| 1 | M | 50.5 | Low | 45.7 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 100% | 1.02 | 73% | 0.731 | S | S | * | * | | | | 0 | -45.7 | 0 | -66.7 | 177.4 | 79.6 | 0 | 0 | 113.1 | I3 | M1-I3 PolarHBondContact O-N 2.98Š|
| 2 | W | 42.4 | Very low | 45.2 | Very low | 228 Ų | 228 | 140.3 Ų | 140.3 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -64.3 | -31.1 | -173.1 | -77.2 | 53.9 | 0 | 0 | 0 | 116.1 | Q4 Q5 | W2-Q4 VanDerWaalsContact C-N 3.34Å; W2-Q4 PolarHBondContact O-N 3.29Å; W2-Q5 PolarHBondContact O-N 3.39Å; W2-Q5 VanDerWaalsContact O-N 3.16Å |
| 3 | I | 48.3 | Very low | 44.9 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -64.6 | -33.4 | -176.7 | -64.6 | 169.9 | 0 | 0 | 0 | 113 | M1 Q5 L6 | M1-I3 PolarHBondContact O-N 2.98Å; I3-Q5 PolarHBondContact O-N 3.46Å; I3-L6 PolarHBondContact O-N 2.87Å |
| 4 | Q | 46.1 | Very low | 44.6 | Very low | 163 Ų | 163 | 137 Ų | 137 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -66.4 | -25.8 | 177.3 | -84 | 175.7 | -46.4 | 0 | 0 | 113 | W2 G8 | W2-Q4 VanDerWaalsContact C-N 3.34Å; W2-Q4 PolarHBondContact O-N 3.29Å; Q4-G8 PolarHBondContact O-N 3.49Å |
| 5 | Q | 47.7 | Very low | 44.7 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -78.4 | -21.7 | -175.7 | -157.9 | 160.9 | 2.9 | 0 | 0 | 112.8 | W2 I3 | W2-Q5 PolarHBondContact O-N 3.39Å; W2-Q5 VanDerWaalsContact O-N 3.16Å; I3-Q5 PolarHBondContact O-N 3.46Å |
| 6 | L | 44.4 | Very low | 44.4 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -77.4 | -37.9 | 172.8 | -72.4 | 168.6 | 0 | 0 | 0 | 112.4 | I3 G8 L9 | I3-L6 PolarHBondContact O-N 2.87Å; L6-G8 PolarHBondContact O-N 2.89Å; L6-L9 PolarHBondContact O-N 3.33Å |
| 7 | L | 48.2 | Very low | 44.6 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -66.1 | -27.5 | 175.8 | -87.1 | 73.5 | 0 | 0 | 0 | 112.6 | L9 | L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 3.34Å |
| 8 | G | 40.3 | Very low | 44.9 | Very low | 54 Ų | 54 | 139 Ų | 139 | 56% | 0.557 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -25.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q4 L6 | Q4-G8 PolarHBondContact O-N 3.49Å; L6-G8 PolarHBondContact O-N 2.89Å |
| 9 | L | 46.9 | Very low | 45.3 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -28.8 | -178.6 | -75 | 162.8 | 0 | 0 | 0 | 112.9 | L6 L7 S11 | L6-L9 PolarHBondContact O-N 3.33Å; L7-L9 VanDerWaalsContact C-N 3.28Å; L7-L9 PolarHBondContact O-N 3.34Å; L9-S11 PolarHBondContact O-N 3.47Å |
| 10 | S | 43.6 | Very low | 45.7 | Very low | 109 Ų | 109 | 142.8 Ų | 142.8 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -1.9 | 176 | -58 | 0 | 0 | 0 | 0 | 114.4 | | |
| 11 | S | 43.8 | Very low | 46.1 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 14 | -178.5 | -166.4 | 0 | 0 | 0 | 0 | 114.2 | L9 | L9-S11 PolarHBondContact O-N 3.47Š|
| 12 | M | 39.6 | Very low | 46.4 | Very low | 159 Ų | 159 | 135 Ų | 135 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | | | trans | -94.1 | 90.2 | 162.6 | -67.4 | -152.2 | 76.9 | 0 | 0 | 109.9 | I14 | M12-I14 WeakPolarHBondContact O-CG1 3.25Å; M12-I14 PolarHBondContact O-N 2.9Å |
| 13 | S | 41.9 | Very low | 47.2 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | trans | -69.2 | 92.8 | 171.7 | 52.9 | 0 | 0 | 0 | 0 | 110 | H15 | S13-H15 VanDerWaalsContact C-N 3.28Å; S13-H15 PolarHBondContact O-N 3.35Å |
| 14 | I | 41.1 | Very low | 47.8 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 66% | 0.662 | 70% | 0.698 | S | S | * | * | | | trans | -72.8 | 82.5 | 179.2 | -50.2 | -176.4 | 0 | 0 | 0 | 110 | M12 W16 | M12-I14 WeakPolarHBondContact O-CG1 3.25Å; M12-I14 PolarHBondContact O-N 2.9Å; I14-W16 VanDerWaalsContact C-N 3.33Å; I14-W16 HydrophobicContact CG2-CG 4.13Å; I14-W16 VanDerWaalsContact CG2-NE1 3.26Å; I14-W16 PolarHBondContact O-N 3.13Å |
| 15 | H | 45.3 | Very low | 49.2 | Very low | 179 Ų | 179 | 121.6 Ų | 121.6 | 83% | 0.829 | 68% | 0.68 | S | S | * | * | | | trans | -71.7 | 84 | 168.2 | -105 | -62.2 | 0 | 0 | 0 | 110.2 | S13 | S13-H15 VanDerWaalsContact C-N 3.28Å; S13-H15 PolarHBondContact O-N 3.35Å |
| 16 | W | 40.9 | Very low | 50.5 | Low | 222 Ų | 222 | 123.7 Ų | 123.7 | 84% | 0.841 | 68% | 0.682 | S | S | * | * | | | trans | -77.1 | 128.6 | 163.8 | -78.9 | 115.5 | 0 | 0 | 0 | 110.2 | I14 | I14-W16 VanDerWaalsContact C-N 3.33Å; I14-W16 HydrophobicContact CG2-CG 4.13Å; I14-W16 VanDerWaalsContact CG2-NE1 3.26Å; I14-W16 PolarHBondContact O-N 3.13Å |
| 17 | P | 47.3 | Very low | 52 | Low | 117 Ų | 117 | 122.5 Ų | 122.5 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | | | trans | -78.6 | 124.9 | 178.4 | 30 | -33.8 | 0 | 0 | 0 | 112.6 | | |
| 18 | G | 50.1 | Low | 53.3 | Low | 66 Ų | 66 | 122.2 Ų | 122.2 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | | | trans | 46.9 | 98.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 19 | R | 52 | Low | 55 | Low | 231 Ų | 231 | 124 Ų | 124 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | | | | -173.5 | 146 | 126.7 | -98.3 | 151 | -162.7 | -98.4 | 2.9 | 111.4 | L21 | R19-L21 VanDerWaalsContact C-N 3.29Å; R19-L21 PolarHBondContact O-N 3.47Å |
| 20 | P | 53.3 | Low | 56.4 | Low | 122 Ų | 122 | 120.6 Ų | 120.6 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -84.4 | 57.5 | -173.5 | 36.1 | -37.7 | 0 | 0 | 0 | 113.3 | | |
| 21 | L | 54.9 | Low | 58 | Low | 150 Ų | 150 | 120.8 Ų | 120.8 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | | | trans | -97.8 | -0.3 | 171 | -99.9 | 67.5 | 0 | 0 | 0 | 113.5 | R19 | R19-L21 VanDerWaalsContact C-N 3.29Å; R19-L21 PolarHBondContact O-N 3.47Å |
| 22 | G | 56.1 | Low | 59.4 | Low | 36 Ų | 36 | 122.7 Ų | 122.7 | 37% | 0.371 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -78.6 | -21.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | H24 A25 W26 | G22-H24 PolarHBondContact O-N 3.23Å; G22-A25 WeakPolarHBondContact O-CB 3.3Å; G22-A25 PolarHBondContact O-N 3.17Å; G22-W26 PolarHBondContact O-N 2.87Å; G22-W26 VanDerWaalsContact O-N 3.13Å |
| 23 | S | 59.6 | Low | 60.9 | Low | 70 Ų | 70 | 119.9 Ų | 119.9 | 49% | 0.49 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.8 | -48.7 | -172.8 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | A25 W26 I27 | S23-A25 VanDerWaalsContact C-N 3.32Å; S23-A25 PolarHBondContact O-N 2.99Å; S23-W26 PolarHBondContact O-N 3.33Å; S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.46Å; S23-I27 VanDerWaalsContact O-N 3.17Å |
| 24 | H | 61.3 | Low | 61.9 | Low | 133 Ų | 133 | 120 Ų | 120 | 62% | 0.616 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.1 | -29.1 | 177.5 | -67.8 | -68.5 | 0 | 0 | 0 | 112.9 | G22 I27 L28 | G22-H24 PolarHBondContact O-N 3.23Å; H24-I27 PolarHBondContact O-N 3.49Å; H24-L28 WeakPolarHBondContact O-CB 3.23Å; H24-L28 VanDerWaalsContact O-CG 3.3Å; H24-L28 WeakPolarHBondContact O-CG 3.46Å; H24-L28 PolarHBondContact O-N 3.28Å |
| 25 | A | 74.1 | Confident | 63.1 | Low | 47 Ų | 47 | 116.7 Ų | 116.7 | 39% | 0.388 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.5 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | G22 S23 I27 L28 I29 | G22-A25 WeakPolarHBondContact O-CB 3.3Å; G22-A25 PolarHBondContact O-N 3.17Å; S23-A25 VanDerWaalsContact C-N 3.32Å; S23-A25 PolarHBondContact O-N 2.99Å; A25-I27 PolarHBondContact O-N 3.01Å; A25-L28 PolarHBondContact O-N 3.28Å; A25-I29 WeakPolarHBondContact O-CB 3.44Å; A25-I29 WeakPolarHBondContact O-CD1 3.49Å; A25-I29 VanDerWaalsContact O-CG1 3.23Å; A25-I29 WeakPolarHBondContact O-CG1 3.49Å; A25-I29 PolarHBondContact O-N 2.78Å |
| 26 | W | 75.7 | Confident | 64 | Low | 189 Ų | 189 | 111.8 Ų | 111.8 | 72% | 0.716 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.7 | -37.6 | 174.4 | -73.1 | 111.9 | 0 | 0 | 0 | 113 | G22 S23 I29 A30 | G22-W26 PolarHBondContact O-N 2.87Å; G22-W26 VanDerWaalsContact O-N 3.13Å; S23-W26 PolarHBondContact O-N 3.33Å; W26-I29 PolarHBondContact O-N 3.25Å; W26-A30 VanDerWaalsContact O-CB 3.32Å; W26-A30 WeakPolarHBondContact O-CB 3.38Å; W26-A30 PolarHBondContact O-N 2.91Å |
| 27 | I | 75.8 | Confident | 64.5 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.4 | -44 | 175.1 | -65.6 | 165.4 | 0 | 0 | 0 | 110.9 | S23 H24 A25 A30 M31 | S23-I27 WeakPolarHBondContact O-CG1 3.44Å; S23-I27 PolarHBondContact O-N 3.46Å; S23-I27 VanDerWaalsContact O-N 3.17Å; H24-I27 PolarHBondContact O-N 3.49Å; A25-I27 PolarHBondContact O-N 3.01Å; I27-A30 PolarHBondContact O-N 3.07Å; I27-M31 HydrophobicContact CG2-CG 4.46Å; I27-M31 WeakPolarHBondContact O-CB 3.34Å; I27-M31 WeakPolarHBondContact O-CG 3.28Å; I27-M31 PolarHBondContact O-N 3.49Å |
| 28 | L | 75.3 | Confident | 64.5 | Low | 122 Ų | 122 | 106.5 Ų | 106.5 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.5 | -39.6 | 177.1 | -71.9 | 170.4 | 0 | 0 | 0 | 112 | H24 A25 M31 F32 | H24-L28 WeakPolarHBondContact O-CB 3.23Å; H24-L28 VanDerWaalsContact O-CG 3.3Å; H24-L28 WeakPolarHBondContact O-CG 3.46Å; H24-L28 PolarHBondContact O-N 3.28Å; A25-L28 PolarHBondContact O-N 3.28Å; L28-M31 PolarHBondContact O-N 2.95Å; L28-F32 VanDerWaalsContact O-CB 3.25Å; L28-F32 WeakPolarHBondContact O-CB 3.41Å; L28-F32 PolarHBondContact O-N 2.76Å |
| 29 | I | 76.3 | Confident | 64.5 | Low | 91 Ų | 91 | 108.1 Ų | 108.1 | 47% | 0.467 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.5 | -45.2 | 173.4 | -68.9 | 162.9 | 0 | 0 | 0 | 110.5 | A25 W26 F32 Q33 | A25-I29 WeakPolarHBondContact O-CB 3.44Å; A25-I29 WeakPolarHBondContact O-CD1 3.49Å; A25-I29 VanDerWaalsContact O-CG1 3.23Å; A25-I29 WeakPolarHBondContact O-CG1 3.49Å; A25-I29 PolarHBondContact O-N 2.78Å; W26-I29 PolarHBondContact O-N 3.25Å; I29-F32 PolarHBondContact O-N 3.45Å; I29-Q33 WeakPolarHBondContact O-CG 3.42Å; I29-Q33 PolarHBondContact O-N 2.88Å |
| 30 | A | 76.1 | Confident | 64.2 | Low | 61 Ų | 61 | 101.1 Ų | 101.1 | 50% | 0.504 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W26 I27 Q33 L34 | W26-A30 VanDerWaalsContact O-CB 3.32Å; W26-A30 WeakPolarHBondContact O-CB 3.38Å; W26-A30 PolarHBondContact O-N 2.91Å; I27-A30 PolarHBondContact O-N 3.07Å; A30-Q33 PolarHBondContact O-N 2.93Å; A30-L34 WeakPolarHBondContact O-CB 3.32Å; A30-L34 PolarHBondContact O-N 2.88Å |
| 31 | M | 77.3 | Confident | 63.6 | Low | 113 Ų | 113 | 101.2 Ų | 101.2 | 56% | 0.557 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.6 | -37.8 | 174 | -74.8 | -62.4 | -59.1 | 0 | 0 | 112.5 | I27 L28 L34 A35 | I27-M31 HydrophobicContact CG2-CG 4.46Å; I27-M31 WeakPolarHBondContact O-CB 3.34Å; I27-M31 WeakPolarHBondContact O-CG 3.28Å; I27-M31 PolarHBondContact O-N 3.49Å; L28-M31 PolarHBondContact O-N 2.95Å; M31-L34 PolarHBondContact O-N 3.26Å; M31-A35 WeakPolarHBondContact O-CB 3.43Å; M31-A35 PolarHBondContact O-N 2.88Å |
| 32 | F | 73.7 | Confident | 63 | Low | 138 Ų | 138 | 102.9 Ų | 102.9 | 61% | 0.605 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.1 | -42.8 | 177.5 | -168.8 | -97 | 0 | 0 | 0 | 111.6 | L28 I29 A35 V36 | L28-F32 VanDerWaalsContact O-CB 3.25Å; L28-F32 WeakPolarHBondContact O-CB 3.41Å; L28-F32 PolarHBondContact O-N 2.76Å; I29-F32 PolarHBondContact O-N 3.45Å; F32-A35 PolarHBondContact O-N 3.33Å; F32-V36 HydrophobicContact CD1-CG2 4.01Å; F32-V36 HydrophobicContact CE1-CG2 3.73Å; F32-V36 HydrophobicContact CZ-CG2 4.08Å; F32-V36 WeakPolarHBondContact O-CB 3.36Å; F32-V36 VanDerWaalsContact O-CG2 3.28Å; F32-V36 WeakPolarHBondContact O-CG2 3.42Å; F32-V36 PolarHBondContact O-N 2.96Å |
| 33 | Q | 70.2 | Confident | 62.4 | Low | 99 Ų | 99 | 105.2 Ų | 105.2 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.5 | -47.5 | 171.3 | -69.8 | -61.2 | 114.2 | 0 | 0 | 111 | I29 A30 A35 V36 D37 | I29-Q33 WeakPolarHBondContact O-CG 3.42Å; I29-Q33 PolarHBondContact O-N 2.88Å; A30-Q33 PolarHBondContact O-N 2.93Å; Q33-A35 VanDerWaalsContact C-N 3.28Å; Q33-A35 PolarHBondContact O-N 3.37Å; Q33-V36 CarbonylContact O-C 3.56Å; Q33-V36 PolarHBondContact O-N 3.19Å; Q33-D37 WeakPolarHBondContact O-CB 3.47Å; Q33-D37 PolarHBondContact O-N 3.27Å |
| 34 | L | 64.7 | Low | 61.7 | Low | 107 Ų | 107 | 110.8 Ų | 110.8 | 56% | 0.56 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -56.4 | -41.9 | 176.5 | -159.6 | 82.9 | 0 | 0 | 0 | 112.1 | A30 M31 L38 | A30-L34 WeakPolarHBondContact O-CB 3.32Å; A30-L34 PolarHBondContact O-N 2.88Å; M31-L34 PolarHBondContact O-N 3.26Å; L34-L38 WeakPolarHBondContact O-CB 3.48Å; L34-L38 WeakPolarHBondContact O-CD1 3.37Å; L34-L38 WeakPolarHBondContact O-CG 3.18Å; L34-L38 PolarHBondContact O-N 3.42Å; L34-L38 VanDerWaalsContact O-N 3.08Å |
| 35 | A | 64.7 | Low | 60.4 | Low | 61 Ų | 61 | 107.9 Ų | 107.9 | 50% | 0.504 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.5 | -29.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | M31 F32 Q33 | M31-A35 WeakPolarHBondContact O-CB 3.43Å; M31-A35 PolarHBondContact O-N 2.88Å; F32-A35 PolarHBondContact O-N 3.33Å; Q33-A35 VanDerWaalsContact C-N 3.28Å; Q33-A35 PolarHBondContact O-N 3.37Å |
| 36 | V | 64.1 | Low | 59 | Low | 76 Ų | 76 | 112.5 Ų | 112.5 | 46% | 0.461 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -82.4 | -25.5 | 177 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | F32 Q33 P39 | F32-V36 HydrophobicContact CD1-CG2 4.01Å; F32-V36 HydrophobicContact CE1-CG2 3.73Å; F32-V36 HydrophobicContact CZ-CG2 4.08Å; F32-V36 WeakPolarHBondContact O-CB 3.36Å; F32-V36 VanDerWaalsContact O-CG2 3.28Å; F32-V36 WeakPolarHBondContact O-CG2 3.42Å; F32-V36 PolarHBondContact O-N 2.96Å; Q33-V36 CarbonylContact O-C 3.56Å; Q33-V36 PolarHBondContact O-N 3.19Å; V36-P39 WeakPolarHBondContact O-CD 3.22Å; V36-P39 WeakPolarHBondContact O-CG 3.45Å |
| 37 | D | 52.3 | Low | 56.8 | Low | 113 Ų | 113 | 106.8 Ų | 106.8 | 60% | 0.604 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -86.6 | -17.8 | 174.1 | -67.3 | -35.2 | 0 | 0 | 0 | 112.8 | Q33 | Q33-D37 WeakPolarHBondContact O-CB 3.47Å; Q33-D37 PolarHBondContact O-N 3.27Å |
| 38 | L | 48 | Very low | 55.4 | Low | 114 Ų | 114 | 108 Ų | 108 | 60% | 0.597 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -67.5 | -28.3 | 177.3 | -93.4 | 165.1 | 0 | 0 | 0 | 118.3 | L34 A40 | L34-L38 WeakPolarHBondContact O-CB 3.48Å; L34-L38 WeakPolarHBondContact O-CD1 3.37Å; L34-L38 WeakPolarHBondContact O-CG 3.18Å; L34-L38 PolarHBondContact O-N 3.42Å; L34-L38 VanDerWaalsContact O-N 3.08Å; L38-A40 PolarHBondContact O-N 2.86Å; L38-A40 VanDerWaalsContact O-N 3.09Å |
| 39 | P | 48.7 | Very low | 53.6 | Low | 100 Ų | 100 | 110.4 Ų | 110.4 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -75.3 | 1.9 | -174.5 | 32.7 | -35 | 0 | 0 | 0 | 113.9 | V36 | V36-P39 WeakPolarHBondContact O-CD 3.22Å; V36-P39 WeakPolarHBondContact O-CG 3.45Å |
| 40 | A | 45.8 | Very low | 52 | Low | 85 Ų | 85 | 114.9 Ų | 114.9 | 70% | 0.702 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -83.3 | -11.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L38 | L38-A40 PolarHBondContact O-N 2.86Å; L38-A40 VanDerWaalsContact O-N 3.09Å |
| 41 | C | 41.3 | Very low | 50.1 | Low | 123 Ų | 123 | 123 Ų | 123 | 83% | 0.831 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -115.5 | 4.3 | -170 | -76.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 42 | E | 42.3 | Very low | 48.3 | Very low | 186 Ų | 186 | 124.9 Ų | 124.9 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | | | trans | -108.8 | 55.6 | -177.3 | -164.9 | 160.2 | -146.1 | 0 | 0 | 112.3 | | |
| 43 | A | 42.6 | Very low | 46.6 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | | | trans | -151.3 | 34.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 44 | L | 45.2 | Very low | 45.3 | Very low | 187 Ų | 187 | 127.7 Ų | 127.7 | 98% | 0.979 | 75% | 0.745 | S | S | * | * | | | trans | -155.8 | 86.5 | 162.2 | -142.3 | 71.7 | 0 | 0 | 0 | 114.4 | | |
| 45 | G | 33.4 | Very low | 44 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | trans | -157.3 | 131.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 46 | P | 44.7 | Very low | 42.7 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 94% | 0.935 | 77% | 0.772 | S | S | * | * | | | trans | -87 | 127.5 | -172.2 | 32.6 | -33.3 | 0 | 0 | 0 | 112.7 | | |
| 47 | G | 30 | Very low | 42.1 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | | | trans | -155 | 139.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 48 | P | 47.6 | Very low | 41.8 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | -87 | 175 | -175.2 | 36.5 | -36.7 | 0 | 0 | 0 | 113.2 | | |
| 49 | E | 37.1 | Very low | 41.8 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | | | trans | 83.5 | 120 | 167.4 | -51.1 | -154 | -177 | 0 | 0 | 118.4 | | |
| 50 | F | 41.9 | Very low | 41.8 | Very low | 185 Ų | 185 | 145 Ų | 145 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -37.8 | 147.7 | 169.1 | -48 | -94.3 | 0 | 0 | 0 | 114.8 | | |
| 51 | W | 35.9 | Very low | 41.7 | Very low | 232 Ų | 232 | 147.1 Ų | 147.1 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | | | | -173.3 | 143.5 | 106.5 | -92.5 | 109.1 | 0 | 0 | 0 | 111.2 | | |
| 52 | L | 40.5 | Very low | 41.9 | Very low | 151 Ų | 151 | 152.7 Ų | 152.7 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | | | trans | 56.4 | 75.9 | 159.1 | -54.9 | 175.9 | 0 | 0 | 0 | 119.7 | | |
| 53 | L | 38.1 | Very low | 42.2 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 133 | 147.7 | -90.7 | 80.4 | 0 | 0 | 0 | 110.1 | | |
| 54 | P | 41.6 | Very low | 42.1 | Very low | 127 Ų | 127 | 158.5 Ų | 158.5 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132 | 169.5 | 28.5 | -33 | 0 | 0 | 0 | 110.7 | S56 | P54-S56 PolarHBondContact O-N 3.32Š|
| 55 | R | 37.4 | Very low | 41.8 | Very low | 244 Ų | 244 | 154.5 Ų | 154.5 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 122.3 | -171 | -169.1 | 177.9 | -170.2 | 122.2 | -1.3 | 112 | | |
| 56 | S | 37.2 | Very low | 42 | Very low | 102 Ų | 102 | 159.9 Ų | 159.9 | 71% | 0.713 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 141.4 | 171.3 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | P54 | P54-S56 PolarHBondContact O-N 3.32Š|
| 57 | P | 52.4 | Low | 41.9 | Very low | 117 Ų | 117 | 164.9 Ų | 164.9 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 143.7 | -178.7 | 30.8 | -34.5 | 0 | 0 | 0 | 112.2 | | |
| 58 | P | 46 | Very low | 42.2 | Very low | 128 Ų | 128 | 167 Ų | 167 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137.4 | 177.6 | 29.9 | -34.5 | 0 | 0 | 0 | 111.6 | | |
| 59 | R | 47.1 | Very low | 41.7 | Very low | 239 Ų | 239 | 164.8 Ų | 164.8 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 135.3 | 177.6 | -149.5 | 171.2 | -155.8 | 159.9 | 7.2 | 109.9 | | |
| 60 | P | 50.4 | Low | 42.1 | Very low | 106 Ų | 106 | 163.9 Ų | 163.9 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 151.5 | -174.5 | 26.7 | -35.5 | 0 | 0 | 0 | 113.1 | | |
| 61 | P | 42.9 | Very low | 42.2 | Very low | 128 Ų | 128 | 161.2 Ų | 161.2 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 135.3 | -179.4 | 29.5 | -34.9 | 0 | 0 | 0 | 111.5 | L63 | P61-L63 PolarHBondContact O-N 3.48Š|
| 62 | R | 44.8 | Very low | 42.2 | Very low | 241 Ų | 241 | 153.7 Ų | 153.7 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | | | trans | -86.8 | 103.6 | 174.5 | -73.1 | -168.7 | 175.3 | -160.8 | -1.3 | 110.9 | W64 | R62-W64 PolarHBondContact O-N 2.86Š|
| 63 | L | 49.1 | Very low | 42.2 | Very low | 162 Ų | 162 | 158.4 Ų | 158.4 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | | | trans | -68.9 | 83.2 | 172.9 | -177 | 81.9 | 0 | 0 | 0 | 111.5 | P61 | P61-L63 PolarHBondContact O-N 3.48Š|
| 64 | W | 41.6 | Very low | 42.4 | Very low | 229 Ų | 229 | 156.4 Ų | 156.4 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | -142 | 103 | 165.2 | -84.2 | 92.9 | 0 | 0 | 0 | 111.1 | R62 | R62-W64 PolarHBondContact O-N 2.86Š|
| 65 | S | 38.1 | Very low | 42.5 | Very low | 104 Ų | 104 | 156.2 Ų | 156.2 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -109 | 121 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 66 | F | 37.7 | Very low | 42.4 | Very low | 185 Ų | 185 | 149 Ų | 149 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | -131.3 | 72.7 | 165.8 | -105.7 | -79.6 | 0 | 0 | 0 | 112.7 | S68 | F66-S68 PolarHBondContact O-N 3.05Š|
| 67 | R | 42 | Very low | 42.7 | Very low | 248 Ų | 248 | 149.5 Ų | 149.5 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | | | trans | 21.4 | 90.7 | 139.5 | -165.8 | -174.6 | -154.8 | -114.8 | 5.9 | 117.6 | | |
| 68 | S | 36.3 | Very low | 41.9 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -153.3 | 143.4 | 150.7 | 61.7 | 0 | 0 | 0 | 0 | 112.2 | F66 | F66-S68 PolarHBondContact O-N 3.05Š|
| 69 | G | 38.6 | Very low | 41.3 | Very low | 75 Ų | 75 | 154.7 Ų | 154.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | 56.6 | 64.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 70 | Q | 44.3 | Very low | 40.7 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | | | trans | -113.4 | 146.2 | 147.1 | -74.3 | -69.2 | -22 | 0 | 0 | 107.7 | | |
| 71 | P | 44.6 | Very low | 40.3 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | | | | -122.3 | 131.2 | 84.4 | 35.3 | -30.9 | 0 | 0 | 0 | 114 | | |
| 72 | A | 35.3 | Very low | 39.9 | Very low | 73 Ų | 73 | 154.1 Ų | 154.1 | 60% | 0.603 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 151 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | V74 | A72-V74 PolarHBondContact O-N 2.89Š|
| 73 | R | 41 | Very low | 40 | Very low | 250 Ų | 250 | 148 Ų | 148 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124 | 166.6 | -76.4 | -173.9 | 173.5 | 119.4 | -2.2 | 109.4 | | |
| 74 | V | 42.3 | Very low | 39.7 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 129.7 | 172.9 | 178.8 | 0 | 0 | 0 | 0 | 109.7 | A72 A76 | A72-V74 PolarHBondContact O-N 2.89Å; V74-A76 PolarHBondContact O-N 3.4Å |
| 75 | P | 43.6 | Very low | 39.5 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | -78.9 | 109.6 | 166 | 31 | -30.3 | 0 | 0 | 0 | 109.6 | | |
| 76 | A | 36.1 | Very low | 39.5 | Very low | 92 Ų | 92 | 148.7 Ų | 148.7 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | | | trans | -86.2 | 140.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V74 | V74-A76 PolarHBondContact O-N 3.4Š|
| 77 | P | 42.2 | Very low | 39.4 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | | | trans | -93.4 | 153.2 | -172.2 | 37.2 | -36.9 | 0 | 0 | 0 | 114.4 | | |
| 78 | V | 35.6 | Very low | 39.2 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 75% | 0.745 | 79% | 0.785 | S | S | * | * | | | trans | 62.4 | 106.1 | 134 | 174.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 79 | W | 34 | Very low | 39 | Very low | 230 Ų | 230 | 144.7 Ų | 144.7 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | | | trans | 80.8 | 99.4 | 146 | -69.9 | 44.5 | 0 | 0 | 0 | 122.7 | | |
| 80 | S | 33.2 | Very low | 38.8 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | 58.8 | 167.4 | 130.3 | 79.5 | 0 | 0 | 0 | 0 | 122.3 | | |
| 81 | P | 42.6 | Very low | 38.2 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | cis | -121.5 | -175.4 | -26.5 | 37.8 | -22.4 | 0 | 0 | 0 | 113.3 | | |
| 82 | R | 34.1 | Very low | 37.7 | Very low | 239 Ų | 239 | 148.3 Ų | 148.3 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | trans | -102.4 | 173 | 161.4 | -67.8 | -173.3 | -178 | -180 | 1.5 | 109.2 | | |
| 83 | P | 46.9 | Very low | 37.7 | Very low | 112 Ų | 112 | 153 Ų | 153 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | cis | -127.5 | -159.6 | 4.8 | 39.7 | -18.2 | 0 | 0 | 0 | 112.2 | | |
| 84 | P | 42.8 | Very low | 37.6 | Very low | 124 Ų | 124 | 149 Ų | 149 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | | | | -130.9 | 169.4 | 72.8 | 34.5 | -19.4 | 0 | 0 | 0 | 114.8 | | |
| 85 | R | 39.2 | Very low | 37.4 | Very low | 241 Ų | 241 | 150.9 Ų | 150.9 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | | | trans | -84.8 | 145.6 | 167.9 | -69.7 | 176.4 | 174.6 | 165.2 | -3.4 | 110 | | |
| 86 | V | 37.7 | Very low | 37.8 | Very low | 145 Ų | 145 | 150 Ų | 150 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | -126.8 | 139.6 | 147.9 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 87 | E | 35.6 | Very low | 37.8 | Very low | 137 Ų | 137 | 157.2 Ų | 157.2 | 64% | 0.64 | 79% | 0.794 | S | S | * | * | | | trans | -124.3 | 162.6 | -179 | -171.8 | -165.8 | -132.8 | 0 | 0 | 107.1 | | |
| 88 | R | 36.8 | Very low | 37.6 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | 77.7 | 153.2 | 169.1 | -50 | -178.8 | -161.5 | 162.2 | 7.4 | 115.1 | | |
| 89 | I | 32.5 | Very low | 37.8 | Very low | 126 Ų | 126 | 161.4 Ų | 161.4 | 65% | 0.646 | 80% | 0.8 | S | S | * | * | | | cis | -150.6 | 157 | -11 | -120.9 | 167.2 | 0 | 0 | 0 | 111.6 | | |
| 90 | H | 34 | Very low | 38 | Very low | 170 Ų | 170 | 159.8 Ų | 159.8 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | | | trans | 17.3 | 115.5 | 163.9 | -48.9 | -17.4 | 0 | 0 | 0 | 121.5 | | |
| 91 | G | 32.6 | Very low | 38 | Very low | 85 Ų | 85 | 159 Ų | 159 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | | 74.5 | 122 | 97.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 92 | Q | 32.9 | Very low | 37.5 | Very low | 181 Ų | 181 | 161.5 Ų | 161.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -138.8 | 142.7 | 146.3 | -165 | 172.7 | 11.3 | 0 | 0 | 110.5 | | |
| 93 | M | 37 | Very low | 37.8 | Very low | 172 Ų | 172 | 161.1 Ų | 161.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | | | trans | -113.7 | 127.7 | -175.4 | 179.9 | 180 | -179.1 | 0 | 0 | 109.4 | | |
| 94 | Q | 37.6 | Very low | 37.8 | Very low | 166 Ų | 166 | 161.1 Ų | 161.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -137.3 | 121.7 | 169.7 | -72.2 | -159.2 | 26.6 | 0 | 0 | 112.4 | | |
| 95 | M | 39.1 | Very low | 37.4 | Very low | 166 Ų | 166 | 165.5 Ų | 165.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -166.9 | 169.7 | 177.2 | -87.6 | -61.2 | 160.8 | 0 | 0 | 106.2 | | |
| 96 | P | 50.7 | Low | 37 | Very low | 105 Ų | 105 | 161 Ų | 161 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | | | cis | -134 | 170.8 | -34.8 | 37.9 | -23.3 | 0 | 0 | 0 | 112.7 | | |
| 97 | R | 35.9 | Very low | 37 | Very low | 243 Ų | 243 | 162.8 Ų | 162.8 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -140.6 | 126.5 | 152.1 | -69.5 | -170.6 | 171.3 | 157.3 | -1.5 | 108.4 | | |
| 98 | A | 39.2 | Very low | 36.7 | Very low | 86 Ų | 86 | 161.6 Ų | 161.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | | 75.2 | 132.7 | 50.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 99 | R | 39.3 | Very low | 36.4 | Very low | 238 Ų | 238 | 157.1 Ų | 157.1 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | cis | -155.7 | 172.2 | 1.4 | -98.3 | 158 | -177.5 | 177.3 | 0.8 | 106.9 | | |
| 100 | R | 39.1 | Very low | 36.3 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | | | cis | -133.7 | -131.7 | 4.4 | -142.3 | 171 | -178 | 174.7 | -0.6 | 107.9 | H102 | R100-H102 PolarHBondContact NE-NE2 2.9Å; R100-H102 PolarHBondContact NH1-NE2 2.77Å; R100-H102 VanDerWaalsContact NH1-NE2 3.19Å; R100-H102 PolarHBondContact NH2-NE2 3.24Å |
| 101 | A | 32.3 | Very low | 36.3 | Very low | 85 Ų | 85 | 155.1 Ų | 155.1 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | | | cis | -151.7 | 127.9 | -9.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 102 | H | 33 | Very low | 36.6 | Very low | 174 Ų | 174 | 157 Ų | 157 | 81% | 0.806 | 81% | 0.807 | S | S | * | * | | | | 89.1 | 124.4 | 87.3 | -86.6 | -59.8 | 0 | 0 | 0 | 117.4 | R100 | R100-H102 PolarHBondContact NE-NE2 2.9Å; R100-H102 PolarHBondContact NH1-NE2 2.77Å; R100-H102 VanDerWaalsContact NH1-NE2 3.19Å; R100-H102 PolarHBondContact NH2-NE2 3.24Å |
| 103 | R | 40.5 | Very low | 37.1 | Very low | 231 Ų | 231 | 154 Ų | 154 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | -112 | 166.3 | 177.2 | -128.9 | -177.4 | -175.2 | -176 | 2.1 | 107.1 | | |
| 104 | P | 46.3 | Very low | 36.8 | Very low | 111 Ų | 111 | 156.9 Ų | 156.9 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | | | | -160 | -177.2 | 69.1 | 43.2 | -22.4 | 0 | 0 | 0 | 117.7 | | |
| 105 | R | 34.2 | Very low | 36.4 | Very low | 217 Ų | 217 | 154 Ų | 154 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | | | trans | 57.9 | 151.5 | 155.4 | -99.6 | -178.9 | 159 | 101 | -0.2 | 118.2 | | |
| 106 | D | 31.1 | Very low | 36 | Very low | 147 Ų | 147 | 149.4 Ų | 149.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | cis | -144.9 | -176.9 | 39.1 | -104.9 | -36.9 | 0 | 0 | 0 | 116.2 | | |
| 107 | Q | 37.5 | Very low | 35.1 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -115.6 | 128 | 171.1 | -64.5 | 174 | -11.8 | 0 | 0 | 110.8 | | |
| 108 | A | 30.2 | Very low | 34.9 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | | | trans | -161.7 | 162.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 109 | A | 28.8 | Very low | 34.7 | Very low | 105 Ų | 105 | 151 Ų | 151 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -119.9 | 140.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 110 | A | 30.9 | Very low | 35.1 | Very low | 93 Ų | 93 | 145.2 Ų | 145.2 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -170.1 | 146.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 111 | L | 33.5 | Very low | 36 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | cis | -154.4 | 145.1 | -14.8 | -115.7 | 173.2 | 0 | 0 | 0 | 108.7 | | |
| 112 | V | 39.8 | Very low | 36 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | | | trans | -107.7 | 142 | 167.9 | 170.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 113 | P | 42.3 | Very low | 35.8 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | | | trans | -126.4 | 138.1 | 138.4 | 33.9 | -24.1 | 0 | 0 | 0 | 111.2 | | |
| 114 | R | 31.9 | Very low | 35.2 | Very low | 232 Ų | 232 | 131.9 Ų | 131.9 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | | | cis | -166.1 | 137.5 | -2.6 | -171 | -174.5 | -170.5 | -152.8 | 5.3 | 110 | | |
| 115 | A | 29.5 | Very low | 34.3 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | | | trans | 60.4 | 150 | 168 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 116 | G | 29.6 | Very low | 34 | Very low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | cis | -174.3 | 128.6 | -8.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 117 | L | 32.3 | Very low | 34 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | | | trans | 67.3 | 105.4 | 139.8 | -151.9 | 69.7 | 0 | 0 | 0 | 122.5 | | |
| 118 | A | 31.4 | Very low | 34.8 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | trans | 69.3 | 161.3 | 139.3 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 119 | K | 35.4 | Very low | 34.7 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -139.5 | 176 | -179.7 | -118.2 | -179.9 | 176.4 | 175.6 | 0 | 106.5 | | |
| 120 | P | 47.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | cis | -122.8 | -106.8 | -3 | 21.6 | 4.9 | 0 | 0 | 0 | 116.1 | | |
| 121 | P | 56.9 | Low | 34.8 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | | | | -127.5 | 167.6 | -119.9 | 41.4 | -24.6 | 0 | 0 | 0 | 118.4 | | |
| 122 | A | 32.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 128.8 Ų | 128.8 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | 52.2 | 111 | 147.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 123 | A | 28.3 | Very low | 34.3 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -156.2 | 165.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 124 | A | 28.9 | Very low | 33.9 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | trans | -110.3 | 171.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 125 | K | 28.1 | Very low | 33.9 | Very low | 209 Ų | 209 | 121 Ų | 121 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | 78.6 | 150.6 | 174.9 | -52.8 | 170.3 | 179.4 | 175 | 0 | 113.9 | | |
| 126 | S | 27.4 | Very low | 34 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | cis | -143.2 | 152.2 | 8.5 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 127 | N | 29.9 | Very low | 34 | Very low | 152 Ų | 152 | 122 Ų | 122 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | -64.9 | -176 | 158.6 | -71.8 | -5.7 | 0 | 0 | 0 | 112 | | |
| 128 | P | 54.6 | Low | 33.9 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | -136.2 | 171.5 | -40.4 | 34.3 | -17.6 | 0 | 0 | 0 | 114.4 | | |
| 129 | S | 28.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -155.4 | 134.5 | 142.6 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 130 | L | 32 | Very low | 33.6 | Very low | 167 Ų | 167 | 116.7 Ų | 116.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | cis | 83.3 | 74.2 | 41 | -73 | 169.8 | 0 | 0 | 0 | 115.2 | | |
| 131 | A | 30.3 | Very low | 32.9 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | | | trans | -172.4 | 139.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 132 | S | 31.2 | Very low | 31.7 | Very low | 112 Ų | 112 | 117.1 Ų | 117.1 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | cis | 65.6 | 123.7 | 48.3 | -49.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 133 | S | 31.9 | Very low | 31.4 | Very low | 106 Ų | 106 | 116.4 Ų | 116.4 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | cis | -153.8 | 178.9 | 20.7 | -51.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 134 | S | 33.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 114.9 Ų | 114.9 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -20.3 | 157 | 144.5 | 55.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 135 | S | 31.4 | Very low | 31.7 | Very low | 99 Ų | 99 | 115.6 Ų | 115.6 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | cis | -177.9 | -168.5 | -6.7 | 50.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 136 | S | 31.9 | Very low | 32.6 | Very low | 93 Ų | 93 | 111.4 Ų | 111.4 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | 45.1 | 92.8 | 146.4 | 55.5 | 0 | 0 | 0 | 0 | 118 | | |
| 137 | S | 30 | Very low | 32.8 | Very low | 102 Ų | 102 | 113.8 Ų | 113.8 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | | 86.5 | 129.1 | 74.3 | 66.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 138 | S | 30.7 | Very low | 33 | Very low | 119 Ų | 119 | 113.3 Ų | 113.3 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | 60.8 | 132 | 170.9 | 59.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 139 | S | 30.2 | Very low | 31.9 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | | -156.3 | 136.8 | 66.4 | 43.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 140 | V | 30.5 | Very low | 32.1 | Very low | 131 Ų | 131 | 115.3 Ų | 115.3 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | 19.3 | 135.7 | 151 | -77.4 | 0 | 0 | 0 | 0 | 124.8 | | |
| 141 | V | 33.1 | Very low | 32.3 | Very low | 139 Ų | 139 | 114.7 Ų | 114.7 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | 74.3 | 120.8 | 136.8 | 169.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 142 | A | 30.3 | Very low | 32.6 | Very low | 94 Ų | 94 | 117.7 Ų | 117.7 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | | -167.8 | 156.3 | 66 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 143 | G | 27.5 | Very low | 32.7 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | 81.5 | 141.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 144 | G | 28.6 | Very low | 32.9 | Very low | 76 Ų | 76 | 130.8 Ų | 130.8 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | 168.6 | -10.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 145 | A | 34.6 | Very low | 32.9 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | 63.4 | 169.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 146 | P | 46.7 | Very low | 33.2 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | -128.6 | 169.3 | -165.3 | 43.1 | -29.7 | 0 | 0 | 0 | 116.3 | | |
| 147 | E | 32.4 | Very low | 33.9 | Very low | 164 Ų | 164 | 141.8 Ų | 141.8 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | | | trans | -161.9 | 118.5 | 134.3 | -158 | 131.6 | -130.1 | 0 | 0 | 109.6 | | |
| 148 | Q | 33.2 | Very low | 34.2 | Very low | 141 Ų | 141 | 145 Ų | 145 | 66% | 0.659 | 82% | 0.82 | S | S | * | * | | | | 42.9 | 145.5 | 107.1 | -44.7 | -172.7 | 64.1 | 0 | 0 | 116.7 | | |
| 149 | Q | 31.8 | Very low | 34.7 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | | | cis | -159.6 | 141.5 | 11.9 | -141.1 | 172.9 | 70.6 | 0 | 0 | 109.4 | | |
| 150 | A | 32.8 | Very low | 34.9 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | -154.3 | 82.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 151 | L | 36 | Very low | 34.9 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 80% | 0.801 | 82% | 0.817 | S | S | * | * | | | trans | -109.7 | 112.3 | 177.9 | -81.8 | 170.1 | 0 | 0 | 0 | 113.2 | | |
| 152 | L | 36.2 | Very low | 34.8 | Very low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | | | trans | 57.3 | 130.2 | 143.5 | -53.7 | 174.7 | 0 | 0 | 0 | 120 | | |
| 153 | R | 33.6 | Very low | 34.8 | Very low | 241 Ų | 241 | 147.7 Ų | 147.7 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | | | | -174.6 | 136.5 | 110 | -92.7 | -96.7 | 174 | 170.8 | -2 | 112.6 | | |
| 154 | R | 36.1 | Very low | 35.2 | Very low | 251 Ų | 251 | 152.3 Ų | 152.3 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | | | trans | 69.1 | 125.8 | 153.6 | -146.8 | -179.5 | -156.9 | 171.7 | 4.3 | 116.2 | | |
| 155 | G | 32.3 | Very low | 35.4 | Very low | 79 Ų | 79 | 154.5 Ų | 154.5 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | | | cis | 154.2 | 109.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 156 | K | 39.2 | Very low | 35.4 | Very low | 205 Ų | 205 | 154 Ų | 154 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | | | trans | -135.5 | 146.4 | 179.8 | -146.6 | 174.5 | -176.3 | -177 | 0 | 109.1 | | |
| 157 | R | 46.1 | Very low | 34.7 | Very low | 248 Ų | 248 | 157.9 Ų | 157.9 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | | | trans | -86.2 | 148.6 | -166.7 | -76.3 | 176.3 | -87.5 | 161.6 | -5.4 | 113.2 | | |
| 158 | H | 35.5 | Very low | 34.9 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | | | trans | -98.1 | 150.2 | 176.5 | -90.1 | -138.6 | 0 | 0 | 0 | 112.8 | | |
| 159 | L | 42.7 | Very low | 35 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | | | trans | -160.5 | 117.6 | 144.2 | -89 | 168.4 | 0 | 0 | 0 | 102.3 | | |
| 160 | Q | 33.7 | Very low | 35.1 | Very low | 175 Ų | 175 | 159 Ų | 159 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | | | cis | 65.4 | 117 | 36.8 | -158.7 | 145.4 | 18.5 | 0 | 0 | 112.1 | | |
| 161 | G | 29.6 | Very low | 35 | Very low | 60 Ų | 60 | 157.3 Ų | 157.3 | 62% | 0.619 | 83% | 0.826 | S | S | * | * | | | cis | -160.2 | -154.9 | 1.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 162 | D | 31.6 | Very low | 34.7 | Very low | 179 Ų | 179 | 156.1 Ų | 156.1 | 96% | 0.957 | 83% | 0.83 | S | S | * | * | | | trans | 63.9 | 144.1 | -178.9 | -54.5 | -21.7 | 0 | 0 | 0 | 116.8 | | |
| 163 | G | 31.3 | Very low | 34.8 | Very low | 66 Ų | 66 | 160 Ų | 160 | 68% | 0.68 | 83% | 0.834 | S | S | * | * | | | cis | 178.3 | 153.4 | -8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 164 | L | 35.4 | Very low | 35.5 | Very low | 183 Ų | 183 | 152.9 Ų | 152.9 | 96% | 0.958 | 82% | 0.819 | S | S | * | * | | | trans | 59.7 | 87.6 | 169.3 | -55.2 | -179.8 | 0 | 0 | 0 | 118.2 | | |
| 165 | S | 33.3 | Very low | 35.4 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | -95.5 | 115 | 152.1 | 58 | 0 | 0 | 0 | 0 | 110.4 | | |
| 166 | S | 33.6 | Very low | 35.7 | Very low | 95 Ų | 95 | 149 Ų | 149 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | | | trans | -163 | 103.1 | 162.8 | -175.6 | 0 | 0 | 0 | 0 | 112 | | |
| 167 | F | 32.2 | Very low | 35.7 | Very low | 202 Ų | 202 | 148.4 Ų | 148.4 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | | | | -166.8 | 132.8 | 100 | -108.6 | -74.5 | 0 | 0 | 0 | 110.9 | | |
| 168 | D | 37.2 | Very low | 35.7 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | | | trans | -79.3 | 142.1 | 171.1 | -126.4 | -50.9 | 0 | 0 | 0 | 109.9 | | |
| 169 | S | 34.3 | Very low | 36.1 | Very low | 126 Ų | 126 | 144 Ų | 144 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | trans | -164.8 | 74.5 | 153 | -85.3 | 0 | 0 | 0 | 0 | 111 | G171 | S169-G171 PolarHBondContact O-N 3.36Š|
| 170 | R | 34.2 | Very low | 36 | Very low | 234 Ų | 234 | 145 Ų | 145 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -56.1 | 122.2 | 168.3 | 172.8 | -164.9 | -59.4 | -118.4 | -4.3 | 112.3 | | |
| 171 | G | 31.3 | Very low | 36.6 | Very low | 68 Ų | 68 | 143 Ų | 143 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | | | trans | 121.8 | 101.5 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | S169 | S169-G171 PolarHBondContact O-N 3.36Š|
| 172 | S | 29.1 | Very low | 37.7 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | trans | -165.1 | 145 | 135.3 | 30.1 | 0 | 0 | 0 | 0 | 111 | | |
| 173 | R | 39 | Very low | 38.5 | Very low | 233 Ų | 233 | 147.4 Ų | 147.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -171.1 | 154.4 | -179 | -161.4 | -118.9 | 179.1 | -176.5 | -1.8 | 107.5 | | |
| 174 | P | 48.4 | Very low | 39 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 60% | 0.597 | 80% | 0.802 | S | S | * | * | | | cis | -113.8 | 167 | -36.3 | 35.9 | -22.9 | 0 | 0 | 0 | 112.4 | | |
| 175 | T | 32.7 | Very low | 39.6 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | | | trans | -157.2 | 152.6 | 146.9 | 13 | 0 | 0 | 0 | 0 | 111.2 | | |
| 176 | T | 38.9 | Very low | 40.1 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | | | trans | 4.4 | 146.8 | 148.9 | 61.2 | 0 | 0 | 0 | 0 | 119 | | |
| 177 | E | 40.5 | Very low | 40.3 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | cis | -142.9 | -169.1 | 36.4 | -74.5 | 179.4 | 149.4 | 0 | 0 | 114.1 | | |
| 178 | T | 45.1 | Very low | 41.2 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -113.8 | 123 | -173.4 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 179 | E | 43.6 | Very low | 41.5 | Very low | 192 Ų | 192 | 144.1 Ų | 144.1 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | -153.4 | 108.4 | 157.8 | -108.5 | 161.6 | -161 | 0 | 0 | 107.4 | | |
| 180 | F | 40.8 | Very low | 41.8 | Very low | 188 Ų | 188 | 148 Ų | 148 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | | 70.4 | 106.9 | 83.1 | -160.2 | -89.8 | 0 | 0 | 0 | 113.5 | A182 | F180-A182 PolarHBondContact O-N 3.3Š|
| 181 | I | 45.4 | Very low | 41.9 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 68% | 0.682 | 80% | 0.796 | S | S | * | * | | | trans | -84.7 | 103.9 | -178.9 | -57.2 | 171.9 | 0 | 0 | 0 | 109.1 | W183 | I181-W183 PolarHBondContact O-N 3.09Š|
| 182 | A | 53.1 | Low | 42.3 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -74.7 | 117.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.7 | F180 | F180-A182 PolarHBondContact O-N 3.3Š|
| 183 | W | 48.7 | Very low | 42.5 | Very low | 238 Ų | 238 | 147.6 Ų | 147.6 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -101 | 122.5 | 168.8 | -71.3 | 86.5 | 0 | 0 | 0 | 109.5 | I181 | I181-W183 PolarHBondContact O-N 3.09Š|
| 184 | G | 42 | Very low | 42.3 | Very low | 63 Ų | 63 | 141.3 Ų | 141.3 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | trans | 168.6 | 134.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | T186 | G184-T186 PolarHBondContact O-N 3.08Š|
| 185 | P | 47.2 | Very low | 41.5 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | trans | -87.3 | 103.1 | 173.4 | 32.9 | -30.4 | 0 | 0 | 0 | 111 | | |
| 186 | T | 43.8 | Very low | 41.5 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | -72.2 | 140.1 | 153 | -4.4 | 0 | 0 | 0 | 0 | 107.8 | G184 | G184-T186 PolarHBondContact O-N 3.08Š|
| 187 | G | 39.5 | Very low | 41.3 | Very low | 52 Ų | 52 | 148.3 Ų | 148.3 | 54% | 0.536 | 81% | 0.809 | S | S | . | * | | | cis | 137.1 | 109.3 | 9.8 | 0 | 0 | 0 | 0 | 0 | 107 | E189 | G187-E189 PolarHBondContact O-N 2.84Š|
| 188 | D | 51.1 | Low | 41.7 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -87.7 | 93 | -165.2 | 44 | -52.4 | 0 | 0 | 0 | 112.7 | | |
| 189 | E | 41.8 | Very low | 41 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -126 | 83.5 | -175.2 | -62.9 | -71.5 | 162.5 | 0 | 0 | 111.4 | G187 A191 | G187-E189 PolarHBondContact O-N 2.84Å; E189-A191 PolarHBondContact O-N 3.21Å |
| 190 | E | 40.8 | Very low | 40.7 | Very low | 206 Ų | 206 | 138.6 Ų | 138.6 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | | | trans | -76.7 | 98.9 | 164.7 | -73.4 | -167.9 | 149.6 | 0 | 0 | 109.3 | | |
| 191 | A | 37.9 | Very low | 40.4 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -75.6 | 126.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E189 | E189-A191 PolarHBondContact O-N 3.21Š|
| 192 | L | 38.6 | Very low | 39.9 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -153.2 | 116 | 153.1 | -124.4 | 140.6 | 0 | 0 | 0 | 113.6 | | |
| 193 | E | 34.5 | Very low | 39.4 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | 37 | 97.1 | 157.2 | -60.8 | -174.9 | 114.8 | 0 | 0 | 119.5 | | |
| 194 | S | 33.4 | Very low | 38.8 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | | | trans | -78.4 | 141.9 | 151.6 | 57.1 | 0 | 0 | 0 | 0 | 111 | | |
| 195 | N | 32.9 | Very low | 38.4 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | 154.3 | 96.1 | 135.1 | -82.9 | -56.7 | 0 | 0 | 0 | 112.8 | | |
| 196 | T | 32.9 | Very low | 37.7 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | | | trans | -172.3 | 121.6 | 132.3 | -76.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 197 | F | 34 | Very low | 37 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -144.3 | 164.4 | 167.3 | -80.5 | -64.1 | 0 | 0 | 0 | 106.5 | | |
| 198 | P | 48.3 | Very low | 36.6 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | cis | -133.7 | -177.3 | 16.6 | 42.5 | -26.5 | 0 | 0 | 0 | 114.9 | | |
| 199 | G | 30.5 | Very low | 35.7 | Very low | 66 Ų | 66 | 139.7 Ų | 139.7 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | trans | 159.8 | 83.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 200 | V | 37.2 | Very low | 35.3 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | | | trans | 30.3 | 109 | 143.1 | -169.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 201 | Y | 35.3 | Very low | 34.9 | Very low | 232 Ų | 232 | 136.1 Ų | 136.1 | 91% | 0.91 | 79% | 0.792 | S | S | * | * | | | | -179.5 | 159.2 | 114.9 | -90.8 | -63.8 | 0 | 0 | 0 | 109.3 | | |
| 202 | G | 34.2 | Very low | 34.6 | Very low | 66 Ų | 66 | 143 Ų | 143 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | | | trans | -114.5 | -152.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 203 | P | 42.8 | Very low | 34.2 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | cis | -105.9 | -178.2 | -48.5 | 37.5 | -32.2 | 0 | 0 | 0 | 112.1 | | |
| 204 | T | 36.1 | Very low | 34.2 | Very low | 142 Ų | 142 | 142 Ų | 142 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | | | trans | -74.9 | 142.5 | -168.4 | 35.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 205 | T | 34.6 | Very low | 34 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -138.5 | 112.7 | 164.3 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 206 | V | 32 | Very low | 34.2 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 11.7 | 130.1 | 154.2 | -74.8 | 0 | 0 | 0 | 0 | 123.5 | | |
| 207 | S | 27.8 | Very low | 34.2 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | | -168 | 111 | 122.1 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 208 | I | 32.4 | Very low | 34.1 | Very low | 138 Ų | 138 | 135 Ų | 135 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | | | | 66.7 | 123.2 | 74.1 | -58.3 | 172.2 | 0 | 0 | 0 | 113.9 | | |
| 209 | L | 32.8 | Very low | 33.5 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | 129.5 | 137.1 | 164.9 | -74.4 | 167.1 | 0 | 0 | 0 | 111.3 | | |
| 210 | Q | 32.9 | Very low | 33.7 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | cis | -153.8 | 159.9 | -20.8 | -167.1 | 169.8 | -2.5 | 0 | 0 | 110 | | |
| 211 | T | 30.9 | Very low | 33.6 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -82.8 | 146 | -176 | 34.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 212 | R | 31.6 | Very low | 33.5 | Very low | 238 Ų | 238 | 133.6 Ų | 133.6 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | -151.9 | 129.2 | 134.4 | -159.6 | 169.3 | -175.1 | 170.3 | 1.3 | 111.7 | | |
| 213 | K | 30.8 | Very low | 33.5 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | | | trans | -127.1 | 137 | 173.1 | 176.6 | 178.7 | 178.1 | 177.3 | 0 | 108 | | |
| 214 | T | 34.2 | Very low | 32.9 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | | | trans | -116.3 | 122.3 | 179.9 | -41.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 215 | T | 30.2 | Very low | 32.6 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -101.4 | 135.7 | 174.4 | -54.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 216 | V | 36.4 | Very low | 32.5 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -107.3 | 133.2 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 217 | A | 33.3 | Very low | 32.9 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -86.2 | 150 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 218 | A | 32.5 | Very low | 33.3 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -94 | 132.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 219 | T | 34.7 | Very low | 33.1 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 76% | 0.761 | 81% | 0.81 | S | S | * | * | | | trans | -115.7 | 113.3 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 109 | T221 | T219-T221 HydrophobicContact CG2-CG2 4.37Š|
| 220 | T | 34.1 | Very low | 33 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | trans | -96.5 | 118.2 | 172.8 | 33.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 221 | T | 35.6 | Very low | 32.9 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | trans | -121.8 | 131.7 | 169.6 | 45.8 | 0 | 0 | 0 | 0 | 110 | T219 | T219-T221 HydrophobicContact CG2-CG2 4.37Š|
| 222 | T | 33 | Very low | 32.8 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 77% | 0.767 | 80% | 0.802 | S | S | * | * | | | trans | -122.4 | 178.2 | 179.5 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 223 | T | 33.8 | Very low | 32.6 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | 80.3 | 93.1 | 171.8 | 66.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 224 | T | 31.4 | Very low | 32.4 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | | | | 43.7 | 122 | 125 | 54.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 225 | A | 30.2 | Very low | 32 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -137 | 144.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 226 | T | 31.9 | Very low | 31.9 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -93.4 | 148.7 | -174.8 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 227 | P | 40 | Very low | 31.4 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -82.6 | 132.3 | 170.5 | 33.3 | -32.4 | 0 | 0 | 0 | 112 | | |
| 228 | M | 36.6 | Very low | 31 | Very low | 193 Ų | 193 | 137.3 Ų | 137.3 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | | | trans | -144 | 145.7 | 161 | -98 | -168.4 | 169.5 | 0 | 0 | 110.9 | | |
| 229 | M | 28.9 | Very low | 31.1 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -105.2 | 145.8 | 173.5 | -63.9 | 168.2 | 58.1 | 0 | 0 | 109.6 | | |
| 230 | L | 29 | Very low | 30.9 | Very low | 139 Ų | 139 | 141 Ų | 141 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | | | | 172.3 | 126 | 120.5 | -113 | 78.6 | 0 | 0 | 0 | 111.8 | | |
| 231 | Q | 30.7 | Very low | 31.1 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | | | trans | 58 | 171.6 | 147.2 | -51.3 | -172.9 | 25.7 | 0 | 0 | 117 | | |
| 232 | T | 29.7 | Very low | 30.8 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | cis | -144.6 | 160.8 | 9.2 | -36.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 233 | K | 27.1 | Very low | 30.7 | Very low | 209 Ų | 209 | 149.6 Ų | 149.6 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -59.9 | 145.5 | 177.7 | -178.8 | -178.5 | -176.3 | 178.5 | 0 | 116.1 | | |
| 234 | G | 27.6 | Very low | 30.7 | Very low | 70 Ų | 70 | 155.5 Ų | 155.5 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | trans | 141.5 | 113.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 235 | F | 25.7 | Very low | 31.2 | Very low | 191 Ų | 191 | 156.4 Ų | 156.4 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | cis | 88.4 | 109.8 | 35.3 | -145.3 | -93.1 | 0 | 0 | 0 | 114.2 | | |
| 236 | T | 27.3 | Very low | 31.8 | Very low | 102 Ų | 102 | 157.4 Ų | 157.4 | 63% | 0.626 | 81% | 0.806 | S | S | * | * | | | trans | 59.5 | 113.2 | 164.5 | 49.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 237 | E | 26.1 | Very low | 31.7 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | | 85 | 151.4 | 117.9 | -163.6 | 167.8 | -176 | 0 | 0 | 121.6 | | |
| 238 | S | 25.7 | Very low | 31.3 | Very low | 102 Ų | 102 | 152.2 Ų | 152.2 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | | | trans | 77.1 | 134.3 | 167.6 | -159.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 239 | L | 33.1 | Very low | 31.1 | Very low | 152 Ų | 152 | 150.2 Ų | 150.2 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | cis | -159.6 | 138.7 | -16.6 | -112.8 | 175.1 | 0 | 0 | 0 | 107.9 | | |
| 240 | D | 32.3 | Very low | 31.3 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -119.6 | 115.7 | 170 | -174.7 | 14.5 | 0 | 0 | 0 | 111 | | |
| 241 | P | 36.4 | Very low | 31.6 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | trans | -109.7 | 77.7 | -162.5 | 40.1 | -35.4 | 0 | 0 | 0 | 115.7 | | |
| 242 | R | 30.3 | Very low | 31.8 | Very low | 231 Ų | 231 | 143.8 Ų | 143.8 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | trans | -151.2 | 96.4 | 159 | -130.8 | 170.7 | -174.3 | -163.3 | -0.2 | 119.4 | | |
| 243 | R | 30.2 | Very low | 32.1 | Very low | 227 Ų | 227 | 146.2 Ų | 146.2 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | 39.2 | 110.6 | 144.3 | -70.6 | -177.5 | 162.5 | -141.1 | -2.2 | 118.9 | | |
| 244 | R | 35.1 | Very low | 32.8 | Very low | 248 Ų | 248 | 141.5 Ų | 141.5 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | | | | -166.6 | 161.6 | 97.5 | -95.5 | 176.6 | -143.7 | -134.5 | 9.3 | 110.5 | | |
| 245 | I | 40.6 | Very low | 33.3 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | | | trans | -153.4 | 151.7 | -165.8 | -58.3 | 176.2 | 0 | 0 | 0 | 106.7 | | |
| 246 | P | 43.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | -127.5 | -171.8 | -24.1 | 38.2 | -21.9 | 0 | 0 | 0 | 113.2 | | |
| 247 | G | 29.9 | Very low | 33.9 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | 151.2 | 116.5 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 248 | G | 31.8 | Very low | 34.8 | Very low | 71 Ų | 71 | 137.6 Ų | 137.6 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | 84.3 | 127.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 249 | V | 32.5 | Very low | 35.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | cis | 64.7 | 121.3 | 25.4 | -167.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 250 | S | 33 | Very low | 35.2 | Very low | 85 Ų | 85 | 138.5 Ų | 138.5 | 59% | 0.594 | 79% | 0.792 | S | S | * | * | | | cis | -171.2 | 148.7 | -14.7 | 172.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 251 | T | 34.4 | Very low | 35.7 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | trans | 56.1 | 147.8 | 158.4 | 43.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 252 | T | 36 | Very low | 35.7 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | cis | -166.3 | 160.3 | 34.9 | -26.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 253 | E | 35.7 | Very low | 36.4 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -74.8 | 173.6 | 153.7 | -78.6 | -168.7 | -168.8 | 0 | 0 | 110.3 | | |
| 254 | P | 41.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | cis | -148.9 | 179.4 | 23.6 | 45.7 | -25.4 | 0 | 0 | 0 | 119.1 | | |
| 255 | S | 38.5 | Very low | 37.1 | Very low | 107 Ų | 107 | 123.7 Ų | 123.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | 24 | 119.4 | 141.3 | 171.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 256 | T | 32.3 | Very low | 37.2 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | -148.3 | 145.3 | 130.1 | -16.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 257 | S | 32.7 | Very low | 37.2 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | -146.8 | 135.7 | 163.9 | -178.4 | 0 | 0 | 0 | 0 | 106 | | |
| 258 | P | 45.3 | Very low | 38.2 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | | -155.3 | 178.6 | 94.2 | 41.3 | -22.4 | 0 | 0 | 0 | 117.2 | | |
| 259 | S | 32 | Very low | 38.9 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | 68 | 119.5 | 151.2 | 69.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 260 | N | 35.9 | Very low | 39.8 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | | -149.9 | 153.1 | 103.9 | 56.2 | 10 | 0 | 0 | 0 | 110.9 | | |
| 261 | S | 41.4 | Very low | 40.5 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | | | trans | -102.5 | 114.6 | 178.8 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 262 | G | 36.9 | Very low | 41.3 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -117.7 | 97 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | V264 | G262-V264 PolarHBondContact O-N 3.42Š|
| 263 | E | 44.2 | Very low | 42 | Very low | 201 Ų | 201 | 128.3 Ų | 128.3 | 94% | 0.939 | 75% | 0.751 | S | S | * | * | | | trans | -74.1 | 109 | 170 | -175.1 | 176.3 | 175.2 | 0 | 0 | 109 | | |
| 264 | V | 39.7 | Very low | 42.8 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | | | trans | -127 | 124.2 | 173.6 | -178 | 0 | 0 | 0 | 0 | 109 | G262 | G262-V264 PolarHBondContact O-N 3.42Š|
| 265 | T | 40.3 | Very low | 43.7 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 139.8 | -171.2 | -40.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 266 | Q | 44.4 | Very low | 44.8 | Very low | 141 Ų | 141 | 118.1 Ų | 118.1 | 66% | 0.659 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 135.8 | 169.4 | -60.9 | -179 | 20.2 | 0 | 0 | 110.6 | | |
| 267 | P | 42.8 | Very low | 46.5 | Very low | 110 Ų | 110 | 117.5 Ų | 117.5 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 137.3 | 151.1 | 30.1 | -31.8 | 0 | 0 | 0 | 108.3 | R269 | P267-R269 PolarHBondContact O-N 3.35Š|
| 268 | P | 51.3 | Low | 48.5 | Very low | 120 Ų | 120 | 114.4 Ų | 114.4 | 78% | 0.779 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 126.2 | -178.2 | 25.6 | -33.7 | 0 | 0 | 0 | 110.1 | I270 | P268-I270 PolarHBondContact O-N 3.46Š|
| 269 | R | 46.2 | Very low | 50.7 | Low | 208 Ų | 208 | 113.1 Ų | 113.1 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.3 | 176.6 | -60.5 | -176.8 | -165.1 | 167.7 | 5 | 109.3 | P267 L271 | P267-R269 PolarHBondContact O-N 3.35Å; R269-L271 PolarHBondContact O-N 3.11Å |
| 270 | I | 51.4 | Low | 53.3 | Low | 121 Ų | 121 | 113.8 Ų | 113.8 | 62% | 0.621 | 66% | 0.664 | S | S | * | * | | | trans | -70.5 | 78.1 | 171.9 | -57.6 | 178.4 | 0 | 0 | 0 | 108.7 | P268 E273 | P268-I270 PolarHBondContact O-N 3.46Å; I270-E273 HydrophobicContact CG2-CB 3.82Å; I270-E273 HydrophobicContact CG2-CG 3.6Å; I270-E273 VanDerWaalsContact CG2-OE1 3.32Å; I270-E273 WeakPolarHBondContact CG2-OE1 3.27Å |
| 271 | L | 47.6 | Very low | 55.8 | Low | 138 Ų | 138 | 111.9 Ų | 111.9 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | | | trans | -87.3 | -13.8 | 179.8 | -169.9 | 58.5 | 0 | 0 | 0 | 111.9 | R269 S275 | R269-L271 PolarHBondContact O-N 3.11Å; L271-S275 PolarHBondContact O-OG 2.77Å |
| 272 | G | 50.6 | Low | 58.1 | Low | 52 Ų | 52 | 110.9 Ų | 110.9 | 54% | 0.536 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -80.1 | -39.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S275 G276 | G272-S275 CarbonylContact O-C 3.59Å; G272-S275 WeakPolarHBondContact O-CB 3.49Å; G272-S275 PolarHBondContact O-N 3.37Å; G272-G276 PolarHBondContact O-N 3.32Å |
| 273 | E | 51.4 | Low | 60.7 | Low | 129 Ų | 129 | 112 Ų | 112 | 60% | 0.603 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.3 | -45.2 | -167.5 | -70.5 | 169.3 | -155.5 | 0 | 0 | 113.4 | I270 S275 G276 L277 | I270-E273 HydrophobicContact CG2-CB 3.82Å; I270-E273 HydrophobicContact CG2-CG 3.6Å; I270-E273 VanDerWaalsContact CG2-OE1 3.32Å; I270-E273 WeakPolarHBondContact CG2-OE1 3.27Å; E273-S275 PolarHBondContact O-N 2.83Å; E273-G276 PolarHBondContact O-N 2.87Å; E273-L277 WeakPolarHBondContact O-CB 3.32Å; E273-L277 WeakPolarHBondContact O-CG 3.09Å; E273-L277 PolarHBondContact O-N 3.44Å |
| 274 | A | 53.2 | Low | 63 | Low | 74 Ų | 74 | 105.5 Ų | 105.5 | 61% | 0.612 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.6 | -36.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A278 | A274-A278 VanDerWaalsContact O-CB 3.27Å; A274-A278 WeakPolarHBondContact O-CB 3.44Å; A274-A278 PolarHBondContact O-N 2.87Å |
| 275 | S | 58.6 | Low | 65.6 | Low | 62 Ų | 62 | 103.8 Ų | 103.8 | 43% | 0.434 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.5 | -43.5 | 175.7 | -56 | 0 | 0 | 0 | 0 | 111.7 | L271 G272 E273 A278 V279 | L271-S275 PolarHBondContact O-OG 2.77Å; G272-S275 CarbonylContact O-C 3.59Å; G272-S275 WeakPolarHBondContact O-CB 3.49Å; G272-S275 PolarHBondContact O-N 3.37Å; E273-S275 PolarHBondContact O-N 2.83Å; S275-A278 PolarHBondContact O-N 3.39Å; S275-V279 VanDerWaalsContact O-CB 3.32Å; S275-V279 WeakPolarHBondContact O-CB 3.43Å; S275-V279 VanDerWaalsContact O-CG2 3.23Å; S275-V279 WeakPolarHBondContact O-CG2 3.32Å; S275-V279 PolarHBondContact O-N 3.25Å |
| 276 | G | 62 | Low | 68.2 | Low | 40 Ų | 40 | 100.5 Ų | 100.5 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.9 | -42.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G272 E273 V279 H280 | G272-G276 PolarHBondContact O-N 3.32Å; E273-G276 PolarHBondContact O-N 2.87Å; G276-V279 PolarHBondContact O-N 3.47Å; G276-H280 WeakPolarHBondContact O-CB 3.42Å; G276-H280 PolarHBondContact O-N 2.84Å |
| 277 | L | 68 | Low | 70.7 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 67% | 0.67 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.4 | -45.3 | 174.2 | -73 | 168.4 | 0 | 0 | 0 | 111.5 | E273 H280 Q281 | E273-L277 WeakPolarHBondContact O-CB 3.32Å; E273-L277 WeakPolarHBondContact O-CG 3.09Å; E273-L277 PolarHBondContact O-N 3.44Å; L277-H280 PolarHBondContact O-N 2.92Å; L277-Q281 WeakPolarHBondContact O-CB 3.39Å; L277-Q281 PolarHBondContact O-N 2.94Å |
| 278 | A | 76.3 | Confident | 73.1 | Confident | 43 Ų | 43 | 95.9 Ų | 95.9 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A274 S275 Q281 I282 | A274-A278 VanDerWaalsContact O-CB 3.27Å; A274-A278 WeakPolarHBondContact O-CB 3.44Å; A274-A278 PolarHBondContact O-N 2.87Å; S275-A278 PolarHBondContact O-N 3.39Å; A278-Q281 PolarHBondContact O-N 2.85Å; A278-I282 WeakPolarHBondContact O-CB 3.38Å; A278-I282 WeakPolarHBondContact O-CD1 3.35Å; A278-I282 VanDerWaalsContact O-CG1 3.22Å; A278-I282 WeakPolarHBondContact O-CG1 3.21Å; A278-I282 PolarHBondContact O-N 2.74Å |
| 279 | V | 89.8 | Confident | 75.2 | Confident | 80 Ų | 80 | 94.7 Ų | 94.7 | 49% | 0.485 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 176.2 | 166.1 | 0 | 0 | 0 | 0 | 111.3 | S275 G276 Q281 I282 I283 | S275-V279 VanDerWaalsContact O-CB 3.32Å; S275-V279 WeakPolarHBondContact O-CB 3.43Å; S275-V279 VanDerWaalsContact O-CG2 3.23Å; S275-V279 WeakPolarHBondContact O-CG2 3.32Å; S275-V279 PolarHBondContact O-N 3.25Å; G276-V279 PolarHBondContact O-N 3.47Å; V279-Q281 VanDerWaalsContact C-N 3.34Å; V279-Q281 PolarHBondContact O-N 3.35Å; V279-I282 PolarHBondContact O-N 3.31Å; V279-I283 HydrophobicContact CG1-CD1 3.67Å; V279-I283 HydrophobicContact CG1-CG1 4.36Å; V279-I283 WeakPolarHBondContact O-CB 3.4Å; V279-I283 VanDerWaalsContact O-CG1 3.26Å; V279-I283 WeakPolarHBondContact O-CG1 3.23Å; V279-I283 PolarHBondContact O-N 3.35Å |
| 280 | H | 86.5 | Confident | 77.6 | Confident | 123 Ų | 123 | 90.1 Ų | 90.1 | 57% | 0.569 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.4 | -39.7 | 174.6 | -173.9 | -99.2 | 0 | 0 | 0 | 111.7 | G276 L277 I283 T284 | G276-H280 WeakPolarHBondContact O-CB 3.42Å; G276-H280 PolarHBondContact O-N 2.84Å; L277-H280 PolarHBondContact O-N 2.92Å; H280-I283 PolarHBondContact O-N 3.46Å; H280-T284 WeakPolarHBondContact O-CB 3.41Å; H280-T284 WeakPolarHBondContact O-CG2 3.34Å; H280-T284 PolarHBondContact O-N 2.68Å; H280-T284 PolarHBondContact O-OG1 2.8Å |
| 281 | Q | 88.6 | Confident | 79.6 | Confident | 122 Ų | 122 | 90.4 Ų | 90.4 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 173.4 | -170.6 | 175 | 5.6 | 0 | 0 | 111.9 | L277 A278 V279 T284 I285 | L277-Q281 WeakPolarHBondContact O-CB 3.39Å; L277-Q281 PolarHBondContact O-N 2.94Å; A278-Q281 PolarHBondContact O-N 2.85Å; V279-Q281 VanDerWaalsContact C-N 3.34Å; V279-Q281 PolarHBondContact O-N 3.35Å; Q281-T284 WeakPolarHBondContact CA-OG1 3.37Å; Q281-T284 PolarHBondContact O-OG1 3.41Å; Q281-T284 VanDerWaalsContact O-OG1 3.11Å; Q281-I285 HydrophobicContact CG-CD1 3.83Å; Q281-I285 VanDerWaalsContact O-CB 3.29Å; Q281-I285 WeakPolarHBondContact O-CB 3.34Å; Q281-I285 WeakPolarHBondContact O-CD1 3.46Å; Q281-I285 WeakPolarHBondContact O-CG1 3.26Å; Q281-I285 PolarHBondContact O-N 2.78Å |
| 282 | I | 90.5 | Very high | 81.9 | Confident | 107 Ų | 107 | 87.3 Ų | 87.3 | 55% | 0.549 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 175.2 | -69.1 | 162.1 | 0 | 0 | 0 | 111.2 | A278 V279 T286 | A278-I282 WeakPolarHBondContact O-CB 3.38Å; A278-I282 WeakPolarHBondContact O-CD1 3.35Å; A278-I282 VanDerWaalsContact O-CG1 3.22Å; A278-I282 WeakPolarHBondContact O-CG1 3.21Å; A278-I282 PolarHBondContact O-N 2.74Å; V279-I282 PolarHBondContact O-N 3.31Å; I282-T286 HydrophobicContact CG2-CG2 4.46Å; I282-T286 WeakPolarHBondContact O-CB 3.46Å; I282-T286 WeakPolarHBondContact O-CG2 3.23Å; I282-T286 PolarHBondContact O-N 2.8Å; I282-T286 PolarHBondContact O-OG1 3.16Å |
| 283 | I | 91.9 | Very high | 84 | Confident | 90 Ų | 90 | 88.7 Ų | 88.7 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 177.6 | -70.3 | 166.6 | 0 | 0 | 0 | 110.6 | V279 H280 T286 V287 | V279-I283 HydrophobicContact CG1-CD1 3.67Å; V279-I283 HydrophobicContact CG1-CG1 4.36Å; V279-I283 WeakPolarHBondContact O-CB 3.4Å; V279-I283 VanDerWaalsContact O-CG1 3.26Å; V279-I283 WeakPolarHBondContact O-CG1 3.23Å; V279-I283 PolarHBondContact O-N 3.35Å; H280-I283 PolarHBondContact O-N 3.46Å; I283-T286 WeakPolarHBondContact CA-OG1 3.29Å; I283-T286 PolarHBondContact O-N 3.46Å; I283-T286 PolarHBondContact O-OG1 3.32Å; I283-T286 VanDerWaalsContact O-OG1 3.05Å; I283-V287 HydrophobicContact CG2-CG2 4.39Å; I283-V287 WeakPolarHBondContact O-CB 3.41Å; I283-V287 VanDerWaalsContact O-CG2 3.31Å; I283-V287 WeakPolarHBondContact O-CG2 3.18Å; I283-V287 PolarHBondContact O-N 2.81Å |
| 284 | T | 92.3 | Very high | 86 | Confident | 66 Ų | 66 | 84.6 Ų | 84.6 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 178.2 | 47 | 0 | 0 | 0 | 0 | 112.7 | H280 Q281 S288 | H280-T284 WeakPolarHBondContact O-CB 3.41Å; H280-T284 WeakPolarHBondContact O-CG2 3.34Å; H280-T284 PolarHBondContact O-N 2.68Å; H280-T284 PolarHBondContact O-OG1 2.8Å; Q281-T284 WeakPolarHBondContact CA-OG1 3.37Å; Q281-T284 PolarHBondContact O-OG1 3.41Å; Q281-T284 VanDerWaalsContact O-OG1 3.11Å; T284-S288 WeakPolarHBondContact O-CB 3.45Å; T284-S288 PolarHBondContact O-N 3.34Å |
| 285 | I | 93.8 | Very high | 87.8 | Confident | 96 Ų | 96 | 83.4 Ų | 83.4 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 173 | -71.9 | 169.6 | 0 | 0 | 0 | 111.1 | Q281 S288 L289 | Q281-I285 HydrophobicContact CG-CD1 3.83Å; Q281-I285 VanDerWaalsContact O-CB 3.29Å; Q281-I285 WeakPolarHBondContact O-CB 3.34Å; Q281-I285 WeakPolarHBondContact O-CD1 3.46Å; Q281-I285 WeakPolarHBondContact O-CG1 3.26Å; Q281-I285 PolarHBondContact O-N 2.78Å; I285-S288 PolarHBondContact O-N 3.29Å; I285-L289 VanDerWaalsContact O-CB 3.23Å; I285-L289 WeakPolarHBondContact O-CB 3.17Å; I285-L289 PolarHBondContact O-N 3.41Å |
| 286 | T | 95.5 | Very high | 89.4 | Confident | 61 Ų | 61 | 85.1 Ų | 85.1 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.2 | -40.5 | -178.8 | 48 | 0 | 0 | 0 | 0 | 112.7 | I282 I283 L289 I290 | I282-T286 HydrophobicContact CG2-CG2 4.46Å; I282-T286 WeakPolarHBondContact O-CB 3.46Å; I282-T286 WeakPolarHBondContact O-CG2 3.23Å; I282-T286 PolarHBondContact O-N 2.8Å; I282-T286 PolarHBondContact O-OG1 3.16Å; I283-T286 WeakPolarHBondContact CA-OG1 3.29Å; I283-T286 PolarHBondContact O-N 3.46Å; I283-T286 PolarHBondContact O-OG1 3.32Å; I283-T286 VanDerWaalsContact O-OG1 3.05Å; T286-L289 PolarHBondContact O-N 2.83Å; T286-I290 WeakPolarHBondContact O-CB 3.42Å; T286-I290 WeakPolarHBondContact O-CD1 3.25Å; T286-I290 WeakPolarHBondContact O-CG1 3.42Å; T286-I290 PolarHBondContact O-N 3.29Å |
| 287 | V | 95.8 | Very high | 90.8 | Very high | 82 Ų | 82 | 87.9 Ų | 87.9 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 172.6 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | I283 I290 M291 | I283-V287 HydrophobicContact CG2-CG2 4.39Å; I283-V287 WeakPolarHBondContact O-CB 3.41Å; I283-V287 VanDerWaalsContact O-CG2 3.31Å; I283-V287 WeakPolarHBondContact O-CG2 3.18Å; I283-V287 PolarHBondContact O-N 2.81Å; V287-I290 PolarHBondContact O-N 2.85Å; V287-M291 WeakPolarHBondContact O-CG 3.38Å; V287-M291 PolarHBondContact O-N 2.86Å |
| 288 | S | 94.6 | Very high | 91.7 | Very high | 71 Ų | 71 | 85.5 Ų | 85.5 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 174.4 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | T284 I285 I290 M291 V292 | T284-S288 WeakPolarHBondContact O-CB 3.45Å; T284-S288 PolarHBondContact O-N 3.34Å; I285-S288 PolarHBondContact O-N 3.29Å; S288-I290 PolarHBondContact O-N 3.34Å; S288-M291 PolarHBondContact O-N 3.22Å; S288-V292 WeakPolarHBondContact O-CG2 3.39Å; S288-V292 PolarHBondContact O-N 3.48Å |
| 289 | L | 95.6 | Very high | 91.9 | Very high | 96 Ų | 96 | 86.2 Ų | 86.2 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.8 | -178.4 | 62.6 | 0 | 0 | 0 | 112.1 | I285 T286 V292 I293 | I285-L289 VanDerWaalsContact O-CB 3.23Å; I285-L289 WeakPolarHBondContact O-CB 3.17Å; I285-L289 PolarHBondContact O-N 3.41Å; T286-L289 PolarHBondContact O-N 2.83Å; L289-V292 PolarHBondContact O-N 2.86Å; L289-I293 HydrophobicContact CD1-CD1 3.96Å; L289-I293 HydrophobicContact CD1-CG1 4.25Å; L289-I293 HydrophobicContact CG-CD1 3.85Å; L289-I293 HydrophobicContact CG-CG1 4.5Å; L289-I293 WeakPolarHBondContact O-CB 3.22Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.3Å; L289-I293 PolarHBondContact O-N 2.87Å |
| 290 | I | 95.5 | Very high | 91.5 | Very high | 111 Ų | 111 | 87 Ų | 87 | 57% | 0.569 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -43.3 | 174.8 | -72.1 | 161.6 | 0 | 0 | 0 | 110.5 | T286 V287 S288 I293 A294 | T286-I290 WeakPolarHBondContact O-CB 3.42Å; T286-I290 WeakPolarHBondContact O-CD1 3.25Å; T286-I290 WeakPolarHBondContact O-CG1 3.42Å; T286-I290 PolarHBondContact O-N 3.29Å; V287-I290 PolarHBondContact O-N 2.85Å; S288-I290 PolarHBondContact O-N 3.34Å; I290-I293 PolarHBondContact O-N 3.05Å; I290-A294 VanDerWaalsContact O-CB 3.25Å; I290-A294 WeakPolarHBondContact O-CB 3.31Å; I290-A294 PolarHBondContact O-N 3.41Å |
| 291 | M | 93.1 | Very high | 91.2 | Very high | 128 Ų | 128 | 85 Ų | 85 | 63% | 0.631 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 175.9 | -73.5 | -62.1 | -65.2 | 0 | 0 | 112.4 | V287 S288 A294 A295 | V287-M291 WeakPolarHBondContact O-CG 3.38Å; V287-M291 PolarHBondContact O-N 2.86Å; S288-M291 PolarHBondContact O-N 3.22Å; M291-A294 PolarHBondContact O-N 3.25Å; M291-A295 VanDerWaalsContact O-CB 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.36Å; M291-A295 PolarHBondContact O-N 2.95Å |
| 292 | V | 96.3 | Very high | 90.2 | Very high | 72 Ų | 72 | 84.2 Ų | 84.2 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.9 | -43.1 | 175 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | S288 L289 A295 L296 | S288-V292 WeakPolarHBondContact O-CG2 3.39Å; S288-V292 PolarHBondContact O-N 3.48Å; L289-V292 PolarHBondContact O-N 2.86Å; V292-A295 PolarHBondContact O-N 3.4Å; V292-L296 HydrophobicContact CG1-CD1 3.98Å; V292-L296 HydrophobicContact CG1-CG 4.4Å; V292-L296 WeakPolarHBondContact O-CB 3.43Å; V292-L296 VanDerWaalsContact O-CG 3.3Å; V292-L296 WeakPolarHBondContact O-CG 3.22Å; V292-L296 PolarHBondContact O-N 2.87Å |
| 293 | I | 95.1 | Very high | 89 | Confident | 81 Ų | 81 | 86 Ų | 86 | 42% | 0.415 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 175.7 | -70.1 | 169.3 | 0 | 0 | 0 | 110.7 | L289 I290 L296 I297 | L289-I293 HydrophobicContact CD1-CD1 3.96Å; L289-I293 HydrophobicContact CD1-CG1 4.25Å; L289-I293 HydrophobicContact CG-CD1 3.85Å; L289-I293 HydrophobicContact CG-CG1 4.5Å; L289-I293 WeakPolarHBondContact O-CB 3.22Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.3Å; L289-I293 PolarHBondContact O-N 2.87Å; I290-I293 PolarHBondContact O-N 3.05Å; I293-L296 PolarHBondContact O-N 3.28Å; I293-I297 HydrophobicContact CG2-CD1 3.66Å; I293-I297 HydrophobicContact CG2-CG1 4.28Å; I293-I297 WeakPolarHBondContact O-CB 3.27Å; I293-I297 VanDerWaalsContact O-CG1 3.31Å; I293-I297 WeakPolarHBondContact O-CG1 3.31Å; I293-I297 PolarHBondContact O-N 3.38Å |
| 294 | A | 93.1 | Very high | 87.6 | Confident | 44 Ų | 44 | 86.9 Ų | 86.9 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I290 M291 T298 | I290-A294 VanDerWaalsContact O-CB 3.25Å; I290-A294 WeakPolarHBondContact O-CB 3.31Å; I290-A294 PolarHBondContact O-N 3.41Å; M291-A294 PolarHBondContact O-N 3.25Å; A294-T298 VanDerWaalsContact O-CB 3.31Å; A294-T298 WeakPolarHBondContact O-CB 3.4Å; A294-T298 VanDerWaalsContact O-CG2 3.3Å; A294-T298 WeakPolarHBondContact O-CG2 3.25Å; A294-T298 PolarHBondContact O-N 2.97Å; A294-T298 PolarHBondContact O-OG1 3.48Å |
| 295 | A | 91.8 | Very high | 85.9 | Confident | 49 Ų | 49 | 87 Ų | 87 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M291 V292 T298 T299 | M291-A295 VanDerWaalsContact O-CB 3.29Å; M291-A295 WeakPolarHBondContact O-CB 3.36Å; M291-A295 PolarHBondContact O-N 2.95Å; V292-A295 PolarHBondContact O-N 3.4Å; A295-T298 WeakPolarHBondContact CA-OG1 3.29Å; A295-T298 PolarHBondContact O-OG1 2.84Å; A295-T299 VanDerWaalsContact O-CB 3.25Å; A295-T299 WeakPolarHBondContact O-CB 3.33Å; A295-T299 VanDerWaalsContact O-CG2 3.23Å; A295-T299 WeakPolarHBondContact O-CG2 3.5Å; A295-T299 PolarHBondContact O-N 3.44Å; A295-T299 PolarHBondContact O-OG1 2.73Å |
| 296 | L | 91.7 | Very high | 83.7 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.3 | -46.6 | 175.4 | -73.1 | 171.2 | 0 | 0 | 0 | 111.6 | V292 I293 T299 L300 | V292-L296 HydrophobicContact CG1-CD1 3.98Å; V292-L296 HydrophobicContact CG1-CG 4.4Å; V292-L296 WeakPolarHBondContact O-CB 3.43Å; V292-L296 VanDerWaalsContact O-CG 3.3Å; V292-L296 WeakPolarHBondContact O-CG 3.22Å; V292-L296 PolarHBondContact O-N 2.87Å; I293-L296 PolarHBondContact O-N 3.28Å; L296-T299 PolarHBondContact O-N 2.77Å; L296-T299 PolarHBondContact O-OG1 3.3Å; L296-L300 VanDerWaalsContact O-CB 3.22Å; L296-L300 WeakPolarHBondContact O-CB 3.11Å; L296-L300 WeakPolarHBondContact O-CG 3.15Å; L296-L300 PolarHBondContact O-N 2.81Å |
| 297 | I | 91.1 | Very high | 81.5 | Confident | 98 Ų | 98 | 87.1 Ų | 87.1 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 176.8 | -67.8 | 170.5 | 0 | 0 | 0 | 110.4 | I293 L300 V301 | I293-I297 HydrophobicContact CG2-CD1 3.66Å; I293-I297 HydrophobicContact CG2-CG1 4.28Å; I293-I297 WeakPolarHBondContact O-CB 3.27Å; I293-I297 VanDerWaalsContact O-CG1 3.31Å; I293-I297 WeakPolarHBondContact O-CG1 3.31Å; I293-I297 PolarHBondContact O-N 3.38Å; I297-L300 PolarHBondContact O-N 2.8Å; I297-V301 HydrophobicContact CG2-CG2 4.3Å; I297-V301 WeakPolarHBondContact O-CB 3.32Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.3Å; I297-V301 PolarHBondContact O-N 3.25Å |
| 298 | T | 86.1 | Confident | 79.1 | Confident | 78 Ų | 78 | 91.7 Ų | 91.7 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 177.2 | 53.4 | 0 | 0 | 0 | 0 | 112 | A294 A295 L302 | A294-T298 VanDerWaalsContact O-CB 3.31Å; A294-T298 WeakPolarHBondContact O-CB 3.4Å; A294-T298 VanDerWaalsContact O-CG2 3.3Å; A294-T298 WeakPolarHBondContact O-CG2 3.25Å; A294-T298 PolarHBondContact O-N 2.97Å; A294-T298 PolarHBondContact O-OG1 3.48Å; A295-T298 WeakPolarHBondContact CA-OG1 3.29Å; A295-T298 PolarHBondContact O-OG1 2.84Å; T298-L302 WeakPolarHBondContact O-CB 3.4Å; T298-L302 WeakPolarHBondContact O-CD1 3.23Å; T298-L302 WeakPolarHBondContact O-CG 3.09Å; T298-L302 PolarHBondContact O-N 3.22Å |
| 299 | T | 81.9 | Confident | 76.8 | Confident | 57 Ų | 57 | 91.3 Ų | 91.3 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.7 | -25 | 175.1 | 58.1 | 0 | 0 | 0 | 0 | 113.7 | A295 L296 K303 | A295-T299 VanDerWaalsContact O-CB 3.25Å; A295-T299 WeakPolarHBondContact O-CB 3.33Å; A295-T299 VanDerWaalsContact O-CG2 3.23Å; A295-T299 WeakPolarHBondContact O-CG2 3.5Å; A295-T299 PolarHBondContact O-N 3.44Å; A295-T299 PolarHBondContact O-OG1 2.73Å; L296-T299 PolarHBondContact O-N 2.77Å; L296-T299 PolarHBondContact O-OG1 3.3Å; T299-K303 WeakPolarHBondContact O-CB 3.11Å; T299-K303 WeakPolarHBondContact O-CD 3.31Å; T299-K303 WeakPolarHBondContact O-CG 3.13Å; T299-K303 PolarHBondContact O-N 2.84Å |
| 300 | L | 81.9 | Confident | 74.6 | Confident | 97 Ų | 97 | 88.8 Ų | 88.8 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.4 | -46.1 | 170.5 | -75.4 | 167.9 | 0 | 0 | 0 | 111.2 | L296 I297 L302 K303 N304 | L296-L300 VanDerWaalsContact O-CB 3.22Å; L296-L300 WeakPolarHBondContact O-CB 3.11Å; L296-L300 WeakPolarHBondContact O-CG 3.15Å; L296-L300 PolarHBondContact O-N 2.81Å; I297-L300 PolarHBondContact O-N 2.8Å; L300-L302 VanDerWaalsContact C-N 3.35Å; L300-K303 PolarHBondContact O-N 3.28Å; L300-N304 VanDerWaalsContact O-CB 3.32Å; L300-N304 WeakPolarHBondContact O-CB 3.45Å; L300-N304 VanDerWaalsContact O-CG 3.26Å; L300-N304 PolarHBondContact O-N 2.84Å; L300-N304 PolarHBondContact O-ND2 2.77Å |
| 301 | V | 79.1 | Confident | 72.5 | Confident | 82 Ų | 82 | 90.6 Ų | 90.6 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 173.1 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | I297 N304 C305 | I297-V301 HydrophobicContact CG2-CG2 4.3Å; I297-V301 WeakPolarHBondContact O-CB 3.32Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.3Å; I297-V301 PolarHBondContact O-N 3.25Å; V301-N304 PolarHBondContact O-N 2.62Å; V301-C305 WeakPolarHBondContact O-CB 3.44Å; V301-C305 PolarHBondContact O-N 3.31Å; V301-C305 PolarHBondContact O-SG 2.82Å |
| 302 | L | 68.1 | Low | 70.5 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 174.8 | -71.8 | 167.2 | 0 | 0 | 0 | 112 | T298 L300 C306 | T298-L302 WeakPolarHBondContact O-CB 3.4Å; T298-L302 WeakPolarHBondContact O-CD1 3.23Å; T298-L302 WeakPolarHBondContact O-CG 3.09Å; T298-L302 PolarHBondContact O-N 3.22Å; L300-L302 VanDerWaalsContact C-N 3.35Å; L302-C306 WeakPolarHBondContact O-CA 3.43Å; L302-C306 WeakPolarHBondContact O-CB 3.34Å; L302-C306 PolarHBondContact O-N 3.34Å; L302-C306 PolarHBondContact O-SG 3.25Å |
| 303 | K | 64.6 | Low | 68.4 | Low | 144 Ų | 144 | 95.6 Ų | 95.6 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -40 | 175.5 | -80.7 | 168.8 | 179.6 | 176.5 | 0 | 112.1 | T299 L300 C306 A307 | T299-K303 WeakPolarHBondContact O-CB 3.11Å; T299-K303 WeakPolarHBondContact O-CD 3.31Å; T299-K303 WeakPolarHBondContact O-CG 3.13Å; T299-K303 PolarHBondContact O-N 2.84Å; L300-K303 PolarHBondContact O-N 3.28Å; K303-C306 CarbonylContact O-C 3.6Å; K303-C306 PolarHBondContact O-N 2.68Å; K303-A307 WeakPolarHBondContact O-CB 3.09Å; K303-A307 PolarHBondContact O-N 3.15Å |
| 304 | N | 62.7 | Low | 66.4 | Low | 109 Ų | 109 | 101.9 Ų | 101.9 | 58% | 0.583 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.5 | -45.5 | 176.7 | -69.6 | -28 | 0 | 0 | 0 | 111.3 | L300 V301 C306 A307 Q308 | L300-N304 VanDerWaalsContact O-CB 3.32Å; L300-N304 WeakPolarHBondContact O-CB 3.45Å; L300-N304 VanDerWaalsContact O-CG 3.26Å; L300-N304 PolarHBondContact O-N 2.84Å; L300-N304 PolarHBondContact O-ND2 2.77Å; V301-N304 PolarHBondContact O-N 2.62Å; N304-C306 VanDerWaalsContact C-N 3.3Å; N304-C306 PolarHBondContact O-N 2.9Å; N304-A307 PolarHBondContact O-N 2.76Å; N304-Q308 WeakPolarHBondContact O-CB 3.27Å; N304-Q308 PolarHBondContact O-N 3.19Å |
| 305 | C | 56.5 | Low | 64.4 | Low | 70 Ų | 70 | 103 Ų | 103 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -30 | 172.7 | -71.8 | 0 | 0 | 0 | 0 | 113 | V301 S309 | V301-C305 WeakPolarHBondContact O-CB 3.44Å; V301-C305 PolarHBondContact O-N 3.31Å; V301-C305 PolarHBondContact O-SG 2.82Å; C305-S309 WeakPolarHBondContact O-CA 3.04Å; C305-S309 WeakPolarHBondContact O-CB 3.06Å; C305-S309 PolarHBondContact O-N 3.49Å |
| 306 | C | 48.5 | Very low | 62.6 | Low | 81 Ų | 81 | 105 Ų | 105 | 55% | 0.547 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -89.4 | -14.6 | 175.5 | -70 | 0 | 0 | 0 | 0 | 114 | L302 K303 N304 G310 | L302-C306 WeakPolarHBondContact O-CA 3.43Å; L302-C306 WeakPolarHBondContact O-CB 3.34Å; L302-C306 PolarHBondContact O-N 3.34Å; L302-C306 PolarHBondContact O-SG 3.25Å; K303-C306 CarbonylContact O-C 3.6Å; K303-C306 PolarHBondContact O-N 2.68Å; N304-C306 VanDerWaalsContact C-N 3.3Å; N304-C306 PolarHBondContact O-N 2.9Å; C306-G310 WeakPolarHBondContact O-CA 3.44Å; C306-G310 PolarHBondContact O-N 2.92Å |
| 307 | A | 47.8 | Very low | 60.6 | Low | 77 Ų | 77 | 107.9 Ų | 107.9 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.3 | -46.9 | 161 | 0 | 0 | 0 | 0 | 0 | 109.1 | K303 N304 G310 | K303-A307 WeakPolarHBondContact O-CB 3.09Å; K303-A307 PolarHBondContact O-N 3.15Å; N304-A307 PolarHBondContact O-N 2.76Å; A307-G310 PolarHBondContact O-N 3.34Å; A307-G310 VanDerWaalsContact O-N 3.15Å |
| 308 | Q | 47 | Very low | 58.8 | Low | 179 Ų | 179 | 108.5 Ų | 108.5 | 84% | 0.836 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.5 | -31.6 | 178 | -163.6 | 162.9 | -0.9 | 0 | 0 | 113.2 | N304 G310 | N304-Q308 WeakPolarHBondContact O-CB 3.27Å; N304-Q308 PolarHBondContact O-N 3.19Å; Q308-G310 VanDerWaalsContact C-N 3.35Å |
| 309 | S | 45.2 | Very low | 57.2 | Low | 63 Ų | 63 | 113.6 Ų | 113.6 | 44% | 0.441 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.9 | 10.9 | 170 | -165.4 | 0 | 0 | 0 | 0 | 112.8 | C305 N311 T312 | C305-S309 WeakPolarHBondContact O-CA 3.04Å; C305-S309 WeakPolarHBondContact O-CB 3.06Å; C305-S309 PolarHBondContact O-N 3.49Å; S309-N311 PolarHBondContact O-N 3.04Å; S309-T312 PolarHBondContact O-N 3.48Å; S309-T312 PolarHBondContact O-OG1 3.5Å; S309-T312 PolarHBondContact OG-OG1 3.05Å; S309-T312 VanDerWaalsContact OG-OG1 3.07Å |
| 310 | G | 50.1 | Low | 55.7 | Low | 43 Ų | 43 | 118.8 Ų | 118.8 | 44% | 0.443 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -63.8 | -25.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C306 A307 Q308 T312 | C306-G310 WeakPolarHBondContact O-CA 3.44Å; C306-G310 PolarHBondContact O-N 2.92Å; A307-G310 PolarHBondContact O-N 3.34Å; A307-G310 VanDerWaalsContact O-N 3.15Å; Q308-G310 VanDerWaalsContact C-N 3.35Å; G310-T312 PolarHBondContact O-N 3.23Å |
| 311 | N | 50.8 | Low | 54.4 | Low | 148 Ų | 148 | 117.6 Ų | 117.6 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -69 | -18.7 | 176.8 | -152.7 | 11.9 | 0 | 0 | 0 | 112.9 | S309 | S309-N311 PolarHBondContact O-N 3.04Š|
| 312 | T | 50.3 | Low | 53.1 | Low | 84 Ų | 84 | 117.3 Ų | 117.3 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -88.6 | -13.7 | -174.3 | -13.7 | 0 | 0 | 0 | 0 | 113.9 | S309 G310 R314 N315 | S309-T312 PolarHBondContact O-N 3.48Å; S309-T312 PolarHBondContact O-OG1 3.5Å; S309-T312 PolarHBondContact OG-OG1 3.05Å; S309-T312 VanDerWaalsContact OG-OG1 3.07Å; G310-T312 PolarHBondContact O-N 3.23Å; T312-R314 PolarHBondContact O-N 2.91Å; T312-N315 PolarHBondContact O-N 3.07Å; T312-N315 VanDerWaalsContact O-N 3.08Å |
| 313 | R | 52.4 | Low | 52.3 | Low | 222 Ų | 222 | 119.5 Ų | 119.5 | 84% | 0.838 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -73.6 | 6.7 | -176.1 | -150.1 | -178.1 | -178 | -89.1 | 2.4 | 114.9 | | |
| 314 | R | 53.1 | Low | 51.7 | Low | 212 Ų | 212 | 119.2 Ų | 119.2 | 80% | 0.8 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -89.7 | -21.5 | 164.9 | -74.6 | -172.2 | 172.1 | 108.8 | -3 | 113.9 | T312 S316 | T312-R314 PolarHBondContact O-N 2.91Å; R314-S316 PolarHBondContact O-N 3.48Å |
| 315 | N | 50.7 | Low | 51.1 | Low | 68 Ų | 68 | 119.4 Ų | 119.4 | 36% | 0.364 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -80 | -17.5 | -171.9 | -164.9 | -110.7 | 0 | 0 | 0 | 114.4 | T312 Q318 R319 | T312-N315 PolarHBondContact O-N 3.07Å; T312-N315 VanDerWaalsContact O-N 3.08Å; N315-Q318 PolarHBondContact O-N 3.43Å; N315-R319 PolarHBondContact O-N 3.46Å; N315-R319 PolarHBondContact OD1-NE 3.2Å |
| 316 | S | 55 | Low | 50.9 | Low | 92 Ų | 92 | 122.8 Ų | 122.8 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.7 | -45.1 | -176.5 | 177.7 | 0 | 0 | 0 | 0 | 113.3 | R314 Q318 | R314-S316 PolarHBondContact O-N 3.48Å; S316-Q318 VanDerWaalsContact C-N 3.32Å |
| 317 | H | 50.8 | Low | 51.1 | Low | 157 Ų | 157 | 122.9 Ų | 122.9 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.8 | -38.5 | 172.2 | -77 | -84.4 | 0 | 0 | 0 | 111.5 | R319 K320 T321 | H317-R319 PolarHBondContact O-N 3Å; H317-K320 PolarHBondContact O-N 3.08Å; H317-K320 VanDerWaalsContact O-N 3.08Å; H317-T321 PolarHBondContact O-N 3.44Å |
| 318 | Q | 52.5 | Low | 51.1 | Low | 111 Ų | 111 | 123.2 Ų | 123.2 | 52% | 0.519 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.2 | -28.8 | -174.5 | -158.9 | 171 | 17.8 | 0 | 0 | 113.7 | N315 S316 T321 N322 | N315-Q318 PolarHBondContact O-N 3.43Å; S316-Q318 VanDerWaalsContact C-N 3.32Å; Q318-T321 PolarHBondContact O-OG1 3.07Å; Q318-N322 PolarHBondContact O-N 3.08Å; Q318-N322 PolarHBondContact O-ND2 3.43Å |
| 319 | R | 52.9 | Low | 51.2 | Low | 185 Ų | 185 | 120.2 Ų | 120.2 | 70% | 0.698 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.2 | -33.2 | 169.1 | -78.3 | -171.2 | 174.8 | -135.8 | -5.6 | 112.8 | N315 H317 Q323 | N315-R319 PolarHBondContact O-N 3.46Å; N315-R319 PolarHBondContact OD1-NE 3.2Å; H317-R319 PolarHBondContact O-N 3Å; R319-Q323 PolarHBondContact O-N 2.82Å |
| 320 | K | 49.4 | Very low | 51.2 | Low | 166 Ų | 166 | 123.2 Ų | 123.2 | 72% | 0.722 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.2 | -26.2 | 178.5 | -143.1 | 179.1 | -175.3 | -172.9 | 0 | 112.7 | H317 | H317-K320 PolarHBondContact O-N 3.08Å; H317-K320 VanDerWaalsContact O-N 3.08Å |
| 321 | T | 55.3 | Low | 51.2 | Low | 73 Ų | 73 | 128.2 Ų | 128.2 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.6 | -49.5 | 170 | 60.4 | 0 | 0 | 0 | 0 | 112 | H317 Q318 Q323 Q324 E325 | H317-T321 PolarHBondContact O-N 3.44Å; Q318-T321 PolarHBondContact O-OG1 3.07Å; T321-Q323 VanDerWaalsContact C-N 3.31Å; T321-Q323 PolarHBondContact O-N 3.03Å; T321-Q324 PolarHBondContact O-N 3.35Å; T321-E325 WeakPolarHBondContact O-CB 3.44Å; T321-E325 PolarHBondContact O-N 2.88Å |
| 322 | N | 51.7 | Low | 51 | Low | 75 Ų | 75 | 125.3 Ų | 125.3 | 40% | 0.401 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -57.3 | -43.2 | -178.6 | -82.4 | -104.3 | 0 | 0 | 0 | 112 | Q318 Q324 E325 E326 | Q318-N322 PolarHBondContact O-N 3.08Å; Q318-N322 PolarHBondContact O-ND2 3.43Å; N322-Q324 PolarHBondContact O-N 3.42Å; N322-E325 PolarHBondContact O-N 2.89Å; N322-E326 WeakPolarHBondContact O-CB 3Å; N322-E326 WeakPolarHBondContact O-CG 3.41Å; N322-E326 PolarHBondContact O-N 3.17Å |
| 323 | Q | 51.8 | Low | 50.7 | Low | 150 Ų | 150 | 127.7 Ų | 127.7 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.1 | -17.9 | 179.2 | -167.6 | 166.5 | 44.5 | 0 | 0 | 113.9 | R319 T321 | R319-Q323 PolarHBondContact O-N 2.82Å; T321-Q323 VanDerWaalsContact C-N 3.31Å; T321-Q323 PolarHBondContact O-N 3.03Å |
| 324 | Q | 50.7 | Low | 50.2 | Low | 138 Ų | 138 | 126.5 Ų | 126.5 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -91.7 | -33.6 | 173 | -169.1 | 167.3 | -3.9 | 0 | 0 | 111.6 | T321 N322 S327 C328 | T321-Q324 PolarHBondContact O-N 3.35Å; N322-Q324 PolarHBondContact O-N 3.42Å; Q324-S327 PolarHBondContact O-N 3.29Å; Q324-C328 PolarHBondContact O-N 3.3Å |
| 325 | E | 50.8 | Low | 50 | Low | 114 Ų | 114 | 122.6 Ų | 122.6 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66 | -45.2 | 175.5 | -159.9 | 164.9 | 176.3 | 0 | 0 | 111.2 | T321 N322 S327 C328 Q329 | T321-E325 WeakPolarHBondContact O-CB 3.44Å; T321-E325 PolarHBondContact O-N 2.88Å; N322-E325 PolarHBondContact O-N 2.89Å; E325-S327 PolarHBondContact O-N 3.21Å; E325-C328 PolarHBondContact O-N 2.98Å; E325-C328 VanDerWaalsContact O-N 3.08Å; E325-Q329 PolarHBondContact O-N 3.23Å |
| 326 | E | 51.8 | Low | 49.3 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 65% | 0.654 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -58.2 | -28 | 172.5 | -73.7 | 172.6 | -163.2 | 0 | 0 | 113.3 | N322 | N322-E326 WeakPolarHBondContact O-CB 3Å; N322-E326 WeakPolarHBondContact O-CG 3.41Å; N322-E326 PolarHBondContact O-N 3.17Å |
| 327 | S | 53.1 | Low | 48.5 | Very low | 83 Ų | 83 | 124.9 Ų | 124.9 | 58% | 0.58 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83 | -21.7 | 177.5 | -169.7 | 0 | 0 | 0 | 0 | 113.8 | Q324 E325 | Q324-S327 PolarHBondContact O-N 3.29Å; E325-S327 PolarHBondContact O-N 3.21Å |
| 328 | C | 47.8 | Very low | 48.3 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 57% | 0.568 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -98.3 | -25.4 | -178.7 | -71.7 | 0 | 0 | 0 | 0 | 112.9 | Q324 E325 N330 L331 | Q324-C328 PolarHBondContact O-N 3.3Å; E325-C328 PolarHBondContact O-N 2.98Å; E325-C328 VanDerWaalsContact O-N 3.08Å; C328-N330 PolarHBondContact O-N 3.02Å; C328-L331 PolarHBondContact O-N 3.04Å |
| 329 | Q | 48.7 | Very low | 47.4 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 54% | 0.542 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -63.5 | -30.7 | 178.5 | -144.6 | 65 | 62.8 | 0 | 0 | 112.8 | E325 L331 T332 | E325-Q329 PolarHBondContact O-N 3.23Å; Q329-L331 PolarHBondContact O-N 3.08Å; Q329-L331 VanDerWaalsContact O-N 3.11Å; Q329-T332 PolarHBondContact NE2-OG1 3.28Å; Q329-T332 VanDerWaalsContact NE2-OG1 3.12Å; Q329-T332 PolarHBondContact O-N 3.19Å; Q329-T332 VanDerWaalsContact O-N 3.09Å; Q329-T332 PolarHBondContact O-OG1 3.31Å |
| 330 | N | 46.2 | Very low | 47.2 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 5.1 | -176 | -149.5 | -9.1 | 0 | 0 | 0 | 114.7 | C328 | C328-N330 PolarHBondContact O-N 3.02Š|
| 331 | L | 50.1 | Low | 46.7 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 5.1 | 169.2 | -78.4 | 87.9 | 0 | 0 | 0 | 113.1 | C328 Q329 | C328-L331 PolarHBondContact O-N 3.04Å; Q329-L331 PolarHBondContact O-N 3.08Å; Q329-L331 VanDerWaalsContact O-N 3.11Å |
| 332 | T | 46.7 | Very low | 46.5 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 53% | 0.534 | 69% | 0.685 | S | S | . | * | | | trans | -104.2 | 9.2 | -178.9 | 56.3 | 0 | 0 | 0 | 0 | 114.9 | Q329 F334 | Q329-T332 PolarHBondContact NE2-OG1 3.28Å; Q329-T332 VanDerWaalsContact NE2-OG1 3.12Å; Q329-T332 PolarHBondContact O-N 3.19Å; Q329-T332 VanDerWaalsContact O-N 3.09Å; Q329-T332 PolarHBondContact O-OG1 3.31Å; T332-F334 PolarHBondContact O-N 2.91Å |
| 333 | D | 42.9 | Very low | 46.2 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | | | trans | -72.8 | -2.3 | -179.1 | -92.9 | 1.5 | 0 | 0 | 0 | 114.9 | T335 | D333-T335 VanDerWaalsContact C-N 3.25Å; D333-T335 PolarHBondContact O-N 2.94Å |
| 334 | F | 41.4 | Very low | 45.6 | Very low | 196 Ų | 196 | 126.9 Ų | 126.9 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -82.5 | 70.3 | 169.1 | -73.5 | -69.4 | 0 | 0 | 0 | 112.5 | T332 | T332-F334 PolarHBondContact O-N 2.91Š|
| 335 | T | 48.8 | Very low | 45.6 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 80% | 0.798 | 71% | 0.709 | S | S | * | * | | | trans | 35.6 | 105.2 | 147.7 | 60.9 | 0 | 0 | 0 | 0 | 118.1 | D333 | D333-T335 VanDerWaalsContact C-N 3.25Å; D333-T335 PolarHBondContact O-N 2.94Å |
| 336 | S | 37.5 | Very low | 45.3 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 88% | 0.881 | 72% | 0.722 | S | S | * | * | | | trans | -115.3 | 135.6 | 144.9 | -167.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 337 | A | 38.2 | Very low | 45.1 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | | | trans | -77.2 | 158.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V339 | A337-V339 PolarHBondContact O-N 2.8Å; A337-V339 VanDerWaalsContact O-N 3.12Å |
| 338 | R | 45.9 | Very low | 44.7 | Very low | 248 Ų | 248 | 130.5 Ų | 130.5 | 94% | 0.936 | 73% | 0.733 | S | S | * | * | | | trans | -61.6 | 114.3 | 171.3 | -67.9 | -176.3 | -179.9 | 93.6 | 0.5 | 110.2 | | |
| 339 | V | 34.6 | Very low | 44.4 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | | | trans | -123.6 | 111.9 | 165.9 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | A337 | A337-V339 PolarHBondContact O-N 2.8Å; A337-V339 VanDerWaalsContact O-N 3.12Å |
| 340 | P | 48.8 | Very low | 44.4 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | | | trans | -92.5 | 110.7 | 178.6 | 33.1 | -30 | 0 | 0 | 0 | 111.7 | | |
| 341 | S | 38.5 | Very low | 44.6 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 51% | 0.51 | 76% | 0.761 | S | S | . | * | | | trans | -158.3 | 136.9 | 169.3 | 53 | 0 | 0 | 0 | 0 | 108.7 | | |
| 342 | S | 49.6 | Very low | 44.4 | Very low | 122 Ų | 122 | 139 Ų | 139 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | cis | 63.8 | 31.3 | 16.5 | 97.1 | 0 | 0 | 0 | 0 | 116 | | |
| 343 | L | 47.2 | Very low | 44.6 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -135.2 | 153.2 | 161.7 | -77.2 | 175.2 | 0 | 0 | 0 | 109.4 | | |
| 344 | D | 39 | Very low | 44.6 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | | | trans | -73.9 | 150.7 | -162.1 | -80.3 | -69.4 | 0 | 0 | 0 | 116.3 | F346 | D344-F346 PolarHBondContact O-N 3.12Š|
| 345 | I | 50.8 | Low | 44.1 | Very low | 158 Ų | 158 | 141 Ų | 141 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 46.2 | 178.6 | -41.5 | 177.4 | 0 | 0 | 0 | 111 | | |
| 346 | F | 44.6 | Very low | 43.6 | Very low | 185 Ų | 185 | 140.1 Ų | 140.1 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.6 | -13.8 | -179.8 | -78.4 | -69.3 | 0 | 0 | 0 | 115.8 | D344 | D344-F346 PolarHBondContact O-N 3.12Š|
| 347 | T | 46.2 | Very low | 44.1 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -92.5 | -8.9 | 176.2 | 43.4 | 0 | 0 | 0 | 0 | 114.5 | Y349 | T347-Y349 PolarHBondContact O-N 3.43Š|
| 348 | A | 44.9 | Very low | 44.6 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 7.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 349 | Y | 41.8 | Very low | 44.1 | Very low | 222 Ų | 222 | 142.1 Ų | 142.1 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 13.6 | -167.7 | -125.1 | -79.3 | 0 | 0 | 0 | 115.4 | T347 | T347-Y349 PolarHBondContact O-N 3.43Š|
| 350 | N | 49.6 | Very low | 44.3 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -138 | 5.4 | -169.7 | -157.7 | 49.6 | 0 | 0 | 0 | 117.2 | | |
| 351 | E | 49.3 | Very low | 43.8 | Very low | 172 Ų | 172 | 147 Ų | 147 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -122.8 | 11.8 | -169.3 | -72.5 | -73.5 | 142.6 | 0 | 0 | 115 | | |
| 352 | T | 46.7 | Very low | 43.7 | Very low | 130 Ų | 130 | 148.1 Ų | 148.1 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | | | trans | -134.1 | 17.4 | -179.7 | 51.8 | 0 | 0 | 0 | 0 | 115.5 | Q354 | T352-Q354 PolarHBondContact O-N 3.11Š|
| 353 | L | 49.7 | Very low | 43.1 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | trans | -77.5 | 41.1 | 171.4 | -78.4 | 174 | 0 | 0 | 0 | 113.5 | | |
| 354 | Q | 42.5 | Very low | 42.8 | Very low | 183 Ų | 183 | 146.9 Ų | 146.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -156.8 | 83.9 | 174.2 | -100.5 | 132 | 47 | 0 | 0 | 112.1 | T352 | T352-Q354 PolarHBondContact O-N 3.11Š|
| 355 | C | 31.9 | Very low | 42.9 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -162.3 | 142.9 | 136.1 | -121.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 356 | S | 37.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | 25.3 | 115.8 | 162.1 | 55.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 357 | H | 48.6 | Very low | 41.6 | Very low | 183 Ų | 183 | 146 Ų | 146 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -40.6 | 169.1 | 153.2 | -124.9 | -124.4 | 0 | 0 | 0 | 114.9 | | |
| 358 | E | 49.4 | Very low | 41.1 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | | | trans | 80.6 | 69.4 | 170.9 | -54.2 | -168.6 | 145.2 | 0 | 0 | 118 | | |
| 359 | C | 35.7 | Very low | 40.7 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | | | trans | -144.3 | 118.7 | 135 | -144.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 360 | V | 37.8 | Very low | 40.6 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | | | trans | -115 | 109 | -163.1 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 361 | R | 39.2 | Very low | 40 | Very low | 236 Ų | 236 | 142.6 Ų | 142.6 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | 64.4 | 161.9 | 160.7 | -66.4 | 178 | 175.8 | 112.6 | -0.4 | 115 | | |
| 362 | A | 35.4 | Very low | 39.4 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | cis | -128.5 | 148.1 | 10.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 363 | S | 38.3 | Very low | 38.7 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -83 | 142.1 | 172.6 | 50 | 0 | 0 | 0 | 0 | 111.8 | P365 | S363-P365 WeakPolarHBondContact O-CD 3.37Š|
| 364 | V | 40.3 | Very low | 37.9 | Very low | 132 Ų | 132 | 140 Ų | 140 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | trans | -77.6 | 123.7 | 166.6 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 365 | P | 41.1 | Very low | 37.3 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | -91 | 108.4 | 166.3 | 33 | -26.5 | 0 | 0 | 0 | 109.9 | S363 Y367 | S363-P365 WeakPolarHBondContact O-CD 3.37Å; P365-Y367 PolarHBondContact O-N 3.29Å |
| 366 | V | 35.1 | Very low | 37.4 | Very low | 122 Ų | 122 | 139 Ų | 139 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 122.8 | 159.9 | 175.3 | 0 | 0 | 0 | 0 | 107 | T368 | V366-T368 PolarHBondContact O-N 3.12Š|
| 367 | Y | 31.6 | Very low | 37.2 | Very low | 224 Ų | 224 | 137.1 Ų | 137.1 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 122.9 | 168.8 | -109 | -91.2 | 0 | 0 | 0 | 109 | P365 | P365-Y367 PolarHBondContact O-N 3.29Š|
| 368 | T | 37.5 | Very low | 36.5 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 56% | 0.564 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 148.7 | 169.6 | 52.3 | 0 | 0 | 0 | 0 | 110.7 | V366 E370 | V366-T368 PolarHBondContact O-N 3.12Å; T368-E370 WeakPolarHBondContact CB-OE1 3.46Å; T368-E370 PolarHBondContact OG1-OE1 3.01Å |
| 369 | D | 36.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | -96 | 91.5 | 175.1 | -173.5 | -18.3 | 0 | 0 | 0 | 108.4 | T371 | D369-T371 PolarHBondContact O-N 3.18Å; D369-T371 PolarHBondContact OD1-OG1 3.09Å |
| 370 | E | 38.6 | Very low | 35.5 | Very low | 156 Ų | 156 | 142.7 Ų | 142.7 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | | | trans | -91 | 66.4 | -176.8 | -54.9 | -64.4 | 161.8 | 0 | 0 | 110.6 | T368 | T368-E370 WeakPolarHBondContact CB-OE1 3.46Å; T368-E370 PolarHBondContact OG1-OE1 3.01Å |
| 371 | T | 36.6 | Very low | 35.4 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 64% | 0.638 | 78% | 0.779 | S | S | * | * | | | trans | -79.8 | 124.9 | -179.3 | 6.7 | 0 | 0 | 0 | 0 | 112.4 | D369 | D369-T371 PolarHBondContact O-N 3.18Å; D369-T371 PolarHBondContact OD1-OG1 3.09Å |
| 372 | L | 37.7 | Very low | 35.3 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | 73.9 | 125.3 | 178 | -42.3 | 173.4 | 0 | 0 | 0 | 113.6 | | |
| 373 | H | 32.4 | Very low | 35.2 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | | -163.4 | 154.5 | 59.8 | -103.6 | -87.3 | 0 | 0 | 0 | 114.9 | | |
| 374 | S | 31.8 | Very low | 35 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | 64.3 | 87.2 | 144.9 | -55.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 375 | T | 31.6 | Very low | 34.7 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | | 42 | 115.7 | 118.4 | 58.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 376 | T | 33.7 | Very low | 34.3 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 95% | 0.951 | 78% | 0.776 | S | S | * | * | | | | -176.9 | 145.4 | 129.6 | -75.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 377 | G | 32 | Very low | 34.4 | Very low | 72 Ų | 72 | 148.8 Ų | 148.8 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 119.6 | 100.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 378 | E | 34.4 | Very low | 35.1 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | -79.2 | 133.7 | 174.6 | -53.2 | 166.8 | 116.3 | 0 | 0 | 110.8 | | |
| 379 | Y | 31.6 | Very low | 34.8 | Very low | 247 Ų | 247 | 144.6 Ų | 144.6 | 97% | 0.969 | 79% | 0.787 | S | S | * | * | | | trans | -145.6 | 150.4 | 147.1 | -98.1 | -71.1 | 0 | 0 | 0 | 111.5 | | |
| 380 | K | 33.2 | Very low | 34.8 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -113.1 | 120.7 | -153.9 | 175.7 | -175.3 | 178.2 | -177.5 | 0 | 111.3 | | |
| 381 | S | 35.7 | Very low | 34.8 | Very low | 123 Ų | 123 | 141 Ų | 141 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -134.7 | 104.8 | 166.3 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 382 | T | 37.1 | Very low | 34.6 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | -96.8 | 110 | 178 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 383 | F | 33.5 | Very low | 34.7 | Very low | 199 Ų | 199 | 145 Ų | 145 | 87% | 0.873 | 79% | 0.791 | S | S | * | * | | | trans | -132.3 | 120.9 | 155.5 | -164.6 | -107 | 0 | 0 | 0 | 109.5 | | |
| 384 | N | 34 | Very low | 34.8 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -115.2 | 126.3 | -170.4 | -173 | 3.7 | 0 | 0 | 0 | 108.6 | | |
| 385 | G | 33.6 | Very low | 35 | Very low | 63 Ų | 63 | 147.7 Ų | 147.7 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | | | trans | -160.8 | 45.1 | -159.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R387 | G385-R387 PolarHBondContact O-N 2.5Š|
| 386 | N | 32 | Very low | 35.2 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -65.6 | 116.6 | 175.2 | -72.1 | -8.3 | 0 | 0 | 0 | 112.1 | | |
| 387 | R | 36.7 | Very low | 35.7 | Very low | 232 Ų | 232 | 146.7 Ų | 146.7 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | | | trans | -153 | 122.8 | 158.4 | -156.3 | 175.4 | -165.8 | 176.6 | 5 | 112.9 | G385 | G385-R387 PolarHBondContact O-N 2.5Š|
| 388 | P | 48.2 | Very low | 36 | Very low | 119 Ų | 119 | 149 Ų | 149 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -90.9 | 133.1 | 173.6 | 33.7 | -31.8 | 0 | 0 | 0 | 112.1 | | |
| 389 | S | 30.7 | Very low | 36.4 | Very low | 110 Ų | 110 | 144.3 Ų | 144.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -162.7 | 124.1 | 157.5 | -74 | 0 | 0 | 0 | 0 | 106.3 | | |
| 390 | S | 35.6 | Very low | 36.7 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | | 82.3 | 133.4 | 52.4 | -169.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 391 | S | 38.3 | Very low | 36.9 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | 58 | 108.1 | 171.9 | 54.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 392 | D | 32.6 | Very low | 37 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | | 71.6 | 108.7 | 119.3 | -168.7 | 43.1 | 0 | 0 | 0 | 120 | | |
| 393 | R | 39.9 | Very low | 37.4 | Very low | 215 Ų | 215 | 142.5 Ų | 142.5 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | | -170 | 148.3 | 105.8 | -97.8 | 164.3 | -169.9 | -159.7 | -0 | 114.6 | | |
| 394 | H | 35.6 | Very low | 37.8 | Very low | 152 Ų | 152 | 141 Ų | 141 | 70% | 0.704 | 77% | 0.77 | S | S | * | * | | | trans | -26.6 | 145.6 | 172.9 | -43.9 | -76.6 | 0 | 0 | 0 | 116.6 | | |
| 395 | L | 34.4 | Very low | 38.1 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | | | | -163.2 | 149.6 | 75.2 | -90.1 | 164.2 | 0 | 0 | 0 | 113.7 | | |
| 396 | I | 37.2 | Very low | 38.2 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | | | trans | -118 | 138.8 | 161.7 | -63.2 | 169.4 | 0 | 0 | 0 | 106.9 | V398 | I396-V398 HydrophobicContact CG2-CG2 4.26Š|
| 397 | P | 43.9 | Very low | 38.5 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -124.6 | 129.9 | 137.5 | 34.2 | -27.2 | 0 | 0 | 0 | 111.7 | | |
| 398 | V | 37.6 | Very low | 38.7 | Very low | 120 Ų | 120 | 147 Ų | 147 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -76.5 | 132.7 | 162.6 | 173.3 | 0 | 0 | 0 | 0 | 107.8 | I396 F400 | I396-V398 HydrophobicContact CG2-CG2 4.26Å; V398-F400 HydrophobicContact CG1-CD2 4.12Å; V398-F400 HydrophobicContact CG1-CE2 4.25Å |
| 399 | A | 42.1 | Very low | 38 | Very low | 85 Ų | 85 | 146.6 Ų | 146.6 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | -138.2 | 108.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 400 | F | 37.8 | Very low | 38.3 | Very low | 203 Ų | 203 | 151.4 Ų | 151.4 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | | | trans | -68.9 | 129.4 | 160.7 | -78.2 | -109.8 | 0 | 0 | 0 | 108 | V398 | V398-F400 HydrophobicContact CG1-CD2 4.12Å; V398-F400 HydrophobicContact CG1-CE2 4.25Å |
| 401 | V | 38.2 | Very low | 38.4 | Very low | 137 Ų | 137 | 153.7 Ų | 153.7 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -127.2 | 135.2 | 159.9 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 402 | S | 38 | Very low | 38.4 | Very low | 94 Ų | 94 | 156.1 Ų | 156.1 | 66% | 0.657 | 81% | 0.811 | S | S | * | * | | | trans | -76.7 | 149.8 | -160.6 | 54.9 | 0 | 0 | 0 | 0 | 115.3 | K404 | S402-K404 VanDerWaalsContact C-N 3.33Å; S402-K404 PolarHBondContact O-N 2.71Å |
| 403 | E | 45.3 | Very low | 38.7 | Very low | 202 Ų | 202 | 158.3 Ų | 158.3 | 94% | 0.944 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -61.3 | 88.4 | 156.2 | -62.9 | 178.7 | 140.1 | 0 | 0 | 110.9 | | |
| 404 | K | 41.6 | Very low | 38.7 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 73% | 0.73 | 82% | 0.821 | S | S | * | * | | | trans | -160.8 | 165.2 | 159.1 | -127.6 | 176.8 | -177.6 | -178.3 | 0 | 110.9 | S402 | S402-K404 VanDerWaalsContact C-N 3.33Å; S402-K404 PolarHBondContact O-N 2.71Å |
| 405 | W | 41.7 | Very low | 38.9 | Very low | 210 Ų | 210 | 155.1 Ų | 155.1 | 80% | 0.795 | 83% | 0.829 | S | S | * | * | | | trans | 70.2 | 93.2 | -177.3 | -45.2 | 105.8 | 0 | 0 | 0 | 114.6 | | |
| 406 | F | 34.6 | Very low | 39.2 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 83% | 0.829 | 83% | 0.827 | S | S | * | * | | | | -160 | 79 | 117.9 | -107.6 | -71 | 0 | 0 | 0 | 109.8 | I408 | F406-I408 HydrophobicContact CD1-CD1 3.97Å; F406-I408 HydrophobicContact CD1-CG1 4Å; F406-I408 HydrophobicContact CE1-CD1 3.68Å; F406-I408 HydrophobicContact CE1-CG1 4.22Å; F406-I408 PolarHBondContact O-N 3.19Å |
| 407 | E | 39.3 | Very low | 39.3 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | | | trans | -80.6 | 99.6 | 155 | -74.9 | -177.7 | 124.6 | 0 | 0 | 107.8 | | |
| 408 | I | 40.7 | Very low | 39 | Very low | 137 Ų | 137 | 158.1 Ų | 158.1 | 70% | 0.703 | 84% | 0.838 | S | S | * | * | | | trans | -136.1 | 132.6 | 158.5 | -65.7 | -172.9 | 0 | 0 | 0 | 108.2 | F406 | F406-I408 HydrophobicContact CD1-CD1 3.97Å; F406-I408 HydrophobicContact CD1-CG1 4Å; F406-I408 HydrophobicContact CE1-CD1 3.68Å; F406-I408 HydrophobicContact CE1-CG1 4.22Å; F406-I408 PolarHBondContact O-N 3.19Å |
| 409 | S | 34 | Very low | 39.1 | Very low | 111 Ų | 111 | 161.3 Ų | 161.3 | 78% | 0.776 | 85% | 0.847 | S | S | * | * | | | trans | -78.1 | 140.1 | -174.6 | -42.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 410 | C | 35.6 | Very low | 38.8 | Very low | 211 Ų | 211 | 168.2 Ų | 168.2 | 100% | 1.426 | 86% | 0.86 | S | S | * | * | | | trans | -153.9 | 0 | 147.4 | -94.7 | 0 | 0 | 0 | 0 | 109.2 | | |