8 | 101.6 | 70.2 | 173.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 190 | A | 26.7 | Very low | 31.6 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | | | trans | -157.1 | 102 | 147.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 191 | K | 34 | Very low | 31.3 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | 31.7 | 138.7 | 141.9 | -36.9 | 177.8 | -176.3 | 174.9 | 0 | 118.9 | | |
| 192 | S | 28.2 | Very low | 31.5 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | cis | -166.7 | 163.6 | 29 | -37.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 193 | A | 30.5 | Very low | 31.8 | Very low | 90 Ų | 90 | 135.9 Ų | 135.9 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | 51.8 | 135.3 | 143 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 194 | L | 36.1 | Very low | 31.5 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | cis | -145.3 | 154.7 | -0.9 | -79.4 | 134.3 | 0 | 0 | 0 | 106.7 | | |
| 195 | S | 30.2 | Very low | 32.4 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | | 58 | 133 | 67 | -112.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 196 | I | 35.3 | Very low | 32.3 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 70% | 0.703 | 78% | 0.779 | S | S | * | * | | | cis | -152.7 | 151.1 | 11.5 | -21.4 | 165 | 0 | 0 | 0 | 110.5 | | |
| 197 | F | 36.4 | Very low | 32.1 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | 170.5 | 174.8 | 126.1 | -96.2 | -67 | 0 | 0 | 0 | 113.8 | | |
| 198 | Q | 29.2 | Very low | 32.4 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | -161 | 179.3 | -151.3 | -117 | -160.2 | -36.5 | 0 | 0 | 110 | | |
| 199 | P | 43.7 | Very low | 32.2 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 55% | 0.545 | 77% | 0.77 | S | S | . | * | | | | -141 | -170.3 | -58.6 | 33.8 | -10.6 | 0 | 0 | 0 | 115.3 | | |
| 200 | M | 26 | Very low | 32.1 | Very low | 157 Ų | 157 | 137.2 Ų | 137.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 72.9 | 145.5 | 161.8 | -41.7 | -54.2 | -179.5 | 0 | 0 | 117.7 | | |
| 201 | L | 28.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 139.8 Ų | 139.8 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | cis | -161.2 | 161.3 | 46 | -81.1 | 166.1 | 0 | 0 | 0 | 112 | | |
| 202 | C | 31.9 | Very low | 32 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -102.9 | 164.1 | 163.2 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 203 | P | 39.7 | Very low | 32.1 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | | | | -152.4 | 174.5 | 94.3 | 40.9 | -23 | 0 | 0 | 0 | 117.6 | | |
| 204 | L | 25.4 | Very low | 32.1 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -71.6 | -172.1 | 161.5 | -131.3 | 62.9 | 0 | 0 | 0 | 110.2 | | |
| 205 | P | 47.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 140 Ų | 140 | 62% | 0.623 | 77% | 0.774 | S | S | * | * | | | cis | -147.5 | -171.1 | -1.3 | 28.4 | -0.2 | 0 | 0 | 0 | 118 | | |
| 206 | Q | 29 | Very low | 32.8 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 97.1 | 140.3 | 148.5 | -47.8 | -164.5 | -1.1 | 0 | 0 | 123 | | |
| 207 | T | 25.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | trans | -62.4 | 173.2 | 160.5 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 208 | P | 35.8 | Very low | 32 | Very low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | | | cis | -158.3 | 172 | 34.6 | 45.2 | -22.8 | 0 | 0 | 0 | 122 | | |
| 209 | L | 29.2 | Very low | 31.9 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 58.2 | 160 | 138.7 | -72.5 | 168.7 | 0 | 0 | 0 | 125.1 | | |
| 210 | I | 26.6 | Very low | 31.3 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | | | trans | 111.1 | 128.3 | 150.2 | -55.3 | -166.8 | 0 | 0 | 0 | 118 | | |
| 211 | N | 29.7 | Very low | 32 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | -90.4 | 158.3 | 173.8 | -51.8 | -34.3 | 0 | 0 | 0 | 111.9 | | |
| 212 | L | 28.9 | Very low | 32.4 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -157.5 | 163.7 | 139 | -138.9 | 71.5 | 0 | 0 | 0 | 113.3 | | |
| 213 | S | 30.3 | Very low | 32.4 | Very low | 102 Ų | 102 | 133.3 Ų | 133.3 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | trans | -111.9 | -158.8 | 176.9 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 214 | V | 30 | Very low | 32.3 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | trans | 96.9 | 99.3 | 167.2 | -171.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 215 | N | 31.8 | Very low | 33 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | | | trans | -82.1 | 168.1 | 140 | -67.8 | -21.2 | 0 | 0 | 0 | 108.4 | | |
| 216 | P | 49.3 | Very low | 32.5 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | cis | -144.2 | 179.4 | 17.5 | 43.7 | -25.3 | 0 | 0 | 0 | 117 | | |
| 217 | S | 26.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | trans | -176.7 | 168.5 | 144.9 | -85 | 0 | 0 | 0 | 0 | 112.5 | | |
| 218 | C | 27.8 | Very low | 32.9 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -125.5 | 153.8 | -158.7 | -44.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 219 | A | 27.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -163.1 | 158.7 | 152.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 220 | L | 29.6 | Very low | 32.8 | Very low | 169 Ų | 169 | 128 Ų | 128 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | trans | -100.4 | 178.8 | -180 | -82.1 | 170.1 | 0 | 0 | 0 | 111.6 | | |
| 221 | P | 42.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | cis | -116.8 | -179.6 | 13.2 | 42.7 | -28.6 | 0 | 0 | 0 | 114 | | |
| 222 | G | 35.6 | Very low | 32.8 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | cis | 114.8 | 143.1 | 28.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 223 | D | 31.6 | Very low | 32.7 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | cis | -136.8 | 146.9 | 11.6 | -109.1 | -1.9 | 0 | 0 | 0 | 109 | | |
| 224 | A | 37.8 | Very low | 33 | Very low | 77 Ų | 77 | 125 Ų | 125 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | | 71.5 | 140.1 | 78.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 225 | L | 39.6 | Very low | 32.8 | Very low | 146 Ų | 146 | 125 Ų | 125 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | cis | -149.7 | 172.1 | 16.3 | -69.9 | 169.8 | 0 | 0 | 0 | 108.2 | | |
| 226 | N | 37.5 | Very low | 32.5 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | cis | -159.9 | 150.9 | -7.4 | -109.3 | -17.7 | 0 | 0 | 0 | 105.8 | | |
| 227 | S | 32.7 | Very low | 31.4 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | | | cis | 106.3 | 157.2 | 34.8 | -168.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 228 | V | 31.4 | Very low | 31.3 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | 72.8 | 133.2 | -177.7 | -179.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 229 | V | 35.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | cis | -158.1 | 144.4 | -17.3 | 132.2 | 0 | 0 | 0 | 0 | 104.1 | | |
| 230 | D | 27.2 | Very low | 31.2 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | cis | 106.2 | 138.4 | 22.5 | -158.9 | 25.9 | 0 | 0 | 0 | 115.3 | | |
| 231 | T | 27.6 | Very low | 31.1 | Very low | 105 Ų | 105 | 121 Ų | 121 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | | | trans | 45.4 | 116.2 | 168 | 50.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 232 | S | 27.5 | Very low | 30.3 | Very low | 97 Ų | 97 | 120.2 Ų | 120.2 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | | | | 84.1 | 164.8 | 119 | 79.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 233 | F | 27.2 | Very low | 30.1 | Very low | 176 Ų | 176 | 123.2 Ų | 123.2 | 77% | 0.772 | 75% | 0.747 | S | S | * | * | | | trans | 64.1 | 118.5 | 172.9 | -76.8 | -81.6 | 0 | 0 | 0 | 120.1 | E235 | F233-E235 HydrophobicContact CD1-CB 4.33Š|
| 234 | C | 37 | Very low | 29.9 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 95% | 0.946 | 75% | 0.749 | S | S | * | * | | | trans | -127.5 | 93.6 | 141.2 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 235 | E | 25.7 | Very low | 30 | Very low | 122 Ų | 122 | 127 Ų | 127 | 57% | 0.57 | 75% | 0.754 | S | S | * | * | | | trans | -150.1 | 118.6 | 168.3 | -172.4 | 178.3 | -169.3 | 0 | 0 | 111.5 | F233 | F233-E235 HydrophobicContact CD1-CB 4.33Š|
| 236 | K | 25.6 | Very low | 29.4 | Very low | 172 Ų | 172 | 126.3 Ų | 126.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | 65.3 | 147.8 | 162.7 | -70.4 | 165.6 | -174 | 154.8 | 0 | 116.3 | | |
| 237 | S | 26.2 | Very low | 28.9 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -160.7 | 156.7 | -3.4 | -123.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 238 | A | 25.1 | Very low | 28.7 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | | | trans | 69.9 | 169.6 | 146.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 239 | A | 26.8 | Very low | 28.6 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | 70 | 106.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 240 | L | 25.3 | Very low | 28.6 | Very low | 183 Ų | 183 | 125.1 Ų | 125.1 | 96% | 0.958 | 76% | 0.755 | S | S | * | * | | | | 76.6 | 114 | 52 | -168.4 | 78 | 0 | 0 | 0 | 112.3 | | |
| 241 | G | 27.6 | Very low | 28.7 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | 130 | 89.1 | -176 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 242 | S | 26.5 | Very low | 28.7 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | | 85.7 | 153.6 | 66.1 | 76.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 243 | T | 30.2 | Very low | 28.8 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 62.4 | 107.3 | 152.3 | 44.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 244 | K | 27.8 | Very low | 28.8 | Very low | 202 Ų | 202 | 132.4 Ų | 132.4 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | | | trans | -47.9 | 160.3 | 132.4 | -69.8 | 177 | 173.9 | 175.5 | 0 | 110.4 | | |
| 245 | P | 39.4 | Very low | 28.4 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | | | cis | -139.6 | -170.4 | 8.6 | 38.7 | -17.1 | 0 | 0 | 0 | 115.9 | | |
| 246 | T | 27.1 | Very low | 28.6 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -7.8 | 135.7 | 152.4 | -31.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 247 | S | 27.1 | Very low | 29.6 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | | 144 | 116.8 | 111.3 | -159.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 248 | S | 28.5 | Very low | 30.1 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 69.2 | 161.2 | 131.9 | 68.4 | 0 | 0 | 0 | 0 | 125.1 | | |
| 249 | S | 30.6 | Very low | 30.3 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | 82.9 | 149.5 | 164.4 | -106.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 250 | I | 33.6 | Very low | 30.7 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | | | cis | -161.2 | 164.1 | 3.4 | -153.3 | 148.9 | 0 | 0 | 0 | 107.1 | | |
| 251 | E | 29.7 | Very low | 30.8 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | cis | -159.7 | 179.6 | 4.1 | -140.7 | -83.1 | 88.7 | 0 | 0 | 109.3 | | |
| 252 | M | 29 | Very low | 31.1 | Very low | 139 Ų | 139 | 142 Ų | 142 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | 76.8 | 145.1 | 162 | -64.5 | -159.8 | -171.2 | 0 | 0 | 119 | | |
| 253 | M | 29 | Very low | 31.3 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | | | cis | -143.1 | 126.4 | 6.1 | -145.8 | -173.8 | -62.8 | 0 | 0 | 115.2 | | |
| 254 | R | 27.5 | Very low | 31.3 | Very low | 232 Ų | 232 | 141.5 Ų | 141.5 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | | | trans | 32.1 | 106.6 | 145.9 | -171.1 | -171.4 | -67.1 | 160.9 | 0.5 | 120.5 | | |
| 255 | A | 29.1 | Very low | 31.4 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -151.8 | 147.8 | 130.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 256 | R | 29.9 | Very low | 31 | Very low | 244 Ų | 244 | 137.3 Ų | 137.3 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | | | trans | -171 | 171.9 | -174.2 | -125.5 | -164.3 | 174.4 | -168.2 | 2.8 | 107.3 | | |
| 257 | P | 45.9 | Very low | 31 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 58% | 0.578 | 74% | 0.74 | S | S | * | * | | | cis | -146.1 | -176.3 | 2.8 | 43.6 | -24.4 | 0 | 0 | 0 | 118.2 | | |
| 258 | R | 35.7 | Very low | 31 | Very low | 211 Ų | 211 | 138.7 Ų | 138.7 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | | | trans | 73.9 | 158.8 | 144.1 | -86.1 | 179 | -170.6 | 164 | 1.7 | 118.6 | | |
| 259 | D | 29.8 | Very low | 31 | Very low | 116 Ų | 116 | 138 Ų | 138 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | | | cis | -130.5 | 148.9 | -0.7 | -100.1 | -49.6 | 0 | 0 | 0 | 108.2 | | |
| 260 | R | 36 | Very low | 30.9 | Very low | 230 Ų | 230 | 137.3 Ų | 137.3 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | | | | 53.3 | 121 | 68.5 | -173.9 | -178.1 | -76 | -124.2 | -3.8 | 112.4 | | |
| 261 | G | 27.7 | Very low | 31.5 | Very low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | | | cis | 132.5 | 161.7 | 9.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 262 | S | 33.1 | Very low | 31.5 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | | | trans | 71.3 | 155.2 | -179.6 | -118.6 | 0 | 0 | 0 | 0 | 115 | | |
| 263 | S | 31.1 | Very low | 31.6 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | cis | 178.1 | 175.3 | -23.5 | 46.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 264 | V | 29.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | 73.1 | 142.1 | 158 | 161.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 265 | S | 31 | Very low | 31.6 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | cis | -176.7 | 171 | -16.8 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 266 | V | 29.7 | Very low | 31.8 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | | | trans | 68.8 | 143.9 | 158.8 | 176.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 267 | G | 26.8 | Very low | 31.6 | Very low | 60 Ų | 60 | 121.6 Ų | 121.6 | 62% | 0.619 | 75% | 0.754 | S | S | * | * | | | cis | 165.3 | 173 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 268 | E | 28 | Very low | 30.9 | Very low | 197 Ų | 197 | 122.4 Ų | 122.4 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | | | trans | 60.8 | 153.7 | 169.6 | -77.7 | 177.7 | 91.7 | 0 | 0 | 118.7 | | |
| 269 | A | 28.6 | Very low | 30.5 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | cis | -154.4 | 172.8 | -12.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 270 | A | 27.5 | Very low | 30.9 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | -96.1 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 271 | P | 47.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 112.1 Ų | 112.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | | -146.4 | -173.2 | 82.2 | 41.1 | -21.6 | 0 | 0 | 0 | 112.7 | | |
| 272 | T | 30.2 | Very low | 30.7 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | cis | -151.3 | 142.9 | 13 | -33.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 273 | M | 31.4 | Very low | 30.6 | Very low | 175 Ų | 175 | 113.2 Ų | 113.2 | 86% | 0.862 | 78% | 0.783 | S | S | * | * | | | trans | 16.1 | 145.3 | 157.8 | -62.3 | -179.7 | 70.1 | 0 | 0 | 123.2 | | |
| 274 | G | 26.1 | Very low | 30.6 | Very low | 67 Ų | 67 | 117 Ų | 117 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | cis | 170.2 | -154.5 | 1.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 275 | N | 30.5 | Very low | 30.6 | Very low | 148 Ų | 148 | 115.3 Ų | 115.3 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | 75.5 | 69.6 | -176.5 | -75.9 | 23 | 0 | 0 | 0 | 118.7 | | |
| 276 | S | 31.9 | Very low | 30.6 | Very low | 125 Ų | 125 | 114 Ų | 114 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | | 21.9 | 129.4 | 114.5 | -43.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 277 | G | 26.8 | Very low | 31.5 | Very low | 76 Ų | 76 | 113.4 Ų | 113.4 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -161.9 | 10.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 278 | A | 31.5 | Very low | 32.1 | Very low | 106 Ų | 106 | 116 Ų | 116 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | trans | 64.1 | 141 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 279 | G | 26 | Very low | 32.7 | Very low | 68 Ų | 68 | 117.7 Ų | 117.7 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | -88.1 | -174.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 280 | P | 37.8 | Very low | 33.7 | Very low | 134 Ų | 134 | 116.3 Ų | 116.3 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | | -130.7 | 156.3 | 74.5 | 38.7 | -31 | 0 | 0 | 0 | 115.3 | | |
| 281 | T | 30.5 | Very low | 34.6 | Very low | 139 Ų | 139 | 119.1 Ų | 119.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | -82.8 | 124 | 171.1 | 48.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 282 | C | 30.3 | Very low | 34.8 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 90% | 0.899 | 79% | 0.792 | S | S | * | * | | | trans | -155.8 | 144.2 | 154.4 | -115.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 283 | G | 30.9 | Very low | 35.9 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 32.9 | 86.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | A285 | G283-A285 PolarHBondContact O-N 3.37Š|
| 284 | I | 31.5 | Very low | 36.5 | Very low | 169 Ų | 169 | 122.3 Ų | 122.3 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | 3.8 | 99.7 | 158.1 | -57.2 | 175 | 0 | 0 | 0 | 114.7 | | |
| 285 | A | 29.6 | Very low | 37.7 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -67.6 | 146.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | G283 | G283-A285 PolarHBondContact O-N 3.37Š|
| 286 | G | 30.2 | Very low | 38.4 | Very low | 62 Ų | 62 | 125.2 Ų | 125.2 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | cis | 172.7 | -171.9 | -1.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P288 | G286-P288 WeakPolarHBondContact O-CD 3.42Š|
| 287 | S | 49.1 | Very low | 38.8 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | | | trans | -72.7 | 138.7 | 166.8 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 288 | P | 38 | Very low | 39.1 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | -141.2 | 117.8 | 135.6 | 29.8 | -12 | 0 | 0 | 0 | 113.4 | G286 | G286-P288 WeakPolarHBondContact O-CD 3.42Š|
| 289 | R | 42.1 | Very low | 39.7 | Very low | 234 Ų | 234 | 138.9 Ų | 138.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -57.6 | 155 | 135.8 | -69.6 | 170.3 | 163.9 | 166.4 | -7.3 | 108 | | |
| 290 | P | 49.4 | Very low | 40.6 | Very low | 63 Ų | 63 | 146.4 Ų | 146.4 | 41% | 0.409 | 80% | 0.801 | S | S | . | * | | | cis | -134.3 | 175.6 | -4.3 | 40.5 | -24.5 | 0 | 0 | 0 | 114.4 | L292 Q293 | P290-L292 HydrophobicContact CB-CB 4.07Å; P290-L292 HydrophobicContact CG-CB 3.61Å; P290-L292 PolarHBondContact O-N 2.87Å; P290-L292 VanDerWaalsContact O-N 3.15Å; P290-Q293 HydrophobicContact CG-CG 4.08Å; P290-Q293 PolarHBondContact O-N 3.4Å |
| 291 | V | 46.2 | Very low | 40.9 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -61 | -19.2 | 164.8 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | Q293 | V291-Q293 PolarHBondContact O-N 2.88Š|
| 292 | L | 51.5 | Low | 40.9 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -64.6 | -3.4 | 176.1 | -121.9 | 78 | 0 | 0 | 0 | 115.7 | P290 | P290-L292 HydrophobicContact CB-CB 4.07Å; P290-L292 HydrophobicContact CG-CB 3.61Å; P290-L292 PolarHBondContact O-N 2.87Å; P290-L292 VanDerWaalsContact O-N 3.15Å |
| 293 | Q | 53.3 | Low | 41 | Very low | 126 Ų | 126 | 145.6 Ų | 145.6 | 59% | 0.589 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -101.9 | 0.9 | -173.1 | -82.4 | -174.7 | 10.9 | 0 | 0 | 117 | P290 V291 T296 | P290-Q293 HydrophobicContact CG-CG 4.08Å; P290-Q293 PolarHBondContact O-N 3.4Å; V291-Q293 PolarHBondContact O-N 2.88Å; Q293-T296 WeakPolarHBondContact CA-OG1 3.48Å; Q293-T296 PolarHBondContact O-OG1 3.18Å |
| 294 | F | 43.2 | Very low | 41.4 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -88.1 | -21.4 | 173.7 | -112.6 | -80.9 | 0 | 0 | 0 | 114.8 | T296 | F294-T296 VanDerWaalsContact C-N 3.28Å; F294-T296 PolarHBondContact O-N 3.29Å |
| 295 | L | 51.1 | Low | 41.8 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -5.3 | 171.9 | -66.8 | 177.3 | 0 | 0 | 0 | 113.4 | | |
| 296 | T | 45.1 | Very low | 42 | Very low | 100 Ų | 100 | 150.1 Ų | 150.1 | 61% | 0.613 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 15.8 | -170.7 | 49.9 | 0 | 0 | 0 | 0 | 115.2 | Q293 F294 | Q293-T296 WeakPolarHBondContact CA-OG1 3.48Å; Q293-T296 PolarHBondContact O-OG1 3.18Å; F294-T296 VanDerWaalsContact C-N 3.28Å; F294-T296 PolarHBondContact O-N 3.29Å |
| 297 | K | 41.6 | Very low | 42.2 | Very low | 192 Ų | 192 | 152.1 Ų | 152.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -135.9 | 32 | -173.9 | -138.4 | 176.5 | -175.5 | 178.5 | 0 | 118.6 | | |
| 298 | L | 32.8 | Very low | 41.3 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -141.5 | 68.1 | 150.9 | -155.5 | 69.3 | 0 | 0 | 0 | 113.9 | | |
| 299 | R | 43.3 | Very low | 41.8 | Very low | 228 Ų | 228 | 150.6 Ų | 150.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -129.7 | 103.3 | 160.4 | 178.9 | -162.2 | -71.9 | -172.6 | -2.8 | 110 | | |
| 300 | R | 45.4 | Very low | 41.6 | Very low | 226 Ų | 226 | 149.3 Ų | 149.3 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | | -149.9 | 141.2 | 126.4 | -55.2 | -164.7 | -173 | -154.1 | -1.8 | 104.6 | | |
| 301 | H | 43 | Very low | 41.3 | Very low | 182 Ų | 182 | 156.8 Ų | 156.8 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | S | Bend | cis | -124.2 | 161.2 | 27.3 | -64.7 | -107 | 0 | 0 | 0 | 114.4 | | |
| 302 | A | 30.9 | Very low | 41.2 | Very low | 99 Ų | 99 | 158.8 Ų | 158.8 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -14.9 | 165 | 161.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 303 | S | 33.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 159.8 Ų | 159.8 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | | | cis | 169.5 | 125.9 | -18.7 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 304 | L | 38.5 | Very low | 40.7 | Very low | 174 Ų | 174 | 162.9 Ų | 162.9 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | | | trans | -166.5 | 156.7 | 140 | -137.6 | 69.3 | 0 | 0 | 0 | 111.9 | | |
| 305 | E | 40.6 | Very low | 40.8 | Very low | 192 Ų | 192 | 162 Ų | 162 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | | | trans | -97.9 | 157.9 | 177.8 | -61.6 | 166.3 | 112.5 | 0 | 0 | 111.1 | | |
| 306 | G | 34 | Very low | 40.2 | Very low | 75 Ų | 75 | 165.8 Ų | 165.8 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | -177.4 | 67.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 307 | A | 33.9 | Very low | 39.8 | Very low | 104 Ų | 104 | 169.5 Ų | 169.5 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | | | trans | 49.3 | 119.1 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 308 | S | 29.7 | Very low | 39.9 | Very low | 113 Ų | 113 | 168.5 Ų | 168.5 | 79% | 0.79 | 84% | 0.84 | S | S | * | * | | | trans | -74.4 | 177.6 | 148.5 | -148.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 309 | P | 49.1 | Very low | 40.1 | Very low | 94 Ų | 94 | 166.5 Ų | 166.5 | 61% | 0.61 | 83% | 0.83 | S | S | * | * | | | cis | -139.9 | -163.8 | 5.7 | 26.3 | 1.7 | 0 | 0 | 0 | 115.7 | | |
| 310 | Y | 37.9 | Very low | 40.4 | Very low | 207 Ų | 207 | 160.7 Ų | 160.7 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | | | trans | 78 | 93.8 | 165.5 | -62.8 | -74.6 | 0 | 0 | 0 | 119.8 | K312 | Y310-K312 PolarHBondContact O-N 2.94Š|
| 311 | F | 43.6 | Very low | 40.1 | Very low | 221 Ų | 221 | 155.4 Ų | 155.4 | 97% | 0.969 | 82% | 0.822 | S | S | * | * | | | trans | -73.3 | 112.6 | 151.9 | -83.4 | -88.8 | 0 | 0 | 0 | 110.6 | | |
| 312 | K | 43.1 | Very low | 40.1 | Very low | 191 Ų | 191 | 155.6 Ų | 155.6 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | | | trans | -89.6 | 122 | 165.7 | -80.5 | -171 | 175.3 | -179.1 | 0 | 110.6 | Y310 K314 | Y310-K312 PolarHBondContact O-N 2.94Å; K312-K314 PolarHBondContact O-N 2.88Å; K312-K314 VanDerWaalsContact O-N 3.1Å |
| 313 | I | 51.5 | Low | 40.7 | Very low | 166 Ų | 166 | 162.3 Ų | 162.3 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | | | trans | -58.4 | 111.8 | 172.3 | -60.3 | 166.2 | 0 | 0 | 0 | 109 | | |
| 314 | K | 41.9 | Very low | 40.9 | Very low | 191 Ų | 191 | 162 Ų | 162 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | | | trans | -98.6 | 103.4 | 177.2 | -158.4 | 175.4 | -174.5 | -177.3 | 0 | 109.1 | K312 W316 | K312-K314 PolarHBondContact O-N 2.88Å; K312-K314 VanDerWaalsContact O-N 3.1Å; K314-W316 PolarHBondContact O-N 3.46Å |
| 315 | K | 47 | Very low | 40.5 | Very low | 189 Ų | 189 | 159.5 Ų | 159.5 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 119.2 | 177.7 | -65.5 | 176.7 | 64.6 | 167.6 | 0 | 110 | K317 | K315-K317 PolarHBondContact O-N 3.49Š|
| 316 | W | 37.7 | Very low | 40.4 | Very low | 255 Ų | 255 | 155.6 Ų | 155.6 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69 | 126.6 | 161.6 | -68.8 | 93.1 | 0 | 0 | 0 | 108.2 | K314 | K314-W316 PolarHBondContact O-N 3.46Š|
| 317 | K | 37.2 | Very low | 40.7 | Very low | 179 Ų | 179 | 159.1 Ų | 159.1 | 78% | 0.778 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 140.7 | 169.4 | -83.8 | -168.1 | 171.2 | -169.3 | 0 | 109.1 | K315 D319 | K315-K317 PolarHBondContact O-N 3.49Å; K317-D319 PolarHBondContact O-N 2.89Å |
| 318 | L | 43.8 | Very low | 41 | Very low | 171 Ų | 171 | 160.3 Ų | 160.3 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | | | trans | -95 | 84.1 | 174.9 | -153.6 | 164.7 | 0 | 0 | 0 | 107.2 | S320 | L318-S320 PolarHBondContact O-N 3.39Š|
| 319 | D | 37.3 | Very low | 41.7 | Very low | 132 Ų | 132 | 160.9 Ų | 160.9 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | | | trans | -72.5 | 119.9 | -178.6 | -79 | -19.1 | 0 | 0 | 0 | 110.3 | K317 S321 | K317-D319 PolarHBondContact O-N 2.89Å; D319-S321 PolarHBondContact O-N 2.92Å |
| 320 | S | 48.2 | Very low | 41.5 | Very low | 107 Ų | 107 | 167.1 Ų | 167.1 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | | | trans | -79 | 99.5 | 179.4 | -171.3 | 0 | 0 | 0 | 0 | 110.4 | L318 Q322 | L318-S320 PolarHBondContact O-N 3.39Å; S320-Q322 VanDerWaalsContact C-N 3.26Å; S320-Q322 PolarHBondContact O-N 3.48Å |
| 321 | S | 40.3 | Very low | 41.5 | Very low | 115 Ų | 115 | 160.4 Ų | 160.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -81.5 | 60.9 | -177.8 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | D319 R323 | D319-S321 PolarHBondContact O-N 2.92Å; S321-R323 PolarHBondContact O-N 2.99Å |
| 322 | Q | 42.8 | Very low | 41.1 | Very low | 186 Ų | 186 | 155.5 Ų | 155.5 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | | | trans | -64.5 | 104.4 | 159.7 | -75.6 | -169.4 | -6.5 | 0 | 0 | 109.4 | S320 | S320-Q322 VanDerWaalsContact C-N 3.26Å; S320-Q322 PolarHBondContact O-N 3.48Å |
| 323 | R | 42.7 | Very low | 41 | Very low | 239 Ų | 239 | 152.2 Ų | 152.2 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -125.8 | 112.7 | 165.4 | -161.2 | 174.7 | -146.5 | -111.9 | 1.4 | 109.7 | S321 | S321-R323 PolarHBondContact O-N 2.99Š|
| 324 | A | 37.1 | Very low | 40.5 | Very low | 100 Ų | 100 | 154 Ų | 154 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -62.5 | 142.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 325 | S | 31.2 | Very low | 40.6 | Very low | 123 Ų | 123 | 156.5 Ų | 156.5 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -113.8 | 112.9 | 164 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 326 | S | 38.2 | Very low | 40.8 | Very low | 109 Ų | 109 | 158.4 Ų | 158.4 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | -83.7 | 118.3 | -171.8 | 53 | 0 | 0 | 0 | 0 | 112.2 | | |
| 327 | L | 40.7 | Very low | 41.1 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | | | trans | 28.1 | 98.8 | 134.4 | -158.9 | 165.8 | 0 | 0 | 0 | 116.8 | | |
| 328 | D | 40.1 | Very low | 41.3 | Very low | 129 Ų | 129 | 156.5 Ų | 156.5 | 69% | 0.69 | 82% | 0.82 | S | S | * | * | | | trans | -133.7 | 107.9 | 141.4 | -172.8 | 2.3 | 0 | 0 | 0 | 109.4 | R330 | D328-R330 WeakPolarHBondContact OD1-CB 3.41Å; D328-R330 VanDerWaalsContact OD1-CG 3.31Å; D328-R330 WeakPolarHBondContact OD1-CG 3.46Å; D328-R330 PolarHBondContact OD1-N 2.75Å |
| 329 | T | 44.2 | Very low | 41.3 | Very low | 126 Ų | 126 | 157 Ų | 157 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | -101.9 | 54.9 | -179.8 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 330 | R | 44.6 | Very low | 41.5 | Very low | 224 Ų | 224 | 161.7 Ų | 161.7 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | | | trans | -103 | 84.6 | 177.7 | -81.1 | -179.2 | 160.4 | -179.2 | -3.4 | 114.2 | D328 | D328-R330 WeakPolarHBondContact OD1-CB 3.41Å; D328-R330 VanDerWaalsContact OD1-CG 3.31Å; D328-R330 WeakPolarHBondContact OD1-CG 3.46Å; D328-R330 PolarHBondContact OD1-N 2.75Å |
| 331 | G | 38.8 | Very low | 41.3 | Very low | 66 Ų | 66 | 166 Ų | 166 | 68% | 0.68 | 83% | 0.834 | S | S | * | * | | | trans | 71 | 77.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 332 | S | 35.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 171.8 Ų | 171.8 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | | | trans | -59.1 | 128.5 | 160.7 | -48.4 | 0 | 0 | 0 | 0 | 110.9 | K334 | S332-K334 PolarHBondContact O-N 3.5Š|
| 333 | P | 41 | Very low | 42 | Very low | 123 Ų | 123 | 167.6 Ų | 167.6 | 80% | 0.799 | 84% | 0.835 | S | S | * | * | | | trans | -59.8 | 128.2 | -178.6 | -28 | 36.3 | 0 | 0 | 0 | 113.6 | R335 | P333-R335 PolarHBondContact O-N 2.85Š|
| 334 | K | 40.1 | Very low | 41.5 | Very low | 204 Ų | 204 | 160.5 Ų | 160.5 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | | | trans | -61.7 | 107.3 | 179.1 | -73.6 | 179 | 176.7 | 175.1 | 0 | 111.1 | S332 R336 | S332-K334 PolarHBondContact O-N 3.5Å; K334-R336 PolarHBondContact O-N 3.41Å; K334-R336 VanDerWaalsContact O-N 3.07Å |
| 335 | R | 45 | Very low | 41.5 | Very low | 242 Ų | 242 | 161.4 Ų | 161.4 | 91% | 0.913 | 83% | 0.828 | S | S | * | * | | | trans | -62.2 | 109.3 | 163.4 | -65.9 | -179.4 | 74.8 | -170.6 | 5.6 | 108.4 | P333 | P333-R335 PolarHBondContact O-N 2.85Š|
| 336 | R | 49.8 | Very low | 41.9 | Very low | 229 Ų | 229 | 164.2 Ų | 164.2 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -57.4 | 139.6 | 173.2 | -78.3 | -173.2 | 171.5 | -141.5 | 1 | 109.9 | K334 F338 | K334-R336 PolarHBondContact O-N 3.41Å; K334-R336 VanDerWaalsContact O-N 3.07Å; R336-F338 PolarHBondContact O-N 2.88Å |
| 337 | Q | 45.3 | Very low | 42 | Very low | 187 Ų | 187 | 163.6 Ų | 163.6 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -70.6 | 127.2 | 168.7 | -66.6 | 179.4 | -4.4 | 0 | 0 | 108.8 | Q339 | Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 2.84Å |
| 338 | F | 41.4 | Very low | 42.2 | Very low | 207 Ų | 207 | 164.3 Ų | 164.3 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | | | trans | -76.6 | 83.3 | 173 | -80.3 | -86.1 | 0 | 0 | 0 | 110 | R336 R340 | R336-F338 PolarHBondContact O-N 2.88Å; F338-R340 PolarHBondContact O-N 3.29Å |
| 339 | Q | 42.7 | Very low | 42.4 | Very low | 181 Ų | 181 | 165.3 Ų | 165.3 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -65.3 | 98 | 169 | -177 | 168.2 | -8.6 | 0 | 0 | 108.7 | Q337 Q341 | Q337-Q339 VanDerWaalsContact C-N 3.29Å; Q337-Q339 PolarHBondContact O-N 2.84Å; Q339-Q341 PolarHBondContact O-N 3.35Å; Q339-Q341 VanDerWaalsContact O-N 3.1Å |
| 340 | R | 42.8 | Very low | 42 | Very low | 232 Ų | 232 | 166.1 Ų | 166.1 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | | | trans | -60.3 | 115.6 | 174.1 | -73.7 | -176.7 | 175.7 | -91.6 | 0.4 | 108.6 | F338 R342 | F338-R340 PolarHBondContact O-N 3.29Å; R340-R342 PolarHBondContact O-N 3.07Å |
| 341 | Q | 42.3 | Very low | 41.9 | Very low | 197 Ų | 197 | 162.6 Ų | 162.6 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -57.5 | 113.3 | 171.6 | -70 | 165.1 | -52.4 | 0 | 0 | 108.5 | Q339 | Q339-Q341 PolarHBondContact O-N 3.35Å; Q339-Q341 VanDerWaalsContact O-N 3.1Å |
| 342 | R | 50.5 | Low | 42.1 | Very low | 236 Ų | 236 | 165.6 Ų | 165.6 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 125.2 | 158.3 | -170.9 | -179.4 | -61.8 | -171.2 | 1.5 | 105.1 | R340 A344 | R340-R342 PolarHBondContact O-N 3.07Å; R342-A344 PolarHBondContact O-N 3.1Å |
| 343 | A | 47.4 | Very low | 42.4 | Very low | 98 Ų | 98 | 166.2 Ų | 166.2 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -57 | 132.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 344 | A | 34 | Very low | 42.7 | Very low | 90 Ų | 90 | 166.4 Ų | 166.4 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 120.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | R342 | R342-A344 PolarHBondContact O-N 3.1Š|
| 345 | S | 36.5 | Very low | 43.2 | Very low | 119 Ų | 119 | 163.3 Ų | 163.3 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -89 | 88.2 | 153.4 | 54.4 | 0 | 0 | 0 | 0 | 106.6 | S347 | S345-S347 PolarHBondContact O-N 2.71Š|
| 346 | E | 39.6 | Very low | 43.6 | Very low | 182 Ų | 182 | 158.8 Ų | 158.8 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | -74.6 | 112.8 | 172.7 | -177.1 | 177.1 | 160.9 | 0 | 0 | 108.5 | | |
| 347 | S | 39 | Very low | 43.6 | Very low | 97 Ų | 97 | 155.3 Ų | 155.3 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -126.7 | 118.9 | 167.5 | 57.9 | 0 | 0 | 0 | 0 | 108.2 | S345 | S345-S347 PolarHBondContact O-N 2.71Š|
| 348 | M | 46.3 | Very low | 43.7 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | | | trans | -91.1 | 103.2 | -175.2 | 174.2 | -171.1 | 72.5 | 0 | 0 | 109.2 | | |
| 349 | D | 43.2 | Very low | 44 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -108.7 | 120.7 | 164.5 | -67.5 | -54.9 | 0 | 0 | 0 | 108 | | |
| 350 | Q | 35.6 | Very low | 44.7 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | | | trans | -116.9 | 115.4 | -179.9 | 176 | 171 | 0.2 | 0 | 0 | 109.5 | D352 | Q350-D352 PolarHBondContact NE2-OD2 3.11Š|
| 351 | D | 43.3 | Very low | 45.2 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -132.8 | 99.8 | 170.9 | -88.7 | -52.4 | 0 | 0 | 0 | 109.5 | N353 | D351-N353 PolarHBondContact O-N 3.06Š|
| 352 | D | 42.8 | Very low | 45.5 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | | | trans | -85.7 | 74.1 | 177.1 | -77.8 | -70.9 | 0 | 0 | 0 | 111.8 | Q350 | Q350-D352 PolarHBondContact NE2-OD2 3.11Š|
| 353 | N | 42.3 | Very low | 45.2 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | trans | -149.8 | 141 | 165.2 | -64.3 | -79.1 | 0 | 0 | 0 | 108 | D351 | D351-N353 PolarHBondContact O-N 3.06Š|
| 354 | D | 46.3 | Very low | 45.3 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 68% | 0.679 | 71% | 0.706 | S | S | * | * | | | cis | -137.1 | 147.9 | 10.2 | -80.8 | -63.5 | 0 | 0 | 0 | 112.6 | H356 | D354-H356 PolarHBondContact O-N 3.17Š|
| 355 | T | 51.8 | Low | 45.7 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 28 | -169.9 | -35 | 0 | 0 | 0 | 0 | 115.6 | | |
| 356 | H | 53.7 | Low | 46 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 68% | 0.681 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 0.4 | -165.9 | -71.7 | -58.2 | 0 | 0 | 0 | 117.5 | D354 I358 | D354-H356 PolarHBondContact O-N 3.17Å; H356-I358 VanDerWaalsContact C-N 3.31Å; H356-I358 PolarHBondContact O-N 2.78Å |
| 357 | H | 48.7 | Very low | 46.3 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -2.7 | -175.4 | -102.8 | -63.4 | 0 | 0 | 0 | 116.7 | | |
| 358 | I | 47.4 | Very low | 46.4 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 72% | 0.723 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -36 | -173.2 | -75.5 | 172.7 | 0 | 0 | 0 | 113.6 | H356 | H356-I358 VanDerWaalsContact C-N 3.31Å; H356-I358 PolarHBondContact O-N 2.78Å |
| 359 | D | 48.3 | Very low | 45.6 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 63% | 0.631 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.5 | -34.5 | -175.3 | -74.8 | -37 | 0 | 0 | 0 | 113.6 | I361 Q362 Y363 | D359-I361 VanDerWaalsContact C-N 3.29Å; D359-I361 PolarHBondContact O-N 3.07Å; D359-Q362 PolarHBondContact O-N 2.98Å; D359-Q362 VanDerWaalsContact O-N 3.1Å; D359-Y363 PolarHBondContact O-N 2.76Å |
| 360 | L | 56.7 | Low | 45.2 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -63.2 | -35.2 | -176.5 | -173.8 | 62.5 | 0 | 0 | 0 | 112.6 | Q362 Y363 I364 | L360-Q362 VanDerWaalsContact C-N 3.33Å; L360-Y363 PolarHBondContact O-N 3.05Å; L360-I364 HydrophobicContact CG-CD1 4.37Å; L360-I364 WeakPolarHBondContact O-CG1 3.35Å; L360-I364 PolarHBondContact O-N 3.37Å |
| 361 | I | 52.6 | Low | 45.4 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70.7 | -33.1 | 178.2 | -59.1 | 178.7 | 0 | 0 | 0 | 110.5 | D359 | D359-I361 VanDerWaalsContact C-N 3.29Å; D359-I361 PolarHBondContact O-N 3.07Å |
| 362 | Q | 48.7 | Very low | 44.6 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 51% | 0.505 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -82.6 | -17.4 | 177.2 | -144.8 | -173 | 93.2 | 0 | 0 | 113.5 | D359 L360 R366 | D359-Q362 PolarHBondContact O-N 2.98Å; D359-Q362 VanDerWaalsContact O-N 3.1Å; L360-Q362 VanDerWaalsContact C-N 3.33Å; Q362-R366 WeakPolarHBondContact O-CG 3.29Å |
| 363 | Y | 45.5 | Very low | 44 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 65% | 0.647 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -71.6 | -49.3 | 171.2 | -174.3 | -103.4 | 0 | 0 | 0 | 111.6 | D359 L360 A365 R366 | D359-Y363 PolarHBondContact O-N 2.76Å; L360-Y363 PolarHBondContact O-N 3.05Å; Y363-A365 PolarHBondContact O-N 2.88Å; Y363-R366 PolarHBondContact O-N 3.16Å |
| 364 | I | 48.8 | Very low | 43.2 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 61% | 0.61 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -63.9 | -28.3 | -177.5 | -64.3 | 166.1 | 0 | 0 | 0 | 112.1 | L360 R366 | L360-I364 HydrophobicContact CG-CD1 4.37Å; L360-I364 WeakPolarHBondContact O-CG1 3.35Å; L360-I364 PolarHBondContact O-N 3.37Å; I364-R366 VanDerWaalsContact C-N 3.34Å; I364-R366 PolarHBondContact O-N 3Å |
| 365 | A | 43.1 | Very low | 42.2 | Very low | 85 Ų | 85 | 141.9 Ų | 141.9 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 0.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y363 | Y363-A365 PolarHBondContact O-N 2.88Š|
| 366 | R | 42.8 | Very low | 41.2 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 3.3 | -176.9 | -68 | -176.3 | -169.2 | -143.6 | 12.2 | 115 | Q362 Y363 I364 | Q362-R366 WeakPolarHBondContact O-CG 3.29Å; Y363-R366 PolarHBondContact O-N 3.16Å; I364-R366 VanDerWaalsContact C-N 3.34Å; I364-R366 PolarHBondContact O-N 3Å |
| 367 | T | 45.5 | Very low | 40.2 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 53% | 0.534 | 72% | 0.716 | S | S | . | * | | | trans | -124.1 | 64.9 | -171.9 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 368 | Q | 40.2 | Very low | 39.2 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -153.3 | 135.6 | 155.6 | -123 | 130.8 | 103 | 0 | 0 | 110.8 | | |
| 369 | D | 30.5 | Very low | 38.4 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 67.9 | 154.6 | 174.5 | -59.3 | -22.5 | 0 | 0 | 0 | 120.7 | | |
| 370 | V | 33.7 | Very low | 37.5 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 87% | 0.873 | 73% | 0.726 | S | S | * | * | | | trans | 80.9 | 129.6 | -173.3 | -171.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 371 | P | 41.6 | Very low | 36.3 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | | | trans | -107.2 | 164.8 | -150.5 | 40.8 | -36.2 | 0 | 0 | 0 | 116 | | |
| 372 | Y | 26.7 | Very low | 35.3 | Very low | 229 Ų | 229 | 149.1 Ų | 149.1 | 90% | 0.898 | 75% | 0.75 | S | S | * | * | | | trans | -120.7 | 129 | 162.1 | -109.5 | -95.2 | 0 | 0 | 0 | 111.1 | | |
| 373 | Y | 28.3 | Very low | 34.6 | Very low | 212 Ų | 212 | 149.3 Ų | 149.3 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | | | trans | -90.1 | 144.7 | 166.4 | -89.6 | -95.7 | 0 | 0 | 0 | 109.9 | | |
| 374 | Q | 25.9 | Very low | 34.3 | Very low | 169 Ų | 169 | 147.2 Ų | 147.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -152.8 | 127.7 | 148.5 | -157.9 | 74.4 | 19.5 | 0 | 0 | 111.2 | | |
| 375 | S | 25.8 | Very low | 34 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | 45.7 | 103.2 | 159.4 | 56.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 376 | Q | 31.1 | Very low | 33.3 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -65.2 | 165.3 | 143 | -67.5 | 177.4 | -37.1 | 0 | 0 | 111.1 | | |
| 377 | P | 32.2 | Very low | 32.9 | Very low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | | | trans | -126.4 | 137.6 | 135.2 | 35.1 | -26.2 | 0 | 0 | 0 | 112.6 | | |
| 378 | T | 28.8 | Very low | 33 | Very low | 125 Ų | 125 | 147 Ų | 147 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | | | trans | 68.8 | 120.1 | 150.3 | -52.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 379 | T | 29.5 | Very low | 32.6 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | | | cis | -160.9 | 155.9 | 27.6 | -12.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 380 | R | 30.3 | Very low | 33.3 | Very low | 224 Ų | 224 | 142.4 Ų | 142.4 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | 27.9 | 121.3 | 141.4 | -70.6 | 173.6 | -166.5 | -165.1 | 3.1 | 117.4 | | |
| 381 | L | 31.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | cis | -167.1 | -176.3 | 49.8 | -115.4 | 159.1 | 0 | 0 | 0 | 112.4 | | |
| 382 | L | 30 | Very low | 32.4 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | -87.4 | 155.4 | -174 | -69.6 | 162 | 0 | 0 | 0 | 114.3 | | |
| 383 | S | 35.2 | Very low | 32.5 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -68.8 | 167 | 174.1 | -35.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 384 | P | 38.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | | -135.8 | 158.6 | 121.1 | 37.8 | -29.1 | 0 | 0 | 0 | 114.4 | | |
| 385 | P | 43.7 | Very low | 32.5 | Very low | 127 Ų | 127 | 132.3 Ų | 132.3 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -100.3 | 156.1 | 175.8 | 38.4 | -33.5 | 0 | 0 | 0 | 113.5 | | |
| 386 | S | 26.8 | Very low | 32.6 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -168.6 | 155.1 | 147.7 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 387 | T | 35.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | | | trans | -88.4 | -172.6 | 163.6 | 58.3 | 0 | 0 | 0 | 0 | 110 | | |
| 388 | P | 46.7 | Very low | 32.5 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | | -120.3 | 172.1 | -93.1 | 38.6 | -23.4 | 0 | 0 | 0 | 113.7 | | |
| 389 | P | 31.6 | Very low | 32.5 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | | | trans | -106.6 | 124.2 | 164.7 | 34.6 | -25.4 | 0 | 0 | 0 | 112.9 | | |
| 390 | P | 45.2 | Very low | 32.4 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | | | trans | -83.6 | -159.6 | 152.2 | 38.3 | -34 | 0 | 0 | 0 | 109.4 | | |
| 391 | S | 26 | Very low | 32.2 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | 74.1 | 146.3 | 174.8 | 81.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 392 | L | 31.8 | Very low | 32.3 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | cis | -152.6 | 149.3 | -12 | -120.2 | 166.7 | 0 | 0 | 0 | 108.2 | | |
| 393 | G | 28.1 | Very low | 32.4 | Very low | 56 Ų | 56 | 125.6 Ų | 125.6 | 58% | 0.577 | 74% | 0.743 | S | S | * | * | | | trans | -83.1 | -176.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 394 | R | 26.8 | Very low | 31.7 | Very low | 218 Ų | 218 | 124.5 Ų | 124.5 | 82% | 0.823 | 74% | 0.735 | S | S | * | * | | | trans | 78.1 | 137.9 | 174.6 | -155.6 | 172.7 | -175.5 | 152.9 | 12.1 | 113 | E396 | R394-E396 IonicContact CZ-OE1 3.39Å; R394-E396 IonicContact NE-OE1 3.26Å; R394-E396 PolarHBondContact NE-OE1 3.26Å; R394-E396 IonicContact NH2-OE1 2.84Å; R394-E396 PolarHBondContact NH2-OE1 3.39Å; R394-E396 IonicContact NH2-OE2 2.99Å |
| 395 | V | 26.4 | Very low | 31.1 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | | | cis | 173.6 | -160.4 | -9 | 72.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 396 | E | 29.1 | Very low | 30.2 | Very low | 110 Ų | 110 | 124 Ų | 124 | 51% | 0.514 | 74% | 0.737 | S | S | . | * | | | cis | -148 | 107.1 | -9.7 | -111.7 | 121.4 | -142.5 | 0 | 0 | 105.3 | R394 | R394-E396 IonicContact CZ-OE1 3.39Å; R394-E396 IonicContact NE-OE1 3.26Å; R394-E396 PolarHBondContact NE-OE1 3.26Å; R394-E396 IonicContact NH2-OE1 2.84Å; R394-E396 PolarHBondContact NH2-OE1 3.39Å; R394-E396 IonicContact NH2-OE2 2.99Å |
| 397 | V | 32.5 | Very low | 30.1 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | | | trans | -154.9 | 88.4 | 155.6 | -175.5 | 0 | 0 | 0 | 0 | 106.4 | | |
| 398 | E | 29.3 | Very low | 29.7 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | cis | 60.8 | 86.8 | 40.9 | -160.6 | -179.8 | -141.7 | 0 | 0 | 113.7 | V400 | E398-V400 HydrophobicContact CG-CG2 4.34Š|
| 399 | V | 27.1 | Very low | 28.8 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -127.7 | 99.1 | 135.6 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | | |
| 400 | V | 28.6 | Very low | 29.1 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 65% | 0.648 | 75% | 0.752 | S | S | * | * | | | trans | -63.7 | 145.3 | 160.7 | 172.4 | 0 | 0 | 0 | 0 | 108.3 | E398 | E398-V400 HydrophobicContact CG-CG2 4.34Š|
| 401 | V | 25.8 | Very low | 28.4 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | | | trans | 172.1 | 110.6 | 142.6 | 146.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 402 | E | 33.6 | Very low | 28.8 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | -72 | 141.3 | 138.8 | -137.9 | -154.6 | 132.7 | 0 | 0 | 105.6 | | |
| 403 | P | 31.9 | Very low | 28.7 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | | | | -162.5 | -162.3 | 75 | 42.4 | -18.6 | 0 | 0 | 0 | 115.9 | | |
| 404 | S | 21 | Very low | 28.7 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | trans | 71.4 | 110.9 | 138.3 | -67.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 405 | C | 25.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | | 39.5 | 110 | 108.3 | -50.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 406 | S | 23.9 | Very low | 28.7 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | -167.7 | 137.5 | 131.4 | 34.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 407 | R | 25.6 | Very low | 29.2 | Very low | 250 Ų | 250 | 124.6 Ų | 124.6 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | | | cis | 66.9 | 85.4 | 43.9 | -172.9 | 176.3 | -90.4 | -114.7 | 0.2 | 112.7 | | |
| 408 | G | 27.5 | Very low | 29 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | | | trans | -174.8 | 86.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 409 | G | 27.4 | Very low | 29.5 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -77.8 | -172.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 410 | P | 38.8 | Very low | 29.4 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | cis | -139 | 177.8 | 30.4 | 41 | -23.1 | 0 | 0 | 0 | 116.5 | | |
| 411 | G | 30.1 | Very low | 29.4 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | | | trans | 136.7 | 75.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 412 | V | 33.3 | Very low | 29.5 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | | 63.5 | 115.2 | 75.7 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 413 | I | 29.6 | Very low | 29.2 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | | | cis | -141.1 | 150.4 | 34.7 | -51.8 | 166 | 0 | 0 | 0 | 109.5 | | |
| 414 | G | 28 | Very low | 28.8 | Very low | 59 Ų | 59 | 126.3 Ų | 126.3 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | | | cis | 151.9 | 156.5 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 415 | L | 27.1 | Very low | 29 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | | | trans | 67.4 | 150.2 | 160.6 | -52.4 | -178.6 | 0 | 0 | 0 | 118.7 | | |
| 416 | S | 26.4 | Very low | 29.1 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | cis | 176.6 | 173 | -19.6 | -161.3 | 0 | 0 | 0 | 0 | 108 | | |
| 417 | P | 40.3 | Very low | 29.3 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -117.6 | -167.2 | -57.6 | 38.8 | -23.6 | 0 | 0 | 0 | 113.5 | | |
| 418 | D | 27.5 | Very low | 29.4 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -48.4 | 159.2 | 175.6 | -151.8 | 49.4 | 0 | 0 | 0 | 116.8 | Q420 | D418-Q420 PolarHBondContact OD2-N 2.91Š|
| 419 | P | 39.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | | -140 | 165.1 | 88.1 | 41.3 | -29.1 | 0 | 0 | 0 | 117.5 | | |
| 420 | Q | 26.5 | Very low | 29.3 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | trans | -26.1 | 161.9 | 151.5 | -57.1 | 168.6 | -105.8 | 0 | 0 | 115.8 | D418 | D418-Q420 PolarHBondContact OD2-N 2.91Š|
| 421 | E | 27.2 | Very low | 28.8 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | cis | -165.5 | -168.9 | 36.2 | -154.3 | 145.4 | -120.3 | 0 | 0 | 113.6 | | |
| 422 | E | 28.6 | Very low | 28.7 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | | | trans | -42.2 | 160.2 | 171.4 | -49.9 | 171 | 162.1 | 0 | 0 | 115.6 | | |
| 423 | T | 26.5 | Very low | 28.6 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | | | cis | -175.9 | 160.5 | 48.9 | 13.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 424 | L | 25.3 | Very low | 28.9 | Very low | 157 Ų | 157 | 132.9 Ų | 132.9 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | 29 | 167.4 | 135.5 | -58.3 | 175 | 0 | 0 | 0 | 125 | | |
| 425 | S | 24.7 | Very low | 29.6 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | 82.6 | 131.2 | 170.2 | 72.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 426 | V | 26.9 | Very low | 29.7 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | cis | 91.5 | 141.8 | 29.7 | -179.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 427 | V | 27.8 | Very low | 30 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | | | trans | 88.7 | 98 | -178.8 | -166.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 428 | R | 27.7 | Very low | 29.5 | Very low | 231 Ų | 231 | 136.3 Ų | 136.3 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | | 37.4 | 147.1 | 114.9 | -147.6 | -175.4 | -161.5 | 138.5 | 2.3 | 120.4 | | |
| 429 | T | 27.1 | Very low | 29.9 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | | | trans | 110.4 | 99.1 | 148 | -52.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 430 | E | 26.9 | Very low | 30 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | | 57.2 | 138.6 | 124.8 | -156 | 165.8 | -142.3 | 0 | 0 | 121.7 | | |
| 431 | G | 27.3 | Very low | 30.7 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | | | trans | 113.5 | 106.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 432 | G | 29.9 | Very low | 31.7 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | -112.3 | 147 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 433 | Y | 29.8 | Very low | 32.8 | Very low | 222 Ų | 222 | 132 Ų | 132 | 87% | 0.871 | 74% | 0.744 | S | S | * | * | | | trans | -152.1 | 142.3 | 166.8 | 17.1 | -95.4 | 0 | 0 | 0 | 110.6 | | |
| 434 | S | 36.1 | Very low | 34.1 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | | | trans | -142.6 | 132.8 | 170.4 | -171.2 | 0 | 0 | 0 | 0 | 105.2 | | |
| 435 | P | 42.3 | Very low | 35.6 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | | -138 | -175.2 | 81.4 | 43.9 | -29 | 0 | 0 | 0 | 111.5 | | |
| 436 | D | 29 | Very low | 37.5 | Very low | 109 Ų | 109 | 127.8 Ų | 127.8 | 58% | 0.583 | 71% | 0.709 | S | S | * | * | | | cis | -151.2 | 149.8 | 11.1 | -151.1 | -25.9 | 0 | 0 | 0 | 111.7 | F438 | D436-F438 VanDerWaalsContact CG-CE2 3.49Å; D436-F438 WeakPolarHBondContact OD1-CD2 3.5Å; D436-F438 VanDerWaalsContact OD1-CE2 3.3Å; D436-F438 WeakPolarHBondContact OD1-CE2 3.25Å; D436-F438 WeakPolarHBondContact OD2-CE2 3.44Å |
| 437 | S | 32.5 | Very low | 38.7 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | | | trans | -167.8 | 83.9 | 168.8 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | Q439 | S437-Q439 PolarHBondContact O-N 3.35Å; S437-Q439 VanDerWaalsContact O-N 3.11Å |
| 438 | F | 30.8 | Very low | 40.6 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 79% | 0.794 | 70% | 0.695 | S | S | * | * | | | trans | -64.1 | 108.6 | -177 | -71.7 | -76.5 | 0 | 0 | 0 | 113.7 | D436 | D436-F438 VanDerWaalsContact CG-CE2 3.49Å; D436-F438 WeakPolarHBondContact OD1-CD2 3.5Å; D436-F438 VanDerWaalsContact OD1-CE2 3.3Å; D436-F438 WeakPolarHBondContact OD1-CE2 3.25Å; D436-F438 WeakPolarHBondContact OD2-CE2 3.44Å |
| 439 | Q | 35.1 | Very low | 42.8 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | | | trans | -130.7 | 148.3 | 151.5 | -103.1 | -161.7 | -13.2 | 0 | 0 | 110.1 | S437 Q441 | S437-Q439 PolarHBondContact O-N 3.35Å; S437-Q439 VanDerWaalsContact O-N 3.11Å; Q439-Q441 PolarHBondContact O-N 2.8Å |
| 440 | P | 41.3 | Very low | 45.5 | Very low | 105 Ų | 105 | 124.3 Ų | 124.3 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | | | trans | -78 | 99.1 | -161.4 | 30.1 | -35.9 | 0 | 0 | 0 | 113.3 | | |
| 441 | Q | 41.8 | Very low | 47.9 | Very low | 136 Ų | 136 | 121.2 Ų | 121.2 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | | | trans | -93.6 | -14.9 | 164.2 | -76.7 | -69 | -38.1 | 0 | 0 | 112.7 | Q439 S443 Q444 S445 | Q439-Q441 PolarHBondContact O-N 2.8Å; Q441-S443 PolarHBondContact O-N 2.81Å; Q441-Q444 PolarHBondContact O-N 3.5Å; Q441-S445 PolarHBondContact O-N 3.31Å |
| 442 | D | 49 | Very low | 50.3 | Low | 110 Ų | 110 | 122.5 Ų | 122.5 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.8 | -26.8 | -166.8 | -50.5 | -60.7 | 0 | 0 | 0 | 114 | Q444 S445 L446 | D442-Q444 VanDerWaalsContact C-N 3.28Å; D442-Q444 PolarHBondContact O-N 2.85Å; D442-S445 WeakPolarHBondContact CA-OG 3.33Å; D442-S445 PolarHBondContact O-OG 2.91Å; D442-L446 WeakPolarHBondContact O-CB 3.39Å; D442-L446 PolarHBondContact O-N 3.45Å |
| 443 | S | 50 | Low | 52.8 | Low | 89 Ų | 89 | 124.7 Ų | 124.7 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.9 | -23.8 | 177.3 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | Q441 | Q441-S443 PolarHBondContact O-N 2.81Å |
| 444 | Q | 54.4 | Low | 55.4 | Low | 126 Ų | 126 | 120 Ų | 120 | 59% | 0.589 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -95.5 | -34.9 | 176.9 | -65.2 | -164 | 17.6 | 0 | 0 | 112.9 | Q441 D442 R448 | Q441-Q444 PolarHBondContact O-N 3.5Å; D442-Q444 VanDerWaalsContact C-N 3.28Å; D442-Q444 PolarHBondContact O-N 2.85Å; Q444-R448 PolarHBondContact O-N 3.05Å; Q444-R448 VanDerWaalsContact O-N 3.09Å |
| 445 | S | 56.9 | Low | 57.4 | Low | 53 Ų | 53 | 116.9 Ų | 116.9 | 37% | 0.371 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.8 | -50.3 | 171.5 | 51.5 | 0 | 0 | 0 | 0 | 110.8 | Q441 D442 Y447 R448 D449 | Q441-S445 PolarHBondContact O-N 3.31Å; D442-S445 WeakPolarHBondContact CA-OG 3.33Å; D442-S445 PolarHBondContact O-OG 2.91Å; S445-Y447 VanDerWaalsContact C-N 3.26Å; S445-Y447 PolarHBondContact O-N 3.06Å; S445-R448 CarbonylContact O-C 3.59Å; S445-R448 WeakPolarHBondContact O-CA 3.39Å; S445-R448 WeakPolarHBondContact O-CB 3.3Å; S445-R448 PolarHBondContact O-N 3.35Å; S445-D449 PolarHBondContact O-N 3.15Å |
| 446 | L | 64.1 | Low | 59 | Low | 111 Ų | 111 | 113.7 Ų | 113.7 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.6 | -36.2 | 178.7 | -166.2 | 103.2 | 0 | 0 | 0 | 112.1 | D442 D449 I450 | D442-L446 WeakPolarHBondContact O-CB 3.39Å; D442-L446 PolarHBondContact O-N 3.45Å; L446-D449 PolarHBondContact O-N 3.49Å; L446-I450 HydrophobicContact CD2-CD1 3.89Å; L446-I450 HydrophobicContact CG-CD1 4.1Å; L446-I450 WeakPolarHBondContact O-CB 3.08Å; L446-I450 WeakPolarHBondContact O-CD1 3.44Å; L446-I450 WeakPolarHBondContact O-CG1 3.38Å; L446-I450 PolarHBondContact O-N 3.24Å |
| 447 | Y | 52.9 | Low | 61.3 | Low | 152 Ų | 152 | 114.2 Ų | 114.2 | 60% | 0.596 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.7 | -44.1 | 174.4 | -143.1 | -108.3 | 0 | 0 | 0 | 111.3 | S445 I450 W451 | S445-Y447 VanDerWaalsContact C-N 3.26Å; S445-Y447 PolarHBondContact O-N 3.06Å; Y447-I450 PolarHBondContact O-N 2.94Å; Y447-W451 AromaticContact CD1-CD1 3.71Å; Y447-W451 AromaticContact CD1-NE1 3.49Å; Y447-W451 AromaticContact CE1-CD1 3.96Å; Y447-W451 AromaticContact CE1-NE1 3.24Å; Y447-W451 AromaticContact CZ-NE1 3.97Å; Y447-W451 PolarHBondContact O-N 3.39Å; Y447-W451 VanDerWaalsContact O-N 3.09Å |
| 448 | R | 67.1 | Low | 63.4 | Low | 182 Ų | 182 | 113.8 Ų | 113.8 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.3 | -42.7 | 173.5 | -100.4 | 178.5 | 162.9 | 131.8 | -6.3 | 112.3 | Q444 S445 W451 T452 | Q444-R448 PolarHBondContact O-N 3.05Å; Q444-R448 VanDerWaalsContact O-N 3.09Å; S445-R448 CarbonylContact O-C 3.59Å; S445-R448 WeakPolarHBondContact O-CA 3.39Å; S445-R448 WeakPolarHBondContact O-CB 3.3Å; S445-R448 PolarHBondContact O-N 3.35Å; R448-W451 PolarHBondContact O-N 3.37Å; R448-T452 WeakPolarHBondContact O-CB 3.35Å; R448-T452 PolarHBondContact O-N 2.97Å; R448-T452 PolarHBondContact O-OG1 3.23Å |
| 449 | D | 74.4 | Confident | 64.8 | Low | 103 Ų | 103 | 111.8 Ų | 111.8 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.2 | -40.5 | 178.5 | -73.3 | -16.8 | 0 | 0 | 0 | 111.2 | S445 L446 W451 T452 L453 | S445-D449 PolarHBondContact O-N 3.15Å; L446-D449 PolarHBondContact O-N 3.49Å; D449-W451 VanDerWaalsContact C-N 3.34Å; D449-W451 PolarHBondContact O-N 2.79Å; D449-T452 PolarHBondContact O-N 3Å; D449-L453 WeakPolarHBondContact O-CB 3.21Å; D449-L453 PolarHBondContact O-N 3.39Å |
| 450 | I | 84.4 | Confident | 66.2 | Low | 84 Ų | 84 | 111.4 Ų | 111.4 | 43% | 0.431 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.5 | -42.2 | 173.8 | -71.7 | 163.2 | 0 | 0 | 0 | 111.3 | L446 Y447 R454 | L446-I450 HydrophobicContact CD2-CD1 3.89Å; L446-I450 HydrophobicContact CG-CD1 4.1Å; L446-I450 WeakPolarHBondContact O-CB 3.08Å; L446-I450 WeakPolarHBondContact O-CD1 3.44Å; L446-I450 WeakPolarHBondContact O-CG1 3.38Å; L446-I450 PolarHBondContact O-N 3.24Å; Y447-I450 PolarHBondContact O-N 2.94Å; I450-R454 VanDerWaalsContact O-CB 3.23Å; I450-R454 WeakPolarHBondContact O-CB 3.5Å; I450-R454 PolarHBondContact O-N 3.09Å |
| 451 | W | 76.6 | Confident | 67.2 | Low | 128 Ų | 128 | 109 Ų | 109 | 49% | 0.485 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 176.1 | -75.8 | 106.8 | 0 | 0 | 0 | 112.9 | Y447 R448 D449 R454 A455 | Y447-W451 AromaticContact CD1-CD1 3.71Å; Y447-W451 AromaticContact CD1-NE1 3.49Å; Y447-W451 AromaticContact CE1-CD1 3.96Å; Y447-W451 AromaticContact CE1-NE1 3.24Å; Y447-W451 AromaticContact CZ-NE1 3.97Å; Y447-W451 PolarHBondContact O-N 3.39Å; Y447-W451 VanDerWaalsContact O-N 3.09Å; R448-W451 PolarHBondContact O-N 3.37Å; D449-W451 VanDerWaalsContact C-N 3.34Å; D449-W451 PolarHBondContact O-N 2.79Å; W451-R454 PolarHBondContact O-N 2.73Å; W451-A455 PolarHBondContact O-N 3.33Å |
| 452 | T | 78.4 | Confident | 67.7 | Low | 89 Ų | 89 | 105.3 Ų | 105.3 | 55% | 0.546 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.2 | -43.2 | -179.9 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | R448 D449 R454 A455 S456 | R448-T452 WeakPolarHBondContact O-CB 3.35Å; R448-T452 PolarHBondContact O-N 2.97Å; R448-T452 PolarHBondContact O-OG1 3.23Å; D449-T452 PolarHBondContact O-N 3Å; T452-R454 VanDerWaalsContact C-N 3.31Å; T452-R454 PolarHBondContact O-N 2.86Å; T452-A455 PolarHBondContact O-N 3.02Å; T452-S456 WeakPolarHBondContact O-CB 3.12Å; T452-S456 PolarHBondContact O-N 3.09Å |
| 453 | L | 82.6 | Confident | 67.6 | Low | 122 Ų | 122 | 103.3 Ų | 103.3 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.7 | -42.6 | 171.2 | 179.1 | 64.4 | 0 | 0 | 0 | 111 | D449 S456 L457 | D449-L453 WeakPolarHBondContact O-CB 3.21Å; D449-L453 PolarHBondContact O-N 3.39Å; L453-S456 PolarHBondContact O-N 2.83Å; L453-L457 VanDerWaalsContact O-CB 3.3Å; L453-L457 WeakPolarHBondContact O-CB 3.27Å; L453-L457 PolarHBondContact O-N 2.88Å |
| 454 | R | 84.5 | Confident | 67.8 | Low | 124 Ų | 124 | 105.2 Ų | 105.2 | 47% | 0.468 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 177.4 | -166.6 | 178.4 | -155.8 | 150.7 | 11.5 | 112.4 | I450 W451 T452 L457 E458 | I450-R454 VanDerWaalsContact O-CB 3.23Å; I450-R454 WeakPolarHBondContact O-CB 3.5Å; I450-R454 PolarHBondContact O-N 3.09Å; W451-R454 PolarHBondContact O-N 2.73Å; T452-R454 VanDerWaalsContact C-N 3.31Å; T452-R454 PolarHBondContact O-N 2.86Å; R454-L457 PolarHBondContact O-N 3.46Å; R454-E458 PolarHBondContact O-N 3.39Å |
| 455 | A | 76.9 | Confident | 67.8 | Low | 47 Ų | 47 | 107.4 Ų | 107.4 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W451 T452 E458 Q459 | W451-A455 PolarHBondContact O-N 3.33Å; T452-A455 PolarHBondContact O-N 3.02Å; A455-E458 PolarHBondContact O-N 3.08Å; A455-Q459 WeakPolarHBondContact O-CG 3.18Å; A455-Q459 PolarHBondContact O-N 3.08Å |
| 456 | S | 75.8 | Confident | 67.3 | Low | 47 Ų | 47 | 109.6 Ų | 109.6 | 33% | 0.329 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.4 | -38.7 | 175.7 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | T452 L453 Q459 Y460 | T452-S456 WeakPolarHBondContact O-CB 3.12Å; T452-S456 PolarHBondContact O-N 3.09Å; L453-S456 PolarHBondContact O-N 2.83Å; S456-Q459 WeakPolarHBondContact O-CB 3.33Å; S456-Q459 PolarHBondContact O-N 2.96Å; S456-Y460 WeakPolarHBondContact O-CD2 3.32Å; S456-Y460 PolarHBondContact O-N 3.2Å |
| 457 | L | 78 | Confident | 66.5 | Low | 119 Ų | 119 | 109 Ų | 109 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.9 | -39.8 | 175.5 | -162.1 | 78.4 | 0 | 0 | 0 | 112.3 | L453 R454 Q459 Y460 A461 | L453-L457 VanDerWaalsContact O-CB 3.3Å; L453-L457 WeakPolarHBondContact O-CB 3.27Å; L453-L457 PolarHBondContact O-N 2.88Å; R454-L457 PolarHBondContact O-N 3.46Å; L457-Q459 VanDerWaalsContact C-N 3.29Å; L457-Q459 PolarHBondContact O-N 2.83Å; L457-Y460 PolarHBondContact O-N 3.16Å; L457-A461 WeakPolarHBondContact O-CB 3.38Å; L457-A461 PolarHBondContact O-N 2.79Å |
| 458 | E | 75.6 | Confident | 66.2 | Low | 109 Ų | 109 | 108.3 Ų | 108.3 | 51% | 0.509 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.8 | -35.5 | 170.9 | -78.6 | -179.8 | 147.5 | 0 | 0 | 111.1 | R454 A455 A462 R667 | R454-E458 PolarHBondContact O-N 3.39Å; A455-E458 PolarHBondContact O-N 3.08Å; E458-A462 WeakPolarHBondContact O-CB 3.36Å; E458-A462 PolarHBondContact O-N 3.47Å; E458-R667 IonicContact OE1-NH2 2.87Å |
| 459 | Q | 62.1 | Low | 65.3 | Low | 140 Ų | 140 | 106.2 Ų | 106.2 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.5 | -42.8 | 173.1 | -75.1 | 178.6 | -38.2 | 0 | 0 | 113.3 | A455 S456 L457 A462 S463 | A455-Q459 WeakPolarHBondContact O-CG 3.18Å; A455-Q459 PolarHBondContact O-N 3.08Å; S456-Q459 WeakPolarHBondContact O-CB 3.33Å; S456-Q459 PolarHBondContact O-N 2.96Å; L457-Q459 VanDerWaalsContact C-N 3.29Å; L457-Q459 PolarHBondContact O-N 2.83Å; Q459-A462 PolarHBondContact O-N 3.34Å; Q459-S463 WeakPolarHBondContact O-CB 3.48Å; Q459-S463 PolarHBondContact O-N 3.25Å |
| 460 | Y | 63.6 | Low | 63.9 | Low | 164 Ų | 164 | 108.8 Ų | 108.8 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.4 | -43.8 | 175 | -88.5 | -74.4 | 0 | 0 | 0 | 111.9 | S456 L457 A462 S463 D464 | S456-Y460 WeakPolarHBondContact O-CD2 3.32Å; S456-Y460 PolarHBondContact O-N 3.2Å; L457-Y460 PolarHBondContact O-N 3.16Å; Y460-A462 VanDerWaalsContact C-N 3.3Å; Y460-A462 PolarHBondContact O-N 2.76Å; Y460-S463 WeakPolarHBondContact O-CB 3.33Å; Y460-S463 PolarHBondContact O-N 2.74Å; Y460-D464 PolarHBondContact O-N 3.34Å |
| 461 | A | 62.1 | Low | 62 | Low | 53 Ų | 53 | 116 Ų | 116 | 44% | 0.438 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.3 | -34.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L457 | L457-A461 WeakPolarHBondContact O-CB 3.38Å; L457-A461 PolarHBondContact O-N 2.79Å |
| 462 | A | 51.5 | Low | 60.3 | Low | 59 Ų | 59 | 116.6 Ų | 116.6 | 49% | 0.488 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71 | -36.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E458 Q459 Y460 Q465 S466 | E458-A462 WeakPolarHBondContact O-CB 3.36Å; E458-A462 PolarHBondContact O-N 3.47Å; Q459-A462 PolarHBondContact O-N 3.34Å; Y460-A462 VanDerWaalsContact C-N 3.3Å; Y460-A462 PolarHBondContact O-N 2.76Å; A462-Q465 PolarHBondContact O-N 3.42Å; A462-S466 VanDerWaalsContact O-CB 3.3Å; A462-S466 WeakPolarHBondContact O-CB 3.47Å; A462-S466 PolarHBondContact O-N 3.21Å |
| 463 | S | 48.6 | Very low | 58.5 | Low | 69 Ų | 69 | 117.7 Ų | 117.7 | 48% | 0.483 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.5 | -42.2 | 179.4 | -166.4 | 0 | 0 | 0 | 0 | 112.6 | Q459 Y460 Q465 S466 S467 | Q459-S463 WeakPolarHBondContact O-CB 3.48Å; Q459-S463 PolarHBondContact O-N 3.25Å; Y460-S463 WeakPolarHBondContact O-CB 3.33Å; Y460-S463 PolarHBondContact O-N 2.74Å; S463-Q465 VanDerWaalsContact C-N 3.31Å; S463-Q465 PolarHBondContact O-N 2.75Å; S463-S466 PolarHBondContact O-N 2.9Å; S463-S466 VanDerWaalsContact O-N 3.12Å; S463-S467 WeakPolarHBondContact O-CB 3.36Å; S463-S467 PolarHBondContact O-N 3.46Å; S463-S467 VanDerWaalsContact O-N 3.08Å |
| 464 | D | 53.8 | Low | 56.3 | Low | 128 Ų | 128 | 118 Ų | 118 | 68% | 0.684 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.1 | -39.1 | 176 | -88.9 | -14.6 | 0 | 0 | 0 | 111.8 | Y460 S466 | Y460-D464 PolarHBondContact O-N 3.34Å; D464-S466 VanDerWaalsContact C-N 3.34Å |
| 465 | Q | 53.3 | Low | 53.8 | Low | 172 Ų | 172 | 117.8 Ų | 117.8 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.2 | -25.9 | 174.8 | -65.4 | -175.3 | 26.2 | 0 | 0 | 112.7 | A462 S463 | A462-Q465 PolarHBondContact O-N 3.42Å; S463-Q465 VanDerWaalsContact C-N 3.31Å; S463-Q465 PolarHBondContact O-N 2.75Å |
| 466 | S | 47.1 | Very low | 51.9 | Low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81.2 | -15.3 | 177.5 | -170.9 | 0 | 0 | 0 | 0 | 114.2 | A462 S463 D464 | A462-S466 VanDerWaalsContact O-CB 3.3Å; A462-S466 WeakPolarHBondContact O-CB 3.47Å; A462-S466 PolarHBondContact O-N 3.21Å; S463-S466 PolarHBondContact O-N 2.9Å; S463-S466 VanDerWaalsContact O-N 3.12Å; D464-S466 VanDerWaalsContact C-N 3.34Å |
| 467 | S | 47.4 | Very low | 50 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -96.6 | -6.8 | -167.1 | -168.2 | 0 | 0 | 0 | 0 | 115.5 | S463 | S463-S467 WeakPolarHBondContact O-CB 3.36Å; S463-S467 PolarHBondContact O-N 3.46Å; S463-S467 VanDerWaalsContact O-N 3.08Å |
| 468 | N | 47.2 | Very low | 47.9 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | trans | -120 | 41.3 | -167 | -162.4 | 24.4 | 0 | 0 | 0 | 114.2 | | |
| 469 | N | 46.4 | Very low | 45.7 | Very low | 139 Ų | 139 | 127.4 Ų | 127.4 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | | | trans | -115.7 | 4.4 | -177.2 | -139.8 | 15.7 | 0 | 0 | 0 | 114.5 | | |
| 470 | D | 46.3 | Very low | 44.5 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | | | trans | -112.1 | 53 | 180 | -83.3 | -47 | 0 | 0 | 0 | 112.7 | | |
| 471 | R | 44.1 | Very low | 42.9 | Very low | 235 Ų | 235 | 123.8 Ų | 123.8 | 89% | 0.887 | 73% | 0.73 | S | S | * | * | | | trans | -130.8 | 58 | 164.5 | -79 | -157.1 | 167.2 | -168.1 | -2.9 | 113 | | |
| 472 | N | 41.8 | Very low | 41.3 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | -80 | 148.5 | 161.7 | -57.4 | -27.6 | 0 | 0 | 0 | 109.9 | | |
| 473 | S | 39.5 | Very low | 40.3 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | 92 | 144.5 | 164.2 | -153.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 474 | V | 35.8 | Very low | 39.4 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 78% | 0.782 | 78% | 0.775 | S | S | * | * | | | trans | 63.1 | 129.7 | 173.3 | -135.9 | 0 | 0 | 0 | 0 | 115 | | |
| 475 | C | 32.6 | Very low | 38.2 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | cis | -124.5 | 150.8 | 17.8 | -49.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 476 | S | 37.4 | Very low | 37.1 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | -115.7 | 173.4 | 151.4 | -62.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 477 | D | 35 | Very low | 36.4 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | | | trans | 73.3 | 88.2 | 161.3 | -57.8 | -9.9 | 0 | 0 | 0 | 119.6 | | |
| 478 | A | 34.2 | Very low | 35.7 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -165.6 | 132.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 479 | D | 30.9 | Very low | 34.8 | Very low | 165 Ų | 165 | 133.8 Ų | 133.8 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | | | cis | -142.7 | 164.1 | 5.6 | -90 | -46.3 | 0 | 0 | 0 | 112.7 | | |
| 480 | S | 36.2 | Very low | 33.9 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -111.8 | 161.3 | 160.1 | -159.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 481 | V | 30.6 | Very low | 33 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | | -164.4 | 153.9 | 55 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 482 | C | 28.6 | Very low | 32.3 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 72% | 0.723 | 77% | 0.768 | S | S | * | * | | | trans | -18.3 | 150.2 | 168.1 | -49.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 483 | S | 30.1 | Very low | 31.5 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | | -159.7 | 126.1 | 119.1 | -77.7 | 0 | 0 | 0 | 0 | 109 | | |
| 484 | L | 29.9 | Very low | 30.9 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 77% | 0.772 | S | S | * | * | | | cis | 98 | 93.7 | 40 | -177.3 | 62.2 | 0 | 0 | 0 | 113.4 | | |
| 485 | S | 28.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | -161.9 | 116.8 | 154.7 | -66.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 486 | V | 29.1 | Very low | 31.2 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | | | | 66.4 | 121.8 | 78.6 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 487 | R | 32 | Very low | 30.6 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | cis | -161.6 | -176 | 2.4 | -120.8 | 176.6 | 143.3 | 169.2 | -9.3 | 107.6 | D489 | R487-D489 IonicContact CZ-OD2 3.99Å; R487-D489 VanDerWaalsContact CZ-OD2 3.26Å; R487-D489 IonicContact NE-OD1 3.66Å; R487-D489 PolarHBondContact NE-OD1 3.25Å; R487-D489 IonicContact NE-OD2 2.79Å; R487-D489 PolarHBondContact NE-OD2 3.01Å; R487-D489 IonicContact NH2-OD2 2.73Å; R487-D489 PolarHBondContact NH2-OD2 3.13Å |
| 488 | T | 32.5 | Very low | 30.5 | Very low | 115 Ų | 115 | 132.2 Ų | 132.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | cis | -163.2 | 153.2 | 15.3 | 7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 489 | D | 28.5 | Very low | 30.7 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | | | cis | -157.4 | 172.7 | -26.1 | -111.7 | 6.9 | 0 | 0 | 0 | 108.3 | R487 | R487-D489 IonicContact CZ-OD2 3.99Å; R487-D489 VanDerWaalsContact CZ-OD2 3.26Å; R487-D489 IonicContact NE-OD1 3.66Å; R487-D489 PolarHBondContact NE-OD1 3.25Å; R487-D489 IonicContact NE-OD2 2.79Å; R487-D489 PolarHBondContact NE-OD2 3.01Å; R487-D489 IonicContact NH2-OD2 2.73Å; R487-D489 PolarHBondContact NH2-OD2 3.13Å |
| 490 | A | 29.1 | Very low | 30.5 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -52.3 | 169.9 | -180 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 491 | E | 26.7 | Very low | 30.2 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | 10.9 | 131.2 | 157.3 | -60.1 | -169.5 | 159.4 | 0 | 0 | 121 | | |
| 492 | R | 28.9 | Very low | 30 | Very low | 228 Ų | 228 | 133.9 Ų | 133.9 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | | -167.5 | 143.6 | 103.8 | -167.8 | 145.1 | -72 | -131.6 | -8.5 | 111.2 | | |
| 493 | G | 25.7 | Very low | 30.2 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -77.9 | 166.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 494 | G | 25.6 | Very low | 30.4 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | | | trans | 170.2 | 89.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 495 | L | 33.9 | Very low | 30.6 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | | | trans | -74.2 | 147.6 | 144.4 | -71.5 | 177 | 0 | 0 | 0 | 106.7 | | |
| 496 | P | 40.9 | Very low | 31 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | | | cis | -149.1 | -174.1 | 49.5 | 42.4 | -22.7 | 0 | 0 | 0 | 117.7 | | |
| 497 | S | 26.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | trans | 89.2 | 114 | 152.3 | -139.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 498 | Y | 31.9 | Very low | 32.1 | Very low | 217 Ų | 217 | 135.3 Ų | 135.3 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -57.6 | 156.7 | 142.2 | -78.7 | -88.1 | 0 | 0 | 0 | 109.9 | | |
| 499 | P | 38.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | | -150.5 | -160.6 | 60.6 | 42.8 | -21 | 0 | 0 | 0 | 116.3 | | |
| 500 | S | 27.2 | Very low | 32.2 | Very low | 99 Ų | 99 | 131.2 Ų | 131.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | 86.7 | 146.6 | 170.6 | -38.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 501 | Q | 29.6 | Very low | 32.7 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | cis | 67.8 | 142.5 | 32.9 | -77.1 | -178.6 | -53.5 | 0 | 0 | 113.4 | | |
| 502 | D | 26.9 | Very low | 33.5 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 67% | 0.668 | 79% | 0.786 | S | S | * | * | | | cis | -161.8 | 160 | -8.6 | -171.9 | 17.5 | 0 | 0 | 0 | 108.1 | | |
| 503 | L | 33.1 | Very low | 34 | Very low | 155 Ų | 155 | 130.2 Ų | 130.2 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | 57.4 | 167.6 | 173.9 | -66.7 | 156.6 | 0 | 0 | 0 | 115.2 | | |
| 504 | G | 33.2 | Very low | 34.6 | Very low | 61 Ų | 61 | 133.1 Ų | 133.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | cis | 115.8 | 97.5 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 505 | D | 35.6 | Very low | 34.8 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -161.4 | 157.5 | 154.7 | -138.2 | 21 | 0 | 0 | 0 | 113 | | |
| 506 | E | 36.6 | Very low | 34.4 | Very low | 166 Ų | 166 | 135 Ų | 135 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -73 | -165.9 | -175.4 | -33.4 | -63.9 | 88.7 | 0 | 0 | 112.4 | | |
| 507 | A | 43.9 | Very low | 33.8 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | | | cis | -165.4 | -167.6 | 7.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 508 | E | 38.9 | Very low | 33.9 | Very low | 202 Ų | 202 | 135.6 Ų | 135.6 | 94% | 0.944 | 75% | 0.745 | S | S | * | * | | | trans | 89.3 | 131.8 | 153 | -155.9 | 167.6 | -124.3 | 0 | 0 | 118 | | |
| 509 | G | 32.5 | Very low | 33.8 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | | | cis | 174.8 | 161.3 | -7.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 510 | G | 31.6 | Very low | 33.4 | Very low | 67 Ų | 67 | 134.2 Ų | 134.2 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | 106.2 | 94 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 511 | E | 39.5 | Very low | 33.5 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | | 77.8 | 87.2 | 74.9 | 88.1 | -171.9 | 169 | 0 | 0 | 111.9 | | |
| 512 | E | 42.8 | Very low | 33.6 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | | | | 94.8 | 118 | 75.4 | 86.6 | 159.8 | 118.5 | 0 | 0 | 114.5 | K514 | E512-K514 IonicContact OE2-NZ 2.7Å; E512-K514 PolarHBondContact OE2-NZ 3.04Å |
| 513 | D | 39.7 | Very low | 33.8 | Very low | 131 Ų | 131 | 139.4 Ų | 139.4 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | | -165.2 | 126.8 | 123.8 | -128.7 | -9.2 | 0 | 0 | 0 | 113.4 | | |
| 514 | K | 38.2 | Very low | 33.8 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | | | trans | 11.5 | 149.4 | 138.8 | -58.8 | 166.2 | -159.1 | 66.2 | 0 | 118.8 | E512 | E512-K514 IonicContact OE2-NZ 2.7Å; E512-K514 PolarHBondContact OE2-NZ 3.04Å |
| 515 | D | 29.5 | Very low | 33.5 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | | | cis | -175.2 | 177.5 | 1.1 | -119 | -33 | 0 | 0 | 0 | 109 | | |
| 516 | F | 25.3 | Very low | 33.3 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | | | cis | -161.5 | 111.6 | -8.1 | 178.9 | -93.8 | 0 | 0 | 0 | 110.6 | | |
| 517 | F | 29.4 | Very low | 32.9 | Very low | 168 Ų | 168 | 140 Ų | 140 | 74% | 0.737 | 75% | 0.753 | S | S | * | * | | | trans | 59.3 | 175.3 | 158.9 | -68.5 | -114.4 | 0 | 0 | 0 | 117.7 | | |
| 518 | A | 29.1 | Very low | 32.2 | Very low | 80 Ų | 80 | 143 Ų | 143 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | | | cis | -154.7 | 152.8 | 8.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 519 | Y | 28.7 | Very low | 31.7 | Very low | 215 Ų | 215 | 138.2 Ų | 138.2 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | | | trans | 61.1 | 115.9 | 141.8 | -88.6 | -109.6 | 0 | 0 | 0 | 124.5 | | |
| 520 | A | 31.1 | Very low | 31.5 | Very low | 86 Ų | 86 | 141.4 Ų | 141.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | | 60.7 | 125.7 | 117.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 521 | D | 28.2 | Very low | 31.5 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | | | trans | -70.5 | 129.3 | 144.9 | 171.9 | 33.1 | 0 | 0 | 0 | 110.4 | | |
| 522 | E | 32.1 | Very low | 31 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | | | trans | -178.9 | 132.6 | 132.6 | -107 | -164.6 | 165.9 | 0 | 0 | 109.4 | | |
| 523 | K | 31 | Very low | 30.5 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | -154.6 | 104.4 | 140.4 | -144.3 | 176 | -174.6 | -178.8 | 0 | 116.1 | | |
| 524 | L | 32.5 | Very low | 29.9 | Very low | 169 Ų | 169 | 150.5 Ų | 150.5 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | | | trans | -98.5 | 153.4 | 147.5 | -158.4 | 80.7 | 0 | 0 | 0 | 108.9 | | |
| 525 | G | 27.9 | Very low | 29.5 | Very low | 52 Ų | 52 | 146.6 Ų | 146.6 | 54% | 0.536 | 74% | 0.744 | S | S | . | * | | | trans | 86.2 | 114.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 526 | M | 30.1 | Very low | 29.6 | Very low | 177 Ų | 177 | 145 Ų | 145 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | | | | 62.4 | 137.7 | 122.6 | -128 | 66 | 158.9 | 0 | 0 | 123.8 | | |
| 527 | Q | 29.7 | Very low | 30.1 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | | | trans | 77.6 | 111 | 143.7 | -139.7 | 157.8 | 3.3 | 0 | 0 | 122.9 | | |
| 528 | E | 27.5 | Very low | 30.1 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | | | trans | 64.8 | 140.3 | 139.1 | -73.1 | 171.1 | -137.9 | 0 | 0 | 125.8 | | |
| 529 | S | 28.5 | Very low | 30.2 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | 104 | 109 | 140.8 | 78.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 530 | L | 30 | Very low | 30.6 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | | | trans | 56.7 | 113.9 | 142.4 | -79.9 | 81.6 | 0 | 0 | 0 | 122.7 | | |
| 531 | K | 31.2 | Very low | 30.9 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | | | | 79.8 | 112.8 | 123.3 | -75.3 | -174 | -172.8 | 167.7 | 0 | 121.9 | | |
| 532 | R | 29 | Very low | 31 | Very low | 209 Ų | 209 | 148.4 Ų | 148.4 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | | | | 92 | 132.4 | 128.8 | -67.5 | 171.8 | -59.9 | 177.7 | 1.3 | 120.3 | | |
| 533 | K | 31.7 | Very low | 30.9 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | | | trans | 71 | 153.2 | 140.3 | -77.8 | -167.6 | 172.5 | -164.2 | 0 | 117.9 | | |
| 534 | H | 28.1 | Very low | 31.1 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | cis | -170 | 156.7 | -24.5 | -160.3 | -89.7 | 0 | 0 | 0 | 109.3 | | |
| 535 | G | 29.1 | Very low | 31.2 | Very low | 58 Ų | 58 | 141.2 Ų | 141.2 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | | | trans | 122.7 | 118.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 536 | S | 30.6 | Very low | 31.7 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | cis | 73.8 | 128.8 | 49.2 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 537 | T | 35.7 | Very low | 32 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | cis | 149.8 | 150.1 | -15.9 | 33.6 | 0 | 0 | 0 | 0 | 105.6 | | |
| 538 | E | 29.8 | Very low | 32.7 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | | | trans | 101.4 | 151.4 | 175.1 | 102 | 174.6 | -157.4 | 0 | 0 | 114.9 | | |
| 539 | S | 31.8 | Very low | 33.2 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | cis | -171.2 | 134.1 | -23.8 | 151.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 540 | E | 38 | Very low | 34.3 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | trans | -157.5 | 164.4 | 142.6 | -122.5 | 177.7 | 152 | 0 | 0 | 113.7 | | |
| 541 | R | 35.5 | Very low | 35.5 | Very low | 243 Ų | 243 | 143.1 Ų | 143.1 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | -113.4 | 158.6 | -179.8 | -61.4 | 172.6 | 175.5 | 178.4 | -2.5 | 108.8 | | |
| 542 | G | 31.9 | Very low | 36.2 | Very low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | cis | 151.1 | -172.8 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 543 | S | 28.9 | Very low | 37.2 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | 90.7 | 132.9 | 170.8 | -160.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 544 | S | 35.2 | Very low | 37.8 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | 47.3 | 108.5 | 152 | 50.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 545 | D | 35.4 | Very low | 38.9 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | | 95.7 | 142.8 | 62.1 | -173.3 | 31.3 | 0 | 0 | 0 | 112.1 | | |
| 546 | G | 37.7 | Very low | 39.9 | Very low | 69 Ų | 69 | 147.8 Ų | 147.8 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | 140.1 | 115.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 547 | E | 37.8 | Very low | 40.7 | Very low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -78 | 154.7 | -172.7 | -56.8 | 158.9 | 97.6 | 0 | 0 | 114.9 | | |
| 548 | S | 42.5 | Very low | 41.1 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | | 177 | 100.1 | 119.7 | 39.7 | 0 | 0 | 0 | 0 | 113.1 | T550 | S548-T550 PolarHBondContact O-N 3.31Š|
| 549 | G | 39.5 | Very low | 41.7 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | -72.4 | 124.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | R551 | G549-R551 PolarHBondContact O-N 3.02Š|
| 550 | T | 51.3 | Low | 42.1 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -84.1 | 115.1 | -176 | 41.5 | 0 | 0 | 0 | 0 | 113.8 | S548 K552 | S548-T550 PolarHBondContact O-N 3.31Å; T550-K552 PolarHBondContact O-N 3.45Å |
| 551 | R | 53.8 | Low | 42.2 | Very low | 233 Ų | 233 | 144.4 Ų | 144.4 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | 15.6 | 99.4 | 144.6 | -52.4 | 177.8 | -168.8 | -123.8 | -4.2 | 115.6 | G549 L553 | G549-R551 PolarHBondContact O-N 3.02Å; R551-L553 PolarHBondContact O-N 3.47Å; R551-L553 VanDerWaalsContact O-N 3.17Å |
| 552 | K | 45.8 | Very low | 42.2 | Very low | 214 Ų | 214 | 138.3 Ų | 138.3 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | trans | -61.6 | 114.6 | 170.4 | -64.9 | 179.1 | -180 | 178.5 | 0 | 110.4 | T550 | T550-K552 PolarHBondContact O-N 3.45Š|
| 553 | L | 50.4 | Low | 42.7 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 88% | 0.88 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 146.3 | 164.9 | -71.7 | 173.6 | 0 | 0 | 0 | 109.7 | R551 Q555 | R551-L553 PolarHBondContact O-N 3.47Å; R551-L553 VanDerWaalsContact O-N 3.17Å; L553-Q555 PolarHBondContact O-N 2.87Å |
| 554 | L | 45.8 | Very low | 43.2 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 122 | 178.3 | -80.2 | 160.3 | 0 | 0 | 0 | 110.5 | | |
| 555 | Q | 50.7 | Low | 43.6 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -65 | 130.1 | 169.3 | 179.6 | 175.1 | -32.8 | 0 | 0 | 109.5 | L553 D557 | L553-Q555 PolarHBondContact O-N 2.87Å; Q555-D557 PolarHBondContact NE2-OD1 3.46Å |
| 556 | M | 49 | Very low | 43.8 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | | | trans | -113.4 | 107.7 | 171.3 | -78.4 | -176.8 | 59.1 | 0 | 0 | 109.2 | S558 | M556-S558 PolarHBondContact O-N 3.15Å; M556-S558 VanDerWaalsContact O-N 3.11Å |
| 557 | D | 49.2 | Very low | 43.6 | Very low | 133 Ų | 133 | 144.8 Ų | 144.8 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | trans | -76.4 | 97.1 | -177.7 | -60.4 | -51.7 | 0 | 0 | 0 | 111.7 | Q555 G559 | Q555-D557 PolarHBondContact NE2-OD1 3.46Å; D557-G559 PolarHBondContact O-N 3.23Å |
| 558 | S | 44.1 | Very low | 43.4 | Very low | 106 Ų | 106 | 146.9 Ų | 146.9 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | | | trans | -87.3 | 76.9 | 174.5 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | M556 Y560 | M556-S558 PolarHBondContact O-N 3.15Å; M556-S558 VanDerWaalsContact O-N 3.11Å; S558-Y560 PolarHBondContact O-N 3.43Å |
| 559 | G | 41.3 | Very low | 43.1 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -69.2 | 106 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D557 | D557-G559 PolarHBondContact O-N 3.23Š|
| 560 | Y | 39.4 | Very low | 43.1 | Very low | 226 Ų | 226 | 145.3 Ų | 145.3 | 89% | 0.886 | 80% | 0.803 | S | S | * | * | | | trans | -109.9 | 115.3 | 161.9 | -90.4 | -84.8 | 0 | 0 | 0 | 109.3 | S558 | S558-Y560 PolarHBondContact O-N 3.43Š|
| 561 | A | 41.5 | Very low | 42.2 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -92.1 | 129.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 562 | S | 35.9 | Very low | 41.1 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -65.9 | 148.3 | 163.2 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 563 | I | 42 | Very low | 40.6 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 82% | 0.821 | 78% | 0.778 | S | S | * | * | | | trans | -132.7 | 145.7 | 155.3 | 71.2 | 170.8 | 0 | 0 | 0 | 109 | | |
| 564 | E | 38.5 | Very low | 39.9 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 166.4 | -167.8 | -57.4 | 95.6 | 139.3 | 0 | 0 | 114.6 | | |
| 565 | A | 43.7 | Very low | 39.1 | Very low | 97 Ų | 97 | 138.5 Ų | 138.5 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 128.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 566 | P | 39.3 | Very low | 38.1 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 158.6 | 169.8 | -21.5 | 35.2 | 0 | 0 | 0 | 113.5 | | |
| 567 | S | 34 | Very low | 37 | Very low | 95 Ų | 95 | 135.9 Ų | 135.9 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | | | trans | -108.1 | 176.1 | -168.6 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 568 | R | 33.2 | Very low | 36.1 | Very low | 228 Ų | 228 | 134.8 Ų | 134.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | 88.1 | 127.9 | 159.9 | -73.8 | -177.4 | 163.8 | 84.4 | -3.7 | 119.7 | | |
| 569 | G | 35.7 | Very low | 35.4 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | trans | -86 | -144.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 570 | P | 40.9 | Very low | 34.8 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | cis | -135.6 | -154.3 | 21.9 | 23.4 | 5.4 | 0 | 0 | 0 | 113.5 | | |
| 571 | E | 32.4 | Very low | 34.5 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | 52.1 | 149.9 | 171.2 | 43.4 | -91 | -178.7 | 0 | 0 | 123.1 | | |
| 572 | D | 31.2 | Very low | 34.1 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | cis | -167.1 | 165.7 | -38.4 | -149.5 | -6.4 | 0 | 0 | 0 | 112.5 | | |
| 573 | L | 35.3 | Very low | 33.8 | Very low | 113 Ų | 113 | 136 Ų | 136 | 59% | 0.592 | 76% | 0.759 | S | S | * | * | | | trans | 70.4 | 129.9 | 149.8 | -74 | 159.7 | 0 | 0 | 0 | 124.2 | | |
| 574 | R | 34.5 | Very low | 33.1 | Very low | 204 Ų | 204 | 133.6 Ų | 133.6 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | | 109.2 | 101.8 | 121.9 | -100.6 | 173.7 | -74.8 | 157.2 | 0.5 | 121.3 | | |
| 575 | L | 28.5 | Very low | 33.3 | Very low | 155 Ų | 155 | 130.7 Ų | 130.7 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -139.1 | 119.4 | 132.5 | -76.7 | 178 | 0 | 0 | 0 | 110 | | |
| 576 | F | 30.2 | Very low | 32.7 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | | | trans | 29.6 | 114.8 | 157.5 | -52.3 | -64.9 | 0 | 0 | 0 | 120.7 | | |
| 577 | S | 26.3 | Very low | 32.4 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | | 84.1 | 108.3 | 71.2 | -69.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 578 | S | 30.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 101.9 | 139.6 | 84 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 579 | S | 29.5 | Very low | 32.7 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | cis | -154.1 | 142.6 | 15 | -61.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 580 | S | 28.8 | Very low | 32.5 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | 176.5 | 120.2 | 141.4 | -158.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 581 | I | 31.2 | Very low | 32.2 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | | 60.4 | 109.7 | 58.8 | -55.9 | 176.2 | 0 | 0 | 0 | 109.4 | | |
| 582 | T | 34.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | cis | -135.5 | 158.7 | 16.2 | 45.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 583 | D | 29.1 | Very low | 32.6 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | | | trans | 65.5 | 161.4 | 151 | -67.6 | -19.3 | 0 | 0 | 0 | 122.8 | | |
| 584 | S | 27 | Very low | 32.9 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -157.4 | -174 | -167.3 | 75.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 585 | P | 44.2 | Very low | 33.1 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | cis | -128.5 | 160.5 | -20 | 37.6 | -24 | 0 | 0 | 0 | 113.1 | | |
| 586 | K | 30.1 | Very low | 33.3 | Very low | 211 Ų | 211 | 144.9 Ų | 144.9 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | | | trans | -168 | 129.3 | 145.9 | -118.8 | 164.1 | -174.8 | 167.9 | 0 | 113.5 | | |
| 587 | D | 33 | Very low | 33.7 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | trans | -67.4 | 134.6 | 165.3 | -74.3 | -61.4 | 0 | 0 | 0 | 111.4 | | |
| 588 | R | 33.7 | Very low | 34.5 | Very low | 245 Ų | 245 | 148.2 Ų | 148.2 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | | | trans | -157.7 | 109.3 | 146.7 | -122.7 | 172.5 | -178.6 | 176.6 | -1 | 112.7 | | |
| 589 | T | 39.1 | Very low | 34.7 | Very low | 139 Ų | 139 | 151.1 Ų | 151.1 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -52.6 | 140.9 | 161.9 | -37.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 590 | A | 32.7 | Very low | 35.1 | Very low | 70 Ų | 70 | 150.3 Ų | 150.3 | 58% | 0.579 | 78% | 0.781 | S | S | * | * | | | trans | -171 | 136 | 141.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 591 | H | 35 | Very low | 35.4 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | 48.4 | 146.9 | 133.1 | 76.8 | -2.1 | 0 | 0 | 0 | 124.7 | | |
| 592 | E | 32 | Very low | 35.6 | Very low | 124 Ų | 124 | 154 Ų | 154 | 58% | 0.579 | 79% | 0.794 | S | S | * | * | | | | 33.8 | 108.1 | 129.7 | -165.8 | -156.9 | 140.5 | 0 | 0 | 120 | R594 | E592-R594 IonicContact OE1-CZ 2.78Å; E592-R594 IonicContact OE1-NE 2.95Å; E592-R594 PolarHBondContact OE1-NE 2.84Å; E592-R594 IonicContact OE1-NH2 3.26Å; E592-R594 PolarHBondContact OE1-NH2 3.44Å |
| 593 | K | 38.5 | Very low | 36.1 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 73% | 0.726 | 80% | 0.802 | S | S | * | * | | | trans | -179.2 | 156.3 | 134.3 | -98.7 | 145.8 | -174.6 | 169.1 | 0 | 110.3 | | |
| 594 | R | 43.1 | Very low | 36.7 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | | | cis | -161.7 | 168.5 | -34.6 | -119.3 | 179.1 | -153.3 | -165.6 | 0.9 | 106.8 | E592 | E592-R594 IonicContact OE1-CZ 2.78Å; E592-R594 IonicContact OE1-NE 2.95Å; E592-R594 PolarHBondContact OE1-NE 2.84Å; E592-R594 IonicContact OE1-NH2 3.26Å; E592-R594 PolarHBondContact OE1-NH2 3.44Å |
| 595 | H | 37.5 | Very low | 37.4 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | -71.1 | 172.1 | 170.4 | -77.4 | -93.5 | 0 | 0 | 0 | 112.4 | | |
| 596 | H | 32.4 | Very low | 37.1 | Very low | 169 Ų | 169 | 155.7 Ų | 155.7 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | | | trans | 84.2 | 106.7 | 168.6 | -42.4 | -70.7 | 0 | 0 | 0 | 117 | | |
| 597 | F | 38.4 | Very low | 37.3 | Very low | 222 Ų | 222 | 148.4 Ų | 148.4 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | | | trans | -117.3 | 147 | 138.3 | -86.3 | -79.9 | 0 | 0 | 0 | 108.5 | | |
| 598 | T | 44.3 | Very low | 37 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | | | trans | -100.7 | 149 | -168.1 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 599 | N | 34.2 | Very low | 37 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | | | trans | -58.9 | 136.8 | 161.6 | -69 | -26.6 | 0 | 0 | 0 | 110.3 | | |
| 600 | A | 38.9 | Very low | 36.6 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -139.1 | 82.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 601 | G | 34.2 | Very low | 36.6 | Very low | 82 Ų | 82 | 149.4 Ų | 149.4 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -78.7 | 145.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 602 | R | 36.7 | Very low | 36.3 | Very low | 252 Ų | 252 | 146.5 Ų | 146.5 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | | | trans | -141 | 126.6 | 164.9 | -156.1 | 172.2 | -168.1 | 169.9 | 4.2 | 110 | | |
| 603 | T | 43.8 | Very low | 36.1 | Very low | 141 Ų | 141 | 148 Ų | 148 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | -80.1 | 154.7 | 179.5 | 43.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 604 | G | 41.3 | Very low | 35.7 | Very low | 82 Ų | 82 | 145 Ų | 145 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -169.6 | 86.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 605 | T | 41.7 | Very low | 34.9 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | | | trans | -99.1 | 140.8 | 177 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 606 | I | 39.2 | Very low | 34.7 | Very low | 173 Ų | 173 | 145 Ų | 145 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | trans | -159.7 | 148.2 | 152.6 | -98.4 | 145.6 | 0 | 0 | 0 | 106.8 | | |
| 607 | G | 33.3 | Very low | 34.5 | Very low | 59 Ų | 59 | 146.7 Ų | 146.7 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | | | trans | -121.7 | -151.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 608 | E | 27.9 | Very low | 34.3 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | | | trans | 68.5 | 157.9 | -179 | -59.5 | -170.1 | 122.9 | 0 | 0 | 116.9 | | |
| 609 | S | 31.9 | Very low | 34.7 | Very low | 83 Ų | 83 | 144 Ų | 144 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | | | cis | -166.4 | 159.9 | -45.1 | -148 | 0 | 0 | 0 | 0 | 111.6 | | |
| 610 | F | 32.2 | Very low | 34.6 | Very low | 179 Ų | 179 | 144.2 Ų | 144.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 62.5 | 152.4 | 155.6 | -68.4 | -57.5 | 0 | 0 | 0 | 123.4 | | |
| 611 | E | 31 | Very low | 34.4 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 56.8 | 148.5 | 152.5 | -72.8 | 168.8 | 115.2 | 0 | 0 | 118.9 | | |
| 612 | S | 28.6 | Very low | 34.4 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | cis | 176.7 | -177.6 | -11.2 | 59.6 | 0 | 0 | 0 | 0 | 103.6 | | |
| 613 | H | 29.8 | Very low | 34.2 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | cis | -155.9 | 145.2 | 8 | -123.8 | -56.3 | 0 | 0 | 0 | 108 | | |
| 614 | L | 28.5 | Very low | 33.7 | Very low | 104 Ų | 104 | 145 Ų | 145 | 55% | 0.545 | 77% | 0.766 | S | S | . | * | | | | 62.4 | 128.4 | 124.3 | -166.6 | 141 | 0 | 0 | 0 | 122.6 | E616 | L614-E616 HydrophobicContact CD1-CG 4.03Å; L614-E616 HydrophobicContact CD2-CG 4.38Å; L614-E616 HydrophobicContact CG-CG 4.14Å |
| 615 | F | 27 | Very low | 33.3 | Very low | 207 Ų | 207 | 149 Ų | 149 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | | | | -138.6 | 135.3 | 128.6 | -121.8 | -84.2 | 0 | 0 | 0 | 109.2 | | |
| 616 | E | 32.5 | Very low | 32.6 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | trans | -99.5 | 154 | 175.4 | -67.6 | 164.5 | 109.4 | 0 | 0 | 110.2 | L614 | L614-E616 HydrophobicContact CD1-CG 4.03Å; L614-E616 HydrophobicContact CD2-CG 4.38Å; L614-E616 HydrophobicContact CG-CG 4.14Å |
| 617 | E | 28.8 | Very low | 32.2 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 95% | 0.949 | 77% | 0.768 | S | S | * | * | | | trans | -149.7 | 89.9 | 161.3 | -164.3 | 165.3 | -167.3 | 0 | 0 | 111.8 | | |
| 618 | E | 34.6 | Very low | 32.1 | Very low | 184 Ų | 184 | 146.1 Ų | 146.1 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -148.9 | 164.1 | 162.7 | -117 | -159.7 | 128.7 | 0 | 0 | 106.2 | | |
| 619 | P | 51.4 | Low | 32.2 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -113.1 | -135.4 | 18.7 | 27.8 | -3.3 | 0 | 0 | 0 | 110.9 | | |
| 620 | E | 33.8 | Very low | 32 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | cis | -162.8 | 157.3 | 6.5 | 38.2 | 180 | -124.6 | 0 | 0 | 109.2 | | |
| 621 | D | 35.1 | Very low | 32 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | cis | -165.6 | -176.8 | -25 | -171.6 | 15.1 | 0 | 0 | 0 | 108 | | |
| 622 | E | 33.8 | Very low | 32.4 | Very low | 152 Ų | 152 | 136.2 Ų | 136.2 | 71% | 0.71 | 79% | 0.788 | S | S | * | * | | | trans | 70.4 | 122.2 | 165.6 | -59.5 | -163.5 | 114.7 | 0 | 0 | 120.4 | | |
| 623 | L | 31.7 | Very low | 32.4 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | | 177.1 | 96.6 | 101.7 | -91.1 | 173 | 0 | 0 | 0 | 114.8 | | |
| 624 | L | 33.1 | Very low | 32.5 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 71% | 0.712 | 80% | 0.804 | S | S | * | * | | | trans | 56 | 134.9 | 135.3 | -60.2 | -179.5 | 0 | 0 | 0 | 125.1 | | |
| 625 | L | 33 | Very low | 32.6 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | | | trans | 76.7 | 140.1 | 139.5 | -103.5 | 68.6 | 0 | 0 | 0 | 121.7 | | |
| 626 | G | 27.3 | Very low | 32.7 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | 145.1 | 86.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 627 | A | 31.9 | Very low | 32.8 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | | | trans | -83.7 | 172.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 628 | S | 29.8 | Very low | 32.7 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | 89.8 | 89.2 | 154.4 | -167.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 629 | G | 29.7 | Very low | 32.6 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | | 66.1 | 114.3 | 108.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 630 | G | 29.2 | Very low | 31.9 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -156.7 | 143.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 631 | V | 30.9 | Very low | 31.6 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | | | trans | -91.6 | 139.2 | -172.3 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 632 | P | 39.1 | Very low | 31.3 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | trans | -76.9 | 163.5 | 179 | 32.8 | -37.6 | 0 | 0 | 0 | 113 | | |
| 633 | M | 29 | Very low | 31.2 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 93% | 0.931 | 82% | 0.823 | S | S | * | * | | | trans | -135.6 | 150.2 | 161.9 | -149.9 | 169.8 | -158.8 | 0 | 0 | 111.4 | | |
| 634 | E | 32.9 | Very low | 31.6 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | | | trans | -79 | 162.8 | -160.6 | -70.1 | 175 | 93.9 | 0 | 0 | 117 | | |
| 635 | I | 30.5 | Very low | 31.6 | Very low | 160 Ų | 160 | 134 Ų | 134 | 82% | 0.821 | 83% | 0.829 | S | S | * | * | | | trans | 69.1 | 133.1 | 143.6 | -74.2 | 159.3 | 0 | 0 | 0 | 117.5 | | |
| 636 | G | 27.9 | Very low | 31.8 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | | | cis | -178.6 | -172.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 637 | A | 34.8 | Very low | 32 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -74.8 | 143 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 638 | S | 26.7 | Very low | 32 | Very low | 129 Ų | 129 | 138 Ų | 138 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | | | trans | -139.7 | 127.8 | 157.7 | -80 | 0 | 0 | 0 | 0 | 107.9 | | |
| 639 | A | 32.9 | Very low | 32.2 | Very low | 89 Ų | 89 | 140.2 Ų | 140.2 | 74% | 0.736 | 83% | 0.829 | S | S | * | * | | | trans | -116.9 | 163 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 640 | L | 37.1 | Very low | 32.4 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | | | trans | 68.2 | 114.5 | 167.7 | -51.4 | 175.4 | 0 | 0 | 0 | 117.3 | | |
| 641 | S | 27.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | | | | -143.8 | 112.3 | 128.7 | 50.8 | 0 | 0 | 0 | 0 | 110 | | |
| 642 | W | 29.6 | Very low | 32.7 | Very low | 248 Ų | 248 | 148 Ų | 148 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | | | trans | -101.4 | 134.9 | 159 | -90 | 74.2 | 0 | 0 | 0 | 106.9 | | |
| 643 | L | 30.6 | Very low | 32.3 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | | | trans | -131 | 146.4 | 176.1 | -74.6 | 173.6 | 0 | 0 | 0 | 111 | | |
| 644 | P | 41.4 | Very low | 32.4 | Very low | 110 Ų | 110 | 145.7 Ų | 145.7 | 71% | 0.714 | 81% | 0.813 | S | S | * | * | | | trans | -90.7 | -178.5 | -177.8 | 37.8 | -37.1 | 0 | 0 | 0 | 113.4 | | |
| 645 | Y | 31.3 | Very low | 32.6 | Very low | 229 Ų | 229 | 143 Ų | 143 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | | | trans | 79.7 | 87.5 | 170.3 | -91 | -88.5 | 0 | 0 | 0 | 119.2 | | |
| 646 | G | 38.4 | Very low | 32.9 | Very low | 79 Ų | 79 | 144.4 Ų | 144.4 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | | 51.3 | 105.9 | 117.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 647 | Q | 30.9 | Very low | 33.3 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | | | trans | -139.4 | 140.1 | 157.8 | -170.4 | 163.7 | -24.8 | 0 | 0 | 110.9 | | |
| 648 | M | 32.8 | Very low | 33.4 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | | | trans | -82.8 | 138.7 | -179.8 | -79 | 169.7 | 46.7 | 0 | 0 | 112.4 | | |
| 649 | L | 33.6 | Very low | 33.8 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | | | trans | -140.6 | 146.8 | 153.4 | -73.4 | 179.1 | 0 | 0 | 0 | 111.3 | | |
| 650 | N | 33.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | | | trans | -143.5 | 156.8 | 168.1 | -100.8 | -61.2 | 0 | 0 | 0 | 105.3 | | |
| 651 | P | 38.8 | Very low | 34.4 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | cis | -139.8 | -173.6 | 26.4 | 39.9 | -20.7 | 0 | 0 | 0 | 116.2 | | |
| 652 | R | 26.9 | Very low | 35.1 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | trans | 104 | 95.1 | 138.3 | -162.7 | 164 | -164.2 | -173.4 | 2.5 | 120 | | |
| 653 | E | 31.3 | Very low | 35.5 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | | | | 61.4 | 72.3 | 120.4 | -158.2 | 172.2 | -129.2 | 0 | 0 | 118.8 | | |
| 654 | A | 30.9 | Very low | 36 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | | | trans | -144.3 | 144.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 655 | A | 37.6 | Very low | 36.2 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | -97.1 | 121 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 656 | Q | 36.5 | Very low | 36.7 | Very low | 188 Ų | 188 | 147 Ų | 147 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | -142.7 | 152.7 | 164.3 | -77.8 | -160.6 | -9.1 | 0 | 0 | 110.9 | | |
| 657 | P | 37.3 | Very low | 37.7 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 157.6 | -173.9 | 32.4 | -36.5 | 0 | 0 | 0 | 113.2 | A659 | P657-A659 PolarHBondContact O-N 2.91Š|
| 658 | P | 36.6 | Very low | 38.6 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.3 | 178.4 | 28.7 | -34.2 | 0 | 0 | 0 | 111.8 | | |
| 659 | A | 35.7 | Very low | 40.1 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64 | 144.5 | 166 | 0 | 0 | 0 | 0 | 0 | 110.6 | P657 | P657-A659 PolarHBondContact O-N 2.91Š|
| 660 | Q | 39.7 | Very low | 41.9 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.8 | 179.1 | -61.8 | -176.8 | 10.6 | 0 | 0 | 110.8 | I662 | Q660-I662 PolarHBondContact O-N 3.47Š|
| 661 | P | 41.7 | Very low | 43.9 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 132.4 | 173.4 | 28.7 | -33.7 | 0 | 0 | 0 | 110 | T663 | P661-T663 PolarHBondContact O-N 3.35Š|
| 662 | I | 41.8 | Very low | 46.1 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | | | trans | -63.2 | 107.6 | 175.6 | -61.8 | 171.4 | 0 | 0 | 0 | 108.5 | Q660 L664 | Q660-I662 PolarHBondContact O-N 3.47Å; I662-L664 PolarHBondContact O-N 2.84Å |
| 663 | T | 38 | Very low | 48.8 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 74% | 0.743 | S | S | * | * | | | trans | -71.7 | 99 | 173.9 | 51.3 | 0 | 0 | 0 | 0 | 109.1 | P661 H665 | P661-T663 PolarHBondContact O-N 3.35Å; T663-H665 PolarHBondContact O-N 3.1Å |
| 664 | L | 41.5 | Very low | 51.4 | Low | 154 Ų | 154 | 138.4 Ų | 138.4 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | | | trans | -48.9 | 134.5 | 164.4 | -66.9 | 174.4 | 0 | 0 | 0 | 108.9 | I662 R666 | I662-L664 PolarHBondContact O-N 2.84Å; L664-R666 VanDerWaalsContact C-N 3.34Å; L664-R666 PolarHBondContact O-N 3.31Å |
| 665 | H | 46 | Very low | 54.1 | Low | 189 Ų | 189 | 136.8 Ų | 136.8 | 88% | 0.875 | 72% | 0.722 | S | S | * | * | | | trans | -60.1 | 95.3 | -179.6 | -96.9 | -86.2 | 0 | 0 | 0 | 110.7 | T663 R667 | T663-H665 PolarHBondContact O-N 3.1Å; H665-R667 PolarHBondContact O-N 3.02Å |
| 666 | R | 42.3 | Very low | 56.5 | Low | 199 Ų | 199 | 134.8 Ų | 134.8 | 75% | 0.751 | 70% | 0.697 | S | S | * | * | | | trans | -62.7 | 108.5 | 164.9 | -164.5 | 175 | -152.9 | -85.7 | -2.7 | 106 | L664 D668 | L664-R666 VanDerWaalsContact C-N 3.34Å; L664-R666 PolarHBondContact O-N 3.31Å; R666-D668 IonicContact NH1-OD1 3.55Å; R666-D668 PolarHBondContact O-N 2.78Å |
| 667 | R | 57.9 | Low | 58.9 | Low | 140 Ų | 140 | 128.3 Ų | 128.3 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | | | trans | -62.3 | 106.1 | 165.9 | -76.4 | 179.7 | 168.4 | 101.8 | -15 | 105.6 | E458 H665 Y669 | E458-R667 IonicContact OE1-NH2 2.87Å; H665-R667 PolarHBondContact O-N 3.02Å; R667-Y669 HydrophobicContact CB-CD2 4.49Å; R667-Y669 HydrophobicContact CB-CE2 3.93Å; R667-Y669 WeakPolarHBondContact O-CD2 3.41Å; R667-Y669 WeakPolarHBondContact O-CE2 3.09Å; R667-Y669 PolarHBondContact O-N 3.15Å |
| 668 | D | 51.5 | Low | 61.4 | Low | 115 Ų | 115 | 128.1 Ų | 128.1 | 62% | 0.615 | 67% | 0.667 | S | S | * | * | | | trans | -73.2 | 96.3 | 178.5 | -79.7 | -34.3 | 0 | 0 | 0 | 108.5 | R666 S670 | R666-D668 IonicContact NH1-OD1 3.55Å; R666-D668 PolarHBondContact O-N 2.78Å; D668-S670 PolarHBondContact O-N 2.78Å |
| 669 | Y | 62.8 | Low | 63.7 | Low | 174 Ų | 174 | 127.3 Ų | 127.3 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | | | trans | -70.7 | 46.6 | 168.9 | -61.7 | -78.3 | 0 | 0 | 0 | 111.1 | R667 I671 | R667-Y669 HydrophobicContact CB-CD2 4.49Å; R667-Y669 HydrophobicContact CB-CE2 3.93Å; R667-Y669 WeakPolarHBondContact O-CD2 3.41Å; R667-Y669 WeakPolarHBondContact O-CE2 3.09Å; R667-Y669 PolarHBondContact O-N 3.15Å; Y669-I671 PolarHBondContact O-N 3.08Å; Y669-I671 VanDerWaalsContact O-N 3.08Å |
| 670 | S | 71.8 | Confident | 66 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | | | trans | -69.2 | 99.4 | 161.8 | 55 | 0 | 0 | 0 | 0 | 107.3 | D668 D672 | D668-S670 PolarHBondContact O-N 2.78Å; S670-D672 PolarHBondContact O-N 3.02Å |
| 671 | I | 75.8 | Confident | 68 | Low | 103 Ų | 103 | 122.6 Ų | 122.6 | 53% | 0.528 | 61% | 0.612 | S | S | . | * | | | trans | -53 | 128.7 | 165.5 | -54.8 | 177.8 | 0 | 0 | 0 | 106.8 | Y669 T675 D676 | Y669-I671 PolarHBondContact O-N 3.08Å; Y669-I671 VanDerWaalsContact O-N 3.08Å; I671-T675 HydrophobicContact CG2-CG2 3.66Å; I671-D676 HydrophobicContact CG2-CB 3.98Å |
| 672 | D | 84.8 | Confident | 70.1 | Confident | 80 Ų | 80 | 123.9 Ų | 123.9 | 43% | 0.428 | 61% | 0.606 | S | S | . | * | | | trans | -68.6 | 156.7 | 179.4 | 70.1 | -83.9 | 0 | 0 | 0 | 110.7 | S670 K674 T675 D676 | S670-D672 PolarHBondContact O-N 3.02Å; D672-K674 PolarHBondContact O-N 2.76Å; D672-K674 WeakPolarHBondContact OD2-CA 3.19Å; D672-K674 VanDerWaalsContact OD2-CB 3.23Å; D672-K674 WeakPolarHBondContact OD2-CB 3.42Å; D672-K674 PolarHBondContact OD2-N 3.17Å; D672-T675 PolarHBondContact O-N 3.11Å; D672-T675 VanDerWaalsContact O-N 3.1Å; D672-T675 WeakPolarHBondContact OD1-CB 3.4Å; D672-T675 PolarHBondContact OD1-OG1 2.86Å; D672-T675 PolarHBondContact OD2-N 3.26Å; D672-D676 WeakPolarHBondContact O-CB 3.34Å; D672-D676 PolarHBondContact O-N 3.06Å |
| 673 | E | 83.9 | Confident | 72 | Confident | 174 Ų | 174 | 118.2 Ų | 118.2 | 81% | 0.813 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.9 | -22.8 | -174.5 | -170.1 | 171.2 | -173.1 | 0 | 0 | 113.4 | A677 | E673-A677 WeakPolarHBondContact O-CB 3.07Å; E673-A677 PolarHBondContact O-N 3.39Å; E673-A677 VanDerWaalsContact O-N 3.08Å |
| 674 | K | 85.3 | Confident | 73.9 | Confident | 165 Ų | 165 | 118.7 Ų | 118.7 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -80.8 | -46.9 | 175.7 | -50.5 | -178.2 | 179.8 | -176 | 0 | 111.1 | D672 D676 A677 L678 | D672-K674 PolarHBondContact O-N 2.76Å; D672-K674 WeakPolarHBondContact OD2-CA 3.19Å; D672-K674 VanDerWaalsContact OD2-CB 3.23Å; D672-K674 WeakPolarHBondContact OD2-CB 3.42Å; D672-K674 PolarHBondContact OD2-N 3.17Å; K674-D676 VanDerWaalsContact C-N 3.3Å; K674-D676 PolarHBondContact O-N 3.05Å; K674-A677 PolarHBondContact O-N 3.39Å; K674-L678 WeakPolarHBondContact O-CB 3.23Å; K674-L678 VanDerWaalsContact O-CG 3.3Å; K674-L678 WeakPolarHBondContact O-CG 3.41Å; K674-L678 PolarHBondContact O-N 2.86Å |
| 675 | T | 86.9 | Confident | 75.5 | Confident | 71 Ų | 71 | 117.8 Ų | 117.8 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.8 | -34.5 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | I671 D672 L678 F679 | I671-T675 HydrophobicContact CG2-CG2 3.66Å; D672-T675 PolarHBondContact O-N 3.11Å; D672-T675 VanDerWaalsContact O-N 3.1Å; D672-T675 WeakPolarHBondContact OD1-CB 3.4Å; D672-T675 PolarHBondContact OD1-OG1 2.86Å; D672-T675 PolarHBondContact OD2-N 3.26Å; T675-L678 PolarHBondContact O-N 3.22Å; T675-F679 WeakPolarHBondContact O-CB 3.38Å; T675-F679 PolarHBondContact O-N 3.31Å |
| 676 | D | 88.4 | Confident | 77 | Confident | 61 Ų | 61 | 110.6 Ų | 110.6 | 33% | 0.326 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | 173.2 | -173.1 | 57.7 | 0 | 0 | 0 | 111.6 | I671 D672 K674 F679 H680 | I671-D676 HydrophobicContact CG2-CB 3.98Å; D672-D676 WeakPolarHBondContact O-CB 3.34Å; D672-D676 PolarHBondContact O-N 3.06Å; K674-D676 VanDerWaalsContact C-N 3.3Å; K674-D676 PolarHBondContact O-N 3.05Å; D676-F679 PolarHBondContact O-N 2.82Å; D676-H680 WeakPolarHBondContact O-CB 3.4Å; D676-H680 PolarHBondContact O-N 3.05Å; D676-H680 PolarHBondContact O-ND1 3.12Å; D676-H680 IonicContact OD1-CE1 2.84Å; D676-H680 PolarHBondContact OD1-CE1 3.33Å; D676-H680 IonicContact OD1-ND1 2.91Å; D676-H680 PolarHBondContact OD1-ND1 3.44Å; D676-H680 IonicContact OD2-CE1 3.35Å; D676-H680 PolarHBondContact OD2-CE1 2.88Å; D676-H680 IonicContact OD2-ND1 2.65Å; D676-H680 PolarHBondContact OD2-ND1 2.94Å |
| 677 | A | 87.1 | Confident | 78.1 | Confident | 51 Ų | 51 | 106.2 Ų | 106.2 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E673 K674 H680 E681 | E673-A677 WeakPolarHBondContact O-CB 3.07Å; E673-A677 PolarHBondContact O-N 3.39Å; E673-A677 VanDerWaalsContact O-N 3.08Å; K674-A677 PolarHBondContact O-N 3.39Å; A677-H680 CarbonylContact O-C 3.48Å; A677-H680 PolarHBondContact O-N 3.28Å; A677-E681 WeakPolarHBondContact O-CB 3.44Å; A677-E681 PolarHBondContact O-N 3.33Å |
| 678 | L | 90.6 | Very high | 78.3 | Confident | 111 Ų | 111 | 107 Ų | 107 | 58% | 0.581 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.8 | -39.4 | 174.7 | -74.1 | 168.1 | 0 | 0 | 0 | 112 | K674 T675 E681 F682 | K674-L678 WeakPolarHBondContact O-CB 3.23Å; K674-L678 VanDerWaalsContact O-CG 3.3Å; K674-L678 WeakPolarHBondContact O-CG 3.41Å; K674-L678 PolarHBondContact O-N 2.86Å; T675-L678 PolarHBondContact O-N 3.22Å; L678-E681 WeakPolarHBondContact O-CB 3.44Å; L678-E681 PolarHBondContact O-N 3.04Å; L678-E681 VanDerWaalsContact O-N 3.14Å; L678-F682 PolarHBondContact O-N 2.93Å |
| 679 | F | 83.9 | Confident | 78.6 | Confident | 111 Ų | 111 | 106.7 Ų | 106.7 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 173.4 | -177 | -111.8 | 0 | 0 | 0 | 111.4 | T675 D676 E681 F682 L683 | T675-F679 WeakPolarHBondContact O-CB 3.38Å; T675-F679 PolarHBondContact O-N 3.31Å; D676-F679 PolarHBondContact O-N 2.82Å; F679-E681 PolarHBondContact O-N 2.95Å; F679-F682 PolarHBondContact O-N 3.38Å; F679-L683 HydrophobicContact CD1-CD1 3.95Å; F679-L683 HydrophobicContact CE1-CD1 3.51Å; F679-L683 HydrophobicContact CE1-CG 4.37Å; F679-L683 HydrophobicContact CE2-CD1 4.47Å; F679-L683 HydrophobicContact CZ-CD1 3.81Å; F679-L683 HydrophobicContact CZ-CG 4.31Å; F679-L683 WeakPolarHBondContact O-CG 3.48Å; F679-L683 PolarHBondContact O-N 3.48Å |
| 680 | H | 83.6 | Confident | 78.4 | Confident | 96 Ų | 96 | 105.5 Ų | 105.5 | 44% | 0.444 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.6 | -12.5 | 172.2 | -72.2 | 96.1 | 0 | 0 | 0 | 113.9 | D676 A677 R684 | D676-H680 WeakPolarHBondContact O-CB 3.4Å; D676-H680 PolarHBondContact O-N 3.05Å; D676-H680 PolarHBondContact O-ND1 3.12Å; D676-H680 IonicContact OD1-CE1 2.84Å; D676-H680 PolarHBondContact OD1-CE1 3.33Å; D676-H680 IonicContact OD1-ND1 2.91Å; D676-H680 PolarHBondContact OD1-ND1 3.44Å; D676-H680 IonicContact OD2-CE1 3.35Å; D676-H680 PolarHBondContact OD2-CE1 2.88Å; D676-H680 IonicContact OD2-ND1 2.65Å; D676-H680 PolarHBondContact OD2-ND1 2.94Å; A677-H680 CarbonylContact O-C 3.48Å; A677-H680 PolarHBondContact O-N 3.28Å; H680-R684 VanDerWaalsContact O-CG 3.23Å; H680-R684 WeakPolarHBondContact O-CG 3.48Å; H680-R684 PolarHBondContact O-NE 3.38Å |
| 681 | E | 83.3 | Confident | 77.4 | Confident | 83 Ų | 83 | 108.5 Ų | 108.5 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -82.3 | -46.9 | 168.6 | -169.9 | 124 | -102.3 | 0 | 0 | 110.8 | A677 L678 F679 L683 R684 H685 | A677-E681 WeakPolarHBondContact O-CB 3.44Å; A677-E681 PolarHBondContact O-N 3.33Å; L678-E681 WeakPolarHBondContact O-CB 3.44Å; L678-E681 PolarHBondContact O-N 3.04Å; L678-E681 VanDerWaalsContact O-N 3.14Å; F679-E681 PolarHBondContact O-N 2.95Å; E681-L683 PolarHBondContact O-N 3.4Å; E681-R684 VanDerWaalsContact CA-NH2 3.32Å; E681-R684 VanDerWaalsContact CB-NH2 3.34Å; E681-R684 WeakPolarHBondContact O-CB 3.45Å; E681-R684 PolarHBondContact O-N 2.96Å; E681-R684 IonicContact OE1-CZ 3.87Å; E681-R684 IonicContact OE1-NH1 3.15Å; E681-R684 PolarHBondContact OE1-NH1 2.7Å; E681-R684 IonicContact OE1-NH2 3.55Å; E681-R684 PolarHBondContact OE1-NH2 2.79Å; E681-R684 IonicContact OE2-NH2 3.46Å; E681-H685 PolarHBondContact O-CD2 2.93Å; E681-H685 PolarHBondContact O-N 2.85Å |
| 682 | F | 84.5 | Confident | 76.2 | Confident | 141 Ų | 141 | 110.4 Ų | 110.4 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.7 | -47.4 | 173.5 | -175.2 | -96.5 | 0 | 0 | 0 | 111.7 | L678 F679 R684 H685 D686 | L678-F682 PolarHBondContact O-N 2.93Å; F679-F682 PolarHBondContact O-N 3.38Å; F682-R684 VanDerWaalsContact C-N 3.26Å; F682-R684 PolarHBondContact O-N 2.88Å; F682-H685 CarbonylContact O-C 3.52Å; F682-H685 WeakPolarHBondContact O-CA 3.34Å; F682-H685 PolarHBondContact O-N 3.14Å; F682-D686 PolarHBondContact O-N 2.84Å |
| 683 | L | 83.1 | Confident | 74.2 | Confident | 40 Ų | 40 | 114.7 Ų | 114.7 | 21% | 0.209 | 56% | 0.562 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -65.1 | -23.1 | 175.7 | -69 | 178.4 | 0 | 0 | 0 | 114.1 | F679 E681 F689 | F679-L683 HydrophobicContact CD1-CD1 3.95Å; F679-L683 HydrophobicContact CE1-CD1 3.51Å; F679-L683 HydrophobicContact CE1-CG 4.37Å; F679-L683 HydrophobicContact CE2-CD1 4.47Å; F679-L683 HydrophobicContact CZ-CD1 3.81Å; F679-L683 HydrophobicContact CZ-CG 4.31Å; F679-L683 WeakPolarHBondContact O-CG 3.48Å; F679-L683 PolarHBondContact O-N 3.48Å; E681-L683 PolarHBondContact O-N 3.4Å; L683-F689 HydrophobicContact CD2-CD1 4.2Å; L683-F689 HydrophobicContact CD2-CD2 3.74Å; L683-F689 HydrophobicContact CD2-CE1 4.07Å; L683-F689 HydrophobicContact CD2-CE2 3.6Å; L683-F689 HydrophobicContact CD2-CG 4.04Å; L683-F689 HydrophobicContact CD2-CZ 3.77Å |
| 684 | R | 77.1 | Confident | 72.2 | Confident | 136 Ų | 136 | 111.8 Ų | 111.8 | 51% | 0.513 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | -6.3 | 171.3 | -82.5 | -178.7 | -67.8 | 121.4 | -13.4 | 113.4 | H680 E681 F682 | H680-R684 VanDerWaalsContact O-CG 3.23Å; H680-R684 WeakPolarHBondContact O-CG 3.48Å; H680-R684 PolarHBondContact O-NE 3.38Å; E681-R684 VanDerWaalsContact CA-NH2 3.32Å; E681-R684 VanDerWaalsContact CB-NH2 3.34Å; E681-R684 WeakPolarHBondContact O-CB 3.45Å; E681-R684 PolarHBondContact O-N 2.96Å; E681-R684 IonicContact OE1-CZ 3.87Å; E681-R684 IonicContact OE1-NH1 3.15Å; E681-R684 PolarHBondContact OE1-NH1 2.7Å; E681-R684 IonicContact OE1-NH2 3.55Å; E681-R684 PolarHBondContact OE1-NH2 2.79Å; E681-R684 IonicContact OE2-NH2 3.46Å; F682-R684 VanDerWaalsContact C-N 3.26Å; F682-R684 PolarHBondContact O-N 2.88Å |
| 685 | H | 74.3 | Confident | 70.1 | Confident | 134 Ų | 134 | 109 Ų | 109 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -3 | -177.5 | -67.4 | -47.6 | 0 | 0 | 0 | 113.6 | E681 F682 P687 | E681-H685 PolarHBondContact O-CD2 2.93Å; E681-H685 PolarHBondContact O-N 2.85Å; F682-H685 CarbonylContact O-C 3.52Å; F682-H685 WeakPolarHBondContact O-CA 3.34Å; F682-H685 PolarHBondContact O-N 3.14Å; H685-P687 WeakPolarHBondContact O-CD 3.3Å |
| 686 | D | 79.1 | Confident | 68.2 | Low | 39 Ų | 39 | 117.1 Ų | 117.1 | 21% | 0.209 | 58% | 0.582 | C | S | . | * | | | trans | -78.1 | 114.8 | 167 | -175.1 | -12 | 0 | 0 | 0 | 110.7 | F682 Q688 F689 | F682-D686 PolarHBondContact O-N 2.84Å; D686-Q688 PolarHBondContact O-N 2.89Å; D686-Q688 WeakPolarHBondContact OD1-CB 3.32Å; D686-Q688 WeakPolarHBondContact OD1-CG 3.44Å; D686-Q688 PolarHBondContact OD1-N 3.44Å; D686-F689 HydrophobicContact CB-CB 4.46Å; D686-F689 HydrophobicContact CB-CD2 4.29Å; D686-F689 PolarHBondContact O-N 2.87Å; D686-F689 VanDerWaalsContact O-N 3.13Å |
| 687 | P | 64.8 | Low | 66 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 70% | 0.695 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -13.2 | 178.5 | -21 | 34.3 | 0 | 0 | 0 | 114.7 | H685 | H685-P687 WeakPolarHBondContact O-CD 3.3Š|
| 688 | Q | 62.4 | Low | 64 | Low | 156 Ų | 156 | 128.7 Ų | 128.7 | 73% | 0.729 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -28.4 | 177.2 | -55.8 | -168.9 | 2.5 | 0 | 0 | 112.2 | D686 | D686-Q688 PolarHBondContact O-N 2.89Å; D686-Q688 WeakPolarHBondContact OD1-CB 3.32Å; D686-Q688 WeakPolarHBondContact OD1-CG 3.44Å; D686-Q688 PolarHBondContact OD1-N 3.44Å |
| 689 | F | 58.3 | Low | 61.6 | Low | 108 Ų | 108 | 133.4 Ų | 133.4 | 47% | 0.474 | 63% | 0.632 | S | S | . | * | G | 310 helix | trans | -80 | -27 | -178.3 | -96.5 | -91.1 | 0 | 0 | 0 | 114.1 | L683 D686 L691 Q692 | L683-F689 HydrophobicContact CD2-CD1 4.2Å; L683-F689 HydrophobicContact CD2-CD2 3.74Å; L683-F689 HydrophobicContact CD2-CE1 4.07Å; L683-F689 HydrophobicContact CD2-CE2 3.6Å; L683-F689 HydrophobicContact CD2-CG 4.04Å; L683-F689 HydrophobicContact CD2-CZ 3.77Å; D686-F689 HydrophobicContact CB-CB 4.46Å; D686-F689 HydrophobicContact CB-CD2 4.29Å; D686-F689 PolarHBondContact O-N 2.87Å; D686-F689 VanDerWaalsContact O-N 3.13Å; F689-L691 PolarHBondContact O-N 3.28Å; F689-Q692 PolarHBondContact O-N 3.08Å; F689-Q692 VanDerWaalsContact O-O 3.14Å |
| 690 | D | 56.9 | Low | 59.6 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -58.9 | -19 | 177.4 | -107.8 | -14.5 | 0 | 0 | 0 | 113.7 | | |
| 691 | L | 51.3 | Low | 58.3 | Low | 161 Ų | 161 | 137.2 Ų | 137.2 | 84% | 0.843 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -87.3 | -14.7 | 178.2 | -84.3 | 157.3 | 0 | 0 | 0 | 114.3 | F689 | F689-L691 PolarHBondContact O-N 3.28Š|
| 692 | Q | 51.3 | Low | 56.7 | Low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -133.9 | 122.1 | -170 | -154.9 | 166 | -14.7 | 0 | 0 | 112.4 | F689 | F689-Q692 PolarHBondContact O-N 3.08Å; F689-Q692 VanDerWaalsContact O-O 3.14Å |
| 693 | E | 41.6 | Very low | 55.3 | Low | 171 Ų | 171 | 138.5 Ų | 138.5 | 80% | 0.799 | 67% | 0.665 | S | S | * | * | | | trans | 65.7 | 71.7 | 175.5 | -51.9 | -157.7 | 169.3 | 0 | 0 | 118 | P695 | E693-P695 WeakPolarHBondContact O-CD 3.5Š|
| 694 | S | 41.8 | Very low | 53.4 | Low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | | | trans | -61.1 | 116.4 | 154.1 | 63.5 | 0 | 0 | 0 | 0 | 110.4 | R696 | S694-R696 PolarHBondContact O-N 2.62Š|
| 695 | P | 42.6 | Very low | 52 | Low | 105 Ų | 105 | 145.7 Ų | 145.7 | 68% | 0.682 | 70% | 0.697 | S | S | * | * | | | trans | -72.7 | 117.1 | -172.9 | 27 | -33.6 | 0 | 0 | 0 | 110.3 | E693 K697 | E693-P695 WeakPolarHBondContact O-CD 3.5Å; P695-K697 VanDerWaalsContact C-N 3.31Å; P695-K697 PolarHBondContact O-N 2.96Å |
| 696 | R | 45.9 | Very low | 50.9 | Low | 243 Ų | 243 | 148 Ų | 148 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | | | trans | -66.5 | 83.7 | 179.2 | -75.3 | -175.9 | 169.5 | -172 | -1.4 | 111.4 | S694 H698 | S694-R696 PolarHBondContact O-N 2.62Å; R696-H698 PolarHBondContact O-N 2.99Å |
| 697 | K | 43.6 | Very low | 49.5 | Very low | 190 Ų | 190 | 152 Ų | 152 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | | | trans | -47 | 113.8 | -179.3 | -72 | 178.9 | 178.7 | 175.5 | 0 | 111.4 | P695 R699 | P695-K697 VanDerWaalsContact C-N 3.31Å; P695-K697 PolarHBondContact O-N 2.96Å; K697-R699 PolarHBondContact O-N 2.74Å |
| 698 | H | 43.6 | Very low | 48.3 | Very low | 164 Ų | 164 | 155.6 Ų | 155.6 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | | | trans | -73 | 85.7 | -166.5 | -163.9 | -55.4 | 0 | 0 | 0 | 111.8 | R696 | R696-H698 PolarHBondContact O-N 2.99Š|
| 699 | R | 40.1 | Very low | 47.9 | Very low | 211 Ų | 211 | 156 Ų | 156 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | | | trans | -50.2 | 142.8 | 176.2 | -95.2 | -172.9 | 171.7 | -171.9 | -0.8 | 111.5 | K697 R701 | K697-R699 PolarHBondContact O-N 2.74Å; R699-R701 PolarHBondContact O-N 3.37Å |
| 700 | S | 41.7 | Very low | 47.4 | Very low | 71 Ų | 71 | 161.6 Ų | 161.6 | 50% | 0.497 | 74% | 0.742 | S | S | . | * | | | trans | -63.3 | 128.7 | -175.9 | 58.4 | 0 | 0 | 0 | 0 | 112 | V702 H703 | S700-V702 PolarHBondContact O-N 2.98Å; S700-H703 PolarHBondContact O-N 3.06Å; S700-H703 PolarHBondContact OG-ND1 3.43Å |
| 701 | R | 57.7 | Low | 46.7 | Very low | 215 Ų | 215 | 159.9 Ų | 159.9 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -15.1 | -173.3 | -83.1 | 163.7 | 54.5 | 119.5 | -8.9 | 115.2 | R699 H703 | R699-R701 PolarHBondContact O-N 3.37Å; R701-H703 VanDerWaalsContact C-N 3.34Å; R701-H703 PolarHBondContact O-N 3.38Å |
| 702 | V | 49.5 | Very low | 46.4 | Very low | 120 Ų | 120 | 161.4 Ų | 161.4 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -32.5 | 178.4 | -177.2 | 0 | 0 | 0 | 0 | 112.7 | S700 | S700-V702 PolarHBondContact O-N 2.98Š|
| 703 | H | 54.8 | Low | 46.2 | Very low | 131 Ų | 131 | 161.8 Ų | 161.8 | 61% | 0.606 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -21 | -174.7 | -70 | 94.2 | 0 | 0 | 0 | 114.2 | S700 R701 R705 K706 | S700-H703 PolarHBondContact O-N 3.06Å; S700-H703 PolarHBondContact OG-ND1 3.43Å; R701-H703 VanDerWaalsContact C-N 3.34Å; R701-H703 PolarHBondContact O-N 3.38Å; H703-R705 VanDerWaalsContact C-N 3.33Å; H703-R705 PolarHBondContact O-N 3.41Å; H703-K706 PolarHBondContact O-N 3.12Å |
| 704 | L | 43.8 | Very low | 45.9 | Very low | 103 Ų | 103 | 164.5 Ų | 164.5 | 54% | 0.539 | 73% | 0.734 | S | S | . | * | H | α-helix | trans | -63.9 | -37 | -172.3 | -158.6 | 69.7 | 0 | 0 | 0 | 112.4 | K706 Q707 | L704-K706 PolarHBondContact O-N 3.08Å; L704-K706 VanDerWaalsContact O-N 3.09Å; L704-Q707 PolarHBondContact O-N 2.93Å; L704-Q707 VanDerWaalsContact O-N 3.16Å |
| 705 | R | 47.4 | Very low | 45.8 | Very low | 224 Ų | 224 | 164.7 Ų | 164.7 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -65.8 | -13.2 | -176.1 | -147.9 | -179.9 | -153.2 | -129.9 | 4.6 | 114.5 | H703 | H703-R705 VanDerWaalsContact C-N 3.33Å; H703-R705 PolarHBondContact O-N 3.41Å |
| 706 | K | 51.1 | Low | 45.4 | Very low | 182 Ų | 182 | 167 Ų | 167 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -102.8 | -13.7 | 176.7 | -68 | -170.2 | 177.2 | -176 | 0 | 114.2 | H703 L704 | H703-K706 PolarHBondContact O-N 3.12Å; L704-K706 PolarHBondContact O-N 3.08Å; L704-K706 VanDerWaalsContact O-N 3.09Å |
| 707 | Q | 48.5 | Very low | 45.2 | Very low | 125 Ų | 125 | 161.2 Ų | 161.2 | 58% | 0.584 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -88.7 | -29.8 | 179.2 | -164.4 | 169.1 | -18.8 | 0 | 0 | 112.5 | L704 Q709 R710 | L704-Q707 PolarHBondContact O-N 2.93Å; L704-Q707 VanDerWaalsContact O-N 3.16Å; Q707-Q709 PolarHBondContact O-N 2.88Å; Q707-Q709 VanDerWaalsContact O-N 3.16Å; Q707-R710 PolarHBondContact O-N 3.31Å |
| 708 | W | 41.1 | Very low | 44.7 | Very low | 181 Ų | 181 | 155.9 Ų | 155.9 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -15.1 | 177.5 | -85.2 | 91.2 | 0 | 0 | 0 | 115.3 | R710 | W708-R710 VanDerWaalsContact C-N 3.35Š|
| 709 | Q | 53.8 | Low | 44.2 | Very low | 164 Ų | 164 | 154 Ų | 154 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 8.8 | 171.6 | -71.7 | -172.8 | -47.8 | 0 | 0 | 113.7 | Q707 | Q707-Q709 PolarHBondContact O-N 2.88Å; Q707-Q709 VanDerWaalsContact O-N 3.16Å |
| 710 | R | 47.8 | Very low | 44 | Very low | 226 Ų | 226 | 153.1 Ų | 153.1 | 85% | 0.853 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -125.7 | 5 | 178.2 | -72.5 | -66.4 | -169.2 | -120.7 | 8.6 | 114.2 | Q707 W708 | Q707-R710 PolarHBondContact O-N 3.31Å; W708-R710 VanDerWaalsContact C-N 3.35Å |
| 711 | H | 42 | Very low | 43.4 | Very low | 114 Ų | 114 | 157.2 Ų | 157.2 | 53% | 0.528 | 74% | 0.742 | S | S | . | * | | | trans | -137.6 | 92.1 | 171.1 | 174.1 | 61 | 0 | 0 | 0 | 109.3 | Q713 | H711-Q713 PolarHBondContact ND1-O 2.97Š|
| 712 | K | 44.1 | Very low | 42.2 | Very low | 193 Ų | 193 | 155.5 Ų | 155.5 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | | | trans | -139.1 | 19.4 | 177 | -113.8 | -71.5 | -177.1 | 175.9 | 0 | 112.2 | | |
| 713 | Q | 47.8 | Very low | 41.2 | Very low | 151 Ų | 151 | 158.7 Ų | 158.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -138.4 | 154.4 | 171.6 | -71.1 | -179.9 | -32.1 | 0 | 0 | 107.7 | H711 | H711-Q713 PolarHBondContact ND1-O 2.97Š|
| 714 | W | 35.7 | Very low | 39.9 | Very low | 228 Ų | 228 | 158.3 Ų | 158.3 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | 69.3 | 79.9 | 177.6 | -51.1 | 99.9 | 0 | 0 | 0 | 116.6 | | |
| 715 | S | 38.7 | Very low | 39.3 | Very low | 117 Ų | 117 | 157.5 Ų | 157.5 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -166.6 | 104.1 | 142.8 | -78.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 716 | D | 34.7 | Very low | 38.5 | Very low | 155 Ų | 155 | 156 Ų | 156 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | -146 | 121.3 | 167.7 | -168.7 | 24 | 0 | 0 | 0 | 108.7 | G718 | D716-G718 PolarHBondContact O-N 3.33Š|
| 717 | P | 42.4 | Very low | 37.5 | Very low | 121 Ų | 121 | 155.3 Ų | 155.3 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -94.3 | 77.2 | -166.8 | 35.9 | -34.7 | 0 | 0 | 0 | 113.5 | | |
| 718 | G | 33.2 | Very low | 36.8 | Very low | 78 Ų | 78 | 159.8 Ų | 159.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -84.7 | 111 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | D716 | D716-G718 PolarHBondContact O-N 3.33Š|
| 719 | V | 32.6 | Very low | 36.3 | Very low | 124 Ų | 124 | 158.8 Ų | 158.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -92.6 | 137.4 | 172.6 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 720 | R | 34.6 | Very low | 35.3 | Very low | 192 Ų | 192 | 162.9 Ų | 162.9 | 73% | 0.725 | 78% | 0.78 | S | S | * | * | | | trans | 157.7 | 110.2 | 132.7 | -80.3 | -72.7 | 168.1 | 149.8 | -2.7 | 112.8 | | |
| 721 | H | 31 | Very low | 34.6 | Very low | 157 Ų | 157 | 158.2 Ų | 158.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 70.8 | 111.4 | 135.3 | -63.2 | -15.4 | 0 | 0 | 0 | 123.4 | | |
| 722 | F | 30.8 | Very low | 34.7 | Very low | 180 Ų | 180 | 158.4 Ų | 158.4 | 79% | 0.789 | 79% | 0.788 | S | S | * | * | | | trans | 52.2 | 112.8 | 139.2 | -56 | -64.2 | 0 | 0 | 0 | 121.5 | | |
| 723 | Q | 29.3 | Very low | 34.4 | Very low | 187 Ų | 187 | 157.8 Ų | 157.8 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | | -161.5 | 155.8 | 98.3 | -104.2 | 173.5 | 7.9 | 0 | 0 | 114 | | |
| 724 | T | 28.1 | Very low | 33.8 | Very low | 122 Ų | 122 | 162 Ų | 162 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -26.1 | 154 | 166.5 | 45.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 725 | S | 30 | Very low | 33.7 | Very low | 86 Ų | 86 | 163 Ų | 163 | 60% | 0.601 | 81% | 0.806 | S | S | * | * | | | cis | -178.3 | 175.4 | 0.4 | 44.2 | 0 | 0 | 0 | 0 | 113 | | |
| 726 | F | 32.1 | Very low | 33.5 | Very low | 193 Ų | 193 | 160.6 Ų | 160.6 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | 79.1 | 75.3 | 158.9 | -62.1 | -60.2 | 0 | 0 | 0 | 121.7 | | |
| 727 | E | 29.4 | Very low | 33.4 | Very low | 167 Ų | 167 | 162.1 Ų | 162.1 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | | | | -20.9 | 122.2 | 128.3 | 171.3 | 174 | -158.6 | 0 | 0 | 117.8 | | |
| 728 | R | 33.7 | Very low | 33.1 | Very low | 220 Ų | 220 | 161.2 Ų | 161.2 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | | -171.7 | 154.1 | 109.3 | -126.2 | 172.6 | -64 | 179.6 | 1.5 | 116.5 | | |
| 729 | H | 29.9 | Very low | 33.3 | Very low | 160 Ų | 160 | 163.6 Ų | 163.6 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -42.6 | 153.4 | 167.7 | -72.2 | -127.9 | 0 | 0 | 0 | 116.8 | | |
| 730 | R | 32.5 | Very low | 33.3 | Very low | 249 Ų | 249 | 164.9 Ų | 164.9 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | | | | -158.5 | 159.4 | 128.5 | -110.8 | 172.3 | -166.7 | 109.3 | -4.2 | 113.9 | | |
| 731 | V | 34 | Very low | 33 | Very low | 129 Ų | 129 | 166.5 Ų | 166.5 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | | | trans | -101.5 | 150.4 | 178.7 | 165.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 732 | P | 43.8 | Very low | 33.7 | Very low | 117 Ų | 117 | 163.6 Ų | 163.6 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | trans | -85.1 | 155.8 | -157.3 | 33 | -37.2 | 0 | 0 | 0 | 115.5 | | |
| 733 | L | 37.2 | Very low | 34 | Very low | 181 Ų | 181 | 162.4 Ų | 162.4 | 95% | 0.948 | 80% | 0.803 | S | S | * | * | | | trans | -129.1 | 164.6 | 165.3 | -72.9 | 174.6 | 0 | 0 | 0 | 110.3 | | |
| 734 | R | 36 | Very low | 34.1 | Very low | 240 Ų | 240 | 159.5 Ų | 159.5 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -102.5 | 147.3 | -166.8 | -89 | -175.4 | 165 | 121.9 | -5.5 | 114 | | |
| 735 | R | 33.6 | Very low | 34.2 | Very low | 248 Ų | 248 | 158.9 Ų | 158.9 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | trans | 51.8 | 106 | 141.9 | -175.6 | -168.3 | -75.9 | -164.5 | -4.3 | 117.2 | | |
| 736 | G | 34.3 | Very low | 34.3 | Very low | 67 Ų | 67 | 159.3 Ų | 159.3 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | 160.4 | 137.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 737 | E | 32.9 | Very low | 34.3 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | 61.5 | 94.5 | 140.1 | -70.9 | 157.3 | -150.1 | 0 | 0 | 121.6 | | |
| 738 | S | 35.9 | Very low | 34.6 | Very low | 103 Ų | 103 | 159.6 Ų | 159.6 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | | 55.6 | 106 | 126.8 | 59.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 739 | V | 37.8 | Very low | 34.4 | Very low | 127 Ų | 127 | 156 Ų | 156 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | | 37.5 | 128.5 | 128.4 | -146.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 740 | N | 32.5 | Very low | 34.6 | Very low | 151 Ų | 151 | 154.8 Ų | 154.8 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | | | trans | 125.3 | 142.6 | 146 | -66.6 | -64.4 | 0 | 0 | 0 | 116.5 | | |
| 741 | Y | 28.5 | Very low | 34.6 | Very low | 226 Ų | 226 | 150.7 Ų | 150.7 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | | | trans | -125.9 | 174.3 | 171.6 | -98.7 | -87.9 | 0 | 0 | 0 | 106.7 | | |
| 742 | P | 45.5 | Very low | 35.2 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 63% | 0.63 | 78% | 0.778 | S | S | * | * | | | cis | -130.7 | 169.3 | -7.9 | 34.2 | -16.1 | 0 | 0 | 0 | 114.8 | | |
| 743 | L | 36.2 | Very low | 34.7 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | trans | 55.1 | 155 | 147.9 | -63.6 | 166.1 | 0 | 0 | 0 | 118.8 | | |
| 744 | D | 32.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 152 Ų | 152 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | | | cis | -158.8 | 171.3 | 27.6 | -146.6 | -7.1 | 0 | 0 | 0 | 115.4 | | |
| 745 | T | 31.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | | | trans | 18.8 | 136.3 | 163.1 | 70.9 | 0 | 0 | 0 | 0 | 124.4 | | |
| 746 | S | 30.3 | Very low | 34.7 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | | 124.8 | 148.2 | 114.6 | 88.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 747 | Y | 33 | Very low | 34.7 | Very low | 206 Ų | 206 | 141.9 Ų | 141.9 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | 26.7 | 140.5 | 158.8 | -56.5 | -67 | 0 | 0 | 0 | 121.4 | | |
| 748 | H | 36.7 | Very low | 35.6 | Very low | 160 Ų | 160 | 138.7 Ų | 138.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | | | cis | 164.1 | 168.5 | -11.3 | -124.4 | -112.4 | 0 | 0 | 0 | 105.2 | | |
| 749 | I | 29.5 | Very low | 35.5 | Very low | 146 Ų | 146 | 141 Ų | 141 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 85.1 | 114.4 | 158 | -67.6 | 158.9 | 0 | 0 | 0 | 121.1 | | |
| 750 | T | 33.8 | Very low | 35.9 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | 48.3 | 143 | 150.2 | 61.1 | 0 | 0 | 0 | 0 | 126.3 | | |
| 751 | L | 31.8 | Very low | 36.3 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -66.2 | 179.8 | 165.5 | -48.4 | 169.9 | 0 | 0 | 0 | 112.6 | | |
| 752 | P | 46 | Very low | 37 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | | | cis | -147.9 | -176.9 | 9.8 | 44.1 | -23.9 | 0 | 0 | 0 | 119.5 | | |
| 753 | R | 34 | Very low | 36.6 | Very low | 215 Ų | 215 | 138.8 Ų | 138.8 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | | | trans | 84.3 | 146.5 | 140.6 | -94.9 | -179.5 | -173.2 | 109.5 | 1.6 | 122.8 | | |
| 754 | I | 32.7 | Very low | 36.7 | Very low | 142 Ų | 142 | 139 Ų | 139 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | trans | 69.3 | 114.2 | 159.2 | -61.3 | 154.5 | 0 | 0 | 0 | 113.8 | | |
| 755 | V | 39.6 | Very low | 36.7 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | cis | 73.8 | 91.5 | 48.8 | -174.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 756 | S | 35.4 | Very low | 36.8 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -150.1 | 149.2 | 152.9 | -82.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 757 | A | 33.8 | Very low | 36.7 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | -129.2 | -155.4 | 156 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 758 | P | 51 | Low | 36.5 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | | -108.4 | -178.3 | -55.9 | 38.9 | -26.9 | 0 | 0 | 0 | 111.2 | | |
| 759 | D | 33.5 | Very low | 36.2 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | trans | -163.2 | 139.4 | 152.5 | -101.9 | -5.8 | 0 | 0 | 0 | 104.2 | | |
| 760 | E | 46.2 | Very low | 37.5 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | cis | 123.1 | 126.1 | 21.7 | -90.7 | -141 | 155.7 | 0 | 0 | 108.6 | | |
| 761 | E | 41.3 | Very low | 37.2 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 58.6 | 161.1 | 161.4 | -55.3 | -161.1 | 147.2 | 0 | 0 | 118.9 | | |
| 762 | T | 43.9 | Very low | 37.1 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | cis | -146.9 | 174.6 | -6.3 | -4.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 763 | S | 37.8 | Very low | 37.1 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | cis | -157.6 | -176.3 | 4.5 | -155.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 764 | D | 36.8 | Very low | 36.7 | Very low | 157 Ų | 157 | 127.4 Ų | 127.4 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | | | trans | -73.3 | 165.4 | 176.5 | -61 | -81.4 | 0 | 0 | 0 | 115.7 | | |
| 765 | G | 33.1 | Very low | 36.6 | Very low | 80 Ų | 80 | 126 Ų | 126 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -174.2 | 66.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 766 | T | 31.8 | Very low | 36 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -89.5 | 131.3 | -169.4 | -58.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 767 | G | 28.4 | Very low | 37.1 | Very low | 54 Ų | 54 | 127.7 Ų | 127.7 | 56% | 0.557 | 77% | 0.767 | S | S | * | * | | | | 102.9 | 132.7 | 128.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 768 | S | 29.9 | Very low | 36.7 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 67.1 | 156.9 | 142 | 76.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 769 | T | 30.5 | Very low | 35.6 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | cis | -156.7 | 167.1 | -22.9 | 14.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 770 | P | 57.4 | Low | 35.3 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -91.2 | 168.7 | -172.5 | 37.9 | -37 | 0 | 0 | 0 | 114.4 | | |
| 771 | D | 27.3 | Very low | 34.4 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -156.8 | -178.2 | 132.9 | -137.5 | -48.7 | 0 | 0 | 0 | 112.8 | | |
| 772 | T | 28.5 | Very low | 33.6 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | trans | -104.2 | -162 | -161.8 | 61.2 | 0 | 0 | 0 | 0 | 112 | | |
| 773 | P | 45.7 | Very low | 32.9 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | cis | -133.4 | -171.4 | -14.4 | 35.2 | -14.6 | 0 | 0 | 0 | 114.8 | | |
| 774 | K | 26.3 | Very low | 32.6 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | | 142.3 | 123.5 | 121.3 | -165.4 | 171 | -178.7 | 177.9 | 0 | 118.8 | | |
| 775 | V | 30.9 | Very low | 32.4 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | 67.5 | 109.4 | 149.4 | 171.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 776 | E | 27 | Very low | 32.2 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | | | | 52.4 | 141.5 | 118.4 | -141.7 | 159.6 | -152.4 | 0 | 0 | 124.4 | | |
| 777 | P | 58.6 | Low | 32.3 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | | | trans | -118 | 170 | -176 | 43.9 | -34.4 | 0 | 0 | 0 | 116.9 | | |
| 778 | T | 25.4 | Very low | 32.2 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | | | trans | -168.8 | 141.5 | 160.1 | 25.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 779 | S | 26.9 | Very low | 32.1 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | cis | 103.5 | 104.9 | 27.8 | 76.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 780 | T | 27.1 | Very low | 31.9 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | -177.6 | 142 | 154.2 | 23.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 781 | E | 27.9 | Very low | 30.5 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | | | cis | 88.5 | 144.7 | 23.7 | -67.1 | -153.2 | 149.3 | 0 | 0 | 117.9 | | |
| 782 | S | 25.7 | Very low | 30.6 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | 73 | 162.4 | 164.4 | 77 | 0 | 0 | 0 | 0 | 119.2 | | |
| 783 | E | 27.4 | Very low | 30.6 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | | -170.8 | 168 | -50.6 | -145.3 | -168 | 151.2 | 0 | 0 | 108.3 | | |
| 784 | L | 32.7 | Very low | 29.8 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 60% | 0.597 | 74% | 0.737 | S | S | * | * | | | trans | 69.1 | 162.9 | 155.1 | -111.7 | 59.4 | 0 | 0 | 0 | 116.7 | | |
| 785 | R | 31.4 | Very low | 30.1 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | | | cis | -156 | 153.4 | 6.3 | -165.2 | 165.6 | -121.2 | 178 | 5.5 | 111.4 | | |
| 786 | N | 29.8 | Very low | 30.2 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | | | trans | 151.9 | 106.9 | 138.8 | -76.6 | -29.2 | 0 | 0 | 0 | 109.9 | | |
| 787 | K | 34.2 | Very low | 30.4 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | | | | 87.4 | 136.2 | 61.2 | -83.1 | -170.9 | 171 | -174 | 0 | 114.4 | | |
| 788 | K | 25.4 | Very low | 29 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | | | trans | 84.8 | 135.5 | 162.2 | -150.4 | 176.5 | -178.2 | -171.7 | 0 | 114.8 | | |
| 789 | L | 28.5 | Very low | 29.1 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | | | cis | -173.5 | 131.2 | -12.4 | -179.6 | 78.8 | 0 | 0 | 0 | 112.3 | | |
| 790 | T | 26.5 | Very low | 29 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | trans | 32.1 | 141.1 | 155.4 | 66.8 | 0 | 0 | 0 | 0 | 124.4 | | |
| 791 | V | 27.6 | Very low | 28.9 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | | | | 159.9 | 118.1 | 115.7 | 156.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 792 | T | 29.7 | Very low | 28.8 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | trans | 40 | 147.7 | 148.7 | 68.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 793 | D | 28 | Very low | 29.8 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | cis | -163.9 | 158.8 | 4.6 | -127 | 39.2 | 0 | 0 | 0 | 114.6 | | |
| 794 | S | 29.5 | Very low | 30.3 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 58% | 0.58 | 74% | 0.736 | S | S | * | * | | | trans | 50 | 127.9 | 137.8 | -57.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 795 | E | 33 | Very low | 30 | Very low | 178 Ų | 178 | 138.6 Ų | 138.6 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | | | | 68.8 | 145.7 | 61.8 | -69.7 | -168.5 | 164.2 | 0 | 0 | 114.3 | | |
| 796 | E | 32.4 | Very low | 30 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | | | cis | -153.2 | -169.7 | -22 | -133.6 | -147 | 166.2 | 0 | 0 | 109.5 | | |
| 797 | R | 31.4 | Very low | 30.7 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 73% | 0.725 | 75% | 0.75 | S | S | * | * | | | trans | -27.9 | 148.9 | 173.6 | -52.5 | 165.5 | -155.2 | -159 | 4.6 | 118.3 | | |
| 798 | T | 28 | Very low | 30.3 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | | | | 170 | 154.7 | 105 | -69 | 0 | 0 | 0 | 0 | 112.6 | | |
| 799 | S | 27.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -71.7 | 147.3 | 179.7 | -41.1 | 0 | 0 | 0 | 0 | 115 | | |
| 800 | S | 25.3 | Very low | 30.2 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | | 154.9 | 152.4 | 125.5 | 55.9 | 0 | 0 | 0 | 0 | 116 | | |
| 801 | S | 25 | Very low | 30.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | 64.3 | 151.2 | 156.9 | 45.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 802 | L | 26.8 | Very low | 30.6 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | -104.7 | -178.6 | 168.5 | -58.9 | 137.7 | 0 | 0 | 0 | 108.8 | | |
| 803 | P | 45 | Very low | 30.5 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | cis | -116.9 | -127.5 | -21.3 | 24.5 | 2 | 0 | 0 | 0 | 108.1 | | |
| 804 | P | 38.6 | Very low | 30.5 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | cis | -136.7 | -134 | -14.6 | 44.7 | -23 | 0 | 0 | 0 | 115.2 | | |
| 805 | L | 27.2 | Very low | 30.4 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | -93.9 | 170.7 | -174.9 | -54.3 | 153.4 | 0 | 0 | 0 | 111.3 | | |
| 806 | Q | 30.4 | Very low | 30.1 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | cis | -172.3 | -168.8 | 43.3 | -125.8 | -164.9 | 9.6 | 0 | 0 | 108.3 | | |
| 807 | P | 44.1 | Very low | 30 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | | | cis | -134.8 | 174.7 | -23.4 | 39.1 | -22.1 | 0 | 0 | 0 | 115.4 | | |
| 808 | S | 25.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -154 | 160.8 | 135.8 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 809 | L | 25.7 | Very low | 29.7 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | -115 | 139.9 | -159.4 | -82.9 | 154.5 | 0 | 0 | 0 | 114.1 | | |
| 810 | F | 26.4 | Very low | 29.7 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | | -168.1 | 163.1 | 102.7 | -121.4 | -103.6 | 0 | 0 | 0 | 113.6 | | |
| 811 | E | 30.2 | Very low | 29.7 | Very low | 143 Ų | 143 | 135 Ų | 135 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | | | trans | -23.1 | 158.9 | 170.4 | -75.5 | -168 | 112.6 | 0 | 0 | 120.9 | | |
| 812 | K | 31.7 | Very low | 29.8 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 64% | 0.643 | 75% | 0.753 | S | S | * | * | | | cis | -178.3 | 157.3 | -2.2 | 157.4 | 174 | 173.4 | 178.7 | 0 | 112.5 | | |
| 813 | D | 28.7 | Very low | 29.8 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 75% | 0.749 | S | S | * | * | | | trans | 56.9 | 147 | 168.4 | -63 | -22.9 | 0 | 0 | 0 | 118.9 | | |
| 814 | G | 28.4 | Very low | 29 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | cis | 166.8 | 113 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 815 | G | 27.2 | Very low | 28.5 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | 75.5 | 167.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 816 | L | 27 | Very low | 28.6 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | | | cis | -158.7 | 105.3 | -10 | -168.7 | 67.9 | 0 | 0 | 0 | 106.1 | | |
| 817 | V | 29 | Very low | 28.6 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 67% | 0.667 | 73% | 0.726 | S | S | * | * | | | | 83.5 | 122.3 | 97.6 | 129.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 818 | E | 27.5 | Very low | 27.9 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | trans | 63.2 | 166.9 | 146.4 | -67.9 | -169.7 | 135.3 | 0 | 0 | 120.8 | | |
| 819 | Q | 26.8 | Very low | 27.9 | Very low | 142 Ų | 142 | 137 Ų | 137 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | cis | -172.9 | 168.9 | -32.7 | -177.7 | -178.9 | 97 | 0 | 0 | 106.9 | | |
| 820 | L | 27.1 | Very low | 28.1 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | | | trans | 82.5 | 139.2 | 151.8 | -138.1 | 71 | 0 | 0 | 0 | 118.6 | | |
| 821 | D | 24.8 | Very low | 28 | Very low | 134 Ų | 134 | 134 Ų | 134 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | trans | -61.7 | 174.2 | -176 | -47.3 | -91.1 | 0 | 0 | 0 | 116.1 | | |
| 822 | T | 26.2 | Very low | 28.8 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | | | | 130 | 136.6 | 129.8 | -50.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 823 | Q | 28.1 | Very low | 29.4 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | 56.9 | 115.8 | 166.6 | -76.2 | 166.8 | -105.8 | 0 | 0 | 117.4 | | |
| 824 | E | 27.1 | Very low | 29.2 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | | 70 | 98.8 | 65.6 | -67 | -146.2 | 133.4 | 0 | 0 | 115 | | |
| 825 | D | 28.2 | Very low | 30.1 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | | 87.6 | 149.7 | 121.4 | -165.3 | 43 | 0 | 0 | 0 | 120.6 | | |
| 826 | S | 29.3 | Very low | 30.8 | Very low | 54 Ų | 54 | 135.5 Ų | 135.5 | 38% | 0.378 | 74% | 0.74 | S | S | . | * | | | trans | 81.3 | 102 | 150.8 | -87.7 | 0 | 0 | 0 | 0 | 121 | | |
| 827 | K | 31.8 | Very low | 30.9 | Very low | 167 Ų | 167 | 135 Ų | 135 | 73% | 0.726 | 74% | 0.738 | S | S | * | * | | | trans | 79.9 | 155.8 | 135.9 | -52.4 | 169.1 | -176 | 90.3 | 0 | 115.4 | | |
| 828 | Q | 29.1 | Very low | 31.1 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | cis | -146.1 | 161.4 | 7.9 | -147.3 | 149 | -51.5 | 0 | 0 | 114.2 | | |
| 829 | C | 24.9 | Very low | 31.3 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | | | trans | -44 | 145.7 | 178.1 | -173.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 830 | G | 29.5 | Very low | 31.4 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | 177.4 | 81.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 831 | H | 26.1 | Very low | 31.9 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | | | trans | -112.3 | 172.3 | 163.5 | -100.8 | -71.9 | 0 | 0 | 0 | 108.9 | | |
| 832 | P | 46.2 | Very low | 32.3 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | | | cis | -121.6 | -155.8 | -7.3 | 37.1 | -15.5 | 0 | 0 | 0 | 110.1 | | |
| 833 | P | 43.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | cis | -137.3 | -179.7 | 3.6 | 43.3 | -23 | 0 | 0 | 0 | 119 | | |
| 834 | E | 26.1 | Very low | 32.9 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | trans | -61.2 | -178.7 | 174.3 | -105.5 | -176.1 | 132.1 | 0 | 0 | 117.4 | | |
| 835 | P | 47.3 | Very low | 33.5 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | | | cis | -131.2 | -146.3 | -15.7 | 41.4 | -22 | 0 | 0 | 0 | 110.2 | | |
| 836 | P | 41.6 | Very low | 33.7 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | | | cis | -132.5 | -178.6 | -19.5 | 40.8 | -23.1 | 0 | 0 | 0 | 116.3 | | |
| 837 | D | 29.4 | Very low | 33.8 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | 89.2 | 148.6 | 139.3 | -86.7 | -44.2 | 0 | 0 | 0 | 125.9 | | |
| 838 | E | 32.3 | Very low | 34 | Very low | 124 Ų | 124 | 134 Ų | 134 | 58% | 0.579 | 78% | 0.778 | S | S | * | * | | | trans | 68.8 | 103.4 | 161.9 | -59.7 | -126.2 | 142.8 | 0 | 0 | 123.7 | | |
| 839 | R | 31.2 | Very low | 34 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | | 73 | 102.6 | 124.9 | -64.6 | 179.5 | 178.5 | 143.1 | 4.5 | 122.4 | | |
| 840 | S | 29.3 | Very low | 34.5 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | | 83.5 | 159.5 | 121.9 | -61.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 841 | P | 37.6 | Very low | 35 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 74% | 0.74 | 76% | 0.759 | S | S | * | * | | | trans | -113.9 | 164.2 | -139.7 | 41.6 | -36.6 | 0 | 0 | 0 | 117.4 | | |
| 842 | P | 33.2 | Very low | 35.6 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 160.4 | 168.2 | 35.3 | -34.3 | 0 | 0 | 0 | 114.1 | | |
| 843 | H | 28.6 | Very low | 35.3 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 154.5 | -179.3 | -97.6 | -111.7 | 0 | 0 | 0 | 115 | | |
| 844 | P | 39.2 | Very low | 35.5 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 136 | 166.1 | 32.7 | -33.3 | 0 | 0 | 0 | 112 | | |
| 845 | P | 38.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 136.7 | 170.2 | 32.3 | -32.4 | 0 | 0 | 0 | 111.9 | | |
| 846 | N | 31.8 | Very low | 37 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 127.3 | 170 | -62.3 | -66.6 | 0 | 0 | 0 | 110.5 | | |
| 847 | S | 32.2 | Very low | 37.7 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | -172.8 | 130.5 | 136.2 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 848 | S | 36.1 | Very low | 38.9 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | | | trans | -23 | 131.6 | 163 | 51.8 | 0 | 0 | 0 | 0 | 119 | | |
| 849 | G | 29.5 | Very low | 40.1 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | | | trans | -156.3 | 76.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G851 | G849-G851 PolarHBondContact O-N 3Š|
| 850 | Y | 35 | Very low | 41.8 | Very low | 250 Ų | 250 | 119.7 Ų | 119.7 | 98% | 0.98 | 71% | 0.711 | S | S | * | * | | | trans | -76.6 | 92.5 | -177.4 | -97.4 | -78.5 | 0 | 0 | 0 | 112.5 | | |
| 851 | G | 40 | Very low | 43.5 | Very low | 44 Ų | 44 | 118.9 Ų | 118.9 | 45% | 0.454 | 70% | 0.698 | S | S | . | * | | | trans | -118.8 | 161.7 | 160 | 0 | 0 | 0 | 0 | 0 | 110.9 | G849 Q853 | G849-G851 PolarHBondContact O-N 3Å; G851-Q853 PolarHBondContact O-N 3.12Å |
| 852 | P | 39.3 | Very low | 45 | Very low | 137 Ų | 137 | 119.6 Ų | 119.6 | 89% | 0.89 | 69% | 0.689 | S | S | * | * | | | trans | -72 | 91 | 177.1 | 30.3 | -33.8 | 0 | 0 | 0 | 110.2 | T854 | P852-T854 PolarHBondContact O-N 3.38Š|
| 853 | Q | 39 | Very low | 46.7 | Very low | 174 Ų | 174 | 118.4 Ų | 118.4 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | | | trans | -64.5 | 119.6 | 176.6 | -70.6 | -179.1 | -9.6 | 0 | 0 | 110.4 | G851 | G851-Q853 PolarHBondContact O-N 3.12Š|
| 854 | T | 47.8 | Very low | 48.5 | Very low | 120 Ų | 120 | 114 Ų | 114 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | | | trans | -61.1 | 132.6 | 159.8 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | P852 T856 | P852-T854 PolarHBondContact O-N 3.38Å; T854-T856 PolarHBondContact O-N 2.73Å |
| 855 | I | 48.7 | Very low | 49.6 | Very low | 134 Ų | 134 | 112 Ų | 112 | 69% | 0.687 | 65% | 0.65 | S | S | * | * | | | trans | -59.8 | 114.3 | 177.1 | -57.5 | 171.3 | 0 | 0 | 0 | 108.1 | T860 | I855-T860 HydrophobicContact CG2-CG2 4.1Š|
| 856 | T | 55.7 | Low | 51 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 53% | 0.528 | 64% | 0.635 | S | S | . | * | | | trans | -77.6 | 145.3 | 176 | 49.6 | 0 | 0 | 0 | 0 | 110 | T854 E858 L859 | T854-T856 PolarHBondContact O-N 2.73Å; T856-E858 PolarHBondContact O-N 3.34Å; T856-L859 PolarHBondContact O-N 3.17Å |
| 857 | A | 56.3 | Low | 52.9 | Low | 68 Ų | 68 | 107.7 Ų | 107.7 | 56% | 0.562 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -51.4 | -43.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L859 T860 D861 | A857-L859 PolarHBondContact O-N 2.82Å; A857-T860 WeakPolarHBondContact CA-OG1 3.23Å; A857-T860 CarbonylContact O-C 3.54Å; A857-T860 WeakPolarHBondContact O-CA 3.36Å; A857-T860 PolarHBondContact O-N 3.29Å; A857-T860 PolarHBondContact O-OG1 3.4Å; A857-D861 PolarHBondContact O-N 3.12Å; A857-D861 VanDerWaalsContact O-OD2 3.14Å |
| 858 | E | 55.8 | Low | 54.8 | Low | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -52 | -34.3 | 176.5 | -67.2 | -173.7 | -145.9 | 0 | 0 | 114.7 | T856 D861 K862 | T856-E858 PolarHBondContact O-N 3.34Å; E858-D861 PolarHBondContact O-N 3.4Å; E858-K862 VanDerWaalsContact O-CB 3.24Å; E858-K862 WeakPolarHBondContact O-CB 3.39Å; E858-K862 VanDerWaalsContact O-CD 3.25Å; E858-K862 WeakPolarHBondContact O-CD 3.42Å; E858-K862 WeakPolarHBondContact O-CG 3.4Å; E858-K862 PolarHBondContact O-N 2.94Å; E858-K862 IonicContact OE2-NZ 3.99Å; E858-K862 PolarHBondContact OE2-NZ 3.06Å |
| 859 | L | 58 | Low | 56.3 | Low | 96 Ų | 96 | 105.2 Ų | 105.2 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -79.6 | -32.5 | -177.1 | -162.9 | 143.6 | 0 | 0 | 0 | 111.1 | T856 A857 L863 | T856-L859 PolarHBondContact O-N 3.17Å; A857-L859 PolarHBondContact O-N 2.82Å; L859-L863 HydrophobicContact CD2-CD1 3.92Å; L859-L863 WeakPolarHBondContact O-CB 3.39Å; L859-L863 VanDerWaalsContact O-CG 3.28Å; L859-L863 WeakPolarHBondContact O-CG 3.42Å; L859-L863 PolarHBondContact O-N 3.19Å; L859-L863 VanDerWaalsContact O-N 3.09Å |
| 860 | T | 66.6 | Low | 58.2 | Low | 62 Ų | 62 | 111.9 Ų | 111.9 | 38% | 0.38 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.3 | -39.2 | 164.9 | 25.8 | 0 | 0 | 0 | 0 | 112.2 | I855 A857 L863 T864 | I855-T860 HydrophobicContact CG2-CG2 4.1Å; A857-T860 WeakPolarHBondContact CA-OG1 3.23Å; A857-T860 CarbonylContact O-C 3.54Å; A857-T860 WeakPolarHBondContact O-CA 3.36Å; A857-T860 PolarHBondContact O-N 3.29Å; A857-T860 PolarHBondContact O-OG1 3.4Å; T860-L863 PolarHBondContact O-N 3.21Å; T860-T864 WeakPolarHBondContact O-CB 3.34Å; T860-T864 PolarHBondContact O-N 3.4Å; T860-T864 PolarHBondContact O-OG1 3.33Å |
| 861 | D | 63.8 | Low | 59.7 | Low | 98 Ų | 98 | 106 Ų | 106 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.3 | -43.6 | 179.3 | -59 | -30.2 | 0 | 0 | 0 | 110.9 | A857 E858 L863 T864 S865 | A857-D861 PolarHBondContact O-N 3.12Å; A857-D861 VanDerWaalsContact O-OD2 3.14Å; E858-D861 PolarHBondContact O-N 3.4Å; D861-L863 VanDerWaalsContact C-N 3.33Å; D861-L863 PolarHBondContact O-N 2.69Å; D861-T864 PolarHBondContact O-N 3.03Å; D861-S865 PolarHBondContact O-N 3.29Å; D861-S865 PolarHBondContact O-OG 3.46Å |
| 862 | K | 70.3 | Confident | 60.8 | Low | 128 Ų | 128 | 109.5 Ų | 109.5 | 56% | 0.557 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.5 | -31.1 | 174.6 | -72.1 | 160.9 | -174.1 | 164 | 0 | 112.9 | E858 S865 N866 | E858-K862 VanDerWaalsContact O-CB 3.24Å; E858-K862 WeakPolarHBondContact O-CB 3.39Å; E858-K862 VanDerWaalsContact O-CD 3.25Å; E858-K862 WeakPolarHBondContact O-CD 3.42Å; E858-K862 WeakPolarHBondContact O-CG 3.4Å; E858-K862 PolarHBondContact O-N 2.94Å; E858-K862 IonicContact OE2-NZ 3.99Å; E858-K862 PolarHBondContact OE2-NZ 3.06Å; K862-S865 PolarHBondContact O-OG 3.46Å; K862-N866 WeakPolarHBondContact O-CB 3.16Å; K862-N866 PolarHBondContact O-N 3.48Å |
| 863 | L | 67.9 | Low | 61.6 | Low | 100 Ų | 100 | 104.8 Ų | 104.8 | 52% | 0.524 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.1 | -39.4 | 170.2 | -79 | 169.6 | 0 | 0 | 0 | 111.9 | L859 T860 D861 L867 | L859-L863 HydrophobicContact CD2-CD1 3.92Å; L859-L863 WeakPolarHBondContact O-CB 3.39Å; L859-L863 VanDerWaalsContact O-CG 3.28Å; L859-L863 WeakPolarHBondContact O-CG 3.42Å; L859-L863 PolarHBondContact O-N 3.19Å; L859-L863 VanDerWaalsContact O-N 3.09Å; T860-L863 PolarHBondContact O-N 3.21Å; D861-L863 VanDerWaalsContact C-N 3.33Å; D861-L863 PolarHBondContact O-N 2.69Å; L863-L867 WeakPolarHBondContact O-CB 3.17Å; L863-L867 VanDerWaalsContact O-CG 3.28Å; L863-L867 WeakPolarHBondContact O-CG 3.46Å; L863-L867 PolarHBondContact O-N 2.99Å |
| 864 | T | 66.2 | Low | 62 | Low | 90 Ų | 90 | 99.2 Ų | 99.2 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.2 | -45.4 | -178.9 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | T860 D861 L867 D868 | T860-T864 WeakPolarHBondContact O-CB 3.34Å; T860-T864 PolarHBondContact O-N 3.4Å; T860-T864 PolarHBondContact O-OG1 3.33Å; D861-T864 PolarHBondContact O-N 3.03Å; T864-L867 PolarHBondContact O-N 3.39Å; T864-D868 WeakPolarHBondContact O-CB 3.4Å; T864-D868 PolarHBondContact O-N 3.1Å |
| 865 | S | 62.8 | Low | 62 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 176 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | D861 K862 L867 D868 E869 | D861-S865 PolarHBondContact O-N 3.29Å; D861-S865 PolarHBondContact O-OG 3.46Å; K862-S865 PolarHBondContact O-OG 3.46Å; S865-L867 VanDerWaalsContact C-N 3.32Å; S865-L867 PolarHBondContact O-N 3.47Å; S865-D868 PolarHBondContact O-N 2.95Å; S865-E869 WeakPolarHBondContact O-CG 3.3Å; S865-E869 PolarHBondContact O-N 3.08Å |
| 866 | N | 68.9 | Low | 62.3 | Low | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.3 | -26.7 | 179.2 | -158.6 | -110.8 | 0 | 0 | 0 | 113 | K862 R870 | K862-N866 WeakPolarHBondContact O-CB 3.16Å; K862-N866 PolarHBondContact O-N 3.48Å; N866-R870 WeakPolarHBondContact O-CB 3.25Å; N866-R870 PolarHBondContact O-N 2.84Å |
| 867 | L | 70.4 | Confident | 62 | Low | 104 Ų | 104 | 103.9 Ų | 103.9 | 55% | 0.545 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.9 | -43.1 | 168 | -73.7 | 170.2 | 0 | 0 | 0 | 111.8 | L863 T864 S865 R870 L871 | L863-L867 WeakPolarHBondContact O-CB 3.17Å; L863-L867 VanDerWaalsContact O-CG 3.28Å; L863-L867 WeakPolarHBondContact O-CG 3.46Å; L863-L867 PolarHBondContact O-N 2.99Å; T864-L867 PolarHBondContact O-N 3.39Å; S865-L867 VanDerWaalsContact C-N 3.32Å; S865-L867 PolarHBondContact O-N 3.47Å; L867-R870 PolarHBondContact O-N 2.78Å; L867-L871 WeakPolarHBondContact O-CB 3.33Å; L867-L871 VanDerWaalsContact O-CG 3.3Å; L867-L871 WeakPolarHBondContact O-CG 3.23Å; L867-L871 PolarHBondContact O-N 3.27Å |
| 868 | D | 72.3 | Confident | 61.4 | Low | 69 Ų | 69 | 106.2 Ų | 106.2 | 37% | 0.369 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 178.9 | -170.3 | 82.3 | 0 | 0 | 0 | 112.1 | T864 S865 R870 L871 Y872 R876 | T864-D868 WeakPolarHBondContact O-CB 3.4Å; T864-D868 PolarHBondContact O-N 3.1Å; S865-D868 PolarHBondContact O-N 2.95Å; D868-R870 VanDerWaalsContact C-N 3.32Å; D868-R870 PolarHBondContact O-N 3.04Å; D868-L871 PolarHBondContact O-N 3.42Å; D868-Y872 WeakPolarHBondContact O-CB 3.34Å; D868-Y872 WeakPolarHBondContact O-CD2 3.46Å; D868-Y872 PolarHBondContact O-N 2.91Å; D868-Y872 WeakPolarHBondContact OD1-CD2 3.3Å; D868-Y872 WeakPolarHBondContact OD1-CE2 3.38Å; D868-R876 IonicContact OD2-NH2 2.78Å; D868-R876 PolarHBondContact OD2-NH2 2.83Å |
| 869 | E | 67.5 | Low | 60.9 | Low | 107 Ų | 107 | 108.9 Ų | 108.9 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.9 | -46.9 | 171.4 | -74.1 | -170.5 | 132.6 | 0 | 0 | 111.2 | S865 L871 A873 | S865-E869 WeakPolarHBondContact O-CG 3.3Å; S865-E869 PolarHBondContact O-N 3.08Å; E869-L871 VanDerWaalsContact C-N 3.33Å; E869-L871 PolarHBondContact O-N 3.12Å; E869-A873 WeakPolarHBondContact O-CA 3.46Å; E869-A873 WeakPolarHBondContact O-CB 3.37Å; E869-A873 PolarHBondContact O-N 3.16Å |
| 870 | R | 70.9 | Confident | 60.2 | Low | 207 Ų | 207 | 110.8 Ų | 110.8 | 78% | 0.781 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.6 | -27.4 | -175 | -165.8 | 170.6 | -170.5 | 162.7 | 2.9 | 113.6 | N866 L867 D868 | N866-R870 WeakPolarHBondContact O-CB 3.25Å; N866-R870 PolarHBondContact O-N 2.84Å; L867-R870 PolarHBondContact O-N 2.78Å; D868-R870 VanDerWaalsContact C-N 3.32Å; D868-R870 PolarHBondContact O-N 3.04Å |
| 871 | L | 65.8 | Low | 58.7 | Low | 125 Ų | 125 | 111.5 Ų | 111.5 | 65% | 0.654 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -85.7 | -44.1 | 175.7 | -68.7 | 169.7 | 0 | 0 | 0 | 112 | L867 D868 E869 | L867-L871 WeakPolarHBondContact O-CB 3.33Å; L867-L871 VanDerWaalsContact O-CG 3.3Å; L867-L871 WeakPolarHBondContact O-CG 3.23Å; L867-L871 PolarHBondContact O-N 3.27Å; D868-L871 PolarHBondContact O-N 3.42Å; E869-L871 VanDerWaalsContact C-N 3.33Å; E869-L871 PolarHBondContact O-N 3.12Å |
| 872 | Y | 63.9 | Low | 57.5 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -98.8 | -13.3 | -171.5 | -65.1 | -76.6 | 0 | 0 | 0 | 115.3 | D868 A874 L875 R876 | D868-Y872 WeakPolarHBondContact O-CB 3.34Å; D868-Y872 WeakPolarHBondContact O-CD2 3.46Å; D868-Y872 PolarHBondContact O-N 2.91Å; D868-Y872 WeakPolarHBondContact OD1-CD2 3.3Å; D868-Y872 WeakPolarHBondContact OD1-CE2 3.38Å; Y872-A874 PolarHBondContact O-N 3.3Å; Y872-L875 HydrophobicContact CD1-CD2 4.31Å; Y872-L875 WeakPolarHBondContact O-CB 3.43Å; Y872-L875 PolarHBondContact O-N 3.28Å; Y872-R876 WeakPolarHBondContact O-CG 3.37Å; Y872-R876 PolarHBondContact O-N 2.87Å |
| 873 | A | 56.2 | Low | 55.9 | Low | 37 Ų | 37 | 112.8 Ų | 112.8 | 31% | 0.306 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.6 | -17.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E869 R877 | E869-A873 WeakPolarHBondContact O-CA 3.46Å; E869-A873 WeakPolarHBondContact O-CB 3.37Å; E869-A873 PolarHBondContact O-N 3.16Å; A873-R877 PolarHBondContact O-N 3.45Å; A873-R877 PolarHBondContact O-NE 3.25Å; A873-R877 VanDerWaalsContact O-NE 3.14Å |
| 874 | A | 46.9 | Very low | 54.3 | Low | 57 Ų | 57 | 117 Ų | 117 | 47% | 0.471 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.9 | -41 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y872 | Y872-A874 PolarHBondContact O-N 3.3Å |
| 875 | L | 47.9 | Very low | 52.6 | Low | 122 Ų | 122 | 117.9 Ų | 117.9 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.3 | -28.6 | -178.5 | -146.1 | 77.9 | 0 | 0 | 0 | 113 | Y872 T878 | Y872-L875 HydrophobicContact CD1-CD2 4.31Å; Y872-L875 WeakPolarHBondContact O-CB 3.43Å; Y872-L875 PolarHBondContact O-N 3.28Å; L875-T878 PolarHBondContact O-OG1 2.95Å |
| 876 | R | 55.4 | Low | 51.1 | Low | 129 Ų | 129 | 121.5 Ų | 121.5 | 49% | 0.487 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.1 | -42.5 | 173.5 | -63.2 | 175.9 | -153.2 | 178.6 | 8.1 | 111.2 | D868 Y872 T878 K879 | D868-R876 IonicContact OD2-NH2 2.78Å; D868-R876 PolarHBondContact OD2-NH2 2.83Å; Y872-R876 WeakPolarHBondContact O-CG 3.37Å; Y872-R876 PolarHBondContact O-N 2.87Å; R876-T878 PolarHBondContact O-N 2.78Å; R876-T878 VanDerWaalsContact O-N 3.11Å; R876-K879 WeakPolarHBondContact O-CB 3.48Å; R876-K879 PolarHBondContact O-N 3.22Å |
| 877 | R | 47.5 | Very low | 49.3 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -14.2 | -179.5 | -87.8 | -176.7 | -70.9 | 120.1 | -4.6 | 115.6 | A873 | A873-R877 PolarHBondContact O-N 3.45Å; A873-R877 PolarHBondContact O-NE 3.25Å; A873-R877 VanDerWaalsContact O-NE 3.14Å |
| 878 | T | 45.3 | Very low | 47.4 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 72% | 0.718 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 1.3 | 173.1 | 45.1 | 0 | 0 | 0 | 0 | 114 | L875 R876 | L875-T878 PolarHBondContact O-OG1 2.95Å; R876-T878 PolarHBondContact O-N 2.78Å; R876-T878 VanDerWaalsContact O-N 3.11Å |
| 879 | K | 44.2 | Very low | 45.6 | Very low | 176 Ų | 176 | 127.2 Ų | 127.2 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -27.7 | -179.2 | -165.9 | 172.4 | 179.9 | -179.2 | 0 | 114.1 | R876 A881 | R876-K879 WeakPolarHBondContact O-CB 3.48Å; R876-K879 PolarHBondContact O-N 3.22Å; K879-A881 PolarHBondContact O-N 3.42Å |
| 880 | D | 42.7 | Very low | 43.7 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | | | trans | -105.7 | 48.8 | -168.8 | -54.4 | -37.9 | 0 | 0 | 0 | 112.5 | | |
| 881 | A | 36.3 | Very low | 41.8 | Very low | 77 Ų | 77 | 121.7 Ų | 121.7 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | | | trans | -108.1 | 120.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | K879 | K879-A881 PolarHBondContact O-N 3.42Š|
| 882 | P | 37.8 | Very low | 40.3 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | | | trans | -74.8 | 135.1 | -175.4 | 29.3 | -34.2 | 0 | 0 | 0 | 112.2 | E884 | P882-E884 PolarHBondContact O-N 2.73Š|
| 883 | T | 37.9 | Very low | 38.8 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | | | trans | -79.3 | 106.5 | 178.5 | -43.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 884 | E | 32.8 | Very low | 37.6 | Very low | 189 Ų | 189 | 128.5 Ų | 128.5 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | -83.8 | 120.9 | 162.5 | -76.4 | -164.5 | 134 | 0 | 0 | 110.5 | P882 | P882-E884 PolarHBondContact O-N 2.73Š|
| 885 | C | 31.6 | Very low | 38 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | | | trans | -86.1 | 127.3 | 177.9 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 886 | V | 30.6 | Very low | 37.2 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | -118.9 | 111.7 | 159 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 887 | T | 31.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -90.8 | 132.2 | -179.3 | 50.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 888 | V | 30.4 | Very low | 35.3 | Very low | 140 Ų | 140 | 130 Ų | 130 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -128.4 | 142.7 | 156.3 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 889 | T | 33.3 | Very low | 35.4 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -122.5 | 171.9 | -162.7 | 48.5 | 0 | 0 | 0 | 0 | 113 | | |
| 890 | A | 29.3 | Very low | 35.1 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | | | trans | 76 | 143.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 891 | A | 29.5 | Very low | 34.8 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | cis | -155.1 | 168.8 | -10.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 892 | H | 35.6 | Very low | 34.7 | Very low | 200 Ų | 200 | 134.5 Ų | 134.5 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | | | trans | -80.2 | 138.8 | 171.1 | -68.5 | -89.4 | 0 | 0 | 0 | 112.2 | | |
| 893 | A | 31.7 | Very low | 34.5 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | | | trans | -147.7 | 154.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 894 | S | 30.4 | Very low | 34.3 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | | | trans | -99.2 | 176.3 | -179.8 | -125.5 | 0 | 0 | 0 | 0 | 111 | | |
| 895 | P | 56.7 | Low | 34.4 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 70% | 0.695 | 83% | 0.827 | S | S | * | * | | | trans | -80.1 | 160.9 | -161.4 | 34.7 | -37.8 | 0 | 0 | 0 | 113.5 | | |
| 896 | D | 31.2 | Very low | 34.6 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | | | trans | -159.1 | 147.5 | 139 | -104.4 | -28.9 | 0 | 0 | 0 | 113.9 | | |
| 897 | H | 34.7 | Very low | 34.9 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 78% | 0.778 | 83% | 0.833 | S | S | * | * | | | trans | -5 | 122.7 | 167.9 | -68.2 | -78.1 | 0 | 0 | 0 | 124 | | |
| 898 | S | 27.9 | Very low | 35.1 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 84% | 0.84 | S | S | * | * | | | | 75.8 | 176.4 | 115.4 | -137.2 | 0 | 0 | 0 | 0 | 119 | | |
| 899 | P | 46.5 | Very low | 35.5 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 70% | 0.695 | 84% | 0.839 | S | S | * | * | | | | -133.1 | 166.5 | -83.1 | 41.9 | -27.6 | 0 | 0 | 0 | 115.5 | | |
| 900 | V | 38.9 | Very low | 35.7 | Very low | 223 Ų | 223 | 134.6 Ų | 134.6 | 100% | 1.352 | 85% | 0.847 | S | S | * | * | | | trans | -145 | 0 | 135.8 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | | |