| 1 | M | 40.2 | Very low | 43.5 | Very low | 244 Ų | 244 | 167.9 Ų | 167.9 | 100% | 1.202 | 86% | 0.857 | S | S | * | * | | | | 0 | 90.8 | 0 | -158.3 | 172.1 | -82.2 | 0 | 0 | 105.2 | | |
| 2 | E | 42.6 | Very low | 44 | Very low | 190 Ų | 190 | 160.8 Ų | 160.8 | 89% | 0.888 | 84% | 0.842 | S | S | * | * | | | trans | -77 | 137.6 | -176.8 | -63.9 | 176 | 155.3 | 0 | 0 | 108.8 | | |
| 3 | A | 42.6 | Very low | 44.4 | Very low | 92 Ų | 92 | 159.2 Ų | 159.2 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | | | trans | -141.8 | 84.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | V5 | A3-V5 PolarHBondContact O-N 2.99Š|
| 4 | E | 47.3 | Very low | 45.2 | Very low | 179 Ų | 179 | 156.2 Ų | 156.2 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | | | trans | -59.5 | 115.9 | 160.8 | -69.7 | -178.1 | 141 | 0 | 0 | 108.8 | | |
| 5 | V | 46.3 | Very low | 45.6 | Very low | 138 Ų | 138 | 150.9 Ų | 150.9 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -92.5 | 102 | 165.4 | 176.4 | 0 | 0 | 0 | 0 | 107.6 | A3 N7 | A3-V5 PolarHBondContact O-N 2.99Å; V5-N7 PolarHBondContact O-N 3.07Å |
| 6 | L | 43.3 | Very low | 46.2 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | trans | -33.4 | 124.8 | 160.9 | -110.5 | 72.5 | 0 | 0 | 0 | 112.2 | | |
| 7 | N | 36.4 | Very low | 46.8 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -103.1 | 118.1 | 161.9 | -157.9 | -11.5 | 0 | 0 | 0 | 107.8 | V5 Q9 | V5-N7 PolarHBondContact O-N 3.07Å; N7-Q9 PolarHBondContact O-N 3.05Å |
| 8 | P | 44.3 | Very low | 47.6 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | trans | -75.7 | 113.9 | -179.5 | 28.1 | -29.8 | 0 | 0 | 0 | 110.4 | R10 | P8-R10 PolarHBondContact O-N 2.81Š|
| 9 | Q | 42.3 | Very low | 48.7 | Very low | 173 Ų | 173 | 141 Ų | 141 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | trans | -44.2 | 104.8 | 165.5 | -172.6 | 84.3 | -15.1 | 0 | 0 | 110.9 | N7 M11 | N7-Q9 PolarHBondContact O-N 3.05Å; Q9-M11 HydrophobicContact CG-CG 4.39Å; Q9-M11 PolarHBondContact O-N 2.9Å; Q9-M11 VanDerWaalsContact O-N 3.1Å |
| 10 | R | 46.1 | Very low | 49.7 | Very low | 241 Ų | 241 | 138.9 Ų | 138.9 | 91% | 0.909 | 74% | 0.742 | S | S | * | * | | | trans | -73.3 | 96.3 | 165.7 | -79.4 | -161.5 | -70 | 173.9 | -4 | 108.9 | P8 A12 | P8-R10 PolarHBondContact O-N 2.81Å; R10-A12 PolarHBondContact O-N 3.23Å; R10-A12 VanDerWaalsContact O-N 3.09Å |
| 11 | M | 47.5 | Very low | 50.8 | Low | 177 Ų | 177 | 134.8 Ų | 134.8 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | | | trans | -68 | 98 | 161.1 | -71 | -126.9 | -90.9 | 0 | 0 | 108.4 | Q9 | Q9-M11 HydrophobicContact CG-CG 4.39Å; Q9-M11 PolarHBondContact O-N 2.9Å; Q9-M11 VanDerWaalsContact O-N 3.1Å |
| 12 | A | 49.1 | Very low | 52.8 | Low | 82 Ų | 82 | 128 Ų | 128 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | | | trans | -83.1 | 129.3 | 168 | 0 | 0 | 0 | 0 | 0 | 109.1 | R10 V14 | R10-A12 PolarHBondContact O-N 3.23Å; R10-A12 VanDerWaalsContact O-N 3.09Å; A12-V14 PolarHBondContact O-N 3.14Å |
| 13 | D | 48.8 | Very low | 54.9 | Low | 140 Ų | 140 | 121.2 Ų | 121.2 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | | | trans | -49.5 | 101.6 | 176.5 | -78 | -50.4 | 0 | 0 | 0 | 112.9 | S15 | D13-S15 PolarHBondContact O-N 3.01Š|
| 14 | V | 55.5 | Low | 57.1 | Low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -69.8 | -7.7 | 169.3 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | A12 N18 | A12-V14 PolarHBondContact O-N 3.14Å; V14-N18 PolarHBondContact O-ND2 2.67Å |
| 15 | S | 51.2 | Low | 59.2 | Low | 76 Ų | 76 | 118.3 Ų | 118.3 | 53% | 0.531 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -85.3 | -20.3 | -175.9 | -172.4 | 0 | 0 | 0 | 0 | 115.1 | D13 | D13-S15 PolarHBondContact O-N 3.01Å |
| 16 | G | 55.3 | Low | 61.3 | Low | 31 Ų | 31 | 117.1 Ų | 117.1 | 32% | 0.32 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -78.9 | -38 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N18 K19 I20 | G16-N18 VanDerWaalsContact C-N 3.32Å; G16-N18 PolarHBondContact O-N 2.98Å; G16-K19 PolarHBondContact O-N 3.15Å; G16-I20 VanDerWaalsContact O-CD1 3.29Å; G16-I20 WeakPolarHBondContact O-CD1 3.32Å; G16-I20 PolarHBondContact O-N 3.34Å |
| 17 | N | 57.3 | Low | 63.8 | Low | 120 Ų | 120 | 113.4 Ų | 113.4 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.3 | -31.8 | -174 | -68.4 | -0.1 | 0 | 0 | 0 | 112.9 | K19 I20 A21 | N17-K19 VanDerWaalsContact C-N 3.3Å; N17-K19 PolarHBondContact O-N 2.85Å; N17-I20 PolarHBondContact O-N 3.34Å; N17-A21 VanDerWaalsContact O-CB 3.26Å; N17-A21 WeakPolarHBondContact O-CB 3.17Å; N17-A21 PolarHBondContact O-N 2.9Å |
| 18 | N | 60.5 | Low | 66.6 | Low | 113 Ų | 113 | 111 Ų | 111 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.3 | -31.6 | 177 | -68.5 | -49.1 | 0 | 0 | 0 | 112.5 | V14 G16 N22 | V14-N18 PolarHBondContact O-ND2 2.67Å; G16-N18 VanDerWaalsContact C-N 3.32Å; G16-N18 PolarHBondContact O-N 2.98Å; N18-N22 WeakPolarHBondContact O-CB 3.41Å; N18-N22 PolarHBondContact O-N 2.98Å |
| 19 | K | 67.9 | Low | 69.1 | Low | 152 Ų | 152 | 112.5 Ų | 112.5 | 66% | 0.661 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -77.4 | -39.7 | 177.5 | -64.2 | -177.1 | -179.5 | -178.4 | 0 | 111.6 | G16 N17 N22 A23 | G16-K19 PolarHBondContact O-N 3.15Å; N17-K19 VanDerWaalsContact C-N 3.3Å; N17-K19 PolarHBondContact O-N 2.85Å; K19-N22 PolarHBondContact O-N 2.83Å; K19-A23 WeakPolarHBondContact O-CB 3.25Å; K19-A23 PolarHBondContact O-N 3.39Å |
| 20 | I | 70.3 | Confident | 71.7 | Confident | 99 Ų | 99 | 108.8 Ų | 108.8 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.1 | -47.6 | 173.6 | -85.3 | 78.2 | 0 | 0 | 0 | 110.4 | G16 N17 N22 A23 E24 | G16-I20 VanDerWaalsContact O-CD1 3.29Å; G16-I20 WeakPolarHBondContact O-CD1 3.32Å; G16-I20 PolarHBondContact O-N 3.34Å; N17-I20 PolarHBondContact O-N 3.34Å; I20-N22 VanDerWaalsContact C-N 3.29Å; I20-N22 PolarHBondContact O-N 3.34Å; I20-A23 PolarHBondContact O-N 2.69Å; I20-E24 WeakPolarHBondContact O-CG 3.24Å; I20-E24 PolarHBondContact O-N 2.79Å |
| 21 | A | 72.6 | Confident | 74.2 | Confident | 53 Ų | 53 | 102.8 Ų | 102.8 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.9 | -33.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N17 L25 | N17-A21 VanDerWaalsContact O-CB 3.26Å; N17-A21 WeakPolarHBondContact O-CB 3.17Å; N17-A21 PolarHBondContact O-N 2.9Å; A21-L25 WeakPolarHBondContact O-CB 3.44Å; A21-L25 PolarHBondContact O-N 3.47Å |
| 22 | N | 81.1 | Confident | 76.5 | Confident | 102 Ų | 102 | 97.4 Ų | 97.4 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.4 | -43.3 | 173.7 | -173.3 | -80.9 | 0 | 0 | 0 | 111.8 | N18 K19 I20 L25 E26 | N18-N22 WeakPolarHBondContact O-CB 3.41Å; N18-N22 PolarHBondContact O-N 2.98Å; K19-N22 PolarHBondContact O-N 2.83Å; I20-N22 VanDerWaalsContact C-N 3.29Å; I20-N22 PolarHBondContact O-N 3.34Å; N22-L25 WeakPolarHBondContact O-CB 3.41Å; N22-L25 PolarHBondContact O-N 2.72Å; N22-E26 PolarHBondContact O-N 2.83Å |
| 23 | A | 86.9 | Confident | 78.8 | Confident | 47 Ų | 47 | 97.9 Ų | 97.9 | 39% | 0.388 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K19 I20 L25 E26 V27 | K19-A23 WeakPolarHBondContact O-CB 3.25Å; K19-A23 PolarHBondContact O-N 3.39Å; I20-A23 PolarHBondContact O-N 2.69Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 3.1Å; A23-E26 PolarHBondContact O-N 3.32Å; A23-V27 WeakPolarHBondContact O-CG2 3.39Å; A23-V27 PolarHBondContact O-N 3.22Å |
| 24 | E | 88.1 | Confident | 81.2 | Confident | 120 Ų | 120 | 94.8 Ų | 94.8 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -39.8 | 174.1 | -73.6 | 176.2 | -179.4 | 0 | 0 | 111.9 | I20 E26 V27 L28 | I20-E24 WeakPolarHBondContact O-CG 3.24Å; I20-E24 PolarHBondContact O-N 2.79Å; E24-E26 VanDerWaalsContact C-N 3.34Å; E24-V27 PolarHBondContact O-N 3.37Å; E24-L28 WeakPolarHBondContact O-CG 3.21Å; E24-L28 PolarHBondContact O-N 3Å |
| 25 | L | 91.6 | Very high | 83.2 | Confident | 89 Ų | 89 | 95.3 Ų | 95.3 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 174.8 | -172.9 | 66.7 | 0 | 0 | 0 | 112.1 | A21 N22 A23 L28 K29 | A21-L25 WeakPolarHBondContact O-CB 3.44Å; A21-L25 PolarHBondContact O-N 3.47Å; N22-L25 WeakPolarHBondContact O-CB 3.41Å; N22-L25 PolarHBondContact O-N 2.72Å; A23-L25 VanDerWaalsContact C-N 3.34Å; A23-L25 PolarHBondContact O-N 3.1Å; L25-L28 PolarHBondContact O-N 3.37Å; L25-K29 VanDerWaalsContact O-CG 3.31Å; L25-K29 WeakPolarHBondContact O-CG 3.38Å; L25-K29 PolarHBondContact O-N 2.91Å |
| 26 | E | 91.1 | Very high | 85.4 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 174.4 | -170.8 | 175.1 | -171.6 | 0 | 0 | 111.5 | N22 A23 E24 L28 K29 L30 | N22-E26 PolarHBondContact O-N 2.83Å; A23-E26 PolarHBondContact O-N 3.32Å; E24-E26 VanDerWaalsContact C-N 3.34Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 3.36Å; E26-K29 WeakPolarHBondContact O-CB 3.33Å; E26-K29 PolarHBondContact O-N 3.02Å; E26-L30 HydrophobicContact CG-CD1 4.41Å; E26-L30 WeakPolarHBondContact O-CG 3.43Å; E26-L30 PolarHBondContact O-N 2.92Å |
| 27 | V | 95.4 | Very high | 87.4 | Confident | 75 Ų | 75 | 99.5 Ų | 99.5 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.4 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | A23 E24 K29 L30 Q31 | A23-V27 WeakPolarHBondContact O-CG2 3.39Å; A23-V27 PolarHBondContact O-N 3.22Å; E24-V27 PolarHBondContact O-N 3.37Å; V27-K29 VanDerWaalsContact C-N 3.34Å; V27-K29 PolarHBondContact O-N 3.03Å; V27-L30 PolarHBondContact O-N 3.15Å; V27-Q31 HydrophobicContact CG1-CG 4.41Å; V27-Q31 WeakPolarHBondContact O-CB 3.4Å; V27-Q31 VanDerWaalsContact O-CG 3.32Å; V27-Q31 WeakPolarHBondContact O-CG 3.38Å; V27-Q31 PolarHBondContact O-N 2.91Å |
| 28 | L | 95.6 | Very high | 89.3 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.2 | -73.6 | 171.1 | 0 | 0 | 0 | 112.2 | E24 L25 E26 L30 Q31 E32 | E24-L28 WeakPolarHBondContact O-CG 3.21Å; E24-L28 PolarHBondContact O-N 3Å; L25-L28 PolarHBondContact O-N 3.37Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 3.36Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-Q31 PolarHBondContact O-N 3.32Å; L28-E32 WeakPolarHBondContact O-CB 3.49Å; L28-E32 PolarHBondContact O-N 3.25Å |
| 29 | K | 96.8 | Very high | 91 | Very high | 137 Ų | 137 | 101.1 Ų | 101.1 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 173.9 | -75.8 | 173.1 | -179.8 | 177.5 | 0 | 111.7 | L25 E26 V27 E32 L33 | L25-K29 VanDerWaalsContact O-CG 3.31Å; L25-K29 WeakPolarHBondContact O-CG 3.38Å; L25-K29 PolarHBondContact O-N 2.91Å; E26-K29 WeakPolarHBondContact O-CB 3.33Å; E26-K29 PolarHBondContact O-N 3.02Å; V27-K29 VanDerWaalsContact C-N 3.34Å; V27-K29 PolarHBondContact O-N 3.03Å; K29-E32 PolarHBondContact O-N 2.97Å; K29-L33 WeakPolarHBondContact O-CB 3.5Å; K29-L33 PolarHBondContact O-N 3.1Å |
| 30 | L | 97.8 | Very high | 92.4 | Very high | 95 Ų | 95 | 97.7 Ų | 97.7 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.1 | -42.4 | 177.3 | -71.6 | 173.1 | 0 | 0 | 0 | 111.6 | E26 V27 L28 E32 L33 V34 | E26-L30 HydrophobicContact CG-CD1 4.41Å; E26-L30 WeakPolarHBondContact O-CG 3.43Å; E26-L30 PolarHBondContact O-N 2.92Å; V27-L30 PolarHBondContact O-N 3.15Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E32 PolarHBondContact O-N 2.97Å; L30-L33 WeakPolarHBondContact O-CB 3.34Å; L30-L33 PolarHBondContact O-N 2.97Å; L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.37Å |
| 31 | Q | 97.3 | Very high | 93.6 | Very high | 115 Ų | 115 | 96.5 Ų | 96.5 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 174.6 | -74.2 | 175.4 | -5.5 | 0 | 0 | 111.6 | V27 L28 L33 V34 R35 | V27-Q31 HydrophobicContact CG1-CG 4.41Å; V27-Q31 WeakPolarHBondContact O-CB 3.4Å; V27-Q31 VanDerWaalsContact O-CG 3.32Å; V27-Q31 WeakPolarHBondContact O-CG 3.38Å; V27-Q31 PolarHBondContact O-N 2.91Å; L28-Q31 PolarHBondContact O-N 3.32Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.48Å; Q31-V34 PolarHBondContact O-N 3.44Å; Q31-R35 WeakPolarHBondContact O-CB 3.4Å; Q31-R35 PolarHBondContact O-N 3.23Å |
| 32 | E | 96.9 | Very high | 94.7 | Very high | 65 Ų | 65 | 99.1 Ų | 99.1 | 30% | 0.304 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 176.2 | 177.8 | 56.8 | -162.4 | 0 | 0 | 112.3 | L28 K29 L30 R35 K36 | L28-E32 WeakPolarHBondContact O-CB 3.49Å; L28-E32 PolarHBondContact O-N 3.25Å; K29-E32 PolarHBondContact O-N 2.97Å; L30-E32 VanDerWaalsContact C-N 3.34Å; L30-E32 PolarHBondContact O-N 2.97Å; E32-R35 IonicContact OE1-CZ 3.41Å; E32-R35 IonicContact OE1-NE 2.77Å; E32-R35 IonicContact OE1-NH2 3.22Å; E32-R35 PolarHBondContact OE1-NH2 2.94Å; E32-R35 IonicContact OE2-CZ 3.42Å; E32-R35 IonicContact OE2-NE 2.71Å; E32-R35 PolarHBondContact OE2-NE 3.06Å; E32-R35 IonicContact OE2-NH2 3.6Å; E32-R35 PolarHBondContact OE2-NH2 2.93Å; E32-K36 HydrophobicContact CG-CD 4.39Å; E32-K36 WeakPolarHBondContact O-CB 3.4Å; E32-K36 VanDerWaalsContact O-CG 3.32Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.37Å; E32-K36 WeakPolarHBondContact OE1-CE 3.36Å; E32-K36 IonicContact OE1-NZ 2.88Å; E32-K36 PolarHBondContact OE1-NZ 3.37Å |
| 33 | L | 97.9 | Very high | 95.3 | Very high | 92 Ų | 92 | 100.7 Ų | 100.7 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 173.9 | -179.5 | 64.3 | 0 | 0 | 0 | 111.4 | K29 L30 Q31 K36 L37 | K29-L33 WeakPolarHBondContact O-CB 3.5Å; K29-L33 PolarHBondContact O-N 3.1Å; L30-L33 WeakPolarHBondContact O-CB 3.34Å; L30-L33 PolarHBondContact O-N 2.97Å; Q31-L33 VanDerWaalsContact C-N 3.32Å; Q31-L33 PolarHBondContact O-N 3.48Å; L33-K36 WeakPolarHBondContact O-CB 3.49Å; L33-K36 PolarHBondContact O-N 3.08Å; L33-L37 HydrophobicContact CD1-CD1 4.45Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.13Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 2.94Å |
| 34 | V | 97.9 | Very high | 95.7 | Very high | 75 Ų | 75 | 103.9 Ų | 103.9 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 176.1 | 170.5 | 0 | 0 | 0 | 0 | 110 | L30 Q31 K36 L37 E38 | L30-V34 WeakPolarHBondContact O-CG2 3.38Å; L30-V34 PolarHBondContact O-N 3.37Å; Q31-V34 PolarHBondContact O-N 3.44Å; V34-K36 VanDerWaalsContact C-N 3.28Å; V34-K36 PolarHBondContact O-N 3.44Å; V34-L37 PolarHBondContact O-N 2.88Å; V34-L37 VanDerWaalsContact O-N 3.09Å; V34-E38 HydrophobicContact CG1-CG 4.27Å; V34-E38 WeakPolarHBondContact O-CB 3.4Å; V34-E38 WeakPolarHBondContact O-CG 3.44Å; V34-E38 PolarHBondContact O-N 2.92Å |
| 35 | R | 97.9 | Very high | 95.8 | Very high | 128 Ų | 128 | 104.5 Ų | 104.5 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.3 | -40.2 | 176.3 | -168.8 | -168.8 | 71.8 | 85.5 | -1 | 112.5 | Q31 E32 K39 | Q31-R35 WeakPolarHBondContact O-CB 3.4Å; Q31-R35 PolarHBondContact O-N 3.23Å; E32-R35 IonicContact OE1-CZ 3.41Å; E32-R35 IonicContact OE1-NE 2.77Å; E32-R35 IonicContact OE1-NH2 3.22Å; E32-R35 PolarHBondContact OE1-NH2 2.94Å; E32-R35 IonicContact OE2-CZ 3.42Å; E32-R35 IonicContact OE2-NE 2.71Å; E32-R35 PolarHBondContact OE2-NE 3.06Å; E32-R35 IonicContact OE2-NH2 3.6Å; E32-R35 PolarHBondContact OE2-NH2 2.93Å; R35-K39 WeakPolarHBondContact O-CB 3.07Å; R35-K39 PolarHBondContact O-N 3.24Å; R35-K39 VanDerWaalsContact O-N 3.08Å |
| 36 | K | 97.7 | Very high | 95.7 | Very high | 101 Ų | 101 | 103.3 Ų | 103.3 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 175.4 | -80.7 | 170.8 | 173.2 | 155.6 | 0 | 111.9 | E32 L33 V34 K39 Q40 | E32-K36 HydrophobicContact CG-CD 4.39Å; E32-K36 WeakPolarHBondContact O-CB 3.4Å; E32-K36 VanDerWaalsContact O-CG 3.32Å; E32-K36 WeakPolarHBondContact O-CG 3.44Å; E32-K36 PolarHBondContact O-N 3.37Å; E32-K36 WeakPolarHBondContact OE1-CE 3.36Å; E32-K36 IonicContact OE1-NZ 2.88Å; E32-K36 PolarHBondContact OE1-NZ 3.37Å; L33-K36 WeakPolarHBondContact O-CB 3.49Å; L33-K36 PolarHBondContact O-N 3.08Å; V34-K36 VanDerWaalsContact C-N 3.28Å; V34-K36 PolarHBondContact O-N 3.44Å; K36-K39 PolarHBondContact O-N 3.44Å; K36-Q40 WeakPolarHBondContact O-CG 3.46Å; K36-Q40 PolarHBondContact O-N 2.95Å |
| 37 | L | 97.8 | Very high | 95.5 | Very high | 94 Ų | 94 | 105.8 Ų | 105.8 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.7 | -77.5 | 171.1 | 0 | 0 | 0 | 111.3 | L33 V34 K39 Q40 N41 | L33-L37 HydrophobicContact CD1-CD1 4.45Å; L33-L37 HydrophobicContact CD1-CG 4.46Å; L33-L37 HydrophobicContact CG-CD1 4.13Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 WeakPolarHBondContact O-CG 3.5Å; L33-L37 PolarHBondContact O-N 2.94Å; V34-L37 PolarHBondContact O-N 2.88Å; V34-L37 VanDerWaalsContact O-N 3.09Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 2.88Å; L37-Q40 PolarHBondContact O-N 3.42Å; L37-N41 VanDerWaalsContact O-CB 3.28Å; L37-N41 WeakPolarHBondContact O-CB 3.35Å; L37-N41 PolarHBondContact O-N 3.33Å |
| 38 | E | 96.8 | Very high | 94.8 | Very high | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.2 | -46.5 | 174.2 | -73.7 | 174.2 | 164 | 0 | 0 | 111 | V34 Q40 N41 E42 | V34-E38 HydrophobicContact CG1-CG 4.27Å; V34-E38 WeakPolarHBondContact O-CB 3.4Å; V34-E38 WeakPolarHBondContact O-CG 3.44Å; V34-E38 PolarHBondContact O-N 2.92Å; E38-Q40 VanDerWaalsContact C-N 3.35Å; E38-Q40 PolarHBondContact O-N 2.93Å; E38-N41 PolarHBondContact O-N 3.28Å; E38-E42 WeakPolarHBondContact O-CB 3.47Å; E38-E42 PolarHBondContact O-N 3.44Å |
| 39 | K | 96.6 | Very high | 93.7 | Very high | 145 Ų | 145 | 104.3 Ų | 104.3 | 63% | 0.63 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.3 | -40.2 | 176.1 | -173.1 | 174.3 | -178.9 | 176.1 | 0 | 112.5 | R35 K36 L37 Q43 | R35-K39 WeakPolarHBondContact O-CB 3.07Å; R35-K39 PolarHBondContact O-N 3.24Å; R35-K39 VanDerWaalsContact O-N 3.08Å; K36-K39 PolarHBondContact O-N 3.44Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-K39 PolarHBondContact O-N 2.88Å; K39-Q43 WeakPolarHBondContact O-CB 3.32Å; K39-Q43 PolarHBondContact O-N 3.37Å |
| 40 | Q | 97 | Very high | 92.4 | Very high | 81 Ų | 81 | 100.3 Ų | 100.3 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 175.5 | -74.8 | -178.2 | -63.8 | 0 | 0 | 111.6 | K36 L37 E38 Q43 L44 | K36-Q40 WeakPolarHBondContact O-CG 3.46Å; K36-Q40 PolarHBondContact O-N 2.95Å; L37-Q40 PolarHBondContact O-N 3.42Å; E38-Q40 VanDerWaalsContact C-N 3.35Å; E38-Q40 PolarHBondContact O-N 2.93Å; Q40-Q43 WeakPolarHBondContact O-CB 3.44Å; Q40-Q43 PolarHBondContact O-N 2.89Å; Q40-L44 WeakPolarHBondContact O-CG 3.4Å; Q40-L44 PolarHBondContact O-N 3.23Å |
| 41 | N | 95.7 | Very high | 90.6 | Very high | 74 Ų | 74 | 100.4 Ų | 100.4 | 40% | 0.396 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.5 | -38.2 | 179.5 | -149.2 | -14.8 | 0 | 0 | 0 | 110.9 | L37 E38 Q43 L44 R45 | L37-N41 VanDerWaalsContact O-CB 3.28Å; L37-N41 WeakPolarHBondContact O-CB 3.35Å; L37-N41 PolarHBondContact O-N 3.33Å; E38-N41 PolarHBondContact O-N 3.28Å; N41-Q43 VanDerWaalsContact C-N 3.34Å; N41-L44 PolarHBondContact O-N 2.87Å; N41-R45 WeakPolarHBondContact O-CG 3.24Å; N41-R45 PolarHBondContact O-N 2.85Å |
| 42 | E | 95.5 | Very high | 88.7 | Confident | 107 Ų | 107 | 100.6 Ų | 100.6 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 172.1 | -167.2 | 54.9 | -134.8 | 0 | 0 | 111.8 | E38 L44 R45 S46 | E38-E42 WeakPolarHBondContact O-CB 3.47Å; E38-E42 PolarHBondContact O-N 3.44Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.32Å; E42-R45 PolarHBondContact O-N 2.86Å; E42-S46 VanDerWaalsContact O-CB 3.31Å; E42-S46 WeakPolarHBondContact O-CB 3.48Å; E42-S46 PolarHBondContact O-N 3.27Å; E42-S46 PolarHBondContact O-OG 3.22Å |
| 43 | Q | 93.8 | Very high | 86.8 | Confident | 136 Ų | 136 | 103.7 Ų | 103.7 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -39 | 174 | -174 | 177 | 5.8 | 0 | 0 | 111.9 | K39 Q40 N41 R47 | K39-Q43 WeakPolarHBondContact O-CB 3.32Å; K39-Q43 PolarHBondContact O-N 3.37Å; Q40-Q43 WeakPolarHBondContact O-CB 3.44Å; Q40-Q43 PolarHBondContact O-N 2.89Å; N41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-R47 VanDerWaalsContact O-CB 3.3Å; Q43-R47 WeakPolarHBondContact O-CB 3.3Å; Q43-R47 PolarHBondContact O-N 3.36Å |
| 44 | L | 94.1 | Very high | 84.5 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.7 | -42.5 | 175.3 | -72.5 | 171.4 | 0 | 0 | 0 | 111.7 | Q40 N41 E42 R47 A48 | Q40-L44 WeakPolarHBondContact O-CG 3.4Å; Q40-L44 PolarHBondContact O-N 3.23Å; N41-L44 PolarHBondContact O-N 2.87Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L44 PolarHBondContact O-N 3.32Å; L44-R47 PolarHBondContact O-N 2.85Å; L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 3.44Å |
| 45 | R | 91.2 | Very high | 82.1 | Confident | 133 Ų | 133 | 106.2 Ų | 106.2 | 50% | 0.502 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 174 | -72.5 | 179.6 | -178.1 | 120.4 | 2 | 111.9 | N41 E42 R47 A48 N49 | N41-R45 WeakPolarHBondContact O-CG 3.24Å; N41-R45 PolarHBondContact O-N 2.85Å; E42-R45 PolarHBondContact O-N 2.86Å; R45-R47 VanDerWaalsContact C-N 3.34Å; R45-R47 PolarHBondContact O-N 2.71Å; R45-A48 PolarHBondContact O-N 3.15Å; R45-N49 WeakPolarHBondContact O-CB 3.44Å; R45-N49 PolarHBondContact O-N 3.23Å; R45-N49 PolarHBondContact O-ND2 2.79Å |
| 46 | S | 90 | Very high | 79.9 | Confident | 65 Ų | 65 | 107 Ų | 107 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -61.8 | -41.5 | 175.7 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | E42 A50 | E42-S46 VanDerWaalsContact O-CB 3.31Å; E42-S46 WeakPolarHBondContact O-CB 3.48Å; E42-S46 PolarHBondContact O-N 3.27Å; E42-S46 PolarHBondContact O-OG 3.22Å; S46-A50 WeakPolarHBondContact O-CB 3.48Å; S46-A50 PolarHBondContact O-N 3.42Å |
| 47 | R | 86.2 | Confident | 76.8 | Confident | 165 Ų | 165 | 105.3 Ų | 105.3 | 62% | 0.623 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.9 | -41.4 | 177 | -174.5 | 176.5 | 176.3 | 172.8 | -1.2 | 112.3 | Q43 L44 R45 N49 A50 V51 | Q43-R47 VanDerWaalsContact O-CB 3.3Å; Q43-R47 WeakPolarHBondContact O-CB 3.3Å; Q43-R47 PolarHBondContact O-N 3.36Å; L44-R47 PolarHBondContact O-N 2.85Å; R45-R47 VanDerWaalsContact C-N 3.34Å; R45-R47 PolarHBondContact O-N 2.71Å; R47-N49 VanDerWaalsContact C-N 3.32Å; R47-A50 PolarHBondContact O-N 2.77Å; R47-V51 WeakPolarHBondContact O-CG2 3.41Å; R47-V51 PolarHBondContact O-N 3.33Å |
| 48 | A | 79.8 | Confident | 74.3 | Confident | 51 Ų | 51 | 107 Ų | 107 | 42% | 0.421 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.4 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L44 R45 V51 N52 | L44-A48 VanDerWaalsContact O-CB 3.31Å; L44-A48 WeakPolarHBondContact O-CB 3.38Å; L44-A48 PolarHBondContact O-N 3.44Å; R45-A48 PolarHBondContact O-N 3.15Å; A48-V51 PolarHBondContact O-N 2.96Å; A48-N52 PolarHBondContact O-N 3.23Å; A48-N52 PolarHBondContact O-ND2 3.02Å |
| 49 | N | 73.9 | Confident | 71.7 | Confident | 96 Ų | 96 | 107.8 Ų | 107.8 | 51% | 0.513 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69 | -36 | 173.6 | -74.7 | -20.3 | 0 | 0 | 0 | 112.3 | R45 R47 N52 N53 | R45-N49 WeakPolarHBondContact O-CB 3.44Å; R45-N49 PolarHBondContact O-N 3.23Å; R45-N49 PolarHBondContact O-ND2 2.79Å; R47-N49 VanDerWaalsContact C-N 3.32Å; N49-N52 PolarHBondContact O-N 2.99Å; N49-N53 PolarHBondContact O-N 3.45Å; N49-N53 PolarHBondContact O-ND2 3.05Å |
| 50 | A | 67.8 | Low | 68.8 | Low | 53 Ų | 53 | 109.2 Ų | 109.2 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.3 | -40.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | S46 R47 N52 N53 C54 | S46-A50 WeakPolarHBondContact O-CB 3.48Å; S46-A50 PolarHBondContact O-N 3.42Å; R47-A50 PolarHBondContact O-N 2.77Å; A50-N52 VanDerWaalsContact C-N 3.34Å; A50-N53 PolarHBondContact O-N 3.38Å; A50-C54 PolarHBondContact O-N 3.42Å; A50-C54 PolarHBondContact O-SG 3.26Å; A50-C54 VanDerWaalsContact O-SG 3.39Å |
| 51 | V | 60.8 | Low | 66.2 | Low | 98 Ų | 98 | 112 Ų | 112 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.9 | -36.6 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | R47 A48 | R47-V51 WeakPolarHBondContact O-CG2 3.41Å; R47-V51 PolarHBondContact O-N 3.33Å; A48-V51 PolarHBondContact O-N 2.96Å |
| 52 | N | 58.4 | Low | 63.1 | Low | 118 Ų | 118 | 114.8 Ų | 114.8 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.7 | -21.6 | 177.2 | -74 | -21.2 | 0 | 0 | 0 | 114.1 | A48 N49 A50 | A48-N52 PolarHBondContact O-N 3.23Å; A48-N52 PolarHBondContact O-ND2 3.02Å; N49-N52 PolarHBondContact O-N 2.99Å; A50-N52 VanDerWaalsContact C-N 3.34Å |
| 53 | N | 56.4 | Low | 60.2 | Low | 130 Ų | 130 | 114.7 Ų | 114.7 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -3.2 | 178.2 | -73.1 | -57.3 | 0 | 0 | 0 | 113.9 | N49 A50 | N49-N53 PolarHBondContact O-N 3.45Å; N49-N53 PolarHBondContact O-ND2 3.05Å; A50-N53 PolarHBondContact O-N 3.38Å |
| 54 | C | 49.7 | Very low | 57.3 | Low | 116 Ų | 116 | 115.6 Ų | 115.6 | 78% | 0.784 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 8.2 | 175 | -69.2 | 0 | 0 | 0 | 0 | 114.4 | A50 | A50-C54 PolarHBondContact O-N 3.42Å; A50-C54 PolarHBondContact O-SG 3.26Å; A50-C54 VanDerWaalsContact O-SG 3.39Å |
| 55 | S | 46.9 | Very low | 54.3 | Low | 104 Ų | 104 | 115.4 Ų | 115.4 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -104.3 | 15.5 | -177.1 | -170.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 56 | V | 51.5 | Low | 51.4 | Low | 144 Ų | 144 | 115.2 Ų | 115.2 | 87% | 0.873 | 69% | 0.689 | S | S | * | * | | | trans | -127.6 | 89.9 | 177 | -172.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 57 | G | 33.7 | Very low | 48.6 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -174.4 | 139.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 58 | P | 45.3 | Very low | 46.1 | Very low | 128 Ų | 128 | 121.6 Ų | 121.6 | 83% | 0.831 | 72% | 0.723 | S | S | * | * | | | trans | -85 | 136.8 | -136.9 | 32.5 | -35.1 | 0 | 0 | 0 | 115.6 | | |
| 59 | H | 41.4 | Very low | 43.6 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | | | trans | 25.2 | 103.6 | 132.5 | -159.6 | 71.9 | 0 | 0 | 0 | 118.6 | Q61 | H59-Q61 WeakPolarHBondContact CE1-CG 3.42Å; H59-Q61 PolarHBondContact CE1-NE2 3.11Å; H59-Q61 WeakPolarHBondContact NE2-CG 3.49Å; H59-Q61 PolarHBondContact NE2-NE2 3.26Å |
| 60 | L | 35.3 | Very low | 41.5 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | | | trans | -129 | 119.7 | 136.4 | -82.4 | 173.9 | 0 | 0 | 0 | 108.6 | | |
| 61 | Q | 43.3 | Very low | 39.8 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 65% | 0.654 | 78% | 0.777 | S | S | * | * | | | trans | -66.5 | 135.1 | 178.8 | -58.3 | -178.6 | 6 | 0 | 0 | 110.4 | H59 | H59-Q61 WeakPolarHBondContact CE1-CG 3.42Å; H59-Q61 PolarHBondContact CE1-NE2 3.11Å; H59-Q61 WeakPolarHBondContact NE2-CG 3.49Å; H59-Q61 PolarHBondContact NE2-NE2 3.26Å |
| 62 | T | 31.1 | Very low | 38.5 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -146.2 | 92.4 | 143.1 | -43.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 63 | S | 34.6 | Very low | 37.2 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | trans | -76.1 | 122.1 | 164.1 | -69.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 64 | L | 32.5 | Very low | 35.8 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -136.2 | 99.9 | 152.9 | -83.4 | 177.9 | 0 | 0 | 0 | 109.7 | | |
| 65 | S | 31.5 | Very low | 34.9 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -62.3 | 123.1 | 166.7 | -49.7 | 0 | 0 | 0 | 0 | 109.8 | L67 | S65-L67 PolarHBondContact O-N 3.16Š|
| 66 | C | 29.9 | Very low | 33.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | | | trans | -82 | 111.6 | 171.2 | -71.6 | 0 | 0 | 0 | 0 | 110 | | |
| 67 | L | 31.5 | Very low | 32.9 | Very low | 163 Ų | 163 | 125.8 Ų | 125.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -58.7 | 126.9 | 167 | -101.4 | 73.1 | 0 | 0 | 0 | 110.5 | S65 | S65-L67 PolarHBondContact O-N 3.16Š|
| 68 | H | 32.1 | Very low | 32.7 | Very low | 202 Ų | 202 | 132.1 Ų | 132.1 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | | | trans | -80.6 | 125.8 | 152 | -97.8 | 73.2 | 0 | 0 | 0 | 108.3 | | |
| 69 | G | 28.8 | Very low | 31.9 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | -143.4 | 120.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 70 | A | 29.9 | Very low | 31.1 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -48.2 | 140.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 71 | T | 31.4 | Very low | 30.7 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 93% | 0.926 | 77% | 0.766 | S | S | * | * | | | trans | -98.1 | 109.7 | 157.1 | 36.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 72 | A | 33.2 | Very low | 30 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | | | trans | -135.8 | 119.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 73 | C | 30.2 | Very low | 29.7 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | | | trans | 173.9 | 120.2 | 136.2 | -91.5 | 0 | 0 | 0 | 0 | 112 | | |
| 74 | L | 28.6 | Very low | 29.5 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | 67.7 | 121.7 | 142 | -80.1 | 96.7 | 0 | 0 | 0 | 123 | | |
| 75 | S | 29.6 | Very low | 29.3 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | trans | -43.1 | 154.5 | 145.1 | 48.1 | 0 | 0 | 0 | 0 | 113 | | |
| 76 | D | 27 | Very low | 29.2 | Very low | 141 Ų | 141 | 127 Ų | 127 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | | -173.6 | 140.7 | 60.7 | -140.9 | -18.1 | 0 | 0 | 0 | 112.5 | | |
| 77 | S | 30.8 | Very low | 29.6 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 54% | 0.538 | 77% | 0.765 | S | S | . | * | | | trans | 27.4 | 148.1 | 146.3 | -52.2 | 0 | 0 | 0 | 0 | 127.1 | | |
| 78 | F | 28.8 | Very low | 29.5 | Very low | 200 Ų | 200 | 125 Ų | 125 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | | | trans | 80.6 | 144.3 | 154.3 | -56.7 | -66 | 0 | 0 | 0 | 118 | | |
| 79 | S | 27.8 | Very low | 29.4 | Very low | 97 Ų | 97 | 126 Ų | 126 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | cis | -177 | 154.6 | -9.5 | 177.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 80 | C | 24.7 | Very low | 30 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | | | trans | 66.6 | 149.9 | 160.4 | -83.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 81 | K | 27.2 | Very low | 29.8 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 62% | 0.622 | 74% | 0.738 | S | S | * | * | | | cis | 172.7 | 160.5 | -24 | -106.7 | -150.6 | -178 | -166.4 | 0 | 104.5 | | |
| 82 | Y | 29 | Very low | 29.6 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 66% | 0.663 | 73% | 0.734 | S | S | * | * | | | trans | 78.4 | 105.7 | 164.4 | -45.4 | -65.8 | 0 | 0 | 0 | 114.6 | | |
| 83 | D | 25 | Very low | 29.4 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | | 83 | 114.6 | 83.8 | -76.3 | -36.5 | 0 | 0 | 0 | 112 | | |
| 84 | A | 29.4 | Very low | 29.3 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | | | | 159 | 114.1 | 115.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 85 | S | 29.7 | Very low | 29.9 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | | | trans | 71.2 | 109.6 | 131.7 | -51.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 86 | S | 29.1 | Very low | 29.9 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | -59.6 | 166.1 | 143.5 | -44.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 87 | P | 37 | Very low | 29.9 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 75% | 0.751 | S | S | * | * | | | | -145.4 | 172 | 80.6 | 34.3 | -14 | 0 | 0 | 0 | 115.6 | | |
| 88 | T | 30 | Very low | 30.3 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | -99.4 | 135.1 | -171.4 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 89 | R | 29.4 | Very low | 30.4 | Very low | 223 Ų | 223 | 129.1 Ų | 129.1 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | | | trans | 63.1 | 176.9 | 146.5 | -88.6 | -175.6 | 88.4 | 168.4 | 4.5 | 119.2 | | |
| 90 | P | 42.2 | Very low | 30.4 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 59% | 0.591 | 77% | 0.765 | S | S | * | * | | | cis | -143.4 | -175.4 | -42.7 | 39 | -21.4 | 0 | 0 | 0 | 114.7 | | |
| 91 | C | 25.6 | Very low | 30.9 | Very low | 93 Ų | 93 | 136.5 Ų | 136.5 | 63% | 0.628 | 77% | 0.769 | S | S | * | * | | | trans | 100.2 | 112.2 | 141.7 | -71.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 92 | F | 27 | Very low | 31.4 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | 50.8 | 114 | 132.9 | -64.2 | -76.3 | 0 | 0 | 0 | 122.3 | | |
| 93 | S | 28.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | | -176.6 | 127.8 | 121.4 | 42.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 94 | A | 29.1 | Very low | 31.6 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -80.3 | -175.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 95 | P | 40.4 | Very low | 31.6 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | cis | -133.7 | 144 | -13.3 | 36 | -18.2 | 0 | 0 | 0 | 114 | | |
| 96 | R | 29.8 | Very low | 31.7 | Very low | 251 Ų | 251 | 139.7 Ų | 139.7 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | | | trans | -179.5 | 119.5 | 144.9 | -123.7 | 172.2 | 168.9 | 150.6 | -4.1 | 111.4 | | |
| 97 | A | 28.4 | Very low | 31.9 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | -76.8 | 161.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 98 | P | 39.2 | Very low | 31.7 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | | -146.8 | 172.1 | 61.7 | 37.4 | -17.1 | 0 | 0 | 0 | 117 | | |
| 99 | A | 29.4 | Very low | 31.6 | Very low | 91 Ų | 91 | 142.4 Ų | 142.4 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | 63.8 | 119.1 | 157 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 100 | E | 29.1 | Very low | 31.7 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | | -161.9 | 137.7 | 58.3 | -78.6 | -160.6 | 157.8 | 0 | 0 | 110 | | |
| 101 | E | 33.3 | Very low | 31.2 | Very low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -82 | 147.6 | 157.8 | -142 | -177.2 | 164.5 | 0 | 0 | 106.4 | | |
| 102 | P | 39.4 | Very low | 31.7 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | | | | -154.3 | 153.8 | 90.4 | 37.1 | -17 | 0 | 0 | 0 | 117.5 | | |
| 103 | F | 27.7 | Very low | 32.4 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | 97.9 | 103.5 | 156.6 | -63.7 | -70.3 | 0 | 0 | 0 | 120 | | |
| 104 | A | 29.8 | Very low | 32.6 | Very low | 87 Ų | 87 | 133.3 Ų | 133.3 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | trans | -78.2 | 151.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 105 | Y | 29.1 | Very low | 32.9 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | | 176.2 | 126.6 | 130 | -141.9 | -119 | 0 | 0 | 0 | 107.3 | | |
| 106 | F | 31.9 | Very low | 32.9 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 82% | 0.82 | 79% | 0.794 | S | S | * | * | | | | -146.2 | 127.1 | 58.6 | -92.7 | -97.8 | 0 | 0 | 0 | 111.2 | | |
| 107 | Q | 34.5 | Very low | 33.4 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | -109.8 | 141.3 | 155.7 | -112.5 | -178.1 | -10.6 | 0 | 0 | 108.1 | | |
| 108 | P | 31.6 | Very low | 33.9 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | trans | -66.9 | 138.3 | 175.3 | -16.6 | 30.4 | 0 | 0 | 0 | 112.2 | | |
| 109 | S | 29.2 | Very low | 33.6 | Very low | 118 Ų | 118 | 133 Ų | 133 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -51 | 137.6 | -176.7 | -57.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 110 | S | 31.3 | Very low | 33.9 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -121.8 | 127.3 | 149.2 | 63.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 111 | A | 30.1 | Very low | 34.1 | Very low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -76.9 | 152.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 112 | S | 36.2 | Very low | 34.3 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | -48 | 156.5 | 171.5 | -163.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 113 | P | 41.7 | Very low | 34.2 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | | -145.5 | 142.6 | 88.8 | 32.2 | -12.9 | 0 | 0 | 0 | 114.8 | | |
| 114 | G | 34 | Very low | 34.6 | Very low | 71 Ų | 71 | 119.7 Ų | 119.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | -96.7 | 134.2 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 115 | A | 34.8 | Very low | 35 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -179.6 | 126.6 | 140.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 116 | A | 40.5 | Very low | 35.7 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -76.1 | 131.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 117 | V | 40.5 | Very low | 36.3 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -149.8 | 144.7 | 147.5 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 118 | E | 38.3 | Very low | 37 | Very low | 179 Ų | 179 | 113.9 Ų | 113.9 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -66.4 | 161.6 | -168.1 | -48.8 | -172.4 | 128.6 | 0 | 0 | 116.5 | | |
| 119 | D | 33.9 | Very low | 37.6 | Very low | 142 Ų | 142 | 115.6 Ų | 115.6 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | | | trans | 73.8 | 137.5 | 136.6 | -157.7 | 40.6 | 0 | 0 | 0 | 121.8 | | |
| 120 | S | 36.1 | Very low | 38.7 | Very low | 99 Ų | 99 | 117.7 Ų | 117.7 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | 69 | 116.5 | 154.6 | -75.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 121 | G | 32.1 | Very low | 39.7 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | | 108.7 | 100.3 | 125.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 122 | A | 36.9 | Very low | 41 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | 69.1 | 122 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 123 | A | 39.1 | Very low | 42.1 | Very low | 109 Ų | 109 | 124 Ų | 124 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | 72.8 | 118.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 124 | G | 35.1 | Very low | 43 | Very low | 75 Ų | 75 | 124.8 Ų | 124.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | 165.8 | 59.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 125 | A | 37.7 | Very low | 43.8 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | trans | 71.2 | 135.3 | 141.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 126 | T | 43.5 | Very low | 45 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | 83 | 70.5 | 150.4 | 71.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 127 | T | 44.3 | Very low | 45.8 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | -112.2 | 74.5 | 145.6 | 56.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 128 | V | 50.4 | Low | 46.5 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -137.1 | 53.1 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 129 | L | 44 | Very low | 47.5 | Very low | 165 Ų | 165 | 122.8 Ų | 122.8 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | -156.3 | 41.8 | 166.5 | -71.6 | -173.8 | 0 | 0 | 0 | 110.1 | | |
| 130 | D | 52 | Low | 48.4 | Very low | 161 Ų | 161 | 120.5 Ų | 120.5 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | trans | -122.8 | 38.9 | 171.4 | -163.6 | 39.5 | 0 | 0 | 0 | 111.2 | | |
| 131 | E | 52.9 | Low | 49 | Very low | 191 Ų | 191 | 121.2 Ų | 121.2 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | | | trans | -136.3 | 78.6 | 163.3 | -68.6 | -165.8 | -162.8 | 0 | 0 | 107.3 | | |
| 132 | V | 57.1 | Low | 49.8 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | -108.7 | 94.4 | 163.6 | -165.7 | 0 | 0 | 0 | 0 | 106.2 | V134 | V132-V134 PolarHBondContact O-N 2.79Š|
| 133 | D | 58.7 | Low | 50.6 | Low | 147 Ų | 147 | 124.9 Ų | 124.9 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | trans | -52.3 | 124 | 167.5 | -84.2 | -33.6 | 0 | 0 | 0 | 108.6 | L135 | D133-L135 PolarHBondContact O-N 3.32Š|
| 134 | V | 61.3 | Low | 51 | Low | 145 Ų | 145 | 122.7 Ų | 122.7 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | | | trans | -61.9 | 104.3 | 175 | 178.6 | 0 | 0 | 0 | 0 | 107.4 | V132 D136 | V132-V134 PolarHBondContact O-N 2.79Å; V134-D136 PolarHBondContact O-N 3.21Å |
| 135 | L | 51.3 | Low | 51.6 | Low | 124 Ų | 124 | 126.7 Ų | 126.7 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | | | trans | -65.6 | 108 | 179.6 | -134.8 | 81 | 0 | 0 | 0 | 108.9 | D133 L137 | D133-L135 PolarHBondContact O-N 3.32Å; L135-L137 PolarHBondContact O-N 3.45Å |
| 136 | D | 58.8 | Low | 52 | Low | 77 Ų | 77 | 128 Ų | 128 | 41% | 0.412 | 73% | 0.734 | S | S | . | * | | | trans | -69.9 | 97.4 | 173.5 | -179.8 | 14.7 | 0 | 0 | 0 | 109.6 | V134 N138 T139 | V134-D136 PolarHBondContact O-N 3.21Å; D136-N138 PolarHBondContact O-N 3.31Å; D136-N138 WeakPolarHBondContact OD1-CB 3.38Å; D136-N138 PolarHBondContact OD1-N 2.9Å; D136-N138 PolarHBondContact OD1-ND2 2.88Å; D136-T139 PolarHBondContact O-N 3.49Å; D136-T139 PolarHBondContact O-OG1 2.92Å |
| 137 | L | 58.2 | Low | 52.2 | Low | 116 Ų | 116 | 128.6 Ų | 128.6 | 61% | 0.607 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -59.8 | -12.8 | 179.5 | -68.4 | 164.6 | 0 | 0 | 0 | 113.2 | L135 L141 | L135-L137 PolarHBondContact O-N 3.45Å; L137-L141 PolarHBondContact O-N 2.89Å |
| 138 | N | 55 | Low | 52.6 | Low | 127 Ų | 127 | 126 Ų | 126 | 68% | 0.679 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -80.6 | -16.5 | 174 | -58.3 | -61.1 | 0 | 0 | 0 | 113.7 | D136 | D136-N138 PolarHBondContact O-N 3.31Å; D136-N138 WeakPolarHBondContact OD1-CB 3.38Å; D136-N138 PolarHBondContact OD1-N 2.9Å; D136-N138 PolarHBondContact OD1-ND2 2.88Å |
| 139 | T | 58.4 | Low | 53 | Low | 108 Ų | 108 | 131.4 Ų | 131.4 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -93.2 | -25.1 | 175.5 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | D136 | D136-T139 PolarHBondContact O-N 3.49Å; D136-T139 PolarHBondContact O-OG1 2.92Å |
| 140 | V | 54.7 | Low | 53.7 | Low | 94 Ų | 94 | 130.8 Ų | 130.8 | 57% | 0.57 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -91 | -22.2 | -178.7 | -176.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 141 | L | 48.3 | Very low | 54.2 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 60% | 0.597 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -116.3 | 103.4 | 172.1 | -78.9 | 156.3 | 0 | 0 | 0 | 109.4 | L137 V143 | L137-L141 PolarHBondContact O-N 2.89Å; L141-V143 PolarHBondContact O-N 3.24Å; L141-V143 VanDerWaalsContact O-N 3.14Å |
| 142 | P | 48.7 | Very low | 54.4 | Low | 115 Ų | 115 | 127.3 Ų | 127.3 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | | | trans | -56.9 | 124.1 | 158.4 | -8.1 | 22.1 | 0 | 0 | 0 | 105.8 | G144 | P142-G144 PolarHBondContact O-N 3.44Š|
| 143 | V | 52.4 | Low | 54.2 | Low | 138 Ų | 138 | 125.9 Ų | 125.9 | 84% | 0.836 | 69% | 0.691 | S | S | * | * | | | trans | -54.3 | 89.2 | 176.9 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | L141 | L141-V143 PolarHBondContact O-N 3.24Å; L141-V143 VanDerWaalsContact O-N 3.14Å |
| 144 | G | 48.2 | Very low | 54 | Low | 64 Ų | 64 | 124.1 Ų | 124.1 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | | | trans | -91.6 | 128.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | P142 | P142-G144 PolarHBondContact O-N 3.44Š|
| 145 | E | 47.3 | Very low | 52.9 | Low | 159 Ų | 159 | 126.2 Ų | 126.2 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | | | trans | -38.8 | 137.8 | -174.7 | -79.7 | -157 | 137.6 | 0 | 0 | 114.4 | D147 | E145-D147 PolarHBondContact O-N 3.18Š|
| 146 | P | 46.9 | Very low | 52.7 | Low | 117 Ų | 117 | 123.7 Ų | 123.7 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 32.3 | 179.8 | 32.3 | -36.3 | 0 | 0 | 0 | 114.6 | | |
| 147 | D | 47.9 | Very low | 52.3 | Low | 141 Ų | 141 | 128.7 Ų | 128.7 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 18 | 177.9 | -91.1 | -23.4 | 0 | 0 | 0 | 114.7 | E145 W149 | E145-D147 PolarHBondContact O-N 3.18Å; D147-W149 VanDerWaalsContact C-N 3.31Å; D147-W149 PolarHBondContact O-N 3.05Å; D147-W149 VanDerWaalsContact O-N 3.15Å |
| 148 | S | 52.3 | Low | 51.7 | Low | 89 Ų | 89 | 128.3 Ų | 128.3 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | | | trans | -89.4 | 59.3 | 173 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | L150 | S148-L150 VanDerWaalsContact C-N 3.31Š|
| 149 | W | 58.2 | Low | 51.2 | Low | 241 Ų | 241 | 127.9 Ų | 127.9 | 91% | 0.913 | 70% | 0.703 | S | S | * | * | | | trans | -88.3 | 2.4 | 172.5 | -72.3 | 64.7 | 0 | 0 | 0 | 113.2 | D147 | D147-W149 VanDerWaalsContact C-N 3.31Å; D147-W149 PolarHBondContact O-N 3.05Å; D147-W149 VanDerWaalsContact O-N 3.15Å |
| 150 | L | 58.9 | Low | 50.7 | Low | 153 Ų | 153 | 127.6 Ų | 127.6 | 80% | 0.801 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -91.1 | 135 | 178.7 | -98.7 | 148 | 0 | 0 | 0 | 111.5 | S148 V152 | S148-L150 VanDerWaalsContact C-N 3.31Å; L150-V152 PolarHBondContact O-N 2.95Å |
| 151 | Y | 61.8 | Low | 50.2 | Low | 174 Ų | 174 | 131.7 Ų | 131.7 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | | | trans | -44.7 | 118.4 | -178.1 | 176.6 | -100.2 | 0 | 0 | 0 | 113.3 | P154 | Y151-P154 WeakPolarHBondContact OH-CD 3.15Š|
| 152 | V | 58 | Low | 50.5 | Low | 104 Ų | 104 | 130.2 Ų | 130.2 | 63% | 0.63 | 72% | 0.718 | S | S | * | * | | | trans | -87.2 | 124.2 | 175.2 | -178.7 | 0 | 0 | 0 | 0 | 109.7 | L150 P154 | L150-V152 PolarHBondContact O-N 2.95Å; V152-P154 WeakPolarHBondContact O-CD 3.43Å |
| 153 | N | 53.5 | Low | 50.9 | Low | 96 Ų | 96 | 131.5 Ų | 131.5 | 51% | 0.513 | 72% | 0.724 | S | S | . | * | | | trans | -66 | 125.2 | 179.6 | -172.1 | -37 | 0 | 0 | 0 | 111 | R155 A156 | N153-R155 PolarHBondContact O-N 3.21Å; N153-R155 WeakPolarHBondContact OD1-CB 3.49Å; N153-R155 PolarHBondContact OD1-N 3.25Å; N153-A156 PolarHBondContact O-N 2.94Å |
| 154 | P | 53.2 | Low | 51.7 | Low | 110 Ų | 110 | 128 Ų | 128 | 71% | 0.714 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -4.6 | 179.2 | -20.5 | 31.1 | 0 | 0 | 0 | 115.6 | Y151 V152 | Y151-P154 WeakPolarHBondContact OH-CD 3.15Å; V152-P154 WeakPolarHBondContact O-CD 3.43Å |
| 155 | R | 38.8 | Very low | 53.3 | Low | 189 Ų | 189 | 127.7 Ų | 127.7 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 6.1 | 176.4 | -70.8 | -168.4 | 170.3 | 164.4 | 1.8 | 114.3 | N153 K157 | N153-R155 PolarHBondContact O-N 3.21Å; N153-R155 WeakPolarHBondContact OD1-CB 3.49Å; N153-R155 PolarHBondContact OD1-N 3.25Å; R155-K157 PolarHBondContact O-N 3.18Å |
| 156 | A | 47 | Very low | 55 | Low | 72 Ų | 72 | 124.9 Ų | 124.9 | 60% | 0.595 | 68% | 0.683 | S | S | * | * | | | trans | -68.6 | 100.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | N153 | N153-A156 PolarHBondContact O-N 2.94Š|
| 157 | K | 49.8 | Very low | 57 | Low | 182 Ų | 182 | 126 Ų | 126 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | | | trans | -54.3 | 146.2 | 162.3 | -68.7 | 176.3 | 179.7 | 175.4 | 0 | 107.7 | R155 | R155-K157 PolarHBondContact O-N 3.18Š|
| 158 | P | 45.6 | Very low | 58.8 | Low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | | | trans | -51.8 | 141.3 | 175 | 24.6 | -34 | 0 | 0 | 0 | 108.5 | S160 | P158-S160 PolarHBondContact O-N 3.45Š|
| 159 | P | 46.1 | Very low | 60.5 | Low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | | | trans | -68.3 | 82.3 | -178.4 | 28.7 | -32.9 | 0 | 0 | 0 | 108.8 | E161 | P159-E161 PolarHBondContact O-N 2.86Š|
| 160 | S | 46.3 | Very low | 61.9 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | | | trans | -76.9 | 112.5 | 162.5 | 55.1 | 0 | 0 | 0 | 0 | 106.7 | P158 | P158-S160 PolarHBondContact O-N 3.45Š|
| 161 | E | 45.7 | Very low | 63.4 | Low | 180 Ų | 180 | 122.5 Ų | 122.5 | 84% | 0.841 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 90.4 | 84.8 | 167.8 | -55.1 | -175.1 | 177.2 | 0 | 0 | 116.5 | P159 | P159-E161 PolarHBondContact O-N 2.86Š|
| 162 | S | 54.1 | Low | 64.6 | Low | 84 Ų | 84 | 118.9 Ų | 118.9 | 59% | 0.587 | 63% | 0.631 | S | S | * | * | | | trans | 58.1 | 97 | 152.6 | 64.1 | 0 | 0 | 0 | 0 | 116.6 | L164 | S162-L164 PolarHBondContact O-N 3.24Š|
| 163 | T | 57 | Low | 65.9 | Low | 142 Ų | 142 | 117 Ų | 117 | 87% | 0.871 | 62% | 0.62 | S | S | * | * | | | trans | -62.4 | 77.1 | 154.3 | -11.8 | 0 | 0 | 0 | 0 | 108.3 | S165 | T163-S165 PolarHBondContact O-N 3.46Š|
| 164 | L | 68.1 | Low | 67.5 | Low | 63 Ų | 63 | 118.9 Ų | 118.9 | 33% | 0.33 | 63% | 0.629 | S | S | . | * | | | trans | -64.9 | 129.3 | 174.5 | -70.1 | 170.1 | 0 | 0 | 0 | 107.4 | S162 R168 | S162-L164 PolarHBondContact O-N 3.24Å; L164-R168 HydrophobicContact CB-CB 4.39Å; L164-R168 HydrophobicContact CD2-CB 4.36Å |
| 165 | S | 82.1 | Confident | 69.2 | Low | 58 Ų | 58 | 118.4 Ų | 118.4 | 41% | 0.406 | 62% | 0.62 | S | S | . | * | | | trans | -47.5 | 138.3 | 167 | 170 | 0 | 0 | 0 | 0 | 109 | T163 L167 R168 W169 | T163-S165 PolarHBondContact O-N 3.46Å; S165-L167 PolarHBondContact O-N 3.2Å; S165-R168 WeakPolarHBondContact O-CA 3.31Å; S165-R168 WeakPolarHBondContact O-CB 3.34Å; S165-R168 PolarHBondContact O-N 3.27Å; S165-W169 PolarHBondContact O-N 2.91Å |
| 166 | P | 83.4 | Confident | 71.4 | Confident | 100 Ų | 100 | 116.1 Ų | 116.1 | 65% | 0.649 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -49.7 | -35.4 | -178.3 | -30.3 | 35.1 | 0 | 0 | 0 | 113.6 | W169 C170 | P166-W169 PolarHBondContact O-N 2.92Å; P166-C170 PolarHBondContact O-N 3.24Å; P166-C170 PolarHBondContact O-SG 2.84Å |
| 167 | L | 88.7 | Confident | 73.3 | Confident | 140 Ų | 140 | 115 Ų | 115 | 73% | 0.733 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.9 | -38.1 | 175.9 | -68.5 | 174 | 0 | 0 | 0 | 113.2 | S165 R171 | S165-L167 PolarHBondContact O-N 3.2Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 PolarHBondContact O-N 3.48Å |
| 168 | R | 85.3 | Confident | 75.1 | Confident | 178 Ų | 178 | 107.9 Ų | 107.9 | 67% | 0.672 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.2 | -37.5 | 175.7 | -72.8 | -172.3 | 175.5 | 154.9 | 0 | 111.4 | L164 S165 R171 Q172 | L164-R168 HydrophobicContact CB-CB 4.39Å; L164-R168 HydrophobicContact CD2-CB 4.36Å; S165-R168 WeakPolarHBondContact O-CA 3.31Å; S165-R168 WeakPolarHBondContact O-CB 3.34Å; S165-R168 PolarHBondContact O-N 3.27Å; R168-R171 PolarHBondContact O-N 3.38Å; R168-Q172 WeakPolarHBondContact O-CB 3.42Å; R168-Q172 PolarHBondContact O-N 3.1Å |
| 169 | W | 88.6 | Confident | 77.3 | Confident | 151 Ų | 151 | 108.2 Ų | 108.2 | 57% | 0.572 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.5 | -48.9 | 172.5 | 179.8 | 87.8 | 0 | 0 | 0 | 111.3 | S165 P166 R171 Q172 V173 | S165-W169 PolarHBondContact O-N 2.91Å; P166-W169 PolarHBondContact O-N 2.92Å; W169-R171 VanDerWaalsContact C-N 3.28Å; W169-R171 PolarHBondContact O-N 2.83Å; W169-Q172 PolarHBondContact O-N 2.98Å; W169-Q172 VanDerWaalsContact O-N 3.15Å; W169-V173 HydrophobicContact CD2-CG2 3.97Å; W169-V173 HydrophobicContact CE3-CG2 4.4Å; W169-V173 HydrophobicContact CG-CG2 4.48Å; W169-V173 HydrophobicContact CH2-CG2 4.21Å; W169-V173 HydrophobicContact CZ2-CG2 3.76Å; W169-V173 WeakPolarHBondContact O-CG2 3.48Å; W169-V173 PolarHBondContact O-N 3.09Å |
| 170 | C | 87.3 | Confident | 79.5 | Confident | 56 Ų | 56 | 110.1 Ų | 110.1 | 38% | 0.378 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.2 | -44.2 | 176.2 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | P166 L174 | P166-C170 PolarHBondContact O-N 3.24Å; P166-C170 PolarHBondContact O-SG 2.84Å; C170-L174 WeakPolarHBondContact O-CB 3.48Å; C170-L174 WeakPolarHBondContact O-CG 3.45Å; C170-L174 PolarHBondContact O-N 3.35Å; C170-L174 VanDerWaalsContact O-N 3.1Å |
| 171 | R | 91.8 | Very high | 81.7 | Confident | 167 Ų | 167 | 109.3 Ų | 109.3 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -44.6 | 177.6 | -169.1 | 74.5 | 83 | -159 | 4.2 | 111.3 | L167 R168 W169 L174 D175 | L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 PolarHBondContact O-N 3.48Å; R168-R171 PolarHBondContact O-N 3.38Å; W169-R171 VanDerWaalsContact C-N 3.28Å; W169-R171 PolarHBondContact O-N 2.83Å; R171-L174 PolarHBondContact O-N 2.97Å; R171-D175 VanDerWaalsContact CD-OD2 3.25Å; R171-D175 WeakPolarHBondContact CD-OD2 3.4Å; R171-D175 WeakPolarHBondContact CG-OD2 3.37Å; R171-D175 VanDerWaalsContact O-CB 3.24Å; R171-D175 WeakPolarHBondContact O-CB 3.41Å; R171-D175 VanDerWaalsContact O-CG 3.29Å; R171-D175 PolarHBondContact O-N 3.27Å |
| 172 | Q | 86 | Confident | 83.9 | Confident | 98 Ų | 98 | 105.9 Ų | 105.9 | 46% | 0.458 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.1 | -44 | 179.1 | -175.5 | 178.1 | 9.1 | 0 | 0 | 112.5 | R168 W169 L174 H176 | R168-Q172 WeakPolarHBondContact O-CB 3.42Å; R168-Q172 PolarHBondContact O-N 3.1Å; W169-Q172 PolarHBondContact O-N 2.98Å; W169-Q172 VanDerWaalsContact O-N 3.15Å; Q172-L174 VanDerWaalsContact C-N 3.32Å; Q172-L174 PolarHBondContact O-N 3.22Å; Q172-H176 WeakPolarHBondContact O-CA 3.46Å; Q172-H176 WeakPolarHBondContact O-CB 3.35Å; Q172-H176 PolarHBondContact O-N 3.37Å |
| 173 | V | 86.4 | Confident | 85.9 | Confident | 64 Ų | 64 | 107.3 Ų | 107.3 | 39% | 0.388 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.6 | -35.1 | 178.8 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | W169 P177 | W169-V173 HydrophobicContact CD2-CG2 3.97Å; W169-V173 HydrophobicContact CE3-CG2 4.4Å; W169-V173 HydrophobicContact CG-CG2 4.48Å; W169-V173 HydrophobicContact CH2-CG2 4.21Å; W169-V173 HydrophobicContact CZ2-CG2 3.76Å; W169-V173 WeakPolarHBondContact O-CG2 3.48Å; W169-V173 PolarHBondContact O-N 3.09Å; V173-P177 WeakPolarHBondContact O-CA 3.33Å |
| 174 | L | 85.5 | Confident | 87.7 | Confident | 135 Ų | 135 | 103.4 Ų | 103.4 | 71% | 0.707 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -80.2 | -38.9 | 179.4 | -69 | 173.9 | 0 | 0 | 0 | 113.2 | C170 R171 Q172 | C170-L174 WeakPolarHBondContact O-CB 3.48Å; C170-L174 WeakPolarHBondContact O-CG 3.45Å; C170-L174 PolarHBondContact O-N 3.35Å; C170-L174 VanDerWaalsContact O-N 3.1Å; R171-L174 PolarHBondContact O-N 2.97Å; Q172-L174 VanDerWaalsContact C-N 3.32Å; Q172-L174 PolarHBondContact O-N 3.22Å |
| 175 | D | 89.1 | Confident | 89 | Confident | 100 Ų | 100 | 107.3 Ų | 107.3 | 54% | 0.535 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -80.1 | -28.9 | -178.8 | -69.5 | -19.3 | 0 | 0 | 0 | 111.9 | R171 | R171-D175 VanDerWaalsContact CD-OD2 3.25Å; R171-D175 WeakPolarHBondContact CD-OD2 3.4Å; R171-D175 WeakPolarHBondContact CG-OD2 3.37Å; R171-D175 VanDerWaalsContact O-CB 3.24Å; R171-D175 WeakPolarHBondContact O-CB 3.41Å; R171-D175 VanDerWaalsContact O-CG 3.29Å; R171-D175 PolarHBondContact O-N 3.27Å |
| 176 | H | 85.3 | Confident | 89.6 | Confident | 141 Ų | 141 | 110.3 Ų | 110.3 | 65% | 0.653 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -126.5 | 74.6 | 177.2 | -57 | -61.3 | 0 | 0 | 0 | 110 | Q172 G178 | Q172-H176 WeakPolarHBondContact O-CA 3.46Å; Q172-H176 WeakPolarHBondContact O-CB 3.35Å; Q172-H176 PolarHBondContact O-N 3.37Å; H176-G178 PolarHBondContact O-N 2.89Å |
| 177 | P | 86.7 | Confident | 90.2 | Very high | 50 Ų | 50 | 108.9 Ų | 108.9 | 33% | 0.325 | 55% | 0.553 | S | S | . | * | | | trans | -59 | 134.4 | 178 | 26 | -34 | 0 | 0 | 0 | 110.1 | V173 V181 E182 | V173-P177 WeakPolarHBondContact O-CA 3.33Å; P177-V181 HydrophobicContact CB-CB 4.12Å; P177-V181 HydrophobicContact CB-CG1 3.98Å; P177-E182 HydrophobicContact CB-CG 4.26Å; P177-E182 HydrophobicContact CG-CG 4.07Å |
| 178 | G | 89.2 | Confident | 90.6 | Very high | 32 Ų | 32 | 106.8 Ų | 106.8 | 33% | 0.33 | 54% | 0.543 | S | S | . | . | | | trans | -63.8 | 161.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | H176 E180 V181 E182 | H176-G178 PolarHBondContact O-N 2.89Å; G178-E180 PolarHBondContact O-N 2.88Å; G178-E180 VanDerWaalsContact O-N 3.1Å; G178-V181 PolarHBondContact O-N 3.46Å; G178-E182 PolarHBondContact O-N 2.98Å; G178-E182 VanDerWaalsContact O-N 3.08Å |
| 179 | P | 90.8 | Very high | 91 | Very high | 114 Ų | 114 | 100.9 Ų | 100.9 | 74% | 0.74 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.8 | -29.7 | -178.4 | 23.3 | -34.1 | 0 | 0 | 0 | 113 | L183 | P179-L183 WeakPolarHBondContact O-CB 3.3Å; P179-L183 PolarHBondContact O-N 2.97Å |
| 180 | E | 91.6 | Very high | 91.3 | Very high | 159 Ų | 159 | 98.5 Ų | 98.5 | 74% | 0.743 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 174.2 | -174.7 | -175.3 | 175.9 | 0 | 0 | 112.4 | G178 E182 L183 A184 | G178-E180 PolarHBondContact O-N 2.88Å; G178-E180 VanDerWaalsContact O-N 3.1Å; E180-E182 VanDerWaalsContact C-N 3.32Å; E180-E182 PolarHBondContact O-N 3.46Å; E180-L183 PolarHBondContact O-N 3.36Å; E180-A184 WeakPolarHBondContact O-CB 3.29Å; E180-A184 PolarHBondContact O-N 3.46Å |
| 181 | V | 92.5 | Very high | 91.7 | Very high | 84 Ų | 84 | 103.7 Ų | 103.7 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | P177 G178 A184 K185 | P177-V181 HydrophobicContact CB-CB 4.12Å; P177-V181 HydrophobicContact CB-CG1 3.98Å; G178-V181 PolarHBondContact O-N 3.46Å; V181-A184 PolarHBondContact O-N 3.06Å; V181-K185 WeakPolarHBondContact O-CB 3.26Å; V181-K185 PolarHBondContact O-N 3.48Å |
| 182 | E | 93.1 | Very high | 91.9 | Very high | 107 Ų | 107 | 100 Ų | 100 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 173.8 | -66.1 | -168.6 | 152.3 | 0 | 0 | 112.1 | P177 G178 E180 K185 M186 | P177-E182 HydrophobicContact CB-CG 4.26Å; P177-E182 HydrophobicContact CG-CG 4.07Å; G178-E182 PolarHBondContact O-N 2.98Å; G178-E182 VanDerWaalsContact O-N 3.08Å; E180-E182 VanDerWaalsContact C-N 3.32Å; E180-E182 PolarHBondContact O-N 3.46Å; E182-K185 PolarHBondContact O-N 3.47Å; E182-M186 WeakPolarHBondContact O-CB 3.38Å; E182-M186 WeakPolarHBondContact O-CG 3.4Å; E182-M186 PolarHBondContact O-N 2.84Å |
| 183 | L | 95.3 | Very high | 92.2 | Very high | 115 Ų | 115 | 98.8 Ų | 98.8 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 176.1 | -176.7 | 65.1 | 0 | 0 | 0 | 111.9 | P179 E180 M186 T187 | P179-L183 WeakPolarHBondContact O-CB 3.3Å; P179-L183 PolarHBondContact O-N 2.97Å; E180-L183 PolarHBondContact O-N 3.36Å; L183-M186 PolarHBondContact O-N 2.86Å; L183-T187 WeakPolarHBondContact O-CB 3.49Å; L183-T187 PolarHBondContact O-N 3.19Å; L183-T187 PolarHBondContact O-OG1 2.91Å |
| 184 | A | 95.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 99.5 Ų | 99.5 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E180 V181 T187 L188 | E180-A184 WeakPolarHBondContact O-CB 3.29Å; E180-A184 PolarHBondContact O-N 3.46Å; V181-A184 PolarHBondContact O-N 3.06Å; A184-T187 PolarHBondContact O-N 3.22Å; A184-L188 WeakPolarHBondContact O-CB 3.32Å; A184-L188 PolarHBondContact O-N 2.92Å |
| 185 | K | 94.8 | Very high | 92.5 | Very high | 145 Ų | 145 | 95 Ų | 95 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59 | -48.3 | 173.8 | 178 | -173.9 | 171.3 | -173.1 | 0 | 111.3 | V181 E182 T187 L188 C189 | V181-K185 WeakPolarHBondContact O-CB 3.26Å; V181-K185 PolarHBondContact O-N 3.48Å; E182-K185 PolarHBondContact O-N 3.47Å; K185-T187 VanDerWaalsContact C-N 3.32Å; K185-T187 PolarHBondContact O-N 2.96Å; K185-L188 PolarHBondContact O-N 3.44Å; K185-C189 PolarHBondContact O-N 2.99Å; K185-C189 PolarHBondContact O-SG 2.79Å; K185-C189 VanDerWaalsContact O-SG 3.37Å |
| 186 | M | 95.6 | Very high | 92.2 | Very high | 121 Ų | 121 | 96.2 Ų | 96.2 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60 | -43.2 | 177.7 | -78.7 | -55.1 | -44.6 | 0 | 0 | 112.2 | E182 L183 C189 H190 | E182-M186 WeakPolarHBondContact O-CB 3.38Å; E182-M186 WeakPolarHBondContact O-CG 3.4Å; E182-M186 PolarHBondContact O-N 2.84Å; L183-M186 PolarHBondContact O-N 2.86Å; M186-C189 PolarHBondContact O-N 3.46Å; M186-H190 WeakPolarHBondContact O-CB 3.41Å; M186-H190 PolarHBondContact O-N 3.21Å |
| 187 | T | 96.6 | Very high | 92 | Very high | 70 Ų | 70 | 97 Ų | 97 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | L183 A184 K185 H190 R191 | L183-T187 WeakPolarHBondContact O-CB 3.49Å; L183-T187 PolarHBondContact O-N 3.19Å; L183-T187 PolarHBondContact O-OG1 2.91Å; A184-T187 PolarHBondContact O-N 3.22Å; K185-T187 VanDerWaalsContact C-N 3.32Å; K185-T187 PolarHBondContact O-N 2.96Å; T187-H190 PolarHBondContact O-N 3.09Å; T187-R191 WeakPolarHBondContact O-CG 3.35Å; T187-R191 PolarHBondContact O-N 3.43Å |
| 188 | L | 95.6 | Very high | 90.8 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 175.5 | -180 | 64.9 | 0 | 0 | 0 | 111.6 | A184 K185 H190 R191 L192 | A184-L188 WeakPolarHBondContact O-CB 3.32Å; A184-L188 PolarHBondContact O-N 2.92Å; K185-L188 PolarHBondContact O-N 3.44Å; L188-H190 VanDerWaalsContact C-N 3.3Å; L188-H190 PolarHBondContact O-N 2.92Å; L188-R191 PolarHBondContact O-N 3.34Å; L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.26Å; L188-L192 WeakPolarHBondContact O-CG 3.35Å; L188-L192 PolarHBondContact O-N 3.46Å |
| 189 | C | 95 | Very high | 89.5 | Confident | 54 Ų | 54 | 111.7 Ų | 111.7 | 37% | 0.365 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.2 | -45.6 | 175 | -72.1 | 0 | 0 | 0 | 0 | 111.1 | K185 M186 R191 L192 D193 | K185-C189 PolarHBondContact O-N 2.99Å; K185-C189 PolarHBondContact O-SG 2.79Å; K185-C189 VanDerWaalsContact O-SG 3.37Å; M186-C189 PolarHBondContact O-N 3.46Å; C189-R191 PolarHBondContact O-N 3.36Å; C189-L192 PolarHBondContact O-N 3.08Å; C189-D193 PolarHBondContact O-N 2.8Å |
| 190 | H | 95.3 | Very high | 87.9 | Confident | 100 Ų | 100 | 109.5 Ų | 109.5 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 177 | -174.1 | 78.4 | 0 | 0 | 0 | 112.2 | M186 T187 L188 L192 D193 Q194 | M186-H190 WeakPolarHBondContact O-CB 3.41Å; M186-H190 PolarHBondContact O-N 3.21Å; T187-H190 PolarHBondContact O-N 3.09Å; L188-H190 VanDerWaalsContact C-N 3.3Å; L188-H190 PolarHBondContact O-N 2.92Å; H190-L192 PolarHBondContact O-N 3.28Å; H190-D193 PolarHBondContact O-N 2.91Å; H190-Q194 PolarHBondContact CD2-NE2 2.81Å; H190-Q194 PolarHBondContact NE2-NE2 3.23Å; H190-Q194 WeakPolarHBondContact O-CG 3.48Å; H190-Q194 PolarHBondContact O-N 2.89Å |
| 191 | R | 94.9 | Very high | 86.2 | Confident | 166 Ų | 166 | 108.6 Ų | 108.6 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 176.5 | -72.6 | -177.4 | 69 | -149 | -0.5 | 112.4 | T187 L188 C189 Q194 A195 | T187-R191 WeakPolarHBondContact O-CG 3.35Å; T187-R191 PolarHBondContact O-N 3.43Å; L188-R191 PolarHBondContact O-N 3.34Å; C189-R191 PolarHBondContact O-N 3.36Å; R191-Q194 WeakPolarHBondContact O-CB 3.35Å; R191-Q194 PolarHBondContact O-N 3.35Å; R191-A195 WeakPolarHBondContact O-CB 3.28Å; R191-A195 PolarHBondContact O-N 3.47Å |
| 192 | L | 95.4 | Very high | 84.2 | Confident | 88 Ų | 88 | 109.6 Ų | 109.6 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.6 | -39.5 | 175.8 | -73.7 | 175.3 | 0 | 0 | 0 | 111.6 | L188 C189 H190 A195 K196 | L188-L192 HydrophobicContact CD1-CG 4.46Å; L188-L192 HydrophobicContact CG-CD1 4.26Å; L188-L192 WeakPolarHBondContact O-CG 3.35Å; L188-L192 PolarHBondContact O-N 3.46Å; C189-L192 PolarHBondContact O-N 3.08Å; H190-L192 PolarHBondContact O-N 3.28Å; L192-A195 CarbonylContact O-C 3.58Å; L192-A195 PolarHBondContact O-N 3Å; L192-K196 VanDerWaalsContact O-CG 3.3Å; L192-K196 WeakPolarHBondContact O-CG 3.41Å; L192-K196 PolarHBondContact O-N 2.85Å |
| 193 | D | 92.9 | Very high | 82.1 | Confident | 73 Ų | 73 | 109.9 Ų | 109.9 | 39% | 0.39 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -71.8 | -33.2 | 177 | -71.3 | -19.1 | 0 | 0 | 0 | 112.3 | C189 H190 K196 R197 | C189-D193 PolarHBondContact O-N 2.8Å; H190-D193 PolarHBondContact O-N 2.91Å; D193-K196 IonicContact OD1-NZ 2.66Å; D193-K196 PolarHBondContact OD1-NZ 2.83Å; D193-R197 WeakPolarHBondContact O-CG 3.48Å; D193-R197 PolarHBondContact O-N 3.34Å; D193-R197 VanDerWaalsContact O-N 3.11Å |
| 194 | Q | 91.4 | Very high | 79.9 | Confident | 79 Ų | 79 | 110.7 Ų | 110.7 | 37% | 0.369 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -57.6 | -53.8 | 164.1 | -71.4 | -172.1 | 3.7 | 0 | 0 | 110.1 | H190 R191 K196 R197 W198 | H190-Q194 PolarHBondContact CD2-NE2 2.81Å; H190-Q194 PolarHBondContact NE2-NE2 3.23Å; H190-Q194 WeakPolarHBondContact O-CG 3.48Å; H190-Q194 PolarHBondContact O-N 2.89Å; R191-Q194 WeakPolarHBondContact O-CB 3.35Å; R191-Q194 PolarHBondContact O-N 3.35Å; Q194-K196 VanDerWaalsContact C-N 3.32Å; Q194-K196 PolarHBondContact O-N 3.43Å; Q194-R197 WeakPolarHBondContact O-CA 3.31Å; Q194-R197 WeakPolarHBondContact O-CB 3.36Å; Q194-R197 PolarHBondContact O-N 3.33Å; Q194-W198 VanDerWaalsContact C-CD1 3.46Å; Q194-W198 PolarHBondContact O-N 3.05Å |
| 195 | A | 86.8 | Confident | 77.5 | Confident | 42 Ų | 42 | 117.1 Ų | 117.1 | 35% | 0.347 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.2 | -36.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R191 L192 W198 R199 | R191-A195 WeakPolarHBondContact O-CB 3.28Å; R191-A195 PolarHBondContact O-N 3.47Å; L192-A195 CarbonylContact O-C 3.58Å; L192-A195 PolarHBondContact O-N 3Å; A195-W198 PolarHBondContact O-N 3.22Å; A195-R199 PolarHBondContact O-N 3.04Å |
| 196 | K | 82.4 | Confident | 75.1 | Confident | 124 Ų | 124 | 116.3 Ų | 116.3 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.4 | -40.1 | 172.9 | -73.7 | 173.8 | -164.6 | 159.4 | 0 | 111.6 | L192 D193 Q194 R199 G200 | L192-K196 VanDerWaalsContact O-CG 3.3Å; L192-K196 WeakPolarHBondContact O-CG 3.41Å; L192-K196 PolarHBondContact O-N 2.85Å; D193-K196 IonicContact OD1-NZ 2.66Å; D193-K196 PolarHBondContact OD1-NZ 2.83Å; Q194-K196 VanDerWaalsContact C-N 3.32Å; Q194-K196 PolarHBondContact O-N 3.43Å; K196-R199 PolarHBondContact O-N 3.39Å; K196-G200 PolarHBondContact O-N 3.48Å; K196-G200 VanDerWaalsContact O-N 3.16Å |
| 197 | R | 81.3 | Confident | 72.4 | Confident | 158 Ų | 158 | 118.8 Ų | 118.8 | 60% | 0.596 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.8 | -37.5 | 173.6 | -72.6 | -174.9 | -71.9 | -153.4 | 0.9 | 112.1 | D193 Q194 R199 G200 | D193-R197 WeakPolarHBondContact O-CG 3.48Å; D193-R197 PolarHBondContact O-N 3.34Å; D193-R197 VanDerWaalsContact O-N 3.11Å; Q194-R197 WeakPolarHBondContact O-CA 3.31Å; Q194-R197 WeakPolarHBondContact O-CB 3.36Å; Q194-R197 PolarHBondContact O-N 3.33Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R197-R199 PolarHBondContact O-N 2.75Å; R197-G200 PolarHBondContact O-N 3.1Å; R197-G200 VanDerWaalsContact O-N 3.13Å |
| 198 | W | 61.3 | Low | 69.7 | Low | 190 Ų | 190 | 120.2 Ų | 120.2 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.9 | -33.4 | 172.8 | -67.6 | 105.9 | 0 | 0 | 0 | 112.7 | Q194 A195 G200 | Q194-W198 VanDerWaalsContact C-CD1 3.46Å; Q194-W198 PolarHBondContact O-N 3.05Å; A195-W198 PolarHBondContact O-N 3.22Å; W198-G200 VanDerWaalsContact C-N 3.32Å |
| 199 | R | 61.5 | Low | 66.7 | Low | 201 Ų | 201 | 121.8 Ų | 121.8 | 76% | 0.758 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.6 | -16.9 | 171.5 | -84.8 | -145.1 | -67.7 | -93.2 | 3.7 | 114.8 | A195 K196 R197 | A195-R199 PolarHBondContact O-N 3.04Å; K196-R199 PolarHBondContact O-N 3.39Å; R197-R199 VanDerWaalsContact C-N 3.32Å; R197-R199 PolarHBondContact O-N 2.75Å |
| 200 | G | 58.3 | Low | 64 | Low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -82 | -15.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K196 R197 W198 | K196-G200 PolarHBondContact O-N 3.48Å; K196-G200 VanDerWaalsContact O-N 3.16Å; R197-G200 PolarHBondContact O-N 3.1Å; R197-G200 VanDerWaalsContact O-N 3.13Å; W198-G200 VanDerWaalsContact C-N 3.32Å |
| 201 | L | 55.8 | Low | 61.6 | Low | 141 Ų | 141 | 130.8 Ų | 130.8 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -106.4 | -3.5 | -177.3 | -68.5 | 159.9 | 0 | 0 | 0 | 113.1 | S203 | L201-S203 PolarHBondContact O-N 3.15Š|
| 202 | S | 50.3 | Low | 59.4 | Low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | | | trans | -101.8 | 56.5 | 177.4 | -156.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 203 | S | 49.3 | Very low | 56.7 | Low | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 69% | 0.692 | S | S | * | * | | | trans | -136.9 | 48.9 | 157.8 | -173.5 | 0 | 0 | 0 | 0 | 109.6 | L201 | L201-S203 PolarHBondContact O-N 3.15Š|
| 204 | V | 48.1 | Very low | 53.9 | Low | 132 Ų | 132 | 132.6 Ų | 132.6 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | | | trans | -120.4 | 85.2 | 159.6 | -176.2 | 0 | 0 | 0 | 0 | 106.1 | | |
| 205 | R | 44.2 | Very low | 51.5 | Low | 194 Ų | 194 | 134.9 Ų | 134.9 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | | | trans | -70.7 | 129.7 | 165 | -153 | 178.9 | -169.7 | -175 | 2.7 | 106.4 | Y207 | R205-Y207 VanDerWaalsContact C-N 3.29Å; R205-Y207 HydrophobicContact CG-CD2 4Å; R205-Y207 HydrophobicContact CG-CE2 4.16Å; R205-Y207 PolarHBondContact O-N 3.13Å |
| 206 | P | 44.5 | Very low | 49.6 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | trans | -79.7 | 84.1 | 176.1 | 32.2 | -29.9 | 0 | 0 | 0 | 107.9 | | |
| 207 | Y | 39.6 | Very low | 47.2 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | trans | -97.3 | 116.1 | 157.3 | -90.5 | -87.5 | 0 | 0 | 0 | 107.4 | R205 C209 | R205-Y207 VanDerWaalsContact C-N 3.29Å; R205-Y207 HydrophobicContact CG-CD2 4Å; R205-Y207 HydrophobicContact CG-CE2 4.16Å; R205-Y207 PolarHBondContact O-N 3.13Å; Y207-C209 PolarHBondContact O-N 2.98Å |
| 208 | S | 39.2 | Very low | 44.9 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | | | trans | -41.6 | 119.4 | 160.7 | 49 | 0 | 0 | 0 | 0 | 110 | I210 | S208-I210 PolarHBondContact O-N 3.28Å; S208-I210 VanDerWaalsContact O-N 3.09Å |
| 209 | C | 32.4 | Very low | 43.8 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | | | trans | -68.1 | 104.2 | 164 | 40.4 | 0 | 0 | 0 | 0 | 107.4 | Y207 | Y207-C209 PolarHBondContact O-N 2.98Š|
| 210 | I | 39.2 | Very low | 42.8 | Very low | 150 Ų | 150 | 133 Ų | 133 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -75.4 | 125.5 | 154.7 | -63.3 | 176.1 | 0 | 0 | 0 | 105.2 | S208 | S208-I210 PolarHBondContact O-N 3.28Å; S208-I210 VanDerWaalsContact O-N 3.09Å |
| 211 | E | 45.4 | Very low | 42 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -62.1 | 128.7 | 178.7 | -167.9 | 149.9 | -173.6 | 0 | 0 | 110.7 | | |
| 212 | G | 48.1 | Very low | 41.2 | Very low | 63 Ų | 63 | 136 Ų | 136 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 114 | 118 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 213 | L | 38.8 | Very low | 40.2 | Very low | 179 Ų | 179 | 140 Ų | 140 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | | | trans | 92 | 71.4 | 173.9 | -46.8 | 179.3 | 0 | 0 | 0 | 115.9 | | |
| 214 | S | 34 | Very low | 39.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | -93.8 | 112.5 | 151.8 | -76 | 0 | 0 | 0 | 0 | 109.7 | | |
| 215 | T | 41.8 | Very low | 39 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -139.9 | 115.8 | 155.4 | 46.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 216 | L | 46 | Very low | 38.7 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | trans | 78.5 | 95.3 | 156.6 | -52.5 | 170 | 0 | 0 | 0 | 118 | | |
| 217 | S | 31.7 | Very low | 37.9 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | | 178.3 | 116.8 | 122.5 | 39.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 218 | C | 33.6 | Very low | 37.5 | Very low | 128 Ų | 128 | 131 Ų | 131 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 139.2 | 172.2 | -56.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 219 | P | 38.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 128 | 151.4 | 31.9 | -22.1 | 0 | 0 | 0 | 109.6 | | |
| 220 | V | 40.5 | Very low | 37.3 | Very low | 145 Ų | 145 | 134.8 Ų | 134.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 128.7 | 172.3 | 171.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 221 | L | 40.2 | Very low | 36.9 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | | | trans | -122.9 | 150.3 | 165.2 | -105.3 | 138.9 | 0 | 0 | 0 | 109.7 | | |
| 222 | P | 39.4 | Very low | 36.4 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | | | trans | -82.3 | 131 | -166.2 | 31.9 | -26.4 | 0 | 0 | 0 | 111.3 | A224 | P222-A224 PolarHBondContact O-N 3.46Š|
| 223 | Y | 29.3 | Very low | 36.3 | Very low | 190 Ų | 190 | 134.4 Ų | 134.4 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | trans | -70.2 | 117.1 | 177.7 | -178.6 | -98.3 | 0 | 0 | 0 | 111.1 | K225 | Y223-K225 HydrophobicContact CD1-CB 4.44Å; Y223-K225 HydrophobicContact CE1-CB 3.74Å; Y223-K225 HydrophobicContact CE1-CD 4.18Å; Y223-K225 HydrophobicContact CE1-CG 3.87Å |
| 224 | A | 34.6 | Very low | 35.8 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -106.8 | 121 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | P222 | P222-A224 PolarHBondContact O-N 3.46Š|
| 225 | K | 36.5 | Very low | 35.6 | Very low | 164 Ų | 164 | 130 Ų | 130 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | trans | -77.9 | 139.8 | -176.6 | -158.1 | 171.6 | -171.5 | 172.9 | 0 | 110.9 | Y223 | Y223-K225 HydrophobicContact CD1-CB 4.44Å; Y223-K225 HydrophobicContact CE1-CB 3.74Å; Y223-K225 HydrophobicContact CE1-CD 4.18Å; Y223-K225 HydrophobicContact CE1-CG 3.87Å |
| 226 | P | 37.9 | Very low | 35.1 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | | -140 | 164.2 | 114 | 39 | -25.2 | 0 | 0 | 0 | 109.5 | | |
| 227 | A | 29.3 | Very low | 35 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | cis | -161.6 | 173.1 | 11.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 228 | A | 30.9 | Very low | 34.9 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | trans | 73.1 | 109.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 229 | L | 33.3 | Very low | 34.7 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | | | | 31.1 | 120.5 | 125.9 | -62.2 | 169 | 0 | 0 | 0 | 119.2 | | |
| 230 | T | 34.5 | Very low | 34.4 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | | -178.1 | 144.8 | 108.3 | -58 | 0 | 0 | 0 | 0 | 109.7 | | |
| 231 | E | 31.1 | Very low | 34.2 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | -47.1 | 135.6 | -179.1 | -75.8 | -169.6 | 108.5 | 0 | 0 | 117.3 | | |
| 232 | T | 34.7 | Very low | 34.5 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | | 81.5 | 146.5 | 86.3 | -30.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 233 | P | 45.1 | Very low | 34.1 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | | -133.4 | 169.5 | -52.2 | 42.4 | -28.3 | 0 | 0 | 0 | 115.5 | | |
| 234 | A | 28.4 | Very low | 34.2 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | 60.2 | 119.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 235 | S | 30 | Very low | 34.2 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | | 177.7 | 138 | 103.5 | -73 | 0 | 0 | 0 | 0 | 112.5 | | |
| 236 | V | 31.1 | Very low | 34.3 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | | | trans | -72.1 | -176.4 | 170.3 | -82 | 0 | 0 | 0 | 0 | 112.2 | | |
| 237 | P | 45.1 | Very low | 34 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | -137 | -176.4 | -25.4 | 26.3 | -3.3 | 0 | 0 | 0 | 114.2 | | |
| 238 | S | 28.9 | Very low | 34.8 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | 71.2 | 142.2 | 147.6 | -139.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 239 | S | 29.8 | Very low | 35 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | | 174.8 | 140.7 | 52.6 | -162.8 | 0 | 0 | 0 | 0 | 109 | | |
| 240 | V | 31.1 | Very low | 35.2 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | 76 | 120.4 | 137.3 | 176 | 0 | 0 | 0 | 0 | 120 | | |
| 241 | Q | 36.6 | Very low | 35.2 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -64.8 | -164.2 | 158.7 | -67.8 | -149.3 | -20.9 | 0 | 0 | 110.7 | | |
| 242 | P | 46.8 | Very low | 35.1 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | cis | -152.6 | -175.6 | 9.8 | 44.3 | -21.1 | 0 | 0 | 0 | 118.4 | | |
| 243 | V | 30.9 | Very low | 34.8 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | 72.9 | 126.1 | 140.2 | 166.8 | 0 | 0 | 0 | 0 | 119 | | |
| 244 | V | 31.4 | Very low | 33.9 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | | | | 172.8 | 118.2 | 115.8 | 166 | 0 | 0 | 0 | 0 | 108.4 | | |
| 245 | Q | 35.2 | Very low | 33.8 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -84.6 | 156.6 | 153.3 | -64.4 | -174 | 1 | 0 | 0 | 108.5 | | |
| 246 | P | 37.8 | Very low | 33.8 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | | -150.6 | 157.7 | 91.2 | 31.4 | -9.9 | 0 | 0 | 0 | 116 | | |
| 247 | A | 33.2 | Very low | 33.9 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -78.1 | -170.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 248 | P | 45.2 | Very low | 33.2 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | cis | -136.9 | 176.9 | -9.1 | 35.1 | -12.9 | 0 | 0 | 0 | 116.4 | | |
| 249 | R | 35.2 | Very low | 33.6 | Very low | 239 Ų | 239 | 139.8 Ų | 139.8 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | 5.1 | 149.9 | 159.5 | -62.4 | 179.6 | 178.3 | 158 | -1 | 122.2 | | |
| 250 | P | 37.8 | Very low | 33.7 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | | -140.6 | 168.8 | 108 | 35.6 | -20 | 0 | 0 | 0 | 116.2 | | |
| 251 | R | 34.9 | Very low | 34.1 | Very low | 247 Ų | 247 | 138.5 Ų | 138.5 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | | | trans | -87.8 | 162 | -173 | -52.8 | -177.5 | -168.4 | 157.4 | 0.3 | 114.2 | | |
| 252 | A | 27.3 | Very low | 33.9 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | 176.1 | 152.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 253 | S | 29.5 | Very low | 33.1 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | cis | -179 | 150.4 | -30.9 | 45.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 254 | C | 26 | Very low | 33.2 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | 55 | 148.2 | 156.3 | 41.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 255 | S | 27 | Very low | 33 | Very low | 106 Ų | 106 | 141.7 Ų | 141.7 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | | | cis | -176.5 | 172.7 | -12 | 59.3 | 0 | 0 | 0 | 0 | 109 | | |
| 256 | V | 29.9 | Very low | 32.7 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | | | trans | 100 | 98.1 | 157.6 | 171.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 257 | N | 31.5 | Very low | 32.3 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | 25.4 | 123.4 | 131.3 | -50.7 | -8.9 | 0 | 0 | 0 | 119.3 | | |
| 258 | D | 31.5 | Very low | 32.1 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | | -171.9 | 128 | 103.6 | -132.8 | -17.4 | 0 | 0 | 0 | 112.8 | | |
| 259 | R | 36.3 | Very low | 31.4 | Very low | 231 Ų | 231 | 143.4 Ų | 143.4 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | | | trans | 32.8 | 103.2 | 142.8 | -151.9 | 170.5 | -167.5 | 109.4 | -0.1 | 120.2 | | |
| 260 | A | 33.2 | Very low | 31.3 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | -90.9 | 138.3 | 159 | 0 | 0 | 0 | 0 | 0 | 111 | T262 | A260-T262 PolarHBondContact O-N 2.97Š|
| 261 | P | 38.5 | Very low | 30.9 | Very low | 112 Ų | 112 | 141 Ų | 141 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -89 | 103 | 169.4 | 32.9 | -26.2 | 0 | 0 | 0 | 109.9 | F263 | P261-F263 HydrophobicContact CB-CD2 4.37Å; P261-F263 HydrophobicContact CB-CE2 4.22Å |
| 262 | T | 33.3 | Very low | 30.8 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -76.2 | 111.4 | 155.8 | 28.2 | 0 | 0 | 0 | 0 | 108.8 | A260 | A260-T262 PolarHBondContact O-N 2.97Š|
| 263 | F | 30.1 | Very low | 31 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -98.4 | 88.7 | 158.1 | -78.5 | -80.2 | 0 | 0 | 0 | 108.5 | P261 | P261-F263 HydrophobicContact CB-CD2 4.37Å; P261-F263 HydrophobicContact CB-CE2 4.22Å |
| 264 | L | 32.2 | Very low | 30.9 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -102.9 | 119.9 | 146.5 | -73.8 | 174.4 | 0 | 0 | 0 | 106 | | |
| 265 | S | 27 | Very low | 31.3 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -149.3 | 101.1 | 158.3 | -71.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 266 | N | 29.8 | Very low | 31.7 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | -48.3 | 128.6 | 139.7 | -93.2 | -15.5 | 0 | 0 | 0 | 108.3 | | |
| 267 | S | 29.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -134.9 | 106.3 | 152 | -84.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 268 | A | 28.3 | Very low | 32 | Very low | 93 Ų | 93 | 143 Ų | 143 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -57.6 | 134.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 269 | L | 31.5 | Very low | 32.2 | Very low | 165 Ų | 165 | 143.3 Ų | 143.3 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -101.3 | 112.5 | 162.7 | -104.3 | 158.9 | 0 | 0 | 0 | 108.2 | | |
| 270 | H | 31.7 | Very low | 31.9 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | | | trans | -8.3 | 117.2 | 155.3 | -60.6 | -94 | 0 | 0 | 0 | 116.1 | | |
| 271 | N | 30 | Very low | 32 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | | | trans | -127.3 | 97.7 | 139.9 | -151.6 | -18.6 | 0 | 0 | 0 | 107.5 | G273 | N271-G273 PolarHBondContact O-N 3.46Š|
| 272 | V | 32.3 | Very low | 31.8 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | | | trans | -82 | 113.8 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 273 | G | 31.8 | Very low | 32.3 | Very low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | trans | 89.9 | 94.8 | 136.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | N271 | N271-G273 PolarHBondContact O-N 3.46Š|
| 274 | R | 28.3 | Very low | 32.8 | Very low | 218 Ų | 218 | 137.7 Ų | 137.7 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | | | | -157.4 | 118.3 | 117.1 | -142 | 168.4 | -171.1 | -91.6 | -3.1 | 110.5 | H276 | R274-H276 PolarHBondContact NH1-CD2 3.22Å; R274-H276 VanDerWaalsContact NH1-CD2 3.33Å; R274-H276 PolarHBondContact NH1-NE2 3.45Å |
| 275 | R | 34.9 | Very low | 33.4 | Very low | 233 Ų | 233 | 138.3 Ų | 138.3 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -85.8 | 119.6 | 174.5 | -36.4 | 178.7 | -160.3 | 164.2 | 3.9 | 107.3 | | |
| 276 | H | 33.6 | Very low | 34.1 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 68% | 0.676 | 79% | 0.794 | S | S | * | * | | | trans | -157.9 | 98 | 146.7 | -70.9 | -67.4 | 0 | 0 | 0 | 104.7 | R274 | R274-H276 PolarHBondContact NH1-CD2 3.22Å; R274-H276 VanDerWaalsContact NH1-CD2 3.33Å; R274-H276 PolarHBondContact NH1-NE2 3.45Å |
| 277 | A | 30.8 | Very low | 34.9 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | | 62.2 | 119.6 | 88.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I279 | A277-I279 PolarHBondContact O-N 3.34Š|
| 278 | A | 37.8 | Very low | 35.6 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | | | trans | -48.4 | 124.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 279 | I | 36 | Very low | 36.6 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -122.1 | 102.8 | 171.1 | 51.2 | 168.4 | 0 | 0 | 0 | 109.8 | A277 | A277-I279 PolarHBondContact O-N 3.34Š|
| 280 | T | 30 | Very low | 37 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -47.1 | 132.8 | 152 | -54.8 | 0 | 0 | 0 | 0 | 110.1 | Q282 | T280-Q282 HydrophobicContact CG2-CG 4.26Å; T280-Q282 PolarHBondContact O-N 2.93Å; T280-Q282 VanDerWaalsContact O-N 3.15Å |
| 281 | P | 35 | Very low | 37.4 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -82.4 | 97 | 168.9 | 31.6 | -27 | 0 | 0 | 0 | 108.3 | | |
| 282 | Q | 35.2 | Very low | 37.9 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | -91.4 | 128.3 | 157.1 | -78.9 | -87.2 | -77.1 | 0 | 0 | 107.6 | T280 | T280-Q282 HydrophobicContact CG2-CG 4.26Å; T280-Q282 PolarHBondContact O-N 2.93Å; T280-Q282 VanDerWaalsContact O-N 3.15Å |
| 283 | S | 42.3 | Very low | 38.4 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -50.8 | 132.4 | 171.4 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 284 | S | 40.8 | Very low | 39.5 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -162.6 | 123.1 | 143.5 | 54 | 0 | 0 | 0 | 0 | 110.5 | | |
| 285 | L | 45.7 | Very low | 40.3 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | | | trans | -58.3 | 143 | 163.5 | -59.5 | 156 | 0 | 0 | 0 | 109.4 | | |
| 286 | D | 40.3 | Very low | 41 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | 163.3 | 130.5 | 130.4 | -169.6 | 32 | 0 | 0 | 0 | 113 | | |
| 287 | S | 46.3 | Very low | 41.7 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | 70.3 | 89.2 | 152.2 | -69.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 288 | D | 45.6 | Very low | 42.8 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | | 43.1 | 130.8 | 112.8 | -58.8 | -35.7 | 0 | 0 | 0 | 123.6 | | |
| 289 | I | 48.2 | Very low | 43.5 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | | | trans | 89.2 | 81.6 | 156.2 | -137.3 | 72.6 | 0 | 0 | 0 | 118.9 | | |
| 290 | G | 40.7 | Very low | 44.2 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | trans | -149.9 | 95.5 | 156 | 0 | 0 | 0 | 0 | 0 | 108.9 | S292 | G290-S292 PolarHBondContact O-N 3.24Š|
| 291 | V | 39.7 | Very low | 45.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | | | trans | -58.7 | 104.4 | 173.2 | 179 | 0 | 0 | 0 | 0 | 108.4 | | |
| 292 | S | 40.5 | Very low | 46.9 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | | | trans | -124.6 | 96.9 | 146.1 | -78.8 | 0 | 0 | 0 | 0 | 105.9 | G290 L294 | G290-S292 PolarHBondContact O-N 3.24Å; S292-L294 PolarHBondContact O-N 2.86Å |
| 293 | E | 43.1 | Very low | 48.4 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -50.8 | 87.8 | 148.3 | -74.9 | 173.5 | 135.5 | 0 | 0 | 107.6 | | |
| 294 | L | 55.5 | Low | 50.1 | Low | 147 Ų | 147 | 133 Ų | 133 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | | | trans | -110.7 | 74.6 | 135 | -170.9 | 74.8 | 0 | 0 | 0 | 104.4 | S292 E296 | S292-L294 PolarHBondContact O-N 2.86Å; L294-E296 PolarHBondContact O-N 2.88Å |
| 295 | E | 43.9 | Very low | 52.3 | Low | 149 Ų | 149 | 131.3 Ų | 131.3 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | | | trans | -10.5 | 103 | 141.7 | 46 | -171 | 172.5 | 0 | 0 | 111.7 | D297 | E295-D297 PolarHBondContact O-N 3.45Š|
| 296 | E | 50.5 | Low | 54.2 | Low | 156 Ų | 156 | 129.1 Ų | 129.1 | 73% | 0.729 | 70% | 0.703 | S | S | * | * | | | | 33.3 | 55.6 | 114.1 | -152.5 | 82.1 | -148.6 | 0 | 0 | 115 | L294 S298 | L294-E296 PolarHBondContact O-N 2.88Å; E296-S298 PolarHBondContact O-N 3.06Å; E296-S298 PolarHBondContact OE1-OG 3.47Å |
| 297 | D | 48.7 | Very low | 56.7 | Low | 143 Ų | 143 | 126.8 Ų | 126.8 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | | | trans | -70.8 | 52.5 | 149.1 | -88 | -21.1 | 0 | 0 | 0 | 108.2 | E295 I299 | E295-D297 PolarHBondContact O-N 3.45Å; D297-I299 PolarHBondContact O-N 3.42Å |
| 298 | S | 52.8 | Low | 58.9 | Low | 82 Ų | 82 | 129.1 Ų | 129.1 | 57% | 0.573 | 69% | 0.693 | S | S | * | * | | | trans | -61 | 82.6 | 145.4 | -81.7 | 0 | 0 | 0 | 0 | 104.4 | E296 S300 | E296-S298 PolarHBondContact O-N 3.06Å; E296-S298 PolarHBondContact OE1-OG 3.47Å; S298-S300 VanDerWaalsContact C-N 3.3Å; S298-S300 PolarHBondContact O-N 3.42Å |
| 299 | I | 52.5 | Low | 61.3 | Low | 134 Ų | 134 | 125.6 Ų | 125.6 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | | | trans | -43.3 | 103.9 | 173.4 | -66.4 | 160.8 | 0 | 0 | 0 | 104.6 | D297 M301 | D297-I299 PolarHBondContact O-N 3.42Å; I299-M301 PolarHBondContact O-N 3.28Å; I299-M301 VanDerWaalsContact O-N 3.17Å |
| 300 | S | 50.5 | Low | 63.5 | Low | 77 Ų | 77 | 119 Ų | 119 | 54% | 0.538 | 64% | 0.644 | S | S | . | * | | | trans | -50.2 | 133.6 | -178.7 | 64.9 | 0 | 0 | 0 | 0 | 106.2 | S298 S302 | S298-S300 VanDerWaalsContact C-N 3.3Å; S298-S300 PolarHBondContact O-N 3.42Å; S300-S302 PolarHBondContact O-N 3.31Å; S300-S302 PolarHBondContact OG-OG 3.49Å |
| 301 | M | 63.1 | Low | 66 | Low | 199 Ų | 199 | 119.1 Ų | 119.1 | 98% | 0.98 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 34.6 | -179.4 | -149.5 | 71.5 | 62 | 0 | 0 | 111.6 | I299 | I299-M301 PolarHBondContact O-N 3.28Å; I299-M301 VanDerWaalsContact O-N 3.17Å |
| 302 | S | 58.6 | Low | 68.7 | Low | 90 Ų | 90 | 118.1 Ų | 118.1 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -0.2 | 178.1 | 72.5 | 0 | 0 | 0 | 0 | 112.1 | S300 K304 | S300-S302 PolarHBondContact O-N 3.31Å; S300-S302 PolarHBondContact OG-OG 3.49Å; S302-K304 VanDerWaalsContact C-N 3.26Å; S302-K304 PolarHBondContact O-N 2.62Å |
| 303 | Y | 66.9 | Low | 71.3 | Confident | 132 Ų | 132 | 116 Ų | 116 | 52% | 0.518 | 60% | 0.599 | S | S | . | * | | | trans | -66.7 | 91.3 | 166.7 | -173.6 | -106.8 | 0 | 0 | 0 | 109.3 | L305 D310 | Y303-L305 HydrophobicContact CD1-CD2 3.8Å; Y303-L305 HydrophobicContact CE1-CD2 3.63Å; Y303-L305 PolarHBondContact O-N 3.15Å; Y303-D310 HydrophobicContact CE1-CB 4.01Å; Y303-D310 PolarHBondContact OH-OD1 3.49Å; Y303-D310 PolarHBondContact OH-OD2 2.74Å |
| 304 | K | 79.1 | Confident | 73.8 | Confident | 159 Ų | 159 | 112 Ų | 112 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | | | trans | -75.2 | 118.7 | 175.3 | -168.2 | 176.8 | -177.2 | -175.4 | 0 | 106.9 | S302 Q306 | S302-K304 VanDerWaalsContact C-N 3.26Å; S302-K304 PolarHBondContact O-N 2.62Å; K304-Q306 VanDerWaalsContact C-N 3.27Å; K304-Q306 PolarHBondContact O-N 3.06Å |
| 305 | L | 86.8 | Confident | 75.7 | Confident | 80 Ų | 80 | 107.4 Ų | 107.4 | 42% | 0.419 | 57% | 0.565 | S | S | . | * | | | trans | -61.9 | 94.8 | 172.9 | -53.1 | 177.6 | 0 | 0 | 0 | 107.4 | Y303 D310 V311 M314 | Y303-L305 HydrophobicContact CD1-CD2 3.8Å; Y303-L305 HydrophobicContact CE1-CD2 3.63Å; Y303-L305 PolarHBondContact O-N 3.15Å; L305-D310 HydrophobicContact CB-CB 4.11Å; L305-D310 HydrophobicContact CD2-CB 3.7Å; L305-V311 HydrophobicContact CB-CG2 3.92Å; L305-V311 HydrophobicContact CD1-CG2 4.03Å; L305-M314 HydrophobicContact CD2-CB 4.43Å; L305-M314 HydrophobicContact CD2-CG 3.62Å |
| 306 | Q | 85.8 | Confident | 78.1 | Confident | 127 Ų | 127 | 108.4 Ų | 108.4 | 59% | 0.593 | 56% | 0.562 | S | S | * | * | | | trans | -86.6 | -35.7 | -167 | -175.8 | 53 | 60.8 | 0 | 0 | 109.5 | K304 D310 | K304-Q306 VanDerWaalsContact C-N 3.27Å; K304-Q306 PolarHBondContact O-N 3.06Å; Q306-D310 PolarHBondContact N-OD2 3.3Å; Q306-D310 VanDerWaalsContact N-OD2 3.1Å |
| 307 | D | 92.6 | Very high | 80.3 | Confident | 102 Ų | 102 | 106 Ų | 106 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -122.9 | 158.9 | 179.9 | -64.3 | -28.4 | 0 | 0 | 0 | 111.6 | T309 D310 V311 | D307-T309 PolarHBondContact O-N 2.92Å; D307-T309 VanDerWaalsContact O-N 3.13Å; D307-D310 WeakPolarHBondContact O-CB 3.39Å; D307-D310 PolarHBondContact O-N 2.95Å; D307-V311 PolarHBondContact O-N 2.91Å |
| 308 | M | 92.7 | Very high | 82.6 | Confident | 135 Ų | 135 | 106.4 Ų | 106.4 | 67% | 0.665 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -54.7 | -31.6 | 177.4 | -177.6 | -170.6 | 72.1 | 0 | 0 | 112.3 | D310 V311 E312 | M308-D310 VanDerWaalsContact C-N 3.33Å; M308-D310 PolarHBondContact O-N 3.34Å; M308-V311 WeakPolarHBondContact O-CB 3.21Å; M308-V311 PolarHBondContact O-N 3.31Å; M308-E312 WeakPolarHBondContact CE-OE1 3.25Å; M308-E312 WeakPolarHBondContact O-CG 3.31Å; M308-E312 PolarHBondContact O-N 3.21Å |
| 309 | T | 94.6 | Very high | 84.6 | Confident | 82 Ų | 82 | 107.4 Ų | 107.4 | 50% | 0.503 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 176.1 | -49 | 0 | 0 | 0 | 0 | 112.2 | D307 V311 E312 V313 | D307-T309 PolarHBondContact O-N 2.92Å; D307-T309 VanDerWaalsContact O-N 3.13Å; T309-V311 VanDerWaalsContact C-N 3.29Å; T309-V311 PolarHBondContact O-N 2.67Å; T309-E312 PolarHBondContact O-N 3.09Å; T309-V313 HydrophobicContact CG2-CG2 4.49Å; T309-V313 VanDerWaalsContact O-CG2 3.3Å; T309-V313 WeakPolarHBondContact O-CG2 3.17Å; T309-V313 PolarHBondContact O-N 3.23Å |
| 310 | D | 94.8 | Very high | 86.5 | Confident | 29 Ų | 29 | 105.6 Ų | 105.6 | 16% | 0.155 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 179.8 | -58.8 | -13.4 | 0 | 0 | 0 | 110.1 | Y303 L305 Q306 D307 M308 V313 M314 | Y303-D310 HydrophobicContact CE1-CB 4.01Å; Y303-D310 PolarHBondContact OH-OD1 3.49Å; Y303-D310 PolarHBondContact OH-OD2 2.74Å; L305-D310 HydrophobicContact CB-CB 4.11Å; L305-D310 HydrophobicContact CD2-CB 3.7Å; Q306-D310 PolarHBondContact N-OD2 3.3Å; Q306-D310 VanDerWaalsContact N-OD2 3.1Å; D307-D310 WeakPolarHBondContact O-CB 3.39Å; D307-D310 PolarHBondContact O-N 2.95Å; M308-D310 VanDerWaalsContact C-N 3.33Å; M308-D310 PolarHBondContact O-N 3.34Å; D310-V313 PolarHBondContact O-N 2.96Å; D310-M314 WeakPolarHBondContact O-CB 3.33Å; D310-M314 VanDerWaalsContact O-CG 3.29Å; D310-M314 WeakPolarHBondContact O-CG 3.36Å; D310-M314 PolarHBondContact O-N 3.39Å |
| 311 | V | 94.2 | Very high | 88.7 | Confident | 75 Ų | 75 | 104.9 Ų | 104.9 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 174.2 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | L305 D307 M308 T309 M314 A315 | L305-V311 HydrophobicContact CB-CG2 3.92Å; L305-V311 HydrophobicContact CD1-CG2 4.03Å; D307-V311 PolarHBondContact O-N 2.91Å; M308-V311 WeakPolarHBondContact O-CB 3.21Å; M308-V311 PolarHBondContact O-N 3.31Å; T309-V311 VanDerWaalsContact C-N 3.29Å; T309-V311 PolarHBondContact O-N 2.67Å; V311-M314 PolarHBondContact O-N 2.97Å; V311-A315 WeakPolarHBondContact O-CB 3.34Å; V311-A315 PolarHBondContact O-N 2.87Å |
| 312 | E | 95.3 | Very high | 90.2 | Very high | 96 Ų | 96 | 100 Ų | 100 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | 177.8 | -72.1 | 177.1 | -178.9 | 0 | 0 | 112.6 | M308 T309 R316 | M308-E312 WeakPolarHBondContact CE-OE1 3.25Å; M308-E312 WeakPolarHBondContact O-CG 3.31Å; M308-E312 PolarHBondContact O-N 3.21Å; T309-E312 PolarHBondContact O-N 3.09Å; E312-R316 VanDerWaalsContact O-CB 3.27Å; E312-R316 WeakPolarHBondContact O-CB 3.4Å; E312-R316 PolarHBondContact O-N 2.82Å |
| 313 | V | 95.6 | Very high | 91.9 | Very high | 69 Ų | 69 | 102.6 Ų | 102.6 | 42% | 0.418 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -48 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 110.1 | T309 D310 R316 L317 | T309-V313 HydrophobicContact CG2-CG2 4.49Å; T309-V313 VanDerWaalsContact O-CG2 3.3Å; T309-V313 WeakPolarHBondContact O-CG2 3.17Å; T309-V313 PolarHBondContact O-N 3.23Å; D310-V313 PolarHBondContact O-N 2.96Å; V313-R316 PolarHBondContact O-N 3.11Å; V313-L317 HydrophobicContact CG1-CD1 3.88Å; V313-L317 VanDerWaalsContact O-CD1 3.22Å; V313-L317 WeakPolarHBondContact O-CD1 3.32Å; V313-L317 PolarHBondContact O-N 3.22Å |
| 314 | M | 94.9 | Very high | 93 | Very high | 90 Ų | 90 | 101.2 Ų | 101.2 | 44% | 0.443 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.8 | -70.2 | -58.6 | -72 | 0 | 0 | 112.5 | L305 D310 V311 R316 L317 Q318 | L305-M314 HydrophobicContact CD2-CB 4.43Å; L305-M314 HydrophobicContact CD2-CG 3.62Å; D310-M314 WeakPolarHBondContact O-CB 3.33Å; D310-M314 VanDerWaalsContact O-CG 3.29Å; D310-M314 WeakPolarHBondContact O-CG 3.36Å; D310-M314 PolarHBondContact O-N 3.39Å; V311-M314 PolarHBondContact O-N 2.97Å; M314-R316 VanDerWaalsContact C-N 3.32Å; M314-R316 PolarHBondContact O-N 2.83Å; M314-L317 PolarHBondContact O-N 2.97Å; M314-Q318 VanDerWaalsContact O-CB 3.31Å; M314-Q318 WeakPolarHBondContact O-CB 3.43Å; M314-Q318 PolarHBondContact O-N 3.41Å |
| 315 | A | 95.2 | Very high | 93.2 | Very high | 50 Ų | 50 | 98 Ų | 98 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V311 Q318 E319 | V311-A315 WeakPolarHBondContact O-CB 3.34Å; V311-A315 PolarHBondContact O-N 2.87Å; A315-Q318 PolarHBondContact O-N 3.44Å; A315-E319 WeakPolarHBondContact O-CB 3.31Å; A315-E319 PolarHBondContact O-N 3.32Å |
| 316 | R | 96.2 | Very high | 93 | Very high | 170 Ų | 170 | 101.6 Ų | 101.6 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 176.3 | -171.2 | -174.5 | -55.1 | -150.4 | 1.9 | 112.1 | E312 V313 M314 Q318 E319 E320 | E312-R316 VanDerWaalsContact O-CB 3.27Å; E312-R316 WeakPolarHBondContact O-CB 3.4Å; E312-R316 PolarHBondContact O-N 2.82Å; V313-R316 PolarHBondContact O-N 3.11Å; M314-R316 VanDerWaalsContact C-N 3.32Å; M314-R316 PolarHBondContact O-N 2.83Å; R316-Q318 VanDerWaalsContact C-N 3.34Å; R316-E319 PolarHBondContact O-N 3.04Å; R316-E320 WeakPolarHBondContact O-CB 3.15Å; R316-E320 PolarHBondContact O-N 2.6Å |
| 317 | L | 96.6 | Very high | 92.5 | Very high | 105 Ų | 105 | 98.2 Ų | 98.2 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 175.6 | -97.9 | 72.3 | 0 | 0 | 0 | 111 | V313 M314 E320 S321 | V313-L317 HydrophobicContact CG1-CD1 3.88Å; V313-L317 VanDerWaalsContact O-CD1 3.22Å; V313-L317 WeakPolarHBondContact O-CD1 3.32Å; V313-L317 PolarHBondContact O-N 3.22Å; M314-L317 PolarHBondContact O-N 2.97Å; L317-E320 PolarHBondContact O-N 3.35Å; L317-S321 VanDerWaalsContact O-CB 3.3Å; L317-S321 WeakPolarHBondContact O-CB 3.48Å; L317-S321 PolarHBondContact O-N 3.31Å |
| 318 | Q | 95.7 | Very high | 91.5 | Very high | 152 Ų | 152 | 96.8 Ų | 96.8 | 71% | 0.71 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.9 | -41.6 | 177.2 | -172.2 | 175.5 | 11.3 | 0 | 0 | 111.7 | M314 A315 R316 L322 | M314-Q318 VanDerWaalsContact O-CB 3.31Å; M314-Q318 WeakPolarHBondContact O-CB 3.43Å; M314-Q318 PolarHBondContact O-N 3.41Å; A315-Q318 PolarHBondContact O-N 3.44Å; R316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-L322 WeakPolarHBondContact O-CB 3.21Å; Q318-L322 PolarHBondContact O-N 3.33Å |
| 319 | E | 94.8 | Very high | 90.1 | Very high | 102 Ų | 102 | 94.5 Ų | 94.5 | 48% | 0.477 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.2 | 176.6 | 175.1 | -161.1 | 0 | 0 | 112.3 | A315 R316 R323 | A315-E319 WeakPolarHBondContact O-CB 3.31Å; A315-E319 PolarHBondContact O-N 3.32Å; R316-E319 PolarHBondContact O-N 3.04Å; E319-R323 PolarHBondContact O-N 3.37Å; E319-R323 IonicContact OE1-CZ 3.67Å; E319-R323 IonicContact OE1-NH1 3.35Å; E319-R323 PolarHBondContact OE1-NH1 3.17Å; E319-R323 IonicContact OE1-NH2 3.47Å; E319-R323 PolarHBondContact OE1-NH2 3.46Å |
| 320 | E | 93.4 | Very high | 88.2 | Confident | 97 Ų | 97 | 93.8 Ų | 93.8 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 175.7 | 179.6 | 60.5 | -146.9 | 0 | 0 | 111.1 | R316 L317 L322 R323 Q324 | R316-E320 WeakPolarHBondContact O-CB 3.15Å; R316-E320 PolarHBondContact O-N 2.6Å; L317-E320 PolarHBondContact O-N 3.35Å; E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 2.66Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R323 VanDerWaalsContact O-N 3.11Å; E320-Q324 WeakPolarHBondContact O-CG 3.31Å; E320-Q324 PolarHBondContact O-N 3Å; E320-Q324 PolarHBondContact OE1-NE2 3.04Å |
| 321 | S | 95.5 | Very high | 86.2 | Confident | 61 Ų | 61 | 97.2 Ų | 97.2 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.6 | -44.8 | 175.1 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | L317 R323 Q324 D325 | L317-S321 VanDerWaalsContact O-CB 3.3Å; L317-S321 WeakPolarHBondContact O-CB 3.48Å; L317-S321 PolarHBondContact O-N 3.31Å; S321-R323 PolarHBondContact O-N 2.83Å; S321-Q324 WeakPolarHBondContact O-CB 3.43Å; S321-Q324 PolarHBondContact O-N 3.29Å; S321-D325 PolarHBondContact O-N 3.42Å |
| 322 | L | 95.7 | Very high | 84.3 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 176.8 | -163.8 | 74.3 | 0 | 0 | 0 | 112 | Q318 E320 Q324 D325 Y326 | Q318-L322 WeakPolarHBondContact O-CB 3.21Å; Q318-L322 PolarHBondContact O-N 3.33Å; E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 2.66Å; L322-Q324 VanDerWaalsContact C-N 3.31Å; L322-Q324 PolarHBondContact O-N 3.11Å; L322-D325 PolarHBondContact O-N 3.37Å; L322-Y326 HydrophobicContact CD1-CE2 4.3Å; L322-Y326 HydrophobicContact CD2-CE2 4Å; L322-Y326 HydrophobicContact CG-CD2 4.11Å; L322-Y326 HydrophobicContact CG-CE2 3.74Å; L322-Y326 WeakPolarHBondContact O-CD2 3.45Å; L322-Y326 PolarHBondContact O-N 2.88Å |
| 323 | R | 94.3 | Very high | 82.2 | Confident | 144 Ų | 144 | 94.7 Ų | 94.7 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -35.4 | 175.4 | -80.7 | -166.4 | 170.1 | 77.8 | -1.2 | 112.5 | E319 E320 S321 Y326 A327 | E319-R323 PolarHBondContact O-N 3.37Å; E319-R323 IonicContact OE1-CZ 3.67Å; E319-R323 IonicContact OE1-NH1 3.35Å; E319-R323 PolarHBondContact OE1-NH1 3.17Å; E319-R323 IonicContact OE1-NH2 3.47Å; E319-R323 PolarHBondContact OE1-NH2 3.46Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R323 VanDerWaalsContact O-N 3.11Å; S321-R323 PolarHBondContact O-N 2.83Å; R323-Y326 PolarHBondContact O-N 3.41Å; R323-A327 WeakPolarHBondContact O-CB 3.46Å; R323-A327 PolarHBondContact O-N 2.91Å |
| 324 | Q | 89.6 | Confident | 80.1 | Confident | 104 Ų | 104 | 96.4 Ų | 96.4 | 49% | 0.486 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 174.9 | -71.1 | 177.3 | 10.7 | 0 | 0 | 111.6 | E320 S321 L322 A327 S328 | E320-Q324 WeakPolarHBondContact O-CG 3.31Å; E320-Q324 PolarHBondContact O-N 3Å; E320-Q324 PolarHBondContact OE1-NE2 3.04Å; S321-Q324 WeakPolarHBondContact O-CB 3.43Å; S321-Q324 PolarHBondContact O-N 3.29Å; L322-Q324 VanDerWaalsContact C-N 3.31Å; L322-Q324 PolarHBondContact O-N 3.11Å; Q324-A327 PolarHBondContact O-N 2.82Å; Q324-S328 VanDerWaalsContact O-CB 3.24Å; Q324-S328 WeakPolarHBondContact O-CB 3.47Å; Q324-S328 PolarHBondContact O-N 2.86Å; Q324-S328 PolarHBondContact O-OG 3.48Å |
| 325 | D | 83.8 | Confident | 77.9 | Confident | 91 Ų | 91 | 95.6 Ų | 95.6 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 173.5 | -71.8 | -22 | 0 | 0 | 0 | 111.4 | S321 L322 A327 S328 T329 | S321-D325 PolarHBondContact O-N 3.42Å; L322-D325 PolarHBondContact O-N 3.37Å; D325-A327 PolarHBondContact O-N 3.45Å; D325-S328 PolarHBondContact O-N 2.87Å; D325-T329 VanDerWaalsContact O-CB 3.31Å; D325-T329 WeakPolarHBondContact O-CB 3.11Å; D325-T329 PolarHBondContact O-N 3.23Å; D325-T329 PolarHBondContact O-OG1 3.05Å |
| 326 | Y | 81.8 | Confident | 75.8 | Confident | 155 Ų | 155 | 98.3 Ų | 98.3 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 175.2 | -81 | -70.8 | 0 | 0 | 0 | 112.6 | L322 R323 S330 | L322-Y326 HydrophobicContact CD1-CE2 4.3Å; L322-Y326 HydrophobicContact CD2-CE2 4Å; L322-Y326 HydrophobicContact CG-CD2 4.11Å; L322-Y326 HydrophobicContact CG-CE2 3.74Å; L322-Y326 WeakPolarHBondContact O-CD2 3.45Å; L322-Y326 PolarHBondContact O-N 2.88Å; R323-Y326 PolarHBondContact O-N 3.41Å; Y326-S330 WeakPolarHBondContact O-CB 3.24Å; Y326-S330 PolarHBondContact O-N 2.93Å; Y326-S330 PolarHBondContact O-OG 3.47Å |
| 327 | A | 76.4 | Confident | 73.4 | Confident | 56 Ų | 56 | 94.3 Ų | 94.3 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.3 | -39.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R323 Q324 D325 S330 T331 | R323-A327 WeakPolarHBondContact O-CB 3.46Å; R323-A327 PolarHBondContact O-N 2.91Å; Q324-A327 PolarHBondContact O-N 2.82Å; D325-A327 PolarHBondContact O-N 3.45Å; A327-S330 PolarHBondContact O-N 2.84Å; A327-T331 PolarHBondContact O-N 3.15Å; A327-T331 PolarHBondContact O-OG1 3.39Å |
| 328 | S | 71.1 | Confident | 70.7 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.7 | -34.3 | 179 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | Q324 D325 T331 S332 | Q324-S328 VanDerWaalsContact O-CB 3.24Å; Q324-S328 WeakPolarHBondContact O-CB 3.47Å; Q324-S328 PolarHBondContact O-N 2.86Å; Q324-S328 PolarHBondContact O-OG 3.48Å; D325-S328 PolarHBondContact O-N 2.87Å; S328-T331 WeakPolarHBondContact CA-OG1 3.39Å; S328-T331 PolarHBondContact O-OG1 3.42Å; S328-S332 WeakPolarHBondContact O-CB 3.46Å; S328-S332 PolarHBondContact O-N 3.03Å; S328-S332 PolarHBondContact O-OG 3.36Å |
| 329 | T | 61.9 | Low | 68.1 | Low | 86 Ų | 86 | 95.5 Ų | 95.5 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -74 | -35.8 | 173.1 | -41.6 | 0 | 0 | 0 | 0 | 111.2 | D325 S332 A333 | D325-T329 VanDerWaalsContact O-CB 3.31Å; D325-T329 WeakPolarHBondContact O-CB 3.11Å; D325-T329 PolarHBondContact O-N 3.23Å; D325-T329 PolarHBondContact O-OG1 3.05Å; T329-S332 WeakPolarHBondContact CA-OG 3.21Å; T329-S332 PolarHBondContact O-OG 2.85Å; T329-S332 VanDerWaalsContact O-OG 3.11Å; T329-A333 WeakPolarHBondContact O-CB 3.3Å; T329-A333 PolarHBondContact O-N 3.32Å |
| 330 | S | 55.7 | Low | 65.6 | Low | 67 Ų | 67 | 102 Ų | 102 | 47% | 0.469 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.5 | -36.1 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | Y326 A327 T334 | Y326-S330 WeakPolarHBondContact O-CB 3.24Å; Y326-S330 PolarHBondContact O-N 2.93Å; Y326-S330 PolarHBondContact O-OG 3.47Å; A327-S330 PolarHBondContact O-N 2.84Å; S330-T334 VanDerWaalsContact O-CB 3.31Å; S330-T334 WeakPolarHBondContact O-CB 3.21Å; S330-T334 PolarHBondContact O-N 3.37Å; S330-T334 PolarHBondContact O-OG1 3.42Å |
| 331 | T | 53 | Low | 62.8 | Low | 101 Ų | 101 | 103 Ų | 103 | 62% | 0.62 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73 | -36.5 | 176 | 43.1 | 0 | 0 | 0 | 0 | 112.4 | A327 S328 A335 | A327-T331 PolarHBondContact O-N 3.15Å; A327-T331 PolarHBondContact O-OG1 3.39Å; S328-T331 WeakPolarHBondContact CA-OG1 3.39Å; S328-T331 PolarHBondContact O-OG1 3.42Å; T331-A335 PolarHBondContact O-N 3.49Å |
| 332 | S | 53.2 | Low | 59.8 | Low | 68 Ų | 68 | 106 Ų | 106 | 48% | 0.476 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -74.3 | -34.1 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 114 | S328 T329 T336 | S328-S332 WeakPolarHBondContact O-CB 3.46Å; S328-S332 PolarHBondContact O-N 3.03Å; S328-S332 PolarHBondContact O-OG 3.36Å; T329-S332 WeakPolarHBondContact CA-OG 3.21Å; T329-S332 PolarHBondContact O-OG 2.85Å; T329-S332 VanDerWaalsContact O-OG 3.11Å; S332-T336 PolarHBondContact O-OG1 2.91Å |
| 333 | A | 52.5 | Low | 56.7 | Low | 51 Ų | 51 | 107.1 Ų | 107.1 | 42% | 0.421 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.9 | -34 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T329 T336 A337 | T329-A333 WeakPolarHBondContact O-CB 3.3Å; T329-A333 PolarHBondContact O-N 3.32Å; A333-T336 PolarHBondContact O-OG1 3.09Å; A333-A337 WeakPolarHBondContact O-CB 3.31Å; A333-A337 PolarHBondContact O-N 3.22Å; A333-A337 VanDerWaalsContact O-N 3.15Å |
| 334 | T | 50.2 | Low | 53.8 | Low | 105 Ų | 105 | 110 Ų | 110 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.5 | -28.5 | 179.8 | -46.3 | 0 | 0 | 0 | 0 | 112.2 | S330 T336 | S330-T334 VanDerWaalsContact O-CB 3.31Å; S330-T334 WeakPolarHBondContact O-CB 3.21Å; S330-T334 PolarHBondContact O-N 3.37Å; S330-T334 PolarHBondContact O-OG1 3.42Å; T334-T336 VanDerWaalsContact C-N 3.33Å; T334-T336 PolarHBondContact O-N 2.87Å |
| 335 | A | 50.1 | Low | 51.2 | Low | 72 Ų | 72 | 110 Ų | 110 | 60% | 0.595 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.3 | -22.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T331 | T331-A335 PolarHBondContact O-N 3.49Å |
| 336 | T | 50.5 | Low | 48.7 | Very low | 108 Ų | 108 | 112.3 Ų | 112.3 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -100.2 | -20.2 | -178.9 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | S332 A333 T334 | S332-T336 PolarHBondContact O-OG1 2.91Å; A333-T336 PolarHBondContact O-OG1 3.09Å; T334-T336 VanDerWaalsContact C-N 3.33Å; T334-T336 PolarHBondContact O-N 2.87Å |
| 337 | A | 44.6 | Very low | 46.6 | Very low | 86 Ų | 86 | 112.6 Ų | 112.6 | 71% | 0.711 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -83.8 | -13.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A333 | A333-A337 WeakPolarHBondContact O-CB 3.31Å; A333-A337 PolarHBondContact O-N 3.22Å; A333-A337 VanDerWaalsContact O-N 3.15Å |
| 338 | G | 41.1 | Very low | 44.4 | Very low | 68 Ų | 68 | 115.1 Ų | 115.1 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -4.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 339 | R | 40.9 | Very low | 42.6 | Very low | 214 Ų | 214 | 119.2 Ų | 119.2 | 81% | 0.808 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -117.5 | 78.3 | -177.8 | -73.7 | -179.8 | 150 | -100.3 | -2.7 | 110 | | |
| 340 | R | 42.8 | Very low | 41.2 | Very low | 239 Ų | 239 | 125.9 Ų | 125.9 | 90% | 0.902 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 169.5 | 80.3 | 149 | -91.5 | 167.6 | 99.1 | -170 | 5.1 | 110.5 | | |
| 341 | S | 33.9 | Very low | 40.2 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -171.8 | 134.3 | 133.4 | -83.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 342 | S | 33.7 | Very low | 39.3 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | 79.9 | 82.9 | 177.3 | 73.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 343 | S | 30.5 | Very low | 38.4 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | | | trans | -81.8 | 111.9 | 157.3 | 44.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 344 | F | 31.9 | Very low | 37.8 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | | | trans | -124.3 | 125.7 | 132 | 88.8 | -89.4 | 0 | 0 | 0 | 106 | | |
| 345 | S | 36.1 | Very low | 36.8 | Very low | 104 Ų | 104 | 144.4 Ų | 144.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -129 | 132.5 | -174 | 170.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 346 | L | 31.9 | Very low | 36.4 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | | | trans | -149.2 | 129.3 | 147.1 | -80 | -172.2 | 0 | 0 | 0 | 110.8 | | |
| 347 | H | 36.8 | Very low | 35.7 | Very low | 162 Ų | 162 | 150.4 Ų | 150.4 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | | | trans | 79.8 | 90.7 | 165.6 | -34.7 | -56.3 | 0 | 0 | 0 | 115.7 | | |
| 348 | S | 31 | Very low | 35.1 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | | 66 | 99.4 | 55.1 | -155.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 349 | L | 32 | Very low | 34.9 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | | 42.6 | 99.3 | 123.4 | -165.9 | 82.9 | 0 | 0 | 0 | 118.8 | | |
| 350 | R | 33.4 | Very low | 34.9 | Very low | 226 Ų | 226 | 153.2 Ų | 153.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -161.7 | 137.1 | 146.5 | -70.4 | -60.3 | 179.1 | 112 | -0.9 | 104.4 | | |
| 351 | R | 34.3 | Very low | 35.1 | Very low | 185 Ų | 185 | 149.1 Ų | 149.1 | 70% | 0.698 | 78% | 0.778 | S | S | * | * | | | cis | -165.8 | 130.7 | 11.2 | -166 | -169.5 | -70.4 | 178.5 | -1.1 | 104.5 | E353 | R351-E353 IonicContact NH1-OE2 3.72Š|
| 352 | C | 34.5 | Very low | 35.6 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | | | trans | -77.7 | 122.2 | 153.9 | -86.3 | 0 | 0 | 0 | 0 | 105.7 | | |
| 353 | E | 33 | Very low | 36.2 | Very low | 157 Ų | 157 | 152.7 Ų | 152.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -144.3 | 134 | 157.9 | -146 | 172.1 | -160.7 | 0 | 0 | 109.5 | R351 | R351-E353 IonicContact NH1-OE2 3.72Š|
| 354 | L | 41.1 | Very low | 37 | Very low | 148 Ų | 148 | 155 Ų | 155 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | | | trans | -75.3 | 130.1 | 174.8 | 173.9 | 159.3 | 0 | 0 | 0 | 106.7 | | |
| 355 | D | 29.8 | Very low | 37.3 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -157.3 | 143.5 | 147.2 | -143.1 | 4.7 | 0 | 0 | 0 | 113.4 | | |
| 356 | L | 41.6 | Very low | 37.3 | Very low | 133 Ų | 133 | 154 Ų | 154 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | | | trans | -86.8 | 170.9 | 179.5 | -86.5 | 141.9 | 0 | 0 | 0 | 110.5 | | |
| 357 | E | 35.3 | Very low | 37.9 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 78.4 | 145.4 | 161.2 | -36.1 | -150.6 | 131.2 | 0 | 0 | 113.8 | | |
| 358 | E | 32.3 | Very low | 38.2 | Very low | 150 Ų | 150 | 151.3 Ų | 151.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | cis | -162.1 | -173.4 | 4.3 | -142 | 172.5 | -173.2 | 0 | 0 | 105.1 | | |
| 359 | E | 36 | Very low | 39 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | | | trans | -14.2 | 156.1 | 150.1 | -82.6 | 154.9 | 124.9 | 0 | 0 | 117.3 | | |
| 360 | D | 41.4 | Very low | 39.7 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 65% | 0.647 | 75% | 0.748 | S | S | * | * | | | cis | -169.3 | -176.3 | 23.6 | -148.9 | -15.6 | 0 | 0 | 0 | 106.9 | | |
| 361 | E | 45.8 | Very low | 40.2 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | | | trans | -41.1 | 178.4 | 173.6 | -65.4 | 172.7 | 174.1 | 0 | 0 | 120.3 | | |
| 362 | E | 45.5 | Very low | 40.5 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | trans | 89.5 | 100.8 | 158.5 | -48.8 | 179.5 | -145.7 | 0 | 0 | 115.4 | | |
| 363 | D | 46.7 | Very low | 41.2 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | | 59.7 | 132.5 | 75.4 | -147.9 | 19.4 | 0 | 0 | 0 | 115.4 | | |
| 364 | E | 45.6 | Very low | 41.7 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | 67.2 | 110.3 | 163.8 | -47 | -140.9 | 175.2 | 0 | 0 | 121.1 | | |
| 365 | G | 39.9 | Very low | 41.5 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | | | | 115.1 | 132.1 | 118.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 366 | Y | 36 | Very low | 41.7 | Very low | 221 Ų | 221 | 146 Ų | 146 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | | | trans | 75 | 137.1 | 155.9 | -75.4 | -95.5 | 0 | 0 | 0 | 116.5 | | |
| 367 | D | 44.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 147.8 Ų | 147.8 | 54% | 0.535 | 75% | 0.749 | S | S | . | * | | | cis | -166 | 155.5 | 1.9 | -149.6 | -9.1 | 0 | 0 | 0 | 108.8 | | |
| 368 | Q | 41.5 | Very low | 41.3 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | | | trans | 61.9 | 104 | 139 | -90.2 | 153.6 | 49.4 | 0 | 0 | 123.2 | | |
| 369 | L | 48.6 | Very low | 41.5 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | | | | 109.2 | 130.5 | 124.2 | -60.7 | 174.1 | 0 | 0 | 0 | 117.8 | | |
| 370 | P | 47.4 | Very low | 41.3 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 134.2 | 169.5 | 31.9 | -30.2 | 0 | 0 | 0 | 109.8 | | |
| 371 | P | 44 | Very low | 40.8 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 142.7 | 169 | 22.2 | -28.1 | 0 | 0 | 0 | 110.9 | | |
| 372 | P | 40.3 | Very low | 40.1 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 140.5 | -150.5 | 31.7 | -36.5 | 0 | 0 | 0 | 114.5 | | |
| 373 | Q | 48.9 | Very low | 39.7 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 136.7 | 168.5 | -66.6 | -175.9 | -22.3 | 0 | 0 | 111.5 | R375 | Q373-R375 PolarHBondContact O-N 2.96Å; Q373-R375 VanDerWaalsContact O-N 3.1Å |
| 374 | P | 42.5 | Very low | 39.2 | Very low | 132 Ų | 132 | 147.6 Ų | 147.6 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | | | trans | -72.4 | 103 | 163 | 27.9 | -28.9 | 0 | 0 | 0 | 110.4 | | |
| 375 | R | 37.5 | Very low | 38.5 | Very low | 222 Ų | 222 | 143 Ų | 143 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | trans | -38.3 | 146 | 154.2 | -76.6 | -167.7 | -166.6 | 126.1 | 1.7 | 112.7 | Q373 | Q373-R375 PolarHBondContact O-N 2.96Å; Q373-R375 VanDerWaalsContact O-N 3.1Å |
| 376 | L | 34.9 | Very low | 38.1 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | | | cis | -164.5 | 154.5 | 2 | -82.7 | 157.8 | 0 | 0 | 0 | 106.5 | | |
| 377 | F | 32.6 | Very low | 38.5 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | | | trans | 18 | 153.6 | 130.5 | -59.6 | -83.9 | 0 | 0 | 0 | 119.3 | | |
| 378 | R | 34.6 | Very low | 38.5 | Very low | 200 Ų | 200 | 143 Ų | 143 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | cis | 171.3 | 145.2 | 22.6 | 138.1 | -168 | -58.6 | -116.1 | 7.7 | 107.6 | | |
| 379 | T | 36.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | 40.4 | 136.9 | 151.9 | 69 | 0 | 0 | 0 | 0 | 123.4 | | |
| 380 | G | 31.7 | Very low | 37.4 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | 166.3 | 108.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 381 | S | 31 | Very low | 36.8 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | | 87.8 | 110.2 | 85.2 | 171.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 382 | M | 32.5 | Very low | 36.3 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | 55.9 | 111.3 | 144.4 | -62.4 | -65 | 115.1 | 0 | 0 | 121.3 | | |
| 383 | Q | 35.9 | Very low | 36.3 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | | 85.5 | 125.3 | 112.7 | -153.8 | 156.7 | 30.2 | 0 | 0 | 121.5 | | |
| 384 | R | 37.1 | Very low | 35.3 | Very low | 237 Ų | 237 | 143.9 Ų | 143.9 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | | | trans | 70.7 | 134.3 | 166.9 | -72.3 | -176.4 | -138.9 | -143.8 | 4.6 | 117.2 | | |
| 385 | G | 31.2 | Very low | 34.7 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | cis | -167.1 | 143.5 | 0.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 386 | S | 30.8 | Very low | 34.6 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | | 180 | 132.5 | 96.5 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 387 | M | 44.6 | Very low | 35 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | | | trans | -70.1 | 172.6 | 160.6 | -129.3 | 88.5 | 74.5 | 0 | 0 | 109.5 | | |
| 388 | P | 44.4 | Very low | 35.1 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | | | cis | -131.7 | 154.2 | 35.2 | 12.5 | 15.1 | 0 | 0 | 0 | 118.9 | | |
| 389 | H | 31.7 | Very low | 34.9 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | | | trans | 62 | 105.2 | 140.8 | -61.9 | -50.3 | 0 | 0 | 0 | 120.4 | | |
| 390 | S | 34 | Very low | 34.8 | Very low | 84 Ų | 84 | 145.9 Ų | 145.9 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | | | | 72.9 | 133.2 | 76.7 | 74.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 391 | H | 36.1 | Very low | 34.7 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | cis | -163.1 | 132.9 | 32.6 | -88.8 | -77.5 | 0 | 0 | 0 | 108.3 | | |
| 392 | T | 33.2 | Very low | 34.7 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | | 86.1 | 123.6 | 88.1 | -45.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 393 | F | 39.2 | Very low | 34.8 | Very low | 191 Ų | 191 | 153.4 Ų | 153.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -34.8 | 157.2 | 173.5 | -77.5 | -100.6 | 0 | 0 | 0 | 121.4 | | |
| 394 | S | 28.3 | Very low | 34.6 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -154.7 | 110.5 | 145.4 | -69.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 395 | S | 30.3 | Very low | 34.3 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | cis | 53.2 | 95.3 | 43.3 | -159.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 396 | F | 36 | Very low | 35.2 | Very low | 202 Ų | 202 | 145.1 Ų | 145.1 | 89% | 0.886 | 80% | 0.797 | S | S | * | * | | | trans | -91.2 | 109.5 | 173.4 | 55.5 | -86.6 | 0 | 0 | 0 | 109.5 | | |
| 397 | R | 43.3 | Very low | 35.3 | Very low | 221 Ų | 221 | 147.9 Ų | 147.9 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -131.7 | 130.3 | 151.8 | -79.9 | -165.6 | 178.5 | -162.2 | 0.8 | 108.2 | | |
| 398 | D | 34.1 | Very low | 34.5 | Very low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | 18.5 | 120.3 | 151.5 | -58.4 | -61.2 | 0 | 0 | 0 | 118.9 | | |
| 399 | C | 30.5 | Very low | 33.7 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | | | trans | -147 | 97.9 | 150.5 | -92.8 | 0 | 0 | 0 | 0 | 112 | | |
| 400 | R | 34 | Very low | 33.7 | Very low | 222 Ų | 222 | 149.6 Ų | 149.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | 7.1 | 119.2 | 132.7 | -172.8 | -179 | -74.7 | -106.2 | 1.7 | 116.2 | T402 | R400-T402 HydrophobicContact CG-CG2 4.45Š|
| 401 | R | 30 | Very low | 33.4 | Very low | 248 Ų | 248 | 151.3 Ų | 151.3 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | | | trans | -84.3 | 113.5 | 168.9 | -153.7 | -175.9 | -58.3 | -102.5 | 3.4 | 108.7 | | |
| 402 | T | 30.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | | | trans | -117.5 | 125.7 | 163.9 | 36.2 | 0 | 0 | 0 | 0 | 108.6 | R400 | R400-T402 HydrophobicContact CG-CG2 4.45Š|
| 403 | S | 34.9 | Very low | 33.2 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | | | trans | -88 | 135.1 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 404 | A | 32 | Very low | 32.8 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | | | trans | -170.9 | 119.2 | 150.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 405 | G | 31.1 | Very low | 33.2 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | 81.6 | 122.3 | 131.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 406 | P | 51.3 | Low | 33.2 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 80% | 0.799 | 84% | 0.838 | S | S | * | * | | | trans | -94.2 | 153.6 | 177.1 | 37 | -30.2 | 0 | 0 | 0 | 112 | | |
| 407 | Q | 30.9 | Very low | 33.1 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | | | trans | -159.7 | 151.5 | 150.4 | -77.5 | -131.5 | -4.3 | 0 | 0 | 114.3 | | |
| 408 | F | 29.2 | Very low | 32.4 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | | | trans | -50.2 | 151.8 | -172.7 | -60.2 | -98.3 | 0 | 0 | 0 | 118.9 | | |
| 409 | S | 27.9 | Very low | 32.8 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | | | | 170.3 | 141.9 | 104 | -74.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 410 | L | 31.8 | Very low | 32.8 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | | | trans | -33.2 | 156 | 171.3 | -78.4 | 149 | 0 | 0 | 0 | 123 | | |
| 411 | S | 27.2 | Very low | 32.6 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | | | trans | 90 | 131 | 135.6 | -74.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 412 | G | 30.2 | Very low | 32.9 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | | | trans | 159.2 | 89.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 413 | L | 35 | Very low | 33.1 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | | | trans | -60.7 | 145.1 | 173.6 | -67.5 | 157.7 | 0 | 0 | 0 | 113 | | |
| 414 | S | 31.1 | Very low | 33 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | | | | -161.4 | 128.3 | 129.3 | -160.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 415 | Q | 35.8 | Very low | 33.1 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | | | trans | -74.9 | 152.3 | 171.7 | -64.8 | 159.5 | -3.6 | 0 | 0 | 110.2 | | |
| 416 | L | 31.3 | Very low | 33.5 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | | | trans | -171.9 | 131.4 | 138.1 | -94.2 | 151 | 0 | 0 | 0 | 110.2 | | |
| 417 | S | 32.4 | Very low | 32.9 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | | | trans | -69.9 | 159.3 | -171.6 | -53 | 0 | 0 | 0 | 0 | 116 | | |
| 418 | G | 29.9 | Very low | 33.3 | Very low | 73 Ų | 73 | 135 Ų | 135 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | trans | 132.8 | 130.6 | 141.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 419 | P | 42 | Very low | 33.8 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | | | trans | -91 | 150.1 | -163.6 | 37 | -33.6 | 0 | 0 | 0 | 113.5 | | |
| 420 | S | 29.1 | Very low | 34.5 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | -147.1 | 105 | 159.4 | -167.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 421 | S | 30.6 | Very low | 35.2 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | trans | -66.1 | 128.4 | 167.8 | 49 | 0 | 0 | 0 | 0 | 111.3 | | |
| 422 | L | 35.5 | Very low | 35.9 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -151.2 | 102.6 | 143.5 | -78.9 | -174.7 | 0 | 0 | 0 | 108.9 | | |
| 423 | I | 35.5 | Very low | 36.9 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | trans | -93.2 | 125.2 | 156 | -67 | 172.9 | 0 | 0 | 0 | 105.6 | | |
| 424 | A | 33.7 | Very low | 37.9 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | | | trans | -145.4 | 105.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 425 | D | 33 | Very low | 39.1 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | trans | 44.4 | 104.6 | 142.9 | -60.5 | -36.5 | 0 | 0 | 0 | 120.3 | | |
| 426 | T | 38.9 | Very low | 40.5 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | -124.8 | 62.3 | 158.9 | -41.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 427 | H | 40.5 | Very low | 42.1 | Very low | 182 Ų | 182 | 122.2 Ų | 122.2 | 84% | 0.843 | 72% | 0.721 | S | S | * | * | | | trans | -108 | 6.6 | 173.6 | -86.7 | -76.1 | 0 | 0 | 0 | 114.8 | | |
| 428 | A | 38.9 | Very low | 43.6 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -92.7 | -8.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 429 | A | 40 | Very low | 45.1 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 65% | 0.653 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -84 | -14.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 430 | Y | 42.5 | Very low | 46.1 | Very low | 219 Ų | 219 | 128.2 Ų | 128.2 | 86% | 0.859 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -15.1 | -168.1 | -153.2 | -100.3 | 0 | 0 | 0 | 115 | | |
| 431 | R | 46.8 | Very low | 47.5 | Very low | 228 Ų | 228 | 127.1 Ų | 127.1 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -16.4 | 179.1 | -70.5 | -150.1 | -151.1 | -84.6 | 2.7 | 115.1 | | |
| 432 | S | 41.9 | Very low | 48.6 | Very low | 66 Ų | 66 | 126.1 Ų | 126.1 | 46% | 0.462 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -85.2 | -18.1 | -178.2 | -168.6 | 0 | 0 | 0 | 0 | 113.7 | K436 | S432-K436 WeakPolarHBondContact O-CG 3.17Å |
| 433 | G | 50.7 | Low | 49.4 | Very low | 43 Ų | 43 | 125.4 Ų | 125.4 | 44% | 0.443 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -73.6 | -33 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | K436 L437 | G433-K436 PolarHBondContact O-N 3.44Å; G433-L437 WeakPolarHBondContact O-CB 3.45Å; G433-L437 PolarHBondContact O-N 3.01Å |
| 434 | A | 56.4 | Low | 50.2 | Low | 54 Ų | 54 | 123.3 Ų | 123.3 | 45% | 0.446 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67 | -40.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K436 L437 R438 | A434-K436 VanDerWaalsContact C-N 3.34Å; A434-L437 PolarHBondContact O-N 3.49Å; A434-R438 WeakPolarHBondContact O-CB 3.27Å; A434-R438 VanDerWaalsContact O-CG 3.24Å; A434-R438 WeakPolarHBondContact O-CG 3.29Å; A434-R438 PolarHBondContact O-N 3.17Å |
| 435 | D | 55.5 | Low | 50.9 | Low | 88 Ų | 88 | 124.8 Ų | 124.8 | 47% | 0.471 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -73.4 | -27.9 | 178.8 | -65.7 | -44.4 | 0 | 0 | 0 | 112.8 | R439 | D435-R439 WeakPolarHBondContact O-CD 3.42Å; D435-R439 WeakPolarHBondContact O-CG 3.39Å; D435-R439 PolarHBondContact O-N 3.45Å |
| 436 | K | 65.8 | Low | 51.5 | Low | 141 Ų | 141 | 129 Ų | 129 | 61% | 0.613 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.6 | -39.8 | 173.5 | -69.7 | 173.1 | 178.7 | 177 | 0 | 111.1 | S432 G433 A434 R439 S440 | S432-K436 WeakPolarHBondContact O-CG 3.17Å; G433-K436 PolarHBondContact O-N 3.44Å; A434-K436 VanDerWaalsContact C-N 3.34Å; K436-R439 PolarHBondContact O-N 3.13Å; K436-S440 PolarHBondContact O-N 3.24Å; K436-S440 PolarHBondContact O-OG 3.24Å |
| 437 | L | 64.9 | Low | 51.4 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 59% | 0.586 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.7 | -39.1 | 175.4 | -167 | 68.1 | 0 | 0 | 0 | 111.9 | G433 A434 R439 S440 M441 | G433-L437 WeakPolarHBondContact O-CB 3.45Å; G433-L437 PolarHBondContact O-N 3.01Å; A434-L437 PolarHBondContact O-N 3.49Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 3.46Å; L437-S440 WeakPolarHBondContact CA-OG 3.41Å; L437-S440 PolarHBondContact O-N 3.35Å; L437-S440 PolarHBondContact O-OG 3.1Å; L437-M441 WeakPolarHBondContact O-CB 3.22Å; L437-M441 PolarHBondContact O-N 3.02Å |
| 438 | R | 62.8 | Low | 51.5 | Low | 170 Ų | 170 | 124.1 Ų | 124.1 | 64% | 0.642 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.2 | -27.1 | 175.1 | -71.4 | 177.5 | 71.4 | 159 | 4.3 | 113.5 | A434 | A434-R438 WeakPolarHBondContact O-CB 3.27Å; A434-R438 VanDerWaalsContact O-CG 3.24Å; A434-R438 WeakPolarHBondContact O-CG 3.29Å; A434-R438 PolarHBondContact O-N 3.17Å |
| 439 | R | 62.7 | Low | 51.5 | Low | 209 Ų | 209 | 124.6 Ų | 124.6 | 79% | 0.789 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -84.6 | -27.1 | 174.9 | -70.1 | 172.9 | -161.6 | -89.8 | 2.7 | 112.8 | D435 K436 L437 | D435-R439 WeakPolarHBondContact O-CD 3.42Å; D435-R439 WeakPolarHBondContact O-CG 3.39Å; D435-R439 PolarHBondContact O-N 3.45Å; K436-R439 PolarHBondContact O-N 3.13Å; L437-R439 VanDerWaalsContact C-N 3.31Å; L437-R439 PolarHBondContact O-N 3.46Å |
| 440 | S | 61.8 | Low | 51.4 | Low | 81 Ų | 81 | 128.7 Ų | 128.7 | 57% | 0.566 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -86.9 | -11.9 | 176.2 | 66.5 | 0 | 0 | 0 | 0 | 114.1 | K436 L437 | K436-S440 PolarHBondContact O-N 3.24Å; K436-S440 PolarHBondContact O-OG 3.24Å; L437-S440 WeakPolarHBondContact CA-OG 3.41Å; L437-S440 PolarHBondContact O-N 3.35Å; L437-S440 PolarHBondContact O-OG 3.1Å |
| 441 | M | 59.3 | Low | 51.2 | Low | 96 Ų | 96 | 123.7 Ų | 123.7 | 47% | 0.473 | 65% | 0.652 | S | S | . | * | | | trans | -127.8 | 70.5 | 179.5 | -70.8 | -81.1 | -106.6 | 0 | 0 | 110.8 | L437 N443 L444 | L437-M441 WeakPolarHBondContact O-CB 3.22Å; L437-M441 PolarHBondContact O-N 3.02Å; M441-N443 PolarHBondContact O-N 2.9Å; M441-N443 VanDerWaalsContact O-N 3.15Å; M441-L444 HydrophobicContact CB-CD1 4.01Å; M441-L444 HydrophobicContact CE-CD1 3.12Å; M441-L444 HydrophobicContact CG-CD1 4.25Å; M441-L444 HydrophobicContact SD-CD1 3.73Å |
| 442 | P | 54.4 | Low | 50.6 | Low | 82 Ų | 82 | 118.5 Ų | 118.5 | 53% | 0.532 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -12.6 | -178.1 | 26.1 | -33.4 | 0 | 0 | 0 | 114.1 | I445 | P442-I445 WeakPolarHBondContact O-CG1 3.3Š|
| 443 | N | 50.8 | Low | 50.3 | Low | 157 Ų | 157 | 121.3 Ų | 121.3 | 84% | 0.84 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 7.1 | -174.3 | -62.7 | -28.3 | 0 | 0 | 0 | 115 | M441 | M441-N443 PolarHBondContact O-N 2.9Å; M441-N443 VanDerWaalsContact O-N 3.15Å |
| 444 | L | 52.7 | Low | 49.7 | Very low | 127 Ų | 127 | 125 Ų | 125 | 67% | 0.665 | 68% | 0.681 | S | S | * | * | | | trans | -113.1 | 11.7 | -178.2 | -84.6 | 134.6 | 0 | 0 | 0 | 114.3 | M441 R446 | M441-L444 HydrophobicContact CB-CD1 4.01Å; M441-L444 HydrophobicContact CE-CD1 3.12Å; M441-L444 HydrophobicContact CG-CD1 4.25Å; M441-L444 HydrophobicContact SD-CD1 3.73Å; L444-R446 PolarHBondContact O-N 3.42Å |
| 445 | I | 48.2 | Very low | 48.5 | Very low | 116 Ų | 116 | 128 Ų | 128 | 60% | 0.595 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -88.8 | 108 | 175.3 | 26.4 | 173.5 | 0 | 0 | 0 | 110.1 | P442 | P442-I445 WeakPolarHBondContact O-CG1 3.3Š|
| 446 | R | 45.6 | Very low | 47.8 | Very low | 229 Ų | 229 | 130.4 Ų | 130.4 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | | | trans | 64.6 | 90 | 161.5 | -169 | 175.2 | -84.3 | -162.2 | -6.1 | 115.2 | L444 P448 | L444-R446 PolarHBondContact O-N 3.42Å; R446-P448 WeakPolarHBondContact O-CD 3.46Å |
| 447 | A | 37.6 | Very low | 46.6 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | S449 | A447-S449 PolarHBondContact O-N 2.66Š|
| 448 | P | 41.7 | Very low | 44.9 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 124.1 | 167.9 | -14.5 | 28.1 | 0 | 0 | 0 | 107.9 | R446 M450 | R446-P448 WeakPolarHBondContact O-CD 3.46Å; P448-M450 PolarHBondContact O-N 2.79Å |
| 449 | S | 39.3 | Very low | 43.5 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 128.6 | 161.2 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | A447 | A447-S449 PolarHBondContact O-N 2.66Š|
| 450 | M | 38.2 | Very low | 42 | Very low | 165 Ų | 165 | 125 Ų | 125 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | -44.1 | 125.2 | 170.1 | -75.1 | -65.7 | -44.1 | 0 | 0 | 111.4 | P448 S452 | P448-M450 PolarHBondContact O-N 2.79Å; M450-S452 PolarHBondContact O-N 2.83Å |
| 451 | P | 38 | Very low | 40.4 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 125.4 | 163.2 | 27.5 | -29.3 | 0 | 0 | 0 | 109.4 | | |
| 452 | S | 34.6 | Very low | 39.7 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 146.9 | 174.4 | -66 | 0 | 0 | 0 | 0 | 112.9 | M450 | M450-S452 PolarHBondContact O-N 2.83Š|
| 453 | V | 36.2 | Very low | 38.5 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 141.3 | 175 | -179.4 | 0 | 0 | 0 | 0 | 112 | S455 | V453-S455 PolarHBondContact O-N 2.78Š|
| 454 | P | 37.9 | Very low | 37.8 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 120.6 | 172.5 | -10.1 | 25.1 | 0 | 0 | 0 | 110.4 | | |
| 455 | S | 31.2 | Very low | 37.7 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 133.3 | 169.7 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | V453 | V453-S455 PolarHBondContact O-N 2.78Š|
| 456 | V | 41.1 | Very low | 37.8 | Very low | 138 Ų | 138 | 129.1 Ų | 129.1 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 130.9 | 179.5 | -152.7 | 0 | 0 | 0 | 0 | 110.4 | C458 | V456-C458 PolarHBondContact O-N 2.81Š|
| 457 | P | 40.5 | Very low | 37.3 | Very low | 112 Ų | 112 | 123 Ų | 123 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -84.1 | 113.8 | 174.9 | 30 | -30.1 | 0 | 0 | 0 | 111.4 | L459 | P457-L459 PolarHBondContact O-N 2.85Š|
| 458 | C | 28.8 | Very low | 37.2 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 117.2 | 162 | -89.7 | 0 | 0 | 0 | 0 | 109.6 | V456 | V456-C458 PolarHBondContact O-N 2.81Š|
| 459 | L | 33.3 | Very low | 36.9 | Very low | 172 Ų | 172 | 124.5 Ų | 124.5 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 121.2 | 170.3 | -73.9 | 169.7 | 0 | 0 | 0 | 110.3 | P457 | P457-L459 PolarHBondContact O-N 2.85Š|
| 460 | A | 31.5 | Very low | 37.5 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 145.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 461 | S | 27.1 | Very low | 37.3 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 153.6 | -176.5 | -169.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 462 | P | 44.6 | Very low | 37.2 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 162.4 | 159.4 | 36 | -25.7 | 0 | 0 | 0 | 112.7 | | |
| 463 | V | 30.5 | Very low | 37.4 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 148.2 | -172.8 | 86.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 464 | N | 35.8 | Very low | 37.8 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | | | trans | -26 | 175.4 | 168.3 | -89.8 | -52.7 | 0 | 0 | 0 | 121 | | |
| 465 | P | 50.9 | Low | 38.2 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | | | cis | -141.2 | -149.3 | 20.1 | 38.6 | -12.4 | 0 | 0 | 0 | 114.9 | | |
| 466 | P | 50.1 | Low | 38.6 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | | | | -128.8 | 171.7 | -98.2 | 40.6 | -20.6 | 0 | 0 | 0 | 117 | | |
| 467 | S | 33.6 | Very low | 38.5 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | | 154.7 | 130.5 | 126.4 | 62.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 468 | N | 36.6 | Very low | 38.1 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | | | trans | 65.8 | 126.5 | 148.2 | -53 | 4.8 | 0 | 0 | 0 | 119.6 | | |
| 469 | G | 34.3 | Very low | 38.4 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | cis | 174.4 | -171.1 | 13.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 470 | P | 53.2 | Low | 38.5 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | | -121.8 | 156.8 | -99.9 | 38.7 | -28.9 | 0 | 0 | 0 | 116.1 | | |
| 471 | S | 32.7 | Very low | 38.3 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | | -176.7 | 140.1 | 126.5 | -139.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 472 | S | 36.9 | Very low | 38.4 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | 83.2 | 121.8 | 175.6 | 65.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 473 | L | 39.3 | Very low | 38.3 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | trans | -109.6 | -174.5 | -158.7 | -65.7 | 161.5 | 0 | 0 | 0 | 112.3 | | |
| 474 | P | 44.7 | Very low | 38.2 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | cis | -126.5 | 178.5 | -42.3 | 30 | -9.5 | 0 | 0 | 0 | 113.3 | | |
| 475 | P | 44.9 | Very low | 38 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -110.8 | 165.9 | -158.8 | 39.3 | -29.3 | 0 | 0 | 0 | 117.5 | | |
| 476 | M | 40.5 | Very low | 36.9 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 82% | 0.823 | 76% | 0.762 | S | S | * | * | | | trans | -14.4 | 163.6 | 168.1 | -52.5 | -69 | -81.7 | 0 | 0 | 120.6 | | |
| 477 | P | 39.3 | Very low | 36.1 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | | -144.7 | 136.9 | 96.9 | 35.1 | -17.8 | 0 | 0 | 0 | 113.8 | | |
| 478 | S | 32.5 | Very low | 36.1 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | | 36.1 | 113.8 | 97.1 | -171 | 0 | 0 | 0 | 0 | 114.6 | | |
| 479 | L | 33.7 | Very low | 36 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | | | trans | -167.2 | 131.7 | 140.1 | -88.2 | -162 | 0 | 0 | 0 | 111.6 | | |
| 480 | R | 36.6 | Very low | 36.1 | Very low | 211 Ų | 211 | 126.2 Ų | 126.2 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | | | trans | 59.8 | 122.7 | 133.1 | -77 | 172.5 | -150.6 | -113.2 | -7.3 | 119.2 | | |
| 481 | S | 26.3 | Very low | 35.6 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | | | | 75.5 | 122.6 | 62.7 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 482 | S | 29.7 | Very low | 35.9 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | 69.6 | 138.5 | 150.2 | -49.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 483 | Q | 41.2 | Very low | 35.9 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | | | | -171 | 132.8 | 64.3 | -83.6 | -166.7 | 74.3 | 0 | 0 | 105.7 | | |
| 484 | S | 29.3 | Very low | 35.8 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 56% | 0.559 | 76% | 0.759 | S | S | * | * | | | | 54.2 | 131.1 | 71 | 83.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 485 | F | 32.5 | Very low | 35.3 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | cis | -152 | 141.7 | 25.4 | -101.8 | -95.3 | 0 | 0 | 0 | 104.1 | | |
| 486 | D | 27.7 | Very low | 34.5 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | | | | 69 | 134.7 | 87.7 | -148.6 | -8.2 | 0 | 0 | 0 | 114.1 | | |
| 487 | S | 32.7 | Very low | 34.1 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | trans | 69 | 151.5 | 165.6 | -66.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 488 | S | 33.9 | Very low | 34.1 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | | | cis | -177 | 149.4 | -15.4 | -87.3 | 0 | 0 | 0 | 0 | 104.1 | | |
| 489 | S | 34.6 | Very low | 34.2 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | 41.4 | 123.1 | 147.2 | 63.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 490 | G | 35.3 | Very low | 34.5 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | | | trans | 163.8 | 96.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 491 | L | 42.6 | Very low | 34.9 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | | | trans | -54.1 | 140.3 | 173.3 | -60.5 | 165.1 | 0 | 0 | 0 | 112.5 | | |
| 492 | L | 38.5 | Very low | 35.1 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | | 162.8 | 140.4 | 113.9 | -84.4 | 165.2 | 0 | 0 | 0 | 112.4 | | |
| 493 | R | 38.1 | Very low | 35.3 | Very low | 229 Ų | 229 | 132.6 Ų | 132.6 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | | | trans | 99.7 | 88.4 | 145.9 | -150.5 | 176 | -137.6 | 130.8 | 0.9 | 118 | | |
| 494 | L | 36.9 | Very low | 34.9 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | | | | 178 | 102.3 | 126.6 | -87.5 | 167.5 | 0 | 0 | 0 | 105.5 | | |
| 495 | Q | 35.1 | Very low | 35.3 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | | | | 35 | 119.4 | 78.9 | -73.3 | -105 | -0.8 | 0 | 0 | 110.9 | | |
| 496 | S | 28.1 | Very low | 35.3 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | cis | -173.4 | 151.9 | 15.2 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 497 | S | 30.3 | Very low | 35.9 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -1.8 | 129.2 | 151.3 | -39.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 498 | I | 39.6 | Very low | 35.8 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | | | trans | 52.7 | 132.5 | 133 | -43.6 | 165.4 | 0 | 0 | 0 | 118.2 | | |
| 499 | P | 35.2 | Very low | 35.9 | Very low | 128 Ų | 128 | 143 Ų | 143 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | | -139.6 | 133.7 | 103.8 | 34 | -18.5 | 0 | 0 | 0 | 113.8 | | |
| 500 | S | 39.8 | Very low | 35.9 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | | -101.5 | 148.8 | 119.2 | 93.4 | 0 | 0 | 0 | 0 | 104.6 | | |
| 501 | P | 44.6 | Very low | 36 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | | | | -162.6 | -171.8 | 67.1 | 40.4 | -16.5 | 0 | 0 | 0 | 116.2 | | |
| 502 | V | 31.8 | Very low | 35.5 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | 76.3 | 146.5 | 136.4 | 155.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 503 | Q | 32.9 | Very low | 35.2 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | | | cis | 162.3 | 142.5 | -6.5 | -145.4 | 177 | 40.6 | 0 | 0 | 102.9 | | |
| 504 | L | 34.2 | Very low | 35.1 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 67% | 0.67 | 76% | 0.761 | S | S | * | * | | | | 148.6 | 120.4 | 104.2 | -90.4 | 158.1 | 0 | 0 | 0 | 109.5 | | |
| 505 | T | 36.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | trans | 31.8 | 133.1 | 130.4 | 60 | 0 | 0 | 0 | 0 | 122 | | |
| 506 | Q | 32.3 | Very low | 34.5 | Very low | 184 Ų | 184 | 131.6 Ų | 131.6 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | 105.7 | 102.1 | 132.2 | -142.8 | -178.1 | 60.5 | 0 | 0 | 118 | | |
| 507 | R | 39.8 | Very low | 35 | Very low | 249 Ų | 249 | 133 Ų | 133 | 94% | 0.94 | 76% | 0.755 | S | S | * | * | | | trans | -155.9 | 136.8 | 132.4 | -168.7 | 168 | -101.8 | 144.7 | -5.9 | 111.1 | | |
| 508 | V | 31.6 | Very low | 35.6 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | -92.6 | 165.3 | -170 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 509 | Q | 36.7 | Very low | 35.3 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | trans | 111.6 | 98.1 | 151.7 | -58.2 | 178.9 | 25.6 | 0 | 0 | 114.9 | | |
| 510 | S | 34.6 | Very low | 35.2 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | | 82.8 | 125.1 | 91.1 | 79.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 511 | V | 36.1 | Very low | 34.9 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | | -164.9 | 164.3 | 66.2 | -83.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 512 | G | 31.6 | Very low | 34.3 | Very low | 69 Ų | 69 | 144.1 Ų | 144.1 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | | | trans | -59.5 | 175.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 513 | N | 32.8 | Very low | 34.5 | Very low | 152 Ų | 152 | 148.2 Ų | 148.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | | -163 | 161.6 | 56.4 | -103.9 | 13.8 | 0 | 0 | 0 | 113.3 | | |
| 514 | F | 35.4 | Very low | 34.7 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -42.3 | 165.9 | 173.3 | -48.2 | -91.9 | 0 | 0 | 0 | 116.3 | | |
| 515 | S | 30.4 | Very low | 34.8 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | | | cis | -165.4 | 171.4 | 23.8 | -168.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 516 | S | 30.8 | Very low | 34.6 | Very low | 94 Ų | 94 | 144.2 Ų | 144.2 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | | | trans | -62.1 | 149.7 | -174.6 | 54.6 | 0 | 0 | 0 | 0 | 120.1 | | |
| 517 | T | 38 | Very low | 34.4 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | trans | 1.3 | 153.7 | 139.2 | 69.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 518 | P | 43.5 | Very low | 34.3 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | | -156.3 | 158.9 | 75.9 | 37.4 | -14.6 | 0 | 0 | 0 | 120.4 | | |
| 519 | R | 33.1 | Very low | 34.5 | Very low | 227 Ų | 227 | 139.8 Ų | 139.8 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | 55.9 | 121.3 | 142 | -68.5 | -176.2 | -153.3 | -128 | 4.9 | 125.3 | | |
| 520 | Q | 33.2 | Very low | 35.2 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | | 52.9 | 128.6 | 123.7 | -78.2 | -168.6 | -40.2 | 0 | 0 | 127 | | |
| 521 | Q | 33.4 | Very low | 35.2 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | trans | 66.6 | 135.8 | 131.4 | -65.8 | -170.3 | -4.4 | 0 | 0 | 123.4 | | |
| 522 | L | 32.5 | Very low | 35.2 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | | 174 | 163.8 | 111.8 | -97.3 | 137.4 | 0 | 0 | 0 | 113.8 | | |
| 523 | K | 36.1 | Very low | 35.4 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | | | trans | -127.1 | 138.5 | -164.8 | -178.6 | -179.7 | -177.2 | -179.2 | 0 | 109 | | |
| 524 | A | 36.6 | Very low | 35.4 | Very low | 85 Ų | 85 | 146.4 Ų | 146.4 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | trans | 175.2 | 120.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 525 | T | 36.3 | Very low | 35.2 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | | | | 85.3 | 122.3 | 86.6 | 66.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 526 | A | 31.3 | Very low | 36.4 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | | 87.7 | 131.1 | 127 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 527 | Y | 28.9 | Very low | 36.4 | Very low | 223 Ų | 223 | 143 Ų | 143 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | | | trans | 88.6 | 136 | 130.4 | -115.2 | -115.3 | 0 | 0 | 0 | 122.7 | | |
| 528 | V | 37.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | | | trans | 87.1 | 119.9 | 153.1 | -167.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 529 | S | 37.5 | Very low | 35.6 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 148.8 | 159.2 | -47.7 | 0 | 0 | 0 | 0 | 112 | | |
| 530 | P | 49.7 | Very low | 35.3 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 123.1 | 158.2 | 30.1 | -18.8 | 0 | 0 | 0 | 111.8 | | |
| 531 | T | 35 | Very low | 35.1 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 129.4 | 154.8 | 41 | 0 | 0 | 0 | 0 | 110.1 | | |
| 532 | V | 37.1 | Very low | 34.7 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -140.3 | 132.6 | 156.1 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 533 | Q | 34.6 | Very low | 34.6 | Very low | 192 Ų | 192 | 133.2 Ų | 133.2 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | | | trans | -107.2 | 116.7 | -174.8 | -171.2 | 156.6 | 36.2 | 0 | 0 | 108.2 | | |
| 534 | Q | 33.8 | Very low | 34.4 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | trans | -156.6 | 122.6 | 165.3 | -99.8 | 173.4 | 5.2 | 0 | 0 | 108.4 | | |
| 535 | G | 30.1 | Very low | 34.1 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | trans | -107.4 | -159.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 536 | P | 55.3 | Low | 33.7 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | cis | -123.4 | 166.6 | -36.5 | 36.5 | -22.1 | 0 | 0 | 0 | 111.2 | | |
| 537 | T | 32.1 | Very low | 34.2 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | | | trans | 160.5 | 131.8 | 137.9 | 47.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 538 | S | 31.8 | Very low | 34.3 | Very low | 98 Ų | 98 | 127.4 Ų | 127.4 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | trans | 56.1 | 105.1 | 142.9 | 61.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 539 | T | 31.8 | Very low | 34.1 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | | 29.1 | 119.8 | 120.8 | 52 | 0 | 0 | 0 | 0 | 119.6 | | |
| 540 | S | 27.8 | Very low | 34 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | | | | -162.3 | 158.2 | 116.7 | -91.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 541 | L | 29.2 | Very low | 34.2 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -86.2 | 155 | -159.8 | -76.6 | 155.3 | 0 | 0 | 0 | 113.9 | | |
| 542 | S | 25.3 | Very low | 33.9 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | 75.4 | 108.8 | 130.8 | -66.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 543 | T | 29.1 | Very low | 33.7 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | | | | 56 | 140 | 112.2 | -7.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 544 | S | 31.5 | Very low | 33.8 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | 109.3 | 143.9 | 150.4 | -48.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 545 | A | 30.5 | Very low | 33.7 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | cis | -155.7 | 179 | 20.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 546 | S | 27.9 | Very low | 34 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | cis | -167.5 | 154.6 | 23.2 | -169 | 0 | 0 | 0 | 0 | 110.7 | | |
| 547 | L | 41.5 | Very low | 33.7 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | | | trans | -94.6 | 168.2 | 171.3 | -60.5 | 163.2 | 0 | 0 | 0 | 111.3 | | |
| 548 | S | 32.8 | Very low | 33.7 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | trans | -170.1 | 150 | 145.8 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 549 | C | 31.7 | Very low | 34.3 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | | | cis | -176.3 | 160.2 | -19 | -161.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 550 | I | 36 | Very low | 34.5 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | | 149.7 | 155 | 100.3 | -67.5 | -168.7 | 0 | 0 | 0 | 107.7 | | |
| 551 | P | 54.3 | Low | 34.6 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | cis | -134.1 | 170.5 | -28.8 | 37.3 | -19 | 0 | 0 | 0 | 114.3 | | |
| 552 | S | 28.2 | Very low | 34.6 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | | -175.2 | 119.1 | 84.4 | -61.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 553 | S | 33.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | | 80.1 | 134.5 | 104.8 | -61 | 0 | 0 | 0 | 0 | 114.5 | | |
| 554 | T | 35.9 | Very low | 35 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | cis | -176.6 | 146.4 | -4.3 | 19.6 | 0 | 0 | 0 | 0 | 105.9 | | |
| 555 | A | 31.4 | Very low | 34.9 | Very low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | 140.6 | 113.4 | 137.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 556 | L | 37.3 | Very low | 35 | Very low | 160 Ų | 160 | 123.2 Ų | 123.2 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -65.7 | -166.9 | 171 | -71.2 | 86.3 | 0 | 0 | 0 | 113 | | |
| 557 | P | 47.5 | Very low | 35.4 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | | | cis | -128.1 | 152.4 | -29.6 | 10.6 | 12.5 | 0 | 0 | 0 | 113.4 | | |
| 558 | Q | 33.3 | Very low | 35.7 | Very low | 179 Ų | 179 | 121.7 Ų | 121.7 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | | | | 39.3 | 169.5 | 115.6 | -93.3 | -168.1 | -25.2 | 0 | 0 | 121.3 | | |
| 559 | P | 45.1 | Very low | 35.6 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 58% | 0.584 | 75% | 0.753 | S | S | * | * | | | cis | -145.8 | -179.7 | -22.9 | 32.4 | -9.4 | 0 | 0 | 0 | 115.7 | | |
| 560 | L | 34 | Very low | 35.5 | Very low | 136 Ų | 136 | 122.7 Ų | 122.7 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | | | trans | 98.4 | 117.6 | 144.3 | -55.3 | -177.6 | 0 | 0 | 0 | 121.8 | | |
| 561 | K | 31.3 | Very low | 35.3 | Very low | 188 Ų | 188 | 123.8 Ų | 123.8 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | | | | 65.8 | 150.6 | 126.2 | -73.5 | 178.9 | 174.9 | 174.6 | 0 | 118.2 | | |
| 562 | A | 27.9 | Very low | 34.3 | Very low | 82 Ų | 82 | 127.9 Ų | 127.9 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | cis | -177.3 | 161.2 | -12.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 563 | S | 31.3 | Very low | 34.4 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | trans | 64.9 | 122.8 | 161.9 | -72.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 564 | G | 32.6 | Very low | 34.1 | Very low | 77 Ų | 77 | 125.9 Ų | 125.9 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | | 82.8 | 132.3 | 70.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 565 | S | 28.8 | Very low | 34.1 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | cis | 178.2 | 141.2 | 22.7 | -173.6 | 0 | 0 | 0 | 0 | 105.7 | | |
| 566 | L | 32.3 | Very low | 34.2 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | 56.7 | 109.9 | 145.8 | -57.7 | 167.9 | 0 | 0 | 0 | 120.5 | | |
| 567 | L | 36.4 | Very low | 34.1 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | | | | 92.3 | 164.9 | 105.4 | -75.4 | 179.8 | 0 | 0 | 0 | 114.1 | | |
| 568 | P | 48.6 | Very low | 33.3 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | | -132.2 | -164.9 | -89.6 | 36.6 | -12.9 | 0 | 0 | 0 | 112.9 | | |
| 569 | H | 31.3 | Very low | 33.5 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | | | trans | 81.6 | 148.8 | 176.2 | -70.9 | -33.1 | 0 | 0 | 0 | 116.7 | | |
| 570 | A | 29.6 | Very low | 33.1 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | | | cis | -176.3 | 159.5 | -21.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 571 | L | 31.1 | Very low | 33.4 | Very low | 168 Ų | 168 | 126.4 Ų | 126.4 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | | | trans | 74.4 | 146.5 | 162.9 | -43.5 | 177.6 | 0 | 0 | 0 | 116.4 | | |
| 572 | K | 32.3 | Very low | 33.4 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | cis | -177 | 147.8 | -16.2 | 175.6 | 160.5 | -179.1 | 173.4 | 0 | 106.5 | | |
| 573 | A | 30.4 | Very low | 33.5 | Very low | 96 Ų | 96 | 130.6 Ų | 130.6 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | | | trans | 69 | 115.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 574 | G | 28.7 | Very low | 33.5 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | | 97.9 | 132.5 | 76.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 575 | I | 34.3 | Very low | 34 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | cis | -163.7 | 154.1 | 26.3 | -49.2 | 175.1 | 0 | 0 | 0 | 106.3 | | |
| 576 | N | 33.8 | Very low | 34.6 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | 114 | 105 | 152.4 | -67.2 | -39.4 | 0 | 0 | 0 | 120.6 | | |
| 577 | Q | 36.1 | Very low | 35.1 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | | 82.1 | 118.2 | 128.7 | -60.9 | -165.1 | 72 | 0 | 0 | 123 | | |
| 578 | S | 30.9 | Very low | 35.3 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | 87.4 | 140.4 | 138.6 | -149.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 579 | A | 35.7 | Very low | 34.3 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | trans | 89.1 | 115.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 580 | A | 38 | Very low | 34.2 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | trans | -68.3 | 161.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 581 | P | 39.4 | Very low | 34.5 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | | | cis | -131.2 | 153.3 | 38.1 | 32.8 | -12.2 | 0 | 0 | 0 | 116.2 | | |
| 582 | R | 31.2 | Very low | 34.5 | Very low | 253 Ų | 253 | 136 Ų | 136 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | | | trans | -85.9 | 127.2 | -176.9 | -63 | 175.2 | 86.1 | 164.8 | 4.3 | 111.7 | | |
| 583 | S | 31.5 | Very low | 34.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -93.8 | 142 | 153.7 | 176.9 | 0 | 0 | 0 | 0 | 110 | | |
| 584 | S | 31.6 | Very low | 34.6 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | trans | 67.1 | 129.7 | 144.7 | 72.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 585 | L | 41.2 | Very low | 34.9 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | trans | 80.3 | 147.2 | 134.9 | -73.7 | 159.1 | 0 | 0 | 0 | 119.4 | | |
| 586 | P | 43.3 | Very low | 34.8 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | | -148.1 | 158.8 | 78 | 36.2 | -14.7 | 0 | 0 | 0 | 118 | | |
| 587 | R | 41.9 | Very low | 35 | Very low | 223 Ų | 223 | 132.6 Ų | 132.6 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -81 | 168.4 | 156.7 | -70.5 | 178.8 | 168 | 174.1 | -3.8 | 109.8 | | |
| 588 | P | 40.5 | Very low | 35.6 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | | -151.5 | 137.6 | 92.9 | 42 | -23.7 | 0 | 0 | 0 | 114.1 | | |
| 589 | T | 28.6 | Very low | 35.8 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | | | | 83.8 | 156 | 98.9 | 66.1 | 0 | 0 | 0 | 0 | 117.6 | | |
| 590 | S | 28.4 | Very low | 35.6 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | 99.4 | 138.4 | 160.6 | -142.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 591 | L | 35.1 | Very low | 35.5 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | cis | -160.3 | 159.4 | 8 | -159.2 | 88.9 | 0 | 0 | 0 | 108.9 | | |
| 592 | V | 32.4 | Very low | 35.4 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -72.4 | 139.8 | 170.1 | 164.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 593 | G | 31.1 | Very low | 35.8 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | 67.6 | 124.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 594 | V | 34.1 | Very low | 36.1 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | | | trans | -162.7 | 138.8 | 133.2 | 137.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 595 | S | 33.5 | Very low | 36.5 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -62.8 | 144.4 | 174.9 | 47.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 596 | G | 32.2 | Very low | 36.2 | Very low | 79 Ų | 79 | 141.2 Ų | 141.2 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | | | trans | -178.7 | 92.2 | 162 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 597 | L | 38.8 | Very low | 36.2 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | trans | -77.8 | 173.3 | 160.4 | -107.8 | 77.3 | 0 | 0 | 0 | 109.7 | | |
| 598 | P | 47.4 | Very low | 36.1 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | cis | -130.3 | 174.1 | -14.5 | 33.7 | -14.9 | 0 | 0 | 0 | 112.6 | | |
| 599 | R | 35.4 | Very low | 36 | Very low | 246 Ų | 246 | 142.7 Ų | 142.7 | 93% | 0.928 | 82% | 0.816 | S | S | * | * | | | trans | 161.2 | 133.4 | 133.1 | -173.3 | 167.2 | -171.3 | 109.2 | -0.7 | 113.9 | | |
| 600 | A | 32.3 | Very low | 36.6 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 66% | 0.661 | 82% | 0.819 | S | S | * | * | | | trans | 77.9 | 104.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 601 | S | 34.9 | Very low | 37.3 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | | | | 82.1 | 90 | 120.8 | -44.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 602 | K | 37.6 | Very low | 37.9 | Very low | 213 Ų | 213 | 143.8 Ų | 143.8 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | | | trans | -61.8 | 125.2 | 148.4 | -84 | 174.1 | 171 | 172.3 | 0 | 109.7 | | |
| 603 | I | 40.2 | Very low | 38.5 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | | | trans | -125.3 | 127.1 | 153.5 | -69.8 | 173.8 | 0 | 0 | 0 | 108 | | |
| 604 | M | 37.9 | Very low | 39.1 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 86% | 0.862 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 143 | 178.5 | -74 | 140.5 | 49.4 | 0 | 0 | 112.9 | | |
| 605 | Q | 39.8 | Very low | 39.9 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 143.4 | 162 | -65.5 | -148.2 | -29.9 | 0 | 0 | 110.6 | | |
| 606 | P | 35.9 | Very low | 40.4 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 130.3 | -177.4 | 29.5 | -32.3 | 0 | 0 | 0 | 111.2 | R608 | P606-R608 PolarHBondContact O-N 2.73Š|
| 607 | T | 41.9 | Very low | 41.2 | Very low | 143 Ų | 143 | 151.1 Ų | 151.1 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | | | trans | -58.9 | 99.6 | 168.7 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | S609 | T607-S609 PolarHBondContact O-N 2.73Š|
| 608 | R | 41.4 | Very low | 41.5 | Very low | 238 Ų | 238 | 146.7 Ų | 146.7 | 90% | 0.898 | 80% | 0.804 | S | S | * | * | | | trans | -75.1 | 112.1 | 159 | -101.1 | -164.5 | 176.1 | -139.6 | 1.7 | 108 | P606 L610 | P606-R608 PolarHBondContact O-N 2.73Å; R608-L610 PolarHBondContact O-N 3.48Å; R608-L610 VanDerWaalsContact O-N 3.09Å |
| 609 | S | 36.6 | Very low | 41.4 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -38.9 | 109.3 | 167.5 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | T607 L611 | T607-S609 PolarHBondContact O-N 2.73Å; S609-L611 PolarHBondContact O-N 3.47Å |
| 610 | L | 41.8 | Very low | 41.8 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72 | 117.9 | 165.4 | -71.2 | 173.8 | 0 | 0 | 0 | 107.4 | R608 | R608-L610 PolarHBondContact O-N 3.48Å; R608-L610 VanDerWaalsContact O-N 3.09Å |
| 611 | L | 43.6 | Very low | 42.5 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -47 | 140.6 | 168.7 | -77.2 | 138.5 | 0 | 0 | 0 | 110.9 | S609 | S609-L611 PolarHBondContact O-N 3.47Š|
| 612 | A | 48.3 | Very low | 43 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 143.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 613 | P | 43.8 | Very low | 43.4 | Very low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 148 | 177.5 | 25.7 | -32.3 | 0 | 0 | 0 | 110.8 | K615 | P613-K615 PolarHBondContact O-N 3.38Š|
| 614 | P | 44.8 | Very low | 43.9 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.4 | 179.2 | 24.8 | -32.2 | 0 | 0 | 0 | 110.1 | S616 | P614-S616 PolarHBondContact O-N 3.33Š|
| 615 | K | 50.4 | Low | 44.2 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 130.8 | 174.7 | -71 | 168.3 | 178.6 | 156.1 | 0 | 108.9 | P613 | P613-K615 PolarHBondContact O-N 3.38Š|
| 616 | S | 43.6 | Very low | 44.8 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 151.1 | -178.7 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | P614 A618 | P614-S616 PolarHBondContact O-N 3.33Å; S616-A618 PolarHBondContact O-N 3.05Å |
| 617 | L | 47.9 | Very low | 45.3 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -57 | 17.4 | 177.4 | -91 | 166.7 | 0 | 0 | 0 | 116.1 | L620 | L617-L620 HydrophobicContact CD2-CD1 4.25Š|
| 618 | A | 45.3 | Very low | 45.6 | Very low | 76 Ų | 76 | 138.3 Ų | 138.3 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -80.8 | -15.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S616 | S616-A618 PolarHBondContact O-N 3.05Š|
| 619 | A | 45.2 | Very low | 46.2 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -85.5 | -3.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 620 | L | 45.7 | Very low | 47 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -105.2 | 0.5 | 177.4 | -66.6 | 178.8 | 0 | 0 | 0 | 114 | L617 A622 | L617-L620 HydrophobicContact CD2-CD1 4.25Å; L620-A622 PolarHBondContact O-N 2.78Å |
| 621 | S | 45.4 | Very low | 47.5 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -2.1 | 179.7 | -59.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 622 | A | 46.9 | Very low | 47.5 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 7.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L620 | L620-A622 PolarHBondContact O-N 2.78Š|
| 623 | L | 44.7 | Very low | 47.1 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -119.9 | 11.3 | 177.8 | -77.2 | 171.2 | 0 | 0 | 0 | 114.1 | | |
| 624 | R | 50.2 | Low | 47.3 | Very low | 240 Ų | 240 | 144.7 Ų | 144.7 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -102.6 | 68 | 164.1 | -73.3 | -150.5 | -147 | 175.2 | 7.2 | 109.8 | | |
| 625 | D | 44.9 | Very low | 47.4 | Very low | 151 Ų | 151 | 145.6 Ų | 145.6 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -116.7 | 104.4 | 167.1 | -139.6 | -1.9 | 0 | 0 | 0 | 109.4 | S627 | D625-S627 PolarHBondContact O-N 2.99Š|
| 626 | G | 52.7 | Low | 47.2 | Very low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | 66.6 | -11.1 | 134.8 | 0 | 0 | 0 | 0 | 0 | 123.2 | W628 | G626-W628 PolarHBondContact O-N 2.85Š|
| 627 | S | 46.9 | Very low | 47.4 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -96.5 | 58.2 | -167.3 | -170.6 | 0 | 0 | 0 | 0 | 115.7 | D625 | D625-S627 PolarHBondContact O-N 2.99Š|
| 628 | W | 47.5 | Very low | 47.4 | Very low | 243 Ų | 243 | 144.8 Ų | 144.8 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | | | trans | -135.1 | 55 | 166.5 | -66.2 | 75.2 | 0 | 0 | 0 | 111.3 | G626 | G626-W628 PolarHBondContact O-N 2.85Š|
| 629 | K | 53 | Low | 47.5 | Very low | 188 Ų | 188 | 149.3 Ų | 149.3 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | | | trans | -135.8 | 63.6 | 168.9 | -77.3 | -78.7 | 160 | -81.7 | 0 | 108.9 | | |
| 630 | D | 54.4 | Low | 47.7 | Very low | 176 Ų | 176 | 153.6 Ų | 153.6 | 94% | 0.941 | 83% | 0.827 | S | S | * | * | | | trans | -174.2 | 109 | 140.3 | -98.2 | -19.9 | 0 | 0 | 0 | 108.1 | | |
| 631 | G | 52 | Low | 47.9 | Very low | 71 Ų | 71 | 155.8 Ų | 155.8 | 73% | 0.732 | 84% | 0.841 | S | S | * | * | | | trans | -160 | 105.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 632 | C | 44.2 | Very low | 48.1 | Very low | 128 Ų | 128 | 161 Ų | 161 | 87% | 0.865 | 86% | 0.856 | S | S | * | * | | | trans | -39.6 | 135.5 | -173.5 | -53.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 633 | Y | 39.3 | Very low | 48.2 | Very low | 307 Ų | 307 | 167.4 Ų | 167.4 | 100% | 1.204 | 87% | 0.866 | S | S | * | * | | | trans | -127.8 | 0 | 141.7 | -101.5 | -83.7 | 0 | 0 | 0 | 108.2 | | |