| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.2 | Very low | 41.1 | Very low | 250 Ų | 250 | 150.8 Ų | 150.8 | 100% | 1.232 | 84% | 0.843 | S | S | * | * | 0 | 110.7 | 0 | -71.1 | -175.7 | 173.6 | 0 | 0 | 107.5 | |||||
| 2 | A | 34.8 | Very low | 41.3 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -89.9 | 154.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 3 | A | 37.7 | Very low | 41.7 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | 75.7 | 117.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 4 | K | 40.9 | Very low | 42 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | 142.6 | 103.1 | 118.3 | -82.6 | 178.5 | 174.7 | 177.2 | 0 | 111.1 | |||||
| 5 | M | 38 | Very low | 42.1 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 97% | 0.966 | 78% | 0.782 | S | S | * | * | trans | -154.6 | 71.5 | 144.8 | -79.5 | -154.3 | 153 | 0 | 0 | 108.8 | ||||
| 6 | E | 44.2 | Very low | 42.3 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | trans | -124.9 | 156.1 | 150.2 | -77.8 | -156.9 | 144.4 | 0 | 0 | 107.2 | ||||
| 7 | I | 46.2 | Very low | 43.1 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 84% | 0.841 | 73% | 0.732 | S | S | * | * | trans | 97.3 | 92.7 | -178.1 | -49.1 | 159.5 | 0 | 0 | 0 | 113.1 | ||||
| 8 | T | 42.8 | Very low | 44 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 77% | 0.767 | 73% | 0.727 | S | S | * | * | S | Bend | 178.5 | 59.6 | 129.7 | 31.9 | 0 | 0 | 0 | 0 | 110.9 | |||
| 9 | L | 40.8 | Very low | 44.7 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -133.8 | 5.2 | 166.9 | -78.7 | 172.5 | 0 | 0 | 0 | 114.3 | ||
| 10 | S | 40.9 | Very low | 45.2 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -99.4 | 0.4 | -174.1 | -55 | 0 | 0 | 0 | 0 | 115.8 | ||
| 11 | S | 45 | Very low | 46 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 59% | 0.587 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -101.4 | -12.9 | -173.7 | 45.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 12 | N | 43.7 | Very low | 47.3 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -97 | -11 | -177.3 | -80.6 | -11.5 | 0 | 0 | 0 | 114.9 | ||
| 13 | T | 46.1 | Very low | 48.7 | Very low | 98 Ų | 98 | 124 Ų | 124 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -87.3 | -30.2 | 179.4 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | S17 | T13-S17 PolarHBondContact O-N 3.31Å; T13-S17 VanDerWaalsContact O-N 3.17Å |
| 14 | E | 46.1 | Very low | 49.7 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 61% | 0.612 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.2 | -34.4 | 178.8 | -68.7 | -169.7 | 151.5 | 0 | 0 | 113.2 | S17 K18 | E14-S17 PolarHBondContact O-N 3.07Å; E14-K18 WeakPolarHBondContact O-CG 3.42Å; E14-K18 PolarHBondContact O-N 3.25Å |
| 15 | A | 43.7 | Very low | 50.6 | Low | 60 Ų | 60 | 116.8 Ų | 116.8 | 50% | 0.496 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.3 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | K18 Q19 | A15-K18 PolarHBondContact O-N 3.38Å; A15-Q19 PolarHBondContact O-N 2.84Å |
| 16 | S | 45.2 | Very low | 51.8 | Low | 67 Ų | 67 | 112.8 Ų | 112.8 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.2 | -40.7 | 173.5 | -163 | 0 | 0 | 0 | 0 | 112 | K18 Q19 E20 | S16-K18 PolarHBondContact O-N 3.39Å; S16-Q19 PolarHBondContact O-N 3.44Å; S16-E20 PolarHBondContact O-N 2.97Å |
| 17 | S | 56.1 | Low | 52.2 | Low | 35 Ų | 35 | 109.4 Ų | 109.4 | 25% | 0.245 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -66.8 | -35.6 | 177.8 | -170.4 | 0 | 0 | 0 | 0 | 113.1 | T13 E14 R21 | T13-S17 PolarHBondContact O-N 3.31Å; T13-S17 VanDerWaalsContact O-N 3.17Å; E14-S17 PolarHBondContact O-N 3.07Å; S17-R21 WeakPolarHBondContact O-CB 3.49Å; S17-R21 WeakPolarHBondContact O-CG 3.45Å; S17-R21 PolarHBondContact O-N 2.86Å; S17-R21 PolarHBondContact OG-NE 3.38Å; S17-R21 PolarHBondContact OG-NH2 3.33Å |
| 18 | K | 58.9 | Low | 52.4 | Low | 149 Ų | 149 | 107.7 Ų | 107.7 | 65% | 0.648 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.9 | -37.7 | 175.5 | -76.5 | 177.3 | -178 | 174 | 0 | 112 | E14 A15 S16 H22 | E14-K18 WeakPolarHBondContact O-CG 3.42Å; E14-K18 PolarHBondContact O-N 3.25Å; A15-K18 PolarHBondContact O-N 3.38Å; S16-K18 PolarHBondContact O-N 3.39Å; K18-H22 WeakPolarHBondContact O-CB 3.41Å; K18-H22 PolarHBondContact O-N 3.35Å |
| 19 | Q | 56.8 | Low | 52.6 | Low | 136 Ų | 136 | 109.3 Ų | 109.3 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.2 | -39 | 178 | -166.6 | 155.1 | -28.4 | 0 | 0 | 111.9 | A15 S16 H22 I23 | A15-Q19 PolarHBondContact O-N 2.84Å; S16-Q19 PolarHBondContact O-N 3.44Å; Q19-H22 PolarHBondContact O-N 3.46Å; Q19-I23 HydrophobicContact CG-CD1 4.3Å; Q19-I23 WeakPolarHBondContact O-CD1 3.15Å; Q19-I23 VanDerWaalsContact O-CG1 3.24Å; Q19-I23 WeakPolarHBondContact O-CG1 3.13Å; Q19-I23 PolarHBondContact O-N 2.91Å |
| 20 | E | 54.8 | Low | 52.9 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -44 | 172 | -77.8 | 178.4 | 153 | 0 | 0 | 112.3 | S16 H22 I23 I24 | S16-E20 PolarHBondContact O-N 2.97Å; E20-H22 VanDerWaalsContact C-N 3.3Å; E20-H22 PolarHBondContact O-N 3.4Å; E20-I23 PolarHBondContact O-N 3.5Å; E20-I24 VanDerWaalsContact O-CG1 3.3Å; E20-I24 WeakPolarHBondContact O-CG1 3.45Å; E20-I24 PolarHBondContact O-N 3.19Å |
| 21 | R | 62 | Low | 53 | Low | 174 Ų | 174 | 115.5 Ų | 115.5 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.9 | -37.1 | 175.2 | -72 | 176.1 | -149.4 | -149.1 | 4.8 | 112.2 | S17 I24 A25 | S17-R21 WeakPolarHBondContact O-CB 3.49Å; S17-R21 WeakPolarHBondContact O-CG 3.45Å; S17-R21 PolarHBondContact O-N 2.86Å; S17-R21 PolarHBondContact OG-NE 3.38Å; S17-R21 PolarHBondContact OG-NH2 3.33Å; R21-I24 PolarHBondContact O-N 3.36Å; R21-A25 VanDerWaalsContact O-CB 3.24Å; R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 3.18Å |
| 22 | H | 67.9 | Low | 52.5 | Low | 101 Ų | 101 | 113.5 Ų | 113.5 | 47% | 0.468 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70 | -33.9 | 176.6 | -171 | 70.8 | 0 | 0 | 0 | 112.5 | K18 Q19 E20 K26 | K18-H22 WeakPolarHBondContact O-CB 3.41Å; K18-H22 PolarHBondContact O-N 3.35Å; Q19-H22 PolarHBondContact O-N 3.46Å; E20-H22 VanDerWaalsContact C-N 3.3Å; E20-H22 PolarHBondContact O-N 3.4Å; H22-K26 WeakPolarHBondContact NE2-CE 3.48Å; H22-K26 PolarHBondContact NE2-NZ 3.42Å; H22-K26 VanDerWaalsContact O-CB 3.32Å; H22-K26 WeakPolarHBondContact O-CB 3.49Å; H22-K26 WeakPolarHBondContact O-CG 3.24Å; H22-K26 PolarHBondContact O-N 2.89Å |
| 23 | I | 65 | Low | 52.6 | Low | 90 Ų | 90 | 113.4 Ų | 113.4 | 46% | 0.462 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.8 | -43.2 | 173.8 | -68.7 | 163.7 | 0 | 0 | 0 | 110.5 | Q19 E20 K26 L27 | Q19-I23 HydrophobicContact CG-CD1 4.3Å; Q19-I23 WeakPolarHBondContact O-CD1 3.15Å; Q19-I23 VanDerWaalsContact O-CG1 3.24Å; Q19-I23 WeakPolarHBondContact O-CG1 3.13Å; Q19-I23 PolarHBondContact O-N 2.91Å; E20-I23 PolarHBondContact O-N 3.5Å; I23-K26 PolarHBondContact O-N 3.44Å; I23-L27 HydrophobicContact CG2-CD1 3.99Å; I23-L27 HydrophobicContact CG2-CG 4.48Å; I23-L27 WeakPolarHBondContact O-CB 3.49Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.36Å; I23-L27 PolarHBondContact O-N 3.37Å |
| 24 | I | 59.5 | Low | 52.1 | Low | 94 Ų | 94 | 114.9 Ų | 114.9 | 48% | 0.482 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.7 | -46.5 | 175.3 | -66.3 | 165.9 | 0 | 0 | 0 | 110.3 | E20 R21 K26 L27 E28 | E20-I24 VanDerWaalsContact O-CG1 3.3Å; E20-I24 WeakPolarHBondContact O-CG1 3.45Å; E20-I24 PolarHBondContact O-N 3.19Å; R21-I24 PolarHBondContact O-N 3.36Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.15Å; I24-L27 CarbonylContact O-C 3.59Å; I24-L27 WeakPolarHBondContact O-CB 3.4Å; I24-L27 PolarHBondContact O-N 2.78Å; I24-E28 HydrophobicContact CG2-CG 4.47Å; I24-E28 WeakPolarHBondContact O-CG 3.2Å; I24-E28 PolarHBondContact O-N 3.06Å |
| 25 | A | 59.3 | Low | 51.6 | Low | 45 Ų | 45 | 114.7 Ų | 114.7 | 37% | 0.372 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.1 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R21 L27 E28 E29 | R21-A25 VanDerWaalsContact O-CB 3.24Å; R21-A25 WeakPolarHBondContact O-CB 3.31Å; R21-A25 PolarHBondContact O-N 3.18Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 2.87Å; A25-E28 PolarHBondContact O-N 2.86Å; A25-E29 VanDerWaalsContact O-CB 3.31Å; A25-E29 WeakPolarHBondContact O-CB 3.5Å; A25-E29 PolarHBondContact O-N 3.32Å |
| 26 | K | 62 | Low | 51.4 | Low | 111 Ų | 111 | 121.4 Ų | 121.4 | 48% | 0.483 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70 | -26.4 | 173.8 | -86.1 | -179.4 | 165.7 | 163.4 | 0 | 113.8 | H22 I23 I24 K30 | H22-K26 WeakPolarHBondContact NE2-CE 3.48Å; H22-K26 PolarHBondContact NE2-NZ 3.42Å; H22-K26 VanDerWaalsContact O-CB 3.32Å; H22-K26 WeakPolarHBondContact O-CB 3.49Å; H22-K26 WeakPolarHBondContact O-CG 3.24Å; H22-K26 PolarHBondContact O-N 2.89Å; I23-K26 PolarHBondContact O-N 3.44Å; I24-K26 VanDerWaalsContact C-N 3.34Å; I24-K26 PolarHBondContact O-N 3.15Å; K26-K30 WeakPolarHBondContact O-CG 3.31Å; K26-K30 PolarHBondContact O-N 3.41Å |
| 27 | L | 52.7 | Low | 51.3 | Low | 113 Ų | 113 | 126 Ų | 126 | 59% | 0.592 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -77.3 | -32 | 172.5 | -71.9 | 169 | 0 | 0 | 0 | 111.4 | I23 I24 A25 | I23-L27 HydrophobicContact CG2-CD1 3.99Å; I23-L27 HydrophobicContact CG2-CG 4.48Å; I23-L27 WeakPolarHBondContact O-CB 3.49Å; I23-L27 VanDerWaalsContact O-CG 3.23Å; I23-L27 WeakPolarHBondContact O-CG 3.36Å; I23-L27 PolarHBondContact O-N 3.37Å; I24-L27 CarbonylContact O-C 3.59Å; I24-L27 WeakPolarHBondContact O-CB 3.4Å; I24-L27 PolarHBondContact O-N 2.78Å; A25-L27 VanDerWaalsContact C-N 3.34Å; A25-L27 PolarHBondContact O-N 2.87Å |
| 28 | E | 51.5 | Low | 50.6 | Low | 128 Ų | 128 | 131.3 Ų | 131.3 | 60% | 0.598 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75.8 | -36.6 | 174 | -71.1 | 178.6 | 153.5 | 0 | 0 | 112.4 | I24 A25 K30 R31 | I24-E28 HydrophobicContact CG2-CG 4.47Å; I24-E28 WeakPolarHBondContact O-CG 3.2Å; I24-E28 PolarHBondContact O-N 3.06Å; A25-E28 PolarHBondContact O-N 2.86Å; E28-K30 VanDerWaalsContact C-N 3.32Å; E28-K30 PolarHBondContact O-N 2.95Å; E28-R31 WeakPolarHBondContact O-CB 3.37Å; E28-R31 PolarHBondContact O-N 3.31Å |
| 29 | E | 47.6 | Very low | 49.9 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.9 | -27.4 | 176.6 | -164.6 | -179.1 | 168.7 | 0 | 0 | 112.4 | A25 R31 | A25-E29 VanDerWaalsContact O-CB 3.31Å; A25-E29 WeakPolarHBondContact O-CB 3.5Å; A25-E29 PolarHBondContact O-N 3.32Å; E29-R31 PolarHBondContact O-N 2.99Å |
| 30 | K | 46.8 | Very low | 49.8 | Very low | 184 Ų | 184 | 125.5 Ų | 125.5 | 80% | 0.8 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -9.2 | 169.1 | -77.7 | -175.1 | 177.6 | -175.4 | 0 | 113.6 | K26 E28 G32 | K26-K30 WeakPolarHBondContact O-CG 3.31Å; K26-K30 PolarHBondContact O-N 3.41Å; E28-K30 VanDerWaalsContact C-N 3.32Å; E28-K30 PolarHBondContact O-N 2.95Å; K30-G32 PolarHBondContact O-N 2.79Å |
| 31 | R | 43.2 | Very low | 50.6 | Low | 211 Ų | 211 | 124.7 Ų | 124.7 | 80% | 0.796 | 63% | 0.632 | S | S | * | * | trans | -85.7 | 64.4 | 163.7 | -80.3 | -178.9 | 171.1 | 177.7 | -2.1 | 109.8 | E28 E29 | E28-R31 WeakPolarHBondContact O-CB 3.37Å; E28-R31 PolarHBondContact O-N 3.31Å; E29-R31 PolarHBondContact O-N 2.99Å | ||
| 32 | G | 33.9 | Very low | 51.1 | Low | 41 Ų | 41 | 119 Ų | 119 | 42% | 0.423 | 62% | 0.618 | S | S | . | * | trans | -67.3 | 157.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112 | K30 T34 | K30-G32 PolarHBondContact O-N 2.79Å; G32-T34 PolarHBondContact O-N 3.45Å; G32-T34 VanDerWaalsContact O-N 3.08Å; G32-T34 PolarHBondContact O-OG1 3.21Å | ||
| 33 | P | 45.5 | Very low | 51.3 | Low | 138 Ų | 138 | 115.8 Ų | 115.8 | 90% | 0.896 | 60% | 0.603 | S | S | * | * | trans | -78.1 | 101 | -149.9 | 32.2 | -34 | 0 | 0 | 0 | 111.2 | ||||
| 34 | T | 34.5 | Very low | 51.9 | Low | 129 Ų | 129 | 115.8 Ų | 115.8 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | trans | -120.4 | 101.2 | 170.7 | 22.4 | 0 | 0 | 0 | 0 | 110 | G32 | G32-T34 PolarHBondContact O-N 3.45Å; G32-T34 VanDerWaalsContact O-N 3.08Å; G32-T34 PolarHBondContact O-OG1 3.21Å | ||
| 35 | L | 35.7 | Very low | 52.9 | Low | 126 Ų | 126 | 111.3 Ų | 111.3 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | trans | 68.7 | 71.5 | 156.3 | -57.9 | 169.7 | 0 | 0 | 0 | 115.7 | K37 | L35-K37 HydrophobicContact CB-CB 4.47Å; L35-K37 HydrophobicContact CD2-CB 4.43Å; L35-K37 HydrophobicContact CD2-CD 3.74Å; L35-K37 HydrophobicContact CD2-CG 3.83Å; L35-K37 PolarHBondContact O-N 2.89Å | ||
| 36 | Q | 40.9 | Very low | 54 | Low | 202 Ų | 202 | 110.1 Ų | 110.1 | 94% | 0.944 | 57% | 0.567 | S | S | * | * | trans | -60.5 | 76.3 | 132.4 | -169.4 | 170.9 | 4.7 | 0 | 0 | 108.4 | ||||
| 37 | K | 43.3 | Very low | 54.8 | Low | 164 Ų | 164 | 107.6 Ų | 107.6 | 71% | 0.713 | 56% | 0.557 | S | S | * | * | trans | -120.4 | 93.7 | 163.6 | -82.3 | -166.1 | -173.7 | 173.9 | 0 | 107.1 | L35 | L35-K37 HydrophobicContact CB-CB 4.47Å; L35-K37 HydrophobicContact CD2-CB 4.43Å; L35-K37 HydrophobicContact CD2-CD 3.74Å; L35-K37 HydrophobicContact CD2-CG 3.83Å; L35-K37 PolarHBondContact O-N 2.89Å | ||
| 38 | N | 41.7 | Very low | 56.2 | Low | 146 Ų | 146 | 104.5 Ų | 104.5 | 78% | 0.781 | 55% | 0.545 | S | S | * | . | trans | 51.3 | 81.4 | 168.1 | -59.1 | -18.9 | 0 | 0 | 0 | 113.8 | P40 | N38-P40 WeakPolarHBondContact O-CD 3.33Å; N38-P40 VanDerWaalsContact O-N 3.11Å | ||
| 39 | C | 42.8 | Very low | 57.8 | Low | 118 Ų | 118 | 101.1 Ų | 101.1 | 80% | 0.797 | 53% | 0.528 | S | S | * | . | trans | -62.1 | 110.4 | 154.5 | -87.1 | 0 | 0 | 0 | 0 | 106.6 | D41 | C39-D41 PolarHBondContact O-N 2.97Š| ||
| 40 | P | 55.3 | Low | 59.2 | Low | 45 Ų | 45 | 98.4 Ų | 98.4 | 29% | 0.292 | 51% | 0.511 | S | S | . | . | trans | -65.8 | 134.9 | 168.5 | 2.7 | 15.5 | 0 | 0 | 0 | 105.6 | N38 L44 C45 | N38-P40 WeakPolarHBondContact O-CD 3.33Å; N38-P40 VanDerWaalsContact O-N 3.11Å; P40-L44 HydrophobicContact CB-CD2 4.18Å; P40-C45 VanDerWaalsContact CB-SG 3.5Å; P40-C45 WeakPolarHBondContact CG-SG 3.46Å; P40-C45 PolarHBondContact O-SG 3.31Å; P40-C45 VanDerWaalsContact O-SG 3.38Å | ||
| 41 | D | 71.7 | Confident | 60.8 | Low | 98 Ų | 98 | 97.4 Ų | 97.4 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | trans | -35.3 | 126.5 | 170.7 | 171.2 | 10.9 | 0 | 0 | 0 | 109.8 | C39 E43 L44 C45 | C39-D41 PolarHBondContact O-N 2.97Å; D41-E43 PolarHBondContact O-N 3.45Å; D41-E43 WeakPolarHBondContact OD1-CB 3.47Å; D41-E43 PolarHBondContact OD1-N 3.24Å; D41-E43 VanDerWaalsContact OD1-N 3.13Å; D41-L44 HydrophobicContact CB-CB 3.95Å; D41-L44 CarbonylContact O-C 3.59Å; D41-L44 WeakPolarHBondContact O-CA 3.37Å; D41-L44 VanDerWaalsContact O-CB 3.31Å; D41-L44 WeakPolarHBondContact O-CB 3.38Å; D41-L44 PolarHBondContact O-N 3.4Å; D41-C45 PolarHBondContact O-N 3.2Å | ||
| 42 | P | 71.1 | Confident | 62.8 | Low | 56 Ų | 56 | 89.5 Ų | 89.5 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -50.7 | -30.4 | -179.2 | -28.6 | 34.8 | 0 | 0 | 0 | 112.8 | C45 R46 | P42-C45 PolarHBondContact O-N 2.84Å; P42-R46 WeakPolarHBondContact O-CB 3.35Å; P42-R46 PolarHBondContact O-N 3.04Å |
| 43 | E | 72.4 | Confident | 65 | Low | 33 Ų | 33 | 89.4 Ų | 89.4 | 15% | 0.154 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 173.9 | 179.8 | 53.3 | -149.3 | 0 | 0 | 112.6 | D41 R46 Q47 | D41-E43 PolarHBondContact O-N 3.45Å; D41-E43 WeakPolarHBondContact OD1-CB 3.47Å; D41-E43 PolarHBondContact OD1-N 3.24Å; D41-E43 VanDerWaalsContact OD1-N 3.13Å; E43-R46 VanDerWaalsContact CD-NH2 3.31Å; E43-R46 WeakPolarHBondContact O-CB 3.5Å; E43-R46 PolarHBondContact O-N 3.07Å; E43-R46 IonicContact OE1-CZ 3.61Å; E43-R46 IonicContact OE1-NE 2.81Å; E43-R46 PolarHBondContact OE1-NE 3.38Å; E43-R46 IonicContact OE1-NH2 3.08Å; E43-R46 PolarHBondContact OE1-NH2 3.37Å; E43-R46 IonicContact OE2-CZ 3Å; E43-R46 VanDerWaalsContact OE2-CZ 3.32Å; E43-R46 IonicContact OE2-NE 2.64Å; E43-R46 PolarHBondContact OE2-NE 3.38Å; E43-R46 IonicContact OE2-NH2 3.71Å; E43-R46 PolarHBondContact OE2-NH2 2.96Å; E43-R46 VanDerWaalsContact OE2-NH2 3.12Å; E43-Q47 WeakPolarHBondContact O-CB 3.48Å; E43-Q47 VanDerWaalsContact O-CG 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.3Å; E43-Q47 PolarHBondContact O-N 3.46Å; E43-Q47 PolarHBondContact OE1-NE2 3.17Å |
| 44 | L | 78.6 | Confident | 66.5 | Low | 89 Ų | 89 | 89.4 Ų | 89.4 | 47% | 0.466 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 172.5 | -175.7 | 64 | 0 | 0 | 0 | 111.6 | P40 D41 Q47 S48 | P40-L44 HydrophobicContact CB-CD2 4.18Å; D41-L44 HydrophobicContact CB-CB 3.95Å; D41-L44 CarbonylContact O-C 3.59Å; D41-L44 WeakPolarHBondContact O-CA 3.37Å; D41-L44 VanDerWaalsContact O-CB 3.31Å; D41-L44 WeakPolarHBondContact O-CB 3.38Å; D41-L44 PolarHBondContact O-N 3.4Å; L44-Q47 PolarHBondContact O-N 3.34Å; L44-S48 WeakPolarHBondContact O-CB 3.49Å; L44-S48 PolarHBondContact O-N 2.9Å; L44-S48 PolarHBondContact O-OG 3.05Å |
| 45 | C | 79.4 | Confident | 68.3 | Low | 1 Ų | 1 | 91.8 Ų | 91.8 | 1% | 0.007 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62 | -46.1 | 173.4 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | P40 D41 P42 Q47 S48 F49 Q73 W74 | P40-C45 VanDerWaalsContact CB-SG 3.5Å; P40-C45 WeakPolarHBondContact CG-SG 3.46Å; P40-C45 PolarHBondContact O-SG 3.31Å; P40-C45 VanDerWaalsContact O-SG 3.38Å; D41-C45 PolarHBondContact O-N 3.2Å; P42-C45 PolarHBondContact O-N 2.84Å; C45-Q47 VanDerWaalsContact C-N 3.34Å; C45-Q47 PolarHBondContact O-N 3.2Å; C45-S48 PolarHBondContact O-N 3.33Å; C45-F49 WeakPolarHBondContact O-CB 3.25Å; C45-F49 PolarHBondContact O-N 3.45Å; C45-Q73 HydrophobicContact CB-CB 4.25Å; C45-W74 HydrophobicContact CB-CB 4.07Å |
| 46 | R | 83.1 | Confident | 69.7 | Low | 20 Ų | 20 | 93.3 Ų | 93.3 | 8% | 0.075 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 175.1 | -171.5 | 179.4 | 77.7 | 99.4 | -3.6 | 112 | P42 E43 F49 R50 W74 | P42-R46 WeakPolarHBondContact O-CB 3.35Å; P42-R46 PolarHBondContact O-N 3.04Å; E43-R46 VanDerWaalsContact CD-NH2 3.31Å; E43-R46 WeakPolarHBondContact O-CB 3.5Å; E43-R46 PolarHBondContact O-N 3.07Å; E43-R46 IonicContact OE1-CZ 3.61Å; E43-R46 IonicContact OE1-NE 2.81Å; E43-R46 PolarHBondContact OE1-NE 3.38Å; E43-R46 IonicContact OE1-NH2 3.08Å; E43-R46 PolarHBondContact OE1-NH2 3.37Å; E43-R46 IonicContact OE2-CZ 3Å; E43-R46 VanDerWaalsContact OE2-CZ 3.32Å; E43-R46 IonicContact OE2-NE 2.64Å; E43-R46 PolarHBondContact OE2-NE 3.38Å; E43-R46 IonicContact OE2-NH2 3.71Å; E43-R46 PolarHBondContact OE2-NH2 2.96Å; E43-R46 VanDerWaalsContact OE2-NH2 3.12Å; R46-F49 PolarHBondContact O-N 3.32Å; R46-R50 WeakPolarHBondContact O-CB 3.22Å; R46-R50 PolarHBondContact O-N 2.9Å; R46-W74 HydrophobicContact CB-CD2 4.11Å; R46-W74 HydrophobicContact CB-CG 3.85Å; R46-W74 HydrophobicContact CG-CD2 3.94Å; R46-W74 VanDerWaalsContact CG-CE2 3.5Å; R46-W74 HydrophobicContact CG-CG 4.22Å; R46-W74 HydrophobicContact CG-CZ2 3.87Å |
| 47 | Q | 78.3 | Confident | 71.7 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 27% | 0.271 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 178.2 | -75.5 | -176 | 39.3 | 0 | 0 | 112.6 | E43 L44 C45 R50 R51 | E43-Q47 WeakPolarHBondContact O-CB 3.48Å; E43-Q47 VanDerWaalsContact O-CG 3.28Å; E43-Q47 WeakPolarHBondContact O-CG 3.3Å; E43-Q47 PolarHBondContact O-N 3.46Å; E43-Q47 PolarHBondContact OE1-NE2 3.17Å; L44-Q47 PolarHBondContact O-N 3.34Å; C45-Q47 VanDerWaalsContact C-N 3.34Å; C45-Q47 PolarHBondContact O-N 3.2Å; Q47-R50 PolarHBondContact O-N 3.42Å; Q47-R51 WeakPolarHBondContact O-CB 3.12Å; Q47-R51 WeakPolarHBondContact O-CG 3.47Å; Q47-R51 PolarHBondContact O-N 3.46Å |
| 48 | S | 82.2 | Confident | 73.3 | Confident | 48 Ų | 48 | 83 Ų | 83 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 176.2 | -58.2 | 0 | 0 | 0 | 0 | 111 | L44 C45 R50 R51 F52 | L44-S48 WeakPolarHBondContact O-CB 3.49Å; L44-S48 PolarHBondContact O-N 2.9Å; L44-S48 PolarHBondContact O-OG 3.05Å; C45-S48 PolarHBondContact O-N 3.33Å; S48-R50 VanDerWaalsContact C-N 3.33Å; S48-R50 PolarHBondContact O-N 3.21Å; S48-R51 CarbonylContact O-C 3.58Å; S48-R51 PolarHBondContact O-N 3.39Å; S48-F52 PolarHBondContact O-N 2.86Å |
| 49 | F | 84.8 | Confident | 75.4 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 25% | 0.25 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.1 | -44.8 | 172.2 | -178.1 | -99.7 | 0 | 0 | 0 | 111.6 | C45 R46 R51 F52 L67 L70 C71 W74 | C45-F49 WeakPolarHBondContact O-CB 3.25Å; C45-F49 PolarHBondContact O-N 3.45Å; R46-F49 PolarHBondContact O-N 3.32Å; F49-R51 VanDerWaalsContact C-N 3.33Å; F49-R51 PolarHBondContact O-N 3.33Å; F49-F52 WeakPolarHBondContact O-CB 3.44Å; F49-F52 PolarHBondContact O-N 3.3Å; F49-L67 HydrophobicContact CD2-CD2 3.81Å; F49-L67 HydrophobicContact CE2-CB 4.35Å; F49-L67 HydrophobicContact CE2-CD2 3.58Å; F49-L67 HydrophobicContact CZ-CD2 4.47Å; F49-L70 HydrophobicContact CB-CB 4.23Å; F49-L70 HydrophobicContact CD2-CB 4.1Å; F49-C71 WeakPolarHBondContact CE2-SG 3.31Å; F49-C71 VanDerWaalsContact CZ-SG 3.53Å; F49-W74 HydrophobicContact CD1-CE3 4.18Å; F49-W74 HydrophobicContact CD1-CZ3 4.05Å; F49-W74 HydrophobicContact CE1-CZ3 4.24Å; F49-W74 HydrophobicContact CG-CE3 4.47Å |
| 50 | R | 78.3 | Confident | 77.3 | Confident | 102 Ų | 102 | 75 Ų | 75 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.9 | -34 | 178.1 | -177.3 | 179.4 | 174 | 178.7 | 5.5 | 113.4 | R46 Q47 S48 | R46-R50 WeakPolarHBondContact O-CB 3.22Å; R46-R50 PolarHBondContact O-N 2.9Å; Q47-R50 PolarHBondContact O-N 3.42Å; S48-R50 VanDerWaalsContact C-N 3.33Å; S48-R50 PolarHBondContact O-N 3.21Å |
| 51 | R | 80.9 | Confident | 78.8 | Confident | 164 Ų | 164 | 79.7 Ų | 79.7 | 62% | 0.619 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -95.3 | 1.2 | -176.9 | -69.2 | -177 | 178.2 | 114.8 | -3.9 | 113.4 | Q47 S48 F49 C53 | Q47-R51 WeakPolarHBondContact O-CB 3.12Å; Q47-R51 WeakPolarHBondContact O-CG 3.47Å; Q47-R51 PolarHBondContact O-N 3.46Å; S48-R51 CarbonylContact O-C 3.58Å; S48-R51 PolarHBondContact O-N 3.39Å; F49-R51 VanDerWaalsContact C-N 3.33Å; F49-R51 PolarHBondContact O-N 3.33Å; R51-C53 PolarHBondContact O-N 3.46Å |
| 52 | F | 85 | Confident | 79.4 | Confident | 44 Ų | 44 | 79.2 Ų | 79.2 | 19% | 0.193 | 40% | 0.395 | C | S | . | . | trans | -54.1 | 123.9 | -177.5 | -178.1 | -92.7 | 0 | 0 | 0 | 111.3 | S48 F49 V57 A63 Q66 L67 L70 | S48-F52 PolarHBondContact O-N 2.86Å; F49-F52 WeakPolarHBondContact O-CB 3.44Å; F49-F52 PolarHBondContact O-N 3.3Å; F52-V57 HydrophobicContact CE2-CG1 4.19Å; F52-V57 HydrophobicContact CZ-CG1 3.83Å; F52-V57 HydrophobicContact CZ-CG2 4.08Å; F52-A63 HydrophobicContact CE1-CB 4.27Å; F52-A63 HydrophobicContact CZ-CB 4.18Å; F52-Q66 HydrophobicContact CE2-CB 3.95Å; F52-Q66 HydrophobicContact CZ-CB 4.47Å; F52-L67 HydrophobicContact CB-CD2 3.8Å; F52-L67 HydrophobicContact CD1-CD1 3.97Å; F52-L67 HydrophobicContact CD1-CD2 3.53Å; F52-L67 HydrophobicContact CD1-CG 3.74Å; F52-L67 HydrophobicContact CD2-CD2 4.12Å; F52-L67 HydrophobicContact CD2-CG 4.37Å; F52-L67 HydrophobicContact CE1-CD1 3.9Å; F52-L67 HydrophobicContact CE1-CD2 4.14Å; F52-L67 HydrophobicContact CE1-CG 3.81Å; F52-L67 HydrophobicContact CE2-CG 4.43Å; F52-L67 HydrophobicContact CG-CD2 3.52Å; F52-L67 HydrophobicContact CG-CG 4.04Å; F52-L67 HydrophobicContact CZ-CG 4.17Å; F52-L70 HydrophobicContact CD2-CD1 4.18Å | ||
| 53 | C | 78.8 | Confident | 80.1 | Confident | 40 Ų | 40 | 76.8 Ų | 76.8 | 27% | 0.27 | 38% | 0.38 | S | S | . | . | trans | -115.3 | 126.5 | -177.7 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | R51 Q55 E56 | R51-C53 PolarHBondContact O-N 3.46Å; C53-Q55 PolarHBondContact O-N 3Å; C53-E56 HydrophobicContact CB-CG 4.49Å; C53-E56 PolarHBondContact O-N 3.34Å; C53-E56 VanDerWaalsContact O-N 3.14Å | ||
| 54 | Y | 77.2 | Confident | 80.8 | Confident | 137 Ų | 137 | 79.5 Ų | 79.5 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -61.8 | -16.8 | 178.5 | -164.8 | -90.4 | 0 | 0 | 0 | 113.2 | E56 V57 P60 A63 | Y54-E56 PolarHBondContact O-N 3.05Å; Y54-V57 HydrophobicContact CD2-CG2 4.18Å; Y54-V57 HydrophobicContact CG-CG2 4.28Å; Y54-V57 WeakPolarHBondContact O-CG2 3.49Å; Y54-V57 PolarHBondContact O-N 3.33Å; Y54-P60 WeakPolarHBondContact OH-CA 2.91Å; Y54-P60 WeakPolarHBondContact OH-CB 3.28Å; Y54-P60 WeakPolarHBondContact OH-CD 3.39Å; Y54-A63 HydrophobicContact CD2-CB 3.87Å; Y54-A63 HydrophobicContact CE2-CB 3.69Å |
| 55 | Q | 71.8 | Confident | 81.2 | Confident | 180 Ų | 180 | 78.3 Ų | 78.3 | 84% | 0.841 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -69 | -18.4 | 178.6 | -64 | 169.4 | 3.7 | 0 | 0 | 112.9 | C53 | C53-Q55 PolarHBondContact O-N 3Š|
| 56 | E | 67.1 | Low | 81.5 | Confident | 157 Ų | 157 | 81.6 Ų | 81.6 | 73% | 0.734 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -92.6 | -1.1 | -176.8 | -62.3 | 178.9 | 174.8 | 0 | 0 | 113.2 | C53 Y54 | C53-E56 HydrophobicContact CB-CG 4.49Å; C53-E56 PolarHBondContact O-N 3.34Å; C53-E56 VanDerWaalsContact O-N 3.14Å; Y54-E56 PolarHBondContact O-N 3.05Å |
| 57 | V | 81.2 | Confident | 81.7 | Confident | 15 Ų | 15 | 82.9 Ų | 82.9 | 9% | 0.091 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -121.7 | 134.7 | -174.1 | -75.1 | 0 | 0 | 0 | 0 | 112.6 | F52 Y54 G59 E62 A63 Q66 | F52-V57 HydrophobicContact CE2-CG1 4.19Å; F52-V57 HydrophobicContact CZ-CG1 3.83Å; F52-V57 HydrophobicContact CZ-CG2 4.08Å; Y54-V57 HydrophobicContact CD2-CG2 4.18Å; Y54-V57 HydrophobicContact CG-CG2 4.28Å; Y54-V57 WeakPolarHBondContact O-CG2 3.49Å; Y54-V57 PolarHBondContact O-N 3.33Å; V57-G59 PolarHBondContact O-N 3.13Å; V57-G59 VanDerWaalsContact O-N 3.12Å; V57-E62 HydrophobicContact CB-CG 4.48Å; V57-E62 HydrophobicContact CG1-CG 4.33Å; V57-A63 HydrophobicContact CB-CB 4.42Å; V57-A63 HydrophobicContact CG2-CB 3.71Å; V57-Q66 VanDerWaalsContact CG1-OE1 3.23Å |
| 58 | S | 77.9 | Confident | 82.1 | Confident | 134 Ų | 134 | 88.8 Ų | 88.8 | 94% | 0.937 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -69.3 | -8 | -175.4 | -49.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 59 | G | 85.1 | Confident | 82.4 | Confident | 16 Ų | 16 | 91.2 Ų | 91.2 | 17% | 0.165 | 44% | 0.443 | C | S | . | . | S | Bend | trans | 179.2 | 172.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | V57 Q61 E62 A63 | V57-G59 PolarHBondContact O-N 3.13Å; V57-G59 VanDerWaalsContact O-N 3.12Å; G59-Q61 PolarHBondContact O-N 3.4Å; G59-E62 PolarHBondContact O-N 3.24Å; G59-A63 PolarHBondContact O-N 2.68Å |
| 60 | P | 83.9 | Confident | 82.5 | Confident | 80 Ų | 80 | 90 Ų | 90 | 52% | 0.519 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.6 | -32.6 | -171.9 | 25.4 | -33.6 | 0 | 0 | 0 | 113.9 | Y54 L64 | Y54-P60 WeakPolarHBondContact OH-CA 2.91Å; Y54-P60 WeakPolarHBondContact OH-CB 3.28Å; Y54-P60 WeakPolarHBondContact OH-CD 3.39Å; P60-L64 WeakPolarHBondContact O-CG 3.34Å; P60-L64 PolarHBondContact O-N 3.19Å |
| 61 | Q | 85.3 | Confident | 82.9 | Confident | 144 Ų | 144 | 86.9 Ų | 86.9 | 67% | 0.673 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -68.7 | -43.5 | 175.8 | -75.2 | -66.7 | -37.7 | 0 | 0 | 111.1 | G59 A63 L64 S65 | G59-Q61 PolarHBondContact O-N 3.4Å; Q61-A63 VanDerWaalsContact C-N 3.34Å; Q61-A63 PolarHBondContact O-N 2.71Å; Q61-L64 PolarHBondContact O-N 3.33Å; Q61-S65 PolarHBondContact O-N 3.44Å; Q61-S65 PolarHBondContact O-OG 3.18Å; Q61-S65 VanDerWaalsContact O-OG 3.13Å |
| 62 | E | 84.8 | Confident | 83.2 | Confident | 89 Ų | 89 | 86.8 Ų | 86.8 | 42% | 0.416 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 176.8 | -173 | 57.2 | -153.4 | 0 | 0 | 111.1 | V57 G59 L64 S65 Q66 | V57-E62 HydrophobicContact CB-CG 4.48Å; V57-E62 HydrophobicContact CG1-CG 4.33Å; G59-E62 PolarHBondContact O-N 3.24Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3.43Å; E62-S65 PolarHBondContact O-N 3.07Å; E62-Q66 WeakPolarHBondContact O-CG 3.42Å; E62-Q66 PolarHBondContact O-N 2.68Å; E62-Q66 PolarHBondContact OE1-NE2 3.08Å |
| 63 | A | 85.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 87.6 Ų | 87.6 | 3% | 0.033 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -55.7 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F52 Y54 V57 G59 Q61 L67 | F52-A63 HydrophobicContact CE1-CB 4.27Å; F52-A63 HydrophobicContact CZ-CB 4.18Å; Y54-A63 HydrophobicContact CD2-CB 3.87Å; Y54-A63 HydrophobicContact CE2-CB 3.69Å; V57-A63 HydrophobicContact CB-CB 4.42Å; V57-A63 HydrophobicContact CG2-CB 3.71Å; G59-A63 PolarHBondContact O-N 2.68Å; Q61-A63 VanDerWaalsContact C-N 3.34Å; Q61-A63 PolarHBondContact O-N 2.71Å; A63-L67 WeakPolarHBondContact O-CB 3.23Å; A63-L67 VanDerWaalsContact O-CG 3.29Å; A63-L67 WeakPolarHBondContact O-CG 3.4Å; A63-L67 PolarHBondContact O-N 3.06Å |
| 64 | L | 87.1 | Confident | 83.6 | Confident | 91 Ų | 91 | 86.2 Ų | 86.2 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68 | -39 | 178.8 | -71.5 | 174.2 | 0 | 0 | 0 | 112.3 | P60 Q61 E62 R68 | P60-L64 WeakPolarHBondContact O-CG 3.34Å; P60-L64 PolarHBondContact O-N 3.19Å; Q61-L64 PolarHBondContact O-N 3.33Å; E62-L64 VanDerWaalsContact C-N 3.33Å; E62-L64 PolarHBondContact O-N 3.43Å; L64-R68 VanDerWaalsContact O-CB 3.31Å; L64-R68 WeakPolarHBondContact O-CB 3.49Å; L64-R68 WeakPolarHBondContact O-CG 3.48Å; L64-R68 PolarHBondContact O-N 2.8Å |
| 65 | S | 87.4 | Confident | 84 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | Q61 E62 R68 Q69 | Q61-S65 PolarHBondContact O-N 3.44Å; Q61-S65 PolarHBondContact O-OG 3.18Å; Q61-S65 VanDerWaalsContact O-OG 3.13Å; E62-S65 PolarHBondContact O-N 3.07Å; S65-R68 PolarHBondContact O-N 2.88Å; S65-Q69 PolarHBondContact O-N 2.85Å |
| 66 | Q | 85.9 | Confident | 84.7 | Confident | 70 Ų | 70 | 74.6 Ų | 74.6 | 33% | 0.327 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | 177.9 | -69 | -175 | 15.4 | 0 | 0 | 112.3 | F52 V57 E62 R68 Q69 L70 | F52-Q66 HydrophobicContact CE2-CB 3.95Å; F52-Q66 HydrophobicContact CZ-CB 4.47Å; V57-Q66 VanDerWaalsContact CG1-OE1 3.23Å; E62-Q66 WeakPolarHBondContact O-CG 3.42Å; E62-Q66 PolarHBondContact O-N 2.68Å; E62-Q66 PolarHBondContact OE1-NE2 3.08Å; Q66-R68 VanDerWaalsContact C-N 3.32Å; Q66-R68 PolarHBondContact O-N 2.93Å; Q66-Q69 PolarHBondContact O-N 3.19Å; Q66-L70 WeakPolarHBondContact O-CG 3.41Å; Q66-L70 PolarHBondContact O-N 2.99Å |
| 67 | L | 87.4 | Confident | 85.5 | Confident | 46 Ų | 46 | 70 Ų | 70 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 174.6 | -77.8 | 169.5 | 0 | 0 | 0 | 111.8 | F49 F52 A63 Q69 L70 C71 | F49-L67 HydrophobicContact CD2-CD2 3.81Å; F49-L67 HydrophobicContact CE2-CB 4.35Å; F49-L67 HydrophobicContact CE2-CD2 3.58Å; F49-L67 HydrophobicContact CZ-CD2 4.47Å; F52-L67 HydrophobicContact CB-CD2 3.8Å; F52-L67 HydrophobicContact CD1-CD1 3.97Å; F52-L67 HydrophobicContact CD1-CD2 3.53Å; F52-L67 HydrophobicContact CD1-CG 3.74Å; F52-L67 HydrophobicContact CD2-CD2 4.12Å; F52-L67 HydrophobicContact CD2-CG 4.37Å; F52-L67 HydrophobicContact CE1-CD1 3.9Å; F52-L67 HydrophobicContact CE1-CD2 4.14Å; F52-L67 HydrophobicContact CE1-CG 3.81Å; F52-L67 HydrophobicContact CE2-CG 4.43Å; F52-L67 HydrophobicContact CG-CD2 3.52Å; F52-L67 HydrophobicContact CG-CG 4.04Å; F52-L67 HydrophobicContact CZ-CG 4.17Å; A63-L67 WeakPolarHBondContact O-CB 3.23Å; A63-L67 VanDerWaalsContact O-CG 3.29Å; A63-L67 WeakPolarHBondContact O-CG 3.4Å; A63-L67 PolarHBondContact O-N 3.06Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 3.21Å; L67-C71 WeakPolarHBondContact O-CB 3.43Å; L67-C71 PolarHBondContact O-N 3.05Å; L67-C71 PolarHBondContact O-SG 3.25Å; L67-C71 VanDerWaalsContact O-SG 3.34Å |
| 68 | R | 87.4 | Confident | 85.7 | Confident | 182 Ų | 182 | 75.5 Ų | 75.5 | 69% | 0.687 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.3 | -40.6 | 175.6 | -80.1 | 173.9 | 174.2 | -164.8 | -1 | 112 | L64 S65 Q66 C71 R72 | L64-R68 VanDerWaalsContact O-CB 3.31Å; L64-R68 WeakPolarHBondContact O-CB 3.49Å; L64-R68 WeakPolarHBondContact O-CG 3.48Å; L64-R68 PolarHBondContact O-N 2.8Å; S65-R68 PolarHBondContact O-N 2.88Å; Q66-R68 VanDerWaalsContact C-N 3.32Å; Q66-R68 PolarHBondContact O-N 2.93Å; R68-C71 PolarHBondContact O-N 3.15Å; R68-R72 WeakPolarHBondContact O-CG 3.46Å; R68-R72 PolarHBondContact O-N 2.92Å |
| 69 | Q | 88.4 | Confident | 85.7 | Confident | 99 Ų | 99 | 75.1 Ų | 75.1 | 46% | 0.463 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 178 | -175.1 | 62.1 | 13.3 | 0 | 0 | 111.4 | S65 Q66 L67 C71 R72 Q73 | S65-Q69 PolarHBondContact O-N 2.85Å; Q66-Q69 PolarHBondContact O-N 3.19Å; L67-Q69 VanDerWaalsContact C-N 3.32Å; L67-Q69 PolarHBondContact O-N 3.32Å; Q69-C71 VanDerWaalsContact C-N 3.34Å; Q69-C71 PolarHBondContact O-N 3.21Å; Q69-R72 PolarHBondContact O-N 3.45Å; Q69-Q73 WeakPolarHBondContact O-CG 3.38Å; Q69-Q73 PolarHBondContact O-N 3.1Å |
| 70 | L | 86.9 | Confident | 85.7 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 175.4 | -70.3 | 173 | 0 | 0 | 0 | 111.9 | F49 F52 Q66 L67 Q73 W74 | F49-L70 HydrophobicContact CB-CB 4.23Å; F49-L70 HydrophobicContact CD2-CB 4.1Å; F52-L70 HydrophobicContact CD2-CD1 4.18Å; Q66-L70 WeakPolarHBondContact O-CG 3.41Å; Q66-L70 PolarHBondContact O-N 2.99Å; L67-L70 PolarHBondContact O-N 3.21Å; L70-Q73 PolarHBondContact O-N 3.06Å; L70-W74 VanDerWaalsContact O-CB 3.3Å; L70-W74 WeakPolarHBondContact O-CB 3.24Å; L70-W74 PolarHBondContact O-N 3.49Å |
| 71 | C | 87.1 | Confident | 85.9 | Confident | 37 Ų | 37 | 76.8 Ų | 76.8 | 25% | 0.25 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 173.3 | -80 | 0 | 0 | 0 | 0 | 112.4 | F49 L67 R68 Q69 W74 L75 | F49-C71 WeakPolarHBondContact CE2-SG 3.31Å; F49-C71 VanDerWaalsContact CZ-SG 3.53Å; L67-C71 WeakPolarHBondContact O-CB 3.43Å; L67-C71 PolarHBondContact O-N 3.05Å; L67-C71 PolarHBondContact O-SG 3.25Å; L67-C71 VanDerWaalsContact O-SG 3.34Å; R68-C71 PolarHBondContact O-N 3.15Å; Q69-C71 VanDerWaalsContact C-N 3.34Å; Q69-C71 PolarHBondContact O-N 3.21Å; C71-W74 PolarHBondContact O-N 3.25Å; C71-L75 WeakPolarHBondContact O-CB 3.39Å; C71-L75 WeakPolarHBondContact O-CG 3.43Å; C71-L75 PolarHBondContact O-N 3Å |
| 72 | R | 86.3 | Confident | 86.1 | Confident | 162 Ų | 162 | 78 Ų | 78 | 61% | 0.611 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 178.6 | -78 | -175.2 | 175.8 | -165.9 | -2.6 | 111.5 | R68 Q69 Q76 | R68-R72 WeakPolarHBondContact O-CG 3.46Å; R68-R72 PolarHBondContact O-N 2.92Å; Q69-R72 PolarHBondContact O-N 3.45Å; R72-Q76 WeakPolarHBondContact O-CA 3.44Å; R72-Q76 PolarHBondContact O-N 3.06Å |
| 73 | Q | 86.2 | Confident | 86.1 | Confident | 60 Ų | 60 | 79.7 Ų | 79.7 | 28% | 0.28 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | 178.5 | -71.5 | 176.7 | -17 | 0 | 0 | 112.9 | C45 Q69 L70 Q76 | C45-Q73 HydrophobicContact CB-CB 4.25Å; Q69-Q73 WeakPolarHBondContact O-CG 3.38Å; Q69-Q73 PolarHBondContact O-N 3.1Å; L70-Q73 PolarHBondContact O-N 3.06Å; Q73-Q76 VanDerWaalsContact O-CG 3.26Å; Q73-Q76 WeakPolarHBondContact O-CG 3.47Å |
| 74 | W | 85.8 | Confident | 85.9 | Confident | 11 Ų | 11 | 83.9 Ų | 83.9 | 4% | 0.042 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76 | -53.3 | 176.3 | 168.6 | 34.5 | 0 | 0 | 0 | 112.5 | C45 R46 F49 L70 C71 L88 L89 E92 | C45-W74 HydrophobicContact CB-CB 4.07Å; R46-W74 HydrophobicContact CB-CD2 4.11Å; R46-W74 HydrophobicContact CB-CG 3.85Å; R46-W74 HydrophobicContact CG-CD2 3.94Å; R46-W74 VanDerWaalsContact CG-CE2 3.5Å; R46-W74 HydrophobicContact CG-CG 4.22Å; R46-W74 HydrophobicContact CG-CZ2 3.87Å; F49-W74 HydrophobicContact CD1-CE3 4.18Å; F49-W74 HydrophobicContact CD1-CZ3 4.05Å; F49-W74 HydrophobicContact CE1-CZ3 4.24Å; F49-W74 HydrophobicContact CG-CE3 4.47Å; L70-W74 VanDerWaalsContact O-CB 3.3Å; L70-W74 WeakPolarHBondContact O-CB 3.24Å; L70-W74 PolarHBondContact O-N 3.49Å; C71-W74 PolarHBondContact O-N 3.25Å; W74-L88 HydrophobicContact CZ2-CB 4.48Å; W74-L89 HydrophobicContact CH2-CD2 3.87Å; W74-L89 HydrophobicContact CZ3-CD2 4.07Å; W74-E92 HydrophobicContact CH2-CB 3.65Å; W74-E92 HydrophobicContact CH2-CG 3.72Å; W74-E92 HydrophobicContact CZ2-CB 3.9Å; W74-E92 HydrophobicContact CZ2-CG 4.18Å |
| 75 | L | 86.3 | Confident | 85.9 | Confident | 24 Ų | 24 | 81.1 Ų | 81.1 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -80.7 | -22.6 | -171.8 | -62.3 | 174.3 | 0 | 0 | 0 | 112.8 | C71 H80 I85 L88 L89 | C71-L75 WeakPolarHBondContact O-CB 3.39Å; C71-L75 WeakPolarHBondContact O-CG 3.43Å; C71-L75 PolarHBondContact O-N 3Å; L75-H80 PolarHBondContact O-ND1 2.83Å; L75-I85 HydrophobicContact CD1-CG2 4.27Å; L75-I85 HydrophobicContact CD2-CG2 4.35Å; L75-L88 HydrophobicContact CD2-CB 4.11Å; L75-L88 HydrophobicContact CD2-CD1 4.37Å; L75-L89 HydrophobicContact CD1-CD2 4.24Å; L75-L89 HydrophobicContact CD2-CD2 4.07Å; L75-L89 HydrophobicContact CD2-CG 4.35Å |
| 76 | Q | 86 | Confident | 85.9 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 23% | 0.234 | 39% | 0.394 | C | S | . | . | trans | 41 | 63.1 | 179.6 | -59.1 | -176.2 | -40.1 | 0 | 0 | 112 | R72 Q73 E78 L79 H80 | R72-Q76 WeakPolarHBondContact O-CA 3.44Å; R72-Q76 PolarHBondContact O-N 3.06Å; Q73-Q76 VanDerWaalsContact O-CG 3.26Å; Q73-Q76 WeakPolarHBondContact O-CG 3.47Å; Q76-E78 PolarHBondContact O-N 2.81Å; Q76-L79 HydrophobicContact CB-CB 4.3Å; Q76-L79 HydrophobicContact CB-CD1 4.22Å; Q76-L79 HydrophobicContact CB-CG 4.41Å; Q76-L79 PolarHBondContact O-N 3.46Å; Q76-H80 PolarHBondContact O-N 3.11Å; Q76-H80 PolarHBondContact O-ND1 3.04Å | ||
| 77 | P | 83.6 | Confident | 85.8 | Confident | 60 Ų | 60 | 84.4 Ų | 84.4 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -14.6 | -173.5 | 27.3 | -35.6 | 0 | 0 | 0 | 113.7 | L79 I85 | P77-L79 VanDerWaalsContact C-N 3.3Å; P77-I85 HydrophobicContact CB-CD1 3.95Å |
| 78 | E | 85.4 | Confident | 85.7 | Confident | 130 Ų | 130 | 83.8 Ų | 83.8 | 61% | 0.607 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -18.8 | 172.5 | -58.5 | 77.1 | -168 | 0 | 0 | 113.1 | Q76 | Q76-E78 PolarHBondContact O-N 2.81Š|
| 79 | L | 78.6 | Confident | 85.6 | Confident | 126 Ų | 126 | 78.4 Ų | 78.4 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -19.2 | -177.5 | -60.6 | 179.6 | 0 | 0 | 0 | 113.3 | Q76 P77 | Q76-L79 HydrophobicContact CB-CB 4.3Å; Q76-L79 HydrophobicContact CB-CD1 4.22Å; Q76-L79 HydrophobicContact CB-CG 4.41Å; Q76-L79 PolarHBondContact O-N 3.46Å; P77-L79 VanDerWaalsContact C-N 3.3Å |
| 80 | H | 83.9 | Confident | 85.5 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 29% | 0.287 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -116 | 143.7 | -174.3 | -64.6 | 102.8 | 0 | 0 | 0 | 113 | L75 Q76 Q84 I85 | L75-H80 PolarHBondContact O-ND1 2.83Å; Q76-H80 PolarHBondContact O-N 3.11Å; Q76-H80 PolarHBondContact O-ND1 3.04Å; H80-Q84 HydrophobicContact CB-CB 4Å; H80-I85 HydrophobicContact CB-CD1 4.43Å; H80-I85 HydrophobicContact CB-CG1 3.81Å |
| 81 | T | 89.8 | Confident | 85.3 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 42% | 0.423 | 38% | 0.377 | S | S | . | . | trans | -71.1 | 165.5 | 169.7 | 80.6 | 0 | 0 | 0 | 0 | 111.3 | E83 Q84 I85 | T81-E83 VanDerWaalsContact CB-OE2 3.32Å; T81-E83 WeakPolarHBondContact CB-OE2 3.18Å; T81-E83 PolarHBondContact O-N 3.15Å; T81-E83 PolarHBondContact OG1-N 2.87Å; T81-E83 PolarHBondContact OG1-OE2 2.83Å; T81-Q84 PolarHBondContact O-N 3.11Å; T81-Q84 VanDerWaalsContact O-N 3.16Å; T81-Q84 PolarHBondContact OG1-N 3.13Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 2.96Å | ||
| 82 | K | 87.9 | Confident | 85.1 | Confident | 169 Ų | 169 | 76.6 Ų | 76.6 | 74% | 0.735 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58 | -37.8 | 177.4 | -69.1 | -178.7 | -179 | 174.8 | 0 | 111.9 | I85 L86 | K82-I85 PolarHBondContact O-N 2.94Å; K82-L86 VanDerWaalsContact O-CG 3.29Å; K82-L86 WeakPolarHBondContact O-CG 3.4Å; K82-L86 PolarHBondContact O-N 3.47Å |
| 83 | E | 84.8 | Confident | 85 | Confident | 126 Ų | 126 | 74 Ų | 74 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | 178.3 | -60.6 | 69 | -148 | 0 | 0 | 110.9 | T81 L86 E87 | T81-E83 VanDerWaalsContact CB-OE2 3.32Å; T81-E83 WeakPolarHBondContact CB-OE2 3.18Å; T81-E83 PolarHBondContact O-N 3.15Å; T81-E83 PolarHBondContact OG1-N 2.87Å; T81-E83 PolarHBondContact OG1-OE2 2.83Å; E83-L86 PolarHBondContact O-N 3.36Å; E83-E87 PolarHBondContact O-N 2.8Å |
| 84 | Q | 81.6 | Confident | 84.9 | Confident | 91 Ų | 91 | 74.3 Ų | 74.3 | 43% | 0.425 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 177 | -69.2 | 172.6 | -31.4 | 0 | 0 | 111.9 | H80 T81 L86 E87 L88 | H80-Q84 HydrophobicContact CB-CB 4Å; T81-Q84 PolarHBondContact O-N 3.11Å; T81-Q84 VanDerWaalsContact O-N 3.16Å; T81-Q84 PolarHBondContact OG1-N 3.13Å; Q84-L86 VanDerWaalsContact C-N 3.35Å; Q84-E87 PolarHBondContact O-N 3.03Å; Q84-L88 WeakPolarHBondContact O-CG 3.33Å; Q84-L88 PolarHBondContact O-N 2.88Å |
| 85 | I | 87.4 | Confident | 84.6 | Confident | 33 Ų | 33 | 74.1 Ų | 74.1 | 17% | 0.169 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 173.9 | -65.1 | 166.1 | 0 | 0 | 0 | 110.6 | L75 P77 H80 T81 K82 L88 L89 | L75-I85 HydrophobicContact CD1-CG2 4.27Å; L75-I85 HydrophobicContact CD2-CG2 4.35Å; P77-I85 HydrophobicContact CB-CD1 3.95Å; H80-I85 HydrophobicContact CB-CD1 4.43Å; H80-I85 HydrophobicContact CB-CG1 3.81Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 2.96Å; K82-I85 PolarHBondContact O-N 2.94Å; I85-L88 PolarHBondContact O-N 2.75Å; I85-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 WeakPolarHBondContact O-CG 3.26Å; I85-L89 PolarHBondContact O-N 3.38Å |
| 86 | L | 87.1 | Confident | 84.2 | Confident | 106 Ų | 106 | 75.5 Ų | 75.5 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61.6 | -43.2 | 175 | -74.3 | 171.1 | 0 | 0 | 0 | 111.5 | K82 E83 Q84 L88 L89 V90 | K82-L86 VanDerWaalsContact O-CG 3.29Å; K82-L86 WeakPolarHBondContact O-CG 3.4Å; K82-L86 PolarHBondContact O-N 3.47Å; E83-L86 PolarHBondContact O-N 3.36Å; Q84-L86 VanDerWaalsContact C-N 3.35Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 PolarHBondContact O-N 3.47Å; L86-L89 PolarHBondContact O-N 3.11Å; L86-V90 WeakPolarHBondContact O-CB 3.05Å; L86-V90 VanDerWaalsContact O-CG2 3.23Å; L86-V90 WeakPolarHBondContact O-CG2 3.32Å; L86-V90 PolarHBondContact O-N 3.46Å |
| 87 | E | 84.2 | Confident | 84 | Confident | 97 Ų | 97 | 78.8 Ų | 78.8 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 174.1 | -79.8 | -67 | 132.2 | 0 | 0 | 111.9 | E83 Q84 L89 V90 M91 S114 | E83-E87 PolarHBondContact O-N 2.8Å; Q84-E87 PolarHBondContact O-N 3.03Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3Å; E87-V90 PolarHBondContact O-N 2.88Å; E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 PolarHBondContact O-N 3.3Å; E87-S114 WeakPolarHBondContact OE2-CB 3.17Å; E87-S114 PolarHBondContact OE2-OG 3.02Å |
| 88 | L | 84.4 | Confident | 83.8 | Confident | 33 Ų | 33 | 76.6 Ų | 76.6 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.3 | -70.7 | 172.7 | 0 | 0 | 0 | 112.6 | W74 L75 Q84 I85 L86 M91 E92 | W74-L88 HydrophobicContact CZ2-CB 4.48Å; L75-L88 HydrophobicContact CD2-CB 4.11Å; L75-L88 HydrophobicContact CD2-CD1 4.37Å; Q84-L88 WeakPolarHBondContact O-CG 3.33Å; Q84-L88 PolarHBondContact O-N 2.88Å; I85-L88 PolarHBondContact O-N 2.75Å; L86-L88 VanDerWaalsContact C-N 3.35Å; L86-L88 PolarHBondContact O-N 3.47Å; L88-M91 HydrophobicContact CD2-CE 4.11Å; L88-M91 WeakPolarHBondContact O-CB 3.43Å; L88-E92 PolarHBondContact O-N 3.48Å |
| 89 | L | 86.8 | Confident | 83.4 | Confident | 70 Ų | 70 | 73.3 Ų | 73.3 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.6 | -42.7 | 176.2 | -67 | 174.1 | 0 | 0 | 0 | 112 | W74 L75 I85 L86 E87 M91 E92 Q93 | W74-L89 HydrophobicContact CH2-CD2 3.87Å; W74-L89 HydrophobicContact CZ3-CD2 4.07Å; L75-L89 HydrophobicContact CD1-CD2 4.24Å; L75-L89 HydrophobicContact CD2-CD2 4.07Å; L75-L89 HydrophobicContact CD2-CG 4.35Å; I85-L89 HydrophobicContact CG2-CD1 4.26Å; I85-L89 WeakPolarHBondContact O-CG 3.26Å; I85-L89 PolarHBondContact O-N 3.38Å; L86-L89 PolarHBondContact O-N 3.11Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 3Å; L89-M91 VanDerWaalsContact C-N 3.3Å; L89-M91 PolarHBondContact O-N 3.28Å; L89-E92 PolarHBondContact O-N 3Å; L89-Q93 WeakPolarHBondContact O-CB 3.14Å; L89-Q93 PolarHBondContact O-N 3.36Å |
| 90 | V | 86.1 | Confident | 83.2 | Confident | 81 Ų | 81 | 70.1 Ų | 70.1 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 109.9 | L86 E87 Q93 F94 | L86-V90 WeakPolarHBondContact O-CB 3.05Å; L86-V90 VanDerWaalsContact O-CG2 3.23Å; L86-V90 WeakPolarHBondContact O-CG2 3.32Å; L86-V90 PolarHBondContact O-N 3.46Å; E87-V90 PolarHBondContact O-N 2.88Å; V90-Q93 PolarHBondContact O-N 3.37Å; V90-F94 WeakPolarHBondContact O-CB 3.31Å; V90-F94 PolarHBondContact O-N 2.84Å |
| 91 | M | 81.6 | Confident | 82.8 | Confident | 11 Ų | 11 | 72.4 Ų | 72.4 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 174.7 | -168.9 | -174.7 | 65.5 | 0 | 0 | 111.1 | E87 L88 L89 F94 L95 I117 | E87-M91 WeakPolarHBondContact O-CB 3.48Å; E87-M91 PolarHBondContact O-N 3.3Å; L88-M91 HydrophobicContact CD2-CE 4.11Å; L88-M91 WeakPolarHBondContact O-CB 3.43Å; L89-M91 VanDerWaalsContact C-N 3.3Å; L89-M91 PolarHBondContact O-N 3.28Å; M91-F94 PolarHBondContact O-N 3.34Å; M91-L95 HydrophobicContact CG-CD1 4.49Å; M91-L95 WeakPolarHBondContact O-CG 3.35Å; M91-L95 PolarHBondContact O-N 3.43Å; M91-I117 HydrophobicContact CB-CD1 4.4Å; M91-I117 HydrophobicContact CG-CD1 3.21Å; M91-I117 HydrophobicContact CG-CG1 4.41Å; M91-I117 HydrophobicContact SD-CD1 4.09Å |
| 92 | E | 83.7 | Confident | 82.1 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 17% | 0.173 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 176.7 | -168.5 | -79 | 154.6 | 0 | 0 | 111.5 | W74 L88 L89 F94 L95 T96 | W74-E92 HydrophobicContact CH2-CB 3.65Å; W74-E92 HydrophobicContact CH2-CG 3.72Å; W74-E92 HydrophobicContact CZ2-CB 3.9Å; W74-E92 HydrophobicContact CZ2-CG 4.18Å; L88-E92 PolarHBondContact O-N 3.48Å; L89-E92 PolarHBondContact O-N 3Å; E92-F94 VanDerWaalsContact C-N 3.3Å; E92-F94 PolarHBondContact O-N 3.03Å; E92-L95 WeakPolarHBondContact O-CB 3.4Å; E92-L95 PolarHBondContact O-N 2.81Å; E92-L95 VanDerWaalsContact O-N 3.14Å; E92-T96 WeakPolarHBondContact O-CG2 3.42Å; E92-T96 PolarHBondContact O-N 2.76Å |
| 93 | Q | 84.6 | Confident | 81.4 | Confident | 109 Ų | 109 | 62 Ų | 62 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 179.3 | -174.7 | 58.1 | 74.6 | 0 | 0 | 111.6 | L89 V90 T96 I97 | L89-Q93 WeakPolarHBondContact O-CB 3.14Å; L89-Q93 PolarHBondContact O-N 3.36Å; V90-Q93 PolarHBondContact O-N 3.37Å; Q93-T96 PolarHBondContact NE2-OG1 2.75Å; Q93-T96 PolarHBondContact O-N 3.44Å; Q93-T96 PolarHBondContact O-OG1 2.81Å; Q93-I97 PolarHBondContact O-N 3.48Å |
| 94 | F | 82.4 | Confident | 80.8 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 176.1 | -171.1 | -110.7 | 0 | 0 | 0 | 111.3 | V90 M91 E92 T96 I97 L98 I117 V121 | V90-F94 WeakPolarHBondContact O-CB 3.31Å; V90-F94 PolarHBondContact O-N 2.84Å; M91-F94 PolarHBondContact O-N 3.34Å; E92-F94 VanDerWaalsContact C-N 3.3Å; E92-F94 PolarHBondContact O-N 3.03Å; F94-T96 VanDerWaalsContact C-N 3.28Å; F94-T96 PolarHBondContact O-N 3.48Å; F94-I97 HydrophobicContact CD2-CD1 3.87Å; F94-I97 HydrophobicContact CD2-CG1 4.32Å; F94-I97 HydrophobicContact CE2-CD1 4.27Å; F94-I97 WeakPolarHBondContact O-CG1 3.45Å; F94-I97 PolarHBondContact O-N 3.37Å; F94-L98 HydrophobicContact CE1-CD2 4.11Å; F94-L98 HydrophobicContact CZ-CD2 4.16Å; F94-L98 WeakPolarHBondContact O-CG 3.34Å; F94-L98 PolarHBondContact O-N 2.86Å; F94-I117 HydrophobicContact CD1-CB 4.12Å; F94-I117 HydrophobicContact CD1-CD1 4.3Å; F94-I117 HydrophobicContact CD1-CG2 3.62Å; F94-I117 HydrophobicContact CE1-CB 4.07Å; F94-I117 HydrophobicContact CE1-CG2 3.51Å; F94-V121 HydrophobicContact CE1-CG2 4.3Å |
| 95 | L | 79.6 | Confident | 80.1 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -31.8 | 176.9 | -67.9 | 171.6 | 0 | 0 | 0 | 113.1 | M91 E92 I97 L98 Q103 V106 I117 | M91-L95 HydrophobicContact CG-CD1 4.49Å; M91-L95 WeakPolarHBondContact O-CG 3.35Å; M91-L95 PolarHBondContact O-N 3.43Å; E92-L95 WeakPolarHBondContact O-CB 3.4Å; E92-L95 PolarHBondContact O-N 2.81Å; E92-L95 VanDerWaalsContact O-N 3.14Å; L95-I97 VanDerWaalsContact C-N 3.35Å; L95-L98 HydrophobicContact CD2-CD1 3.98Å; L95-Q103 PolarHBondContact O-NE2 2.73Å; L95-V106 HydrophobicContact CD2-CB 4.4Å; L95-V106 HydrophobicContact CD2-CG1 3.48Å; L95-V106 VanDerWaalsContact CD2-CG1 3.48Å; L95-I117 HydrophobicContact CD1-CD1 4.18Å; L95-I117 HydrophobicContact CD2-CD1 3.64Å; L95-I117 HydrophobicContact CD2-CG1 4.26Å; L95-I117 HydrophobicContact CD2-CG2 3.88Å; L95-I117 HydrophobicContact CG-CD1 3.79Å |
| 96 | T | 79.3 | Confident | 79.2 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.6 | -28.4 | 178 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | E92 Q93 F94 Q103 | E92-T96 WeakPolarHBondContact O-CG2 3.42Å; E92-T96 PolarHBondContact O-N 2.76Å; Q93-T96 PolarHBondContact NE2-OG1 2.75Å; Q93-T96 PolarHBondContact O-N 3.44Å; Q93-T96 PolarHBondContact O-OG1 2.81Å; F94-T96 VanDerWaalsContact C-N 3.28Å; F94-T96 PolarHBondContact O-N 3.48Å; T96-Q103 PolarHBondContact O-NE2 3.47Å |
| 97 | I | 80.2 | Confident | 78.2 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -85.2 | -14.1 | -179.8 | 62.7 | 165 | 0 | 0 | 0 | 113.4 | Q93 F94 L95 | Q93-I97 PolarHBondContact O-N 3.48Å; F94-I97 HydrophobicContact CD2-CD1 3.87Å; F94-I97 HydrophobicContact CD2-CG1 4.32Å; F94-I97 HydrophobicContact CE2-CD1 4.27Å; F94-I97 WeakPolarHBondContact O-CG1 3.45Å; F94-I97 PolarHBondContact O-N 3.37Å; L95-I97 VanDerWaalsContact C-N 3.35Å |
| 98 | L | 80.3 | Confident | 77.1 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -66.3 | 144.5 | 178.6 | -65.9 | 179.4 | 0 | 0 | 0 | 112.1 | F94 L95 I102 Q103 V106 I117 V121 | F94-L98 HydrophobicContact CE1-CD2 4.11Å; F94-L98 HydrophobicContact CZ-CD2 4.16Å; F94-L98 WeakPolarHBondContact O-CG 3.34Å; F94-L98 PolarHBondContact O-N 2.86Å; L95-L98 HydrophobicContact CD2-CD1 3.98Å; L98-I102 HydrophobicContact CB-CB 4.45Å; L98-I102 HydrophobicContact CD1-CG2 4.01Å; L98-Q103 HydrophobicContact CB-CG 4.01Å; L98-Q103 PolarHBondContact O-NE2 3.45Å; L98-Q103 VanDerWaalsContact O-NE2 3.1Å; L98-V106 HydrophobicContact CD1-CG2 4.33Å; L98-I117 HydrophobicContact CD1-CG2 3.85Å; L98-V121 HydrophobicContact CD1-CG2 3.98Å; L98-V121 HydrophobicContact CD2-CG2 3.63Å; L98-V121 HydrophobicContact CG-CG2 4.48Å |
| 99 | P | 76.5 | Confident | 76.2 | Confident | 62 Ų | 62 | 72 Ų | 72 | 40% | 0.403 | 35% | 0.348 | S | S | . | . | trans | -55.2 | 148.3 | 172 | -24.4 | 33.2 | 0 | 0 | 0 | 112.7 | E101 I102 Q103 | P99-E101 WeakPolarHBondContact CB-OE2 3.28Å; P99-E101 PolarHBondContact O-N 3.22Å; P99-E101 VanDerWaalsContact O-N 3.1Å; P99-I102 HydrophobicContact CG-CD1 4.3Å; P99-I102 PolarHBondContact O-N 2.79Å; P99-Q103 PolarHBondContact O-N 3.33Å | ||
| 100 | P | 75.9 | Confident | 74.9 | Confident | 58 Ų | 58 | 71.7 Ų | 71.7 | 38% | 0.377 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -50.5 | -35.6 | 179.4 | -22 | 27.4 | 0 | 0 | 0 | 114.4 | I102 Q103 A104 | P100-I102 VanDerWaalsContact C-N 3.35Å; P100-Q103 PolarHBondContact O-N 2.85Å; P100-A104 PolarHBondContact O-N 3.38Å |
| 101 | E | 75.4 | Confident | 74 | Confident | 111 Ų | 111 | 68.2 Ų | 68.2 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | -178 | -58 | 71.2 | -152.9 | 0 | 0 | 111 | P99 F124 | P99-E101 WeakPolarHBondContact CB-OE2 3.28Å; P99-E101 PolarHBondContact O-N 3.22Å; P99-E101 VanDerWaalsContact O-N 3.1Å; E101-F124 HydrophobicContact CB-CE2 4.37Å; E101-F124 HydrophobicContact CB-CZ 4.11Å |
| 102 | I | 73.7 | Confident | 73.1 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.015 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -78.3 | -39.5 | 176.3 | -53.9 | -172.8 | 0 | 0 | 0 | 109.9 | L98 P99 P100 A104 R105 V106 V121 F124 | L98-I102 HydrophobicContact CB-CB 4.45Å; L98-I102 HydrophobicContact CD1-CG2 4.01Å; P99-I102 HydrophobicContact CG-CD1 4.3Å; P99-I102 PolarHBondContact O-N 2.79Å; P100-I102 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.04Å; I102-R105 PolarHBondContact O-N 3.37Å; I102-V106 HydrophobicContact CG2-CG2 4.07Å; I102-V106 WeakPolarHBondContact O-CG2 3.21Å; I102-V106 PolarHBondContact O-N 3.09Å; I102-V121 HydrophobicContact CD1-CG1 4.39Å; I102-V121 HydrophobicContact CG2-CG2 4.03Å; I102-F124 HydrophobicContact CD1-CB 4.33Å; I102-F124 HydrophobicContact CD1-CD1 3.41Å; I102-F124 VanDerWaalsContact CD1-CD1 3.41Å; I102-F124 HydrophobicContact CD1-CE1 3.82Å; I102-F124 HydrophobicContact CD1-CG 3.91Å; I102-F124 HydrophobicContact CG1-CB 4.44Å; I102-F124 HydrophobicContact CG1-CD1 3.57Å; I102-F124 HydrophobicContact CG1-CD2 4.09Å; I102-F124 HydrophobicContact CG1-CE1 3.7Å; I102-F124 HydrophobicContact CG1-CE2 4.21Å; I102-F124 HydrophobicContact CG1-CG 3.76Å; I102-F124 HydrophobicContact CG1-CZ 4.02Å |
| 103 | Q | 73.9 | Confident | 72.5 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.7 | -37.2 | 175.5 | -72.7 | -176.3 | -6.7 | 0 | 0 | 112.1 | L95 T96 L98 P99 P100 V106 R107 | L95-Q103 PolarHBondContact O-NE2 2.73Å; T96-Q103 PolarHBondContact O-NE2 3.47Å; L98-Q103 HydrophobicContact CB-CG 4.01Å; L98-Q103 PolarHBondContact O-NE2 3.45Å; L98-Q103 VanDerWaalsContact O-NE2 3.1Å; P99-Q103 PolarHBondContact O-N 3.33Å; P100-Q103 PolarHBondContact O-N 2.85Å; Q103-V106 PolarHBondContact O-N 3.29Å; Q103-R107 VanDerWaalsContact O-CG 3.23Å; Q103-R107 WeakPolarHBondContact O-CG 3.39Å; Q103-R107 PolarHBondContact O-N 3.29Å |
| 104 | A | 71.4 | Confident | 71.9 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P100 I102 R107 H108 | P100-A104 PolarHBondContact O-N 3.38Å; I102-A104 PolarHBondContact O-N 3.04Å; A104-R107 PolarHBondContact O-N 3.1Å; A104-H108 PolarHBondContact O-CD2 2.74Å |
| 105 | R | 67.7 | Low | 71.8 | Confident | 137 Ų | 137 | 75.2 Ų | 75.2 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 177.1 | -70.4 | -174.8 | 174 | -158.9 | -1.6 | 112.7 | I102 H108 R109 | I102-R105 PolarHBondContact O-N 3.37Å; R105-H108 PolarHBondContact O-N 2.95Å; R105-R109 PolarHBondContact O-N 2.77Å |
| 106 | V | 68.8 | Low | 71.6 | Confident | 8 Ų | 8 | 77.6 Ų | 77.6 | 5% | 0.048 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 179.3 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | L95 L98 I102 Q103 H108 R109 C110 P111 L120 | L95-V106 HydrophobicContact CD2-CB 4.4Å; L95-V106 HydrophobicContact CD2-CG1 3.48Å; L95-V106 VanDerWaalsContact CD2-CG1 3.48Å; L98-V106 HydrophobicContact CD1-CG2 4.33Å; I102-V106 HydrophobicContact CG2-CG2 4.07Å; I102-V106 WeakPolarHBondContact O-CG2 3.21Å; I102-V106 PolarHBondContact O-N 3.09Å; Q103-V106 PolarHBondContact O-N 3.29Å; V106-H108 PolarHBondContact O-N 2.97Å; V106-R109 PolarHBondContact O-N 3.37Å; V106-R109 VanDerWaalsContact O-N 3.09Å; V106-C110 PolarHBondContact O-N 2.83Å; V106-P111 HydrophobicContact CG1-CG 3.59Å; V106-L120 HydrophobicContact CG2-CD1 4.32Å |
| 107 | R | 65.6 | Low | 71.4 | Confident | 149 Ų | 149 | 75 Ų | 75 | 56% | 0.562 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -57.8 | -28.5 | 174.8 | -78 | 170.6 | -171.8 | 172.4 | 4.4 | 113.6 | Q103 A104 | Q103-R107 VanDerWaalsContact O-CG 3.23Å; Q103-R107 WeakPolarHBondContact O-CG 3.39Å; Q103-R107 PolarHBondContact O-N 3.29Å; A104-R107 PolarHBondContact O-N 3.1Å |
| 108 | H | 61 | Low | 71.5 | Confident | 170 Ų | 170 | 72.3 Ų | 72.3 | 79% | 0.787 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -91.6 | -13 | 178.8 | -69.6 | -69.6 | 0 | 0 | 0 | 113.8 | A104 R105 V106 | A104-H108 PolarHBondContact O-CD2 2.74Å; R105-H108 PolarHBondContact O-N 2.95Å; V106-H108 PolarHBondContact O-N 2.97Å |
| 109 | R | 65.3 | Low | 71.6 | Confident | 188 Ų | 188 | 75 Ų | 75 | 71% | 0.709 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -110.1 | -8.6 | -172.4 | -71.8 | -78.9 | -173.8 | -178.5 | -0.4 | 114.2 | R105 V106 L120 | R105-R109 PolarHBondContact O-N 2.77Å; V106-R109 PolarHBondContact O-N 3.37Å; V106-R109 VanDerWaalsContact O-N 3.09Å; R109-L120 HydrophobicContact CB-CD1 4Å; R109-L120 HydrophobicContact CB-CD2 4.33Å; R109-L120 HydrophobicContact CG-CD2 4.12Å |
| 110 | C | 60.6 | Low | 71.8 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 43% | 0.426 | 37% | 0.369 | S | S | . | . | trans | 38.6 | 64.7 | 175.3 | -63.9 | 0 | 0 | 0 | 0 | 114 | V106 T112 | V106-C110 PolarHBondContact O-N 2.83Å; C110-T112 PolarHBondContact O-N 3.1Å | ||
| 111 | P | 65.6 | Low | 72 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 5% | 0.045 | 36% | 0.356 | C | S | . | . | trans | -61.4 | 134.7 | -177.5 | 25.9 | -33.6 | 0 | 0 | 0 | 110.6 | V106 D116 I117 L120 | V106-P111 HydrophobicContact CG1-CG 3.59Å; P111-D116 HydrophobicContact CB-CB 3.68Å; P111-I117 HydrophobicContact CB-CD1 4.44Å; P111-I117 HydrophobicContact CB-CG1 3.53Å; P111-I117 HydrophobicContact CG-CD1 4.16Å; P111-I117 HydrophobicContact CG-CG1 3.58Å; P111-L120 HydrophobicContact CB-CD1 4.31Å | ||
| 112 | T | 64.5 | Low | 72.4 | Confident | 109 Ų | 109 | 72.1 Ų | 72.1 | 67% | 0.669 | 36% | 0.356 | S | S | * | . | trans | -96.5 | -18.8 | -173.5 | 61 | 0 | 0 | 0 | 0 | 112.7 | C110 D116 | C110-T112 PolarHBondContact O-N 3.1Å; T112-D116 PolarHBondContact N-OD2 3.04Å; T112-D116 PolarHBondContact OG1-OD2 3.21Å | ||
| 113 | N | 70.2 | Confident | 72.7 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -143.6 | 166.6 | 179.8 | 67.7 | 67.5 | 0 | 0 | 0 | 111.3 | K115 D116 | N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 3.1Å; N113-K115 VanDerWaalsContact OD1-CA 3.29Å; N113-K115 WeakPolarHBondContact OD1-CA 3.36Å; N113-K115 WeakPolarHBondContact OD1-CB 3.46Å; N113-K115 PolarHBondContact OD1-N 3.46Å; N113-D116 VanDerWaalsContact CG-CG 3.49Å; N113-D116 PolarHBondContact N-OD2 2.94Å; N113-D116 PolarHBondContact ND2-OD1 3.44Å; N113-D116 PolarHBondContact ND2-OD2 2.77Å; N113-D116 WeakPolarHBondContact O-CB 3.33Å; N113-D116 PolarHBondContact O-N 3.04Å; N113-D116 PolarHBondContact OD1-N 2.91Å; N113-D116 PolarHBondContact OD1-OD1 2.99Å |
| 114 | S | 72.6 | Confident | 73 | Confident | 42 Ų | 42 | 77.3 Ų | 77.3 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -33.4 | 180 | 49 | 0 | 0 | 0 | 0 | 113.3 | E87 I117 V118 | E87-S114 WeakPolarHBondContact OE2-CB 3.17Å; E87-S114 PolarHBondContact OE2-OG 3.02Å; S114-I117 PolarHBondContact O-N 3.33Å; S114-V118 WeakPolarHBondContact O-CG2 3.49Å; S114-V118 PolarHBondContact O-N 3.25Å; S114-V118 VanDerWaalsContact O-N 3.12Å |
| 115 | K | 78.9 | Confident | 73.2 | Confident | 160 Ų | 160 | 79.5 Ų | 79.5 | 70% | 0.696 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.2 | -36.4 | 177 | -56.6 | 178.9 | 179.2 | 175.7 | 0 | 112.7 | N113 I117 V118 T119 | N113-K115 VanDerWaalsContact C-N 3.29Å; N113-K115 PolarHBondContact O-N 3.1Å; N113-K115 VanDerWaalsContact OD1-CA 3.29Å; N113-K115 WeakPolarHBondContact OD1-CA 3.36Å; N113-K115 WeakPolarHBondContact OD1-CB 3.46Å; N113-K115 PolarHBondContact OD1-N 3.46Å; K115-I117 VanDerWaalsContact C-N 3.29Å; K115-I117 PolarHBondContact O-N 3.09Å; K115-V118 PolarHBondContact O-N 3.41Å; K115-T119 WeakPolarHBondContact O-CB 3.35Å; K115-T119 PolarHBondContact O-N 3.47Å; K115-T119 PolarHBondContact O-OG1 3.46Å |
| 116 | D | 76.5 | Confident | 73.8 | Confident | 57 Ų | 57 | 80.7 Ų | 80.7 | 31% | 0.305 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 176.5 | -63.1 | -14.9 | 0 | 0 | 0 | 110.2 | P111 T112 N113 T119 L120 | P111-D116 HydrophobicContact CB-CB 3.68Å; T112-D116 PolarHBondContact N-OD2 3.04Å; T112-D116 PolarHBondContact OG1-OD2 3.21Å; N113-D116 VanDerWaalsContact CG-CG 3.49Å; N113-D116 PolarHBondContact N-OD2 2.94Å; N113-D116 PolarHBondContact ND2-OD1 3.44Å; N113-D116 PolarHBondContact ND2-OD2 2.77Å; N113-D116 WeakPolarHBondContact O-CB 3.33Å; N113-D116 PolarHBondContact O-N 3.04Å; N113-D116 PolarHBondContact OD1-N 2.91Å; N113-D116 PolarHBondContact OD1-OD1 2.99Å; D116-T119 PolarHBondContact O-N 3.19Å; D116-L120 WeakPolarHBondContact O-CB 3.45Å; D116-L120 VanDerWaalsContact O-CG 3.23Å; D116-L120 WeakPolarHBondContact O-CG 3.43Å; D116-L120 PolarHBondContact O-N 3.32Å |
| 117 | I | 74.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 179 | -47.7 | 176.3 | 0 | 0 | 0 | 110.7 | M91 F94 L95 L98 P111 S114 K115 T119 L120 V121 | M91-I117 HydrophobicContact CB-CD1 4.4Å; M91-I117 HydrophobicContact CG-CD1 3.21Å; M91-I117 HydrophobicContact CG-CG1 4.41Å; M91-I117 HydrophobicContact SD-CD1 4.09Å; F94-I117 HydrophobicContact CD1-CB 4.12Å; F94-I117 HydrophobicContact CD1-CD1 4.3Å; F94-I117 HydrophobicContact CD1-CG2 3.62Å; F94-I117 HydrophobicContact CE1-CB 4.07Å; F94-I117 HydrophobicContact CE1-CG2 3.51Å; L95-I117 HydrophobicContact CD1-CD1 4.18Å; L95-I117 HydrophobicContact CD2-CD1 3.64Å; L95-I117 HydrophobicContact CD2-CG1 4.26Å; L95-I117 HydrophobicContact CD2-CG2 3.88Å; L95-I117 HydrophobicContact CG-CD1 3.79Å; L98-I117 HydrophobicContact CD1-CG2 3.85Å; P111-I117 HydrophobicContact CB-CD1 4.44Å; P111-I117 HydrophobicContact CB-CG1 3.53Å; P111-I117 HydrophobicContact CG-CD1 4.16Å; P111-I117 HydrophobicContact CG-CG1 3.58Å; S114-I117 PolarHBondContact O-N 3.33Å; K115-I117 VanDerWaalsContact C-N 3.29Å; K115-I117 PolarHBondContact O-N 3.09Å; I117-T119 VanDerWaalsContact C-N 3.33Å; I117-T119 PolarHBondContact O-N 3.43Å; I117-L120 PolarHBondContact O-N 3.16Å; I117-V121 HydrophobicContact CG2-CG2 4.18Å; I117-V121 WeakPolarHBondContact O-CB 3.35Å; I117-V121 WeakPolarHBondContact O-CG2 3.44Å; I117-V121 PolarHBondContact O-N 3.05Å |
| 118 | V | 81.6 | Confident | 74 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 37% | 0.37 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 177.7 | 173.2 | 0 | 0 | 0 | 0 | 110.1 | S114 K115 L120 V121 E122 | S114-V118 WeakPolarHBondContact O-CG2 3.49Å; S114-V118 PolarHBondContact O-N 3.25Å; S114-V118 VanDerWaalsContact O-N 3.12Å; K115-V118 PolarHBondContact O-N 3.41Å; V118-L120 PolarHBondContact O-N 2.8Å; V118-V121 PolarHBondContact O-N 2.83Å; V118-V121 VanDerWaalsContact O-N 3.16Å; V118-E122 HydrophobicContact CG1-CG 4.23Å; V118-E122 WeakPolarHBondContact O-CB 3.47Å; V118-E122 VanDerWaalsContact O-CG 3.32Å; V118-E122 WeakPolarHBondContact O-CG 3.23Å; V118-E122 PolarHBondContact O-N 3.37Å |
| 119 | T | 84.1 | Confident | 74.3 | Confident | 69 Ų | 69 | 79.2 Ų | 79.2 | 42% | 0.423 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57 | -47.3 | 175.3 | -52.3 | 0 | 0 | 0 | 0 | 111.5 | K115 D116 I117 V121 E122 D123 | K115-T119 WeakPolarHBondContact O-CB 3.35Å; K115-T119 PolarHBondContact O-N 3.47Å; K115-T119 PolarHBondContact O-OG1 3.46Å; D116-T119 PolarHBondContact O-N 3.19Å; I117-T119 VanDerWaalsContact C-N 3.33Å; I117-T119 PolarHBondContact O-N 3.43Å; T119-V121 VanDerWaalsContact C-N 3.31Å; T119-V121 PolarHBondContact O-N 3.14Å; T119-E122 PolarHBondContact O-N 3.47Å; T119-D123 WeakPolarHBondContact O-CB 3.48Å; T119-D123 PolarHBondContact O-N 3.24Å |
| 120 | L | 79.3 | Confident | 74 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 177.9 | -74.2 | 169.2 | 0 | 0 | 0 | 112.9 | V106 R109 P111 D116 I117 V118 F124 | V106-L120 HydrophobicContact CG2-CD1 4.32Å; R109-L120 HydrophobicContact CB-CD1 4Å; R109-L120 HydrophobicContact CB-CD2 4.33Å; R109-L120 HydrophobicContact CG-CD2 4.12Å; P111-L120 HydrophobicContact CB-CD1 4.31Å; D116-L120 WeakPolarHBondContact O-CB 3.45Å; D116-L120 VanDerWaalsContact O-CG 3.23Å; D116-L120 WeakPolarHBondContact O-CG 3.43Å; D116-L120 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 3.16Å; V118-L120 PolarHBondContact O-N 2.8Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.35Å; L120-F124 VanDerWaalsContact O-N 3.09Å |
| 121 | V | 80.4 | Confident | 73.3 | Confident | 18 Ų | 18 | 79.5 Ų | 79.5 | 11% | 0.109 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | F94 L98 I102 I117 V118 T119 F124 H125 | F94-V121 HydrophobicContact CE1-CG2 4.3Å; L98-V121 HydrophobicContact CD1-CG2 3.98Å; L98-V121 HydrophobicContact CD2-CG2 3.63Å; L98-V121 HydrophobicContact CG-CG2 4.48Å; I102-V121 HydrophobicContact CD1-CG1 4.39Å; I102-V121 HydrophobicContact CG2-CG2 4.03Å; I117-V121 HydrophobicContact CG2-CG2 4.18Å; I117-V121 WeakPolarHBondContact O-CB 3.35Å; I117-V121 WeakPolarHBondContact O-CG2 3.44Å; I117-V121 PolarHBondContact O-N 3.05Å; V118-V121 PolarHBondContact O-N 2.83Å; V118-V121 VanDerWaalsContact O-N 3.16Å; T119-V121 VanDerWaalsContact C-N 3.31Å; T119-V121 PolarHBondContact O-N 3.14Å; V121-F124 WeakPolarHBondContact O-CB 3.37Å; V121-F124 PolarHBondContact O-N 2.88Å; V121-H125 PolarHBondContact O-N 3.49Å; V121-H125 PolarHBondContact O-ND1 2.87Å |
| 122 | E | 83.8 | Confident | 73 | Confident | 110 Ų | 110 | 85.3 Ų | 85.3 | 51% | 0.514 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 176.6 | -74.7 | -179.3 | 174.5 | 0 | 0 | 111.7 | V118 T119 F124 H125 R126 | V118-E122 HydrophobicContact CG1-CG 4.23Å; V118-E122 WeakPolarHBondContact O-CB 3.47Å; V118-E122 VanDerWaalsContact O-CG 3.32Å; V118-E122 WeakPolarHBondContact O-CG 3.23Å; V118-E122 PolarHBondContact O-N 3.37Å; T119-E122 PolarHBondContact O-N 3.47Å; E122-F124 VanDerWaalsContact C-N 3.3Å; E122-F124 PolarHBondContact O-N 3.18Å; E122-H125 PolarHBondContact O-N 3.32Å; E122-R126 WeakPolarHBondContact O-CB 3.37Å; E122-R126 PolarHBondContact O-N 3.04Å |
| 123 | D | 81.1 | Confident | 72.7 | Confident | 82 Ų | 82 | 86.1 Ų | 86.1 | 44% | 0.439 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 174.8 | -77.1 | -18.4 | 0 | 0 | 0 | 111.8 | T119 R126 A127 | T119-D123 WeakPolarHBondContact O-CB 3.48Å; T119-D123 PolarHBondContact O-N 3.24Å; D123-R126 PolarHBondContact O-N 2.95Å; D123-A127 VanDerWaalsContact O-CB 3.26Å; D123-A127 WeakPolarHBondContact O-CB 3.35Å; D123-A127 PolarHBondContact O-N 2.81Å |
| 124 | F | 78.6 | Confident | 72.2 | Confident | 46 Ų | 46 | 90 Ų | 90 | 20% | 0.202 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 173.5 | -179.9 | -92.6 | 0 | 0 | 0 | 111.7 | E101 I102 L120 V121 E122 R126 A127 S128 | E101-F124 HydrophobicContact CB-CE2 4.37Å; E101-F124 HydrophobicContact CB-CZ 4.11Å; I102-F124 HydrophobicContact CD1-CB 4.33Å; I102-F124 HydrophobicContact CD1-CD1 3.41Å; I102-F124 VanDerWaalsContact CD1-CD1 3.41Å; I102-F124 HydrophobicContact CD1-CE1 3.82Å; I102-F124 HydrophobicContact CD1-CG 3.91Å; I102-F124 HydrophobicContact CG1-CB 4.44Å; I102-F124 HydrophobicContact CG1-CD1 3.57Å; I102-F124 HydrophobicContact CG1-CD2 4.09Å; I102-F124 HydrophobicContact CG1-CE1 3.7Å; I102-F124 HydrophobicContact CG1-CE2 4.21Å; I102-F124 HydrophobicContact CG1-CG 3.76Å; I102-F124 HydrophobicContact CG1-CZ 4.02Å; L120-F124 WeakPolarHBondContact O-CB 3.49Å; L120-F124 PolarHBondContact O-N 3.35Å; L120-F124 VanDerWaalsContact O-N 3.09Å; V121-F124 WeakPolarHBondContact O-CB 3.37Å; V121-F124 PolarHBondContact O-N 2.88Å; E122-F124 VanDerWaalsContact C-N 3.3Å; E122-F124 PolarHBondContact O-N 3.18Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 2.84Å; F124-A127 PolarHBondContact O-N 3.44Å; F124-S128 WeakPolarHBondContact O-CB 3.21Å; F124-S128 PolarHBondContact O-N 3.18Å; F124-S128 PolarHBondContact O-OG 2.72Å |
| 125 | H | 77.4 | Confident | 72 | Confident | 90 Ų | 90 | 90.5 Ų | 90.5 | 42% | 0.417 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 176.9 | -74.2 | 95.1 | 0 | 0 | 0 | 111.6 | V121 E122 S128 K129 | V121-H125 PolarHBondContact O-N 3.49Å; V121-H125 PolarHBondContact O-ND1 2.87Å; E122-H125 PolarHBondContact O-N 3.32Å; H125-S128 WeakPolarHBondContact CA-OG 3.48Å; H125-S128 PolarHBondContact O-N 3.11Å; H125-S128 PolarHBondContact O-OG 3.45Å; H125-K129 WeakPolarHBondContact O-CB 3.5Å; H125-K129 WeakPolarHBondContact O-CG 2.99Å; H125-K129 PolarHBondContact O-N 2.73Å |
| 126 | R | 80.4 | Confident | 71.1 | Confident | 162 Ų | 162 | 85 Ų | 85 | 61% | 0.611 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.3 | -44.5 | 175.9 | -170.1 | -173.1 | -60.2 | -105.7 | 0.6 | 111.4 | E122 D123 F124 K129 K130 | E122-R126 WeakPolarHBondContact O-CB 3.37Å; E122-R126 PolarHBondContact O-N 3.04Å; D123-R126 PolarHBondContact O-N 2.95Å; F124-R126 VanDerWaalsContact C-N 3.34Å; F124-R126 PolarHBondContact O-N 2.84Å; R126-K129 PolarHBondContact O-N 3.25Å; R126-K130 PolarHBondContact O-N 2.64Å |
| 127 | A | 73.1 | Confident | 70.8 | Confident | 52 Ų | 52 | 85 Ų | 85 | 43% | 0.43 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D123 F124 K129 K130 | D123-A127 VanDerWaalsContact O-CB 3.26Å; D123-A127 WeakPolarHBondContact O-CB 3.35Å; D123-A127 PolarHBondContact O-N 2.81Å; F124-A127 PolarHBondContact O-N 3.44Å; A127-K129 VanDerWaalsContact C-N 3.33Å; A127-K129 PolarHBondContact O-N 3.28Å; A127-K130 PolarHBondContact O-N 2.89Å |
| 128 | S | 64.7 | Low | 70.1 | Confident | 76 Ų | 76 | 89.3 Ų | 89.3 | 53% | 0.531 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.4 | -24.7 | 178.1 | 72.2 | 0 | 0 | 0 | 0 | 114.1 | F124 H125 | F124-S128 WeakPolarHBondContact O-CB 3.21Å; F124-S128 PolarHBondContact O-N 3.18Å; F124-S128 PolarHBondContact O-OG 2.72Å; H125-S128 WeakPolarHBondContact CA-OG 3.48Å; H125-S128 PolarHBondContact O-N 3.11Å; H125-S128 PolarHBondContact O-OG 3.45Å |
| 129 | K | 67.7 | Low | 68.7 | Low | 169 Ų | 169 | 92 Ų | 92 | 74% | 0.735 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -87.2 | -10 | 177.7 | -74 | 179.4 | -179.2 | -177.7 | 0 | 113.7 | H125 R126 A127 | H125-K129 WeakPolarHBondContact O-CB 3.5Å; H125-K129 WeakPolarHBondContact O-CG 2.99Å; H125-K129 PolarHBondContact O-N 2.73Å; R126-K129 PolarHBondContact O-N 3.25Å; A127-K129 VanDerWaalsContact C-N 3.33Å; A127-K129 PolarHBondContact O-N 3.28Å |
| 130 | K | 58.9 | Low | 67.6 | Low | 149 Ų | 149 | 98.3 Ų | 98.3 | 65% | 0.648 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -66.3 | 125.7 | 174 | -73.3 | -172.5 | -178.7 | -175.8 | 0 | 108.3 | R126 A127 K132 | R126-K130 PolarHBondContact O-N 2.64Å; A127-K130 PolarHBondContact O-N 2.89Å; K130-K132 PolarHBondContact O-N 3.03Å |
| 131 | P | 46.3 | Very low | 67 | Low | 108 Ų | 108 | 99.7 Ų | 99.7 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | trans | -60.2 | 126.9 | 177.7 | 24.3 | -31.9 | 0 | 0 | 0 | 108.5 | Q133 | P131-Q133 PolarHBondContact O-N 3.12Š| ||
| 132 | K | 58.5 | Low | 65.1 | Low | 129 Ų | 129 | 105.7 Ų | 105.7 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | trans | -62.1 | 102.8 | 172 | -63.8 | -178.2 | 163.6 | -125.2 | 0 | 107.4 | K130 W134 E147 | K130-K132 PolarHBondContact O-N 3.03Å; K132-W134 HydrophobicContact CD-CZ2 4.45Å; K132-W134 PolarHBondContact O-N 3.49Å; K132-W134 PolarHBondContact O-NE1 2.99Å; K132-E147 HydrophobicContact CB-CG 4.33Å; K132-E147 WeakPolarHBondContact CD-OE1 3.47Å; K132-E147 WeakPolarHBondContact CE-OE1 3.49Å; K132-E147 WeakPolarHBondContact CG-OE1 3.21Å; K132-E147 VanDerWaalsContact NZ-CD 3.29Å; K132-E147 IonicContact NZ-OE1 2.99Å; K132-E147 PolarHBondContact NZ-OE1 3.34Å; K132-E147 IonicContact NZ-OE2 3.41Å; K132-E147 PolarHBondContact NZ-OE2 3.32Å | ||
| 133 | Q | 58.6 | Low | 64.3 | Low | 125 Ų | 125 | 108.3 Ų | 108.3 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | trans | -78.5 | 118.7 | 174.1 | -84.1 | -176.2 | -9.3 | 0 | 0 | 108.2 | P131 K148 | P131-Q133 PolarHBondContact O-N 3.12Å; Q133-K148 HydrophobicContact CB-CB 4.44Å; Q133-K148 PolarHBondContact O-N 3.18Å | ||
| 134 | W | 60 | Low | 63.5 | Low | 141 Ų | 141 | 107.5 Ų | 107.5 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97 | 130 | 174.7 | -58.4 | 87 | 0 | 0 | 0 | 108.7 | K132 L145 L146 E147 | K132-W134 HydrophobicContact CD-CZ2 4.45Å; K132-W134 PolarHBondContact O-N 3.49Å; K132-W134 PolarHBondContact O-NE1 2.99Å; W134-L145 HydrophobicContact CB-CD2 3.48Å; W134-L145 VanDerWaalsContact CB-CD2 3.48Å; W134-L145 HydrophobicContact CE3-CB 4.12Å; W134-L145 HydrophobicContact CG-CD2 4.32Å; W134-L146 WeakPolarHBondContact CA-O 3.45Å; W134-E147 HydrophobicContact CE3-CB 4.05Å; W134-E147 HydrophobicContact CH2-CB 4.14Å; W134-E147 HydrophobicContact CZ3-CB 3.85Å |
| 135 | V | 67.7 | Low | 62.6 | Low | 52 Ų | 52 | 110.4 Ų | 110.4 | 32% | 0.315 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.4 | 169.6 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | V137 L146 K148 | V135-V137 HydrophobicContact CG1-CG2 4.18Å; V135-V137 PolarHBondContact O-N 2.81Å; V135-L146 PolarHBondContact N-O 3.14Å; V135-L146 PolarHBondContact O-N 3.02Å; V135-K148 HydrophobicContact CG2-CD 3.56Å; V135-K148 VanDerWaalsContact CG2-CE 3.46Å; V135-K148 HydrophobicContact CG2-CG 3.85Å |
| 136 | A | 60.7 | Low | 61.8 | Low | 46 Ų | 46 | 110.4 Ų | 110.4 | 38% | 0.38 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 115.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | K143 V144 | A136-K143 HydrophobicContact CB-CD 4.21Å; A136-K143 HydrophobicContact CB-CG 3.94Å; A136-V144 WeakPolarHBondContact CA-O 3.46Å |
| 137 | V | 69.3 | Low | 60.9 | Low | 55 Ų | 55 | 106.4 Ų | 106.4 | 33% | 0.333 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.5 | 173.3 | -174 | 0 | 0 | 0 | 0 | 107.4 | V135 M139 V144 L146 | V135-V137 HydrophobicContact CG1-CG2 4.18Å; V135-V137 PolarHBondContact O-N 2.81Å; V137-M139 HydrophobicContact CG1-CG 3.99Å; V137-V144 PolarHBondContact N-O 3.23Å; V137-V144 PolarHBondContact O-N 2.97Å; V137-L146 HydrophobicContact CB-CD1 4.14Å; V137-L146 HydrophobicContact CG2-CD1 3.91Å |
| 138 | C | 59.6 | Low | 60.2 | Low | 91 Ų | 91 | 110.1 Ų | 110.1 | 62% | 0.615 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 110.7 | 174.3 | -140.5 | 0 | 0 | 0 | 0 | 107.8 | Q142 | C138-Q142 WeakPolarHBondContact CA-O 3.19Å |
| 139 | M | 53.5 | Low | 59.2 | Low | 119 Ų | 119 | 112.4 Ų | 112.4 | 59% | 0.586 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.7 | 173.4 | -62.8 | -149.3 | 79.9 | 0 | 0 | 108.2 | V137 G141 Q142 | V137-M139 HydrophobicContact CG1-CG 3.99Å; M139-G141 VanDerWaalsContact C-N 3.27Å; M139-G141 PolarHBondContact O-N 3.25Å; M139-Q142 PolarHBondContact N-O 3.14Å; M139-Q142 PolarHBondContact O-N 3.16Å |
| 140 | Q | 61 | Low | 58.3 | Low | 200 Ų | 200 | 108.1 Ų | 108.1 | 94% | 0.935 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.4 | 39 | 177.5 | -56 | 172.7 | 8.5 | 0 | 0 | 113.6 | Q142 | Q140-Q142 PolarHBondContact O-N 3.41Š|
| 141 | G | 65.4 | Low | 57.4 | Low | 74 Ų | 74 | 106.3 Ų | 106.3 | 76% | 0.763 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.6 | 1.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | M139 | M139-G141 VanDerWaalsContact C-N 3.27Å; M139-G141 PolarHBondContact O-N 3.25Å |
| 142 | Q | 41.8 | Very low | 56.8 | Low | 144 Ų | 144 | 110.6 Ų | 110.6 | 67% | 0.673 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 132.9 | 172.9 | -69.6 | -172.9 | -38.3 | 0 | 0 | 111.3 | C138 M139 Q140 V144 | C138-Q142 WeakPolarHBondContact CA-O 3.19Å; M139-Q142 PolarHBondContact N-O 3.14Å; M139-Q142 PolarHBondContact O-N 3.16Å; Q140-Q142 PolarHBondContact O-N 3.41Å; Q142-V144 PolarHBondContact O-N 3.22Å |
| 143 | K | 65.5 | Low | 55.6 | Low | 164 Ų | 164 | 113.6 Ų | 113.6 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -82.4 | 111.3 | 177.6 | -171.1 | 178.5 | -177.7 | 179.2 | 0 | 109.6 | A136 | A136-K143 HydrophobicContact CB-CD 4.21Å; A136-K143 HydrophobicContact CB-CG 3.94Å |
| 144 | V | 64.4 | Low | 54.1 | Low | 66 Ų | 66 | 110.7 Ų | 110.7 | 40% | 0.4 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.5 | 178 | -175 | 0 | 0 | 0 | 0 | 109.2 | A136 V137 Q142 | A136-V144 WeakPolarHBondContact CA-O 3.46Å; V137-V144 PolarHBondContact N-O 3.23Å; V137-V144 PolarHBondContact O-N 2.97Å; Q142-V144 PolarHBondContact O-N 3.22Å |
| 145 | L | 60.9 | Low | 53 | Low | 106 Ų | 106 | 113.4 Ų | 113.4 | 56% | 0.555 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.9 | 174.8 | -84.4 | 137.1 | 0 | 0 | 0 | 109.4 | W134 | W134-L145 HydrophobicContact CB-CD2 3.48Å; W134-L145 VanDerWaalsContact CB-CD2 3.48Å; W134-L145 HydrophobicContact CE3-CB 4.12Å; W134-L145 HydrophobicContact CG-CD2 4.32Å |
| 146 | L | 59.9 | Low | 51.1 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 47% | 0.471 | 67% | 0.673 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 134 | 176.2 | -71.5 | 166.6 | 0 | 0 | 0 | 110.1 | W134 V135 V137 K148 | W134-L146 WeakPolarHBondContact CA-O 3.45Å; V135-L146 PolarHBondContact N-O 3.14Å; V135-L146 PolarHBondContact O-N 3.02Å; V137-L146 HydrophobicContact CB-CD1 4.14Å; V137-L146 HydrophobicContact CG2-CD1 3.91Å; L146-K148 PolarHBondContact O-N 3.39Å |
| 147 | E | 60.7 | Low | 49.5 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 36% | 0.364 | 69% | 0.694 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.7 | 119.2 | 174.9 | -172.2 | 174.4 | 174.7 | 0 | 0 | 109 | K132 W134 T149 | K132-E147 HydrophobicContact CB-CG 4.33Å; K132-E147 WeakPolarHBondContact CD-OE1 3.47Å; K132-E147 WeakPolarHBondContact CE-OE1 3.49Å; K132-E147 WeakPolarHBondContact CG-OE1 3.21Å; K132-E147 VanDerWaalsContact NZ-CD 3.29Å; K132-E147 IonicContact NZ-OE1 2.99Å; K132-E147 PolarHBondContact NZ-OE1 3.34Å; K132-E147 IonicContact NZ-OE2 3.41Å; K132-E147 PolarHBondContact NZ-OE2 3.32Å; W134-E147 HydrophobicContact CE3-CB 4.05Å; W134-E147 HydrophobicContact CH2-CB 4.14Å; W134-E147 HydrophobicContact CZ3-CB 3.85Å; E147-T149 PolarHBondContact O-N 3.35Å |
| 148 | K | 59.7 | Low | 47.6 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 57% | 0.57 | 71% | 0.713 | S | S | * | * | trans | -68.5 | 97.7 | 173.3 | -93.8 | 179.6 | 165.8 | 168.9 | 0 | 109.1 | Q133 V135 L146 G150 | Q133-K148 HydrophobicContact CB-CB 4.44Å; Q133-K148 PolarHBondContact O-N 3.18Å; V135-K148 HydrophobicContact CG2-CD 3.56Å; V135-K148 VanDerWaalsContact CG2-CE 3.46Å; V135-K148 HydrophobicContact CG2-CG 3.85Å; L146-K148 PolarHBondContact O-N 3.39Å; K148-G150 PolarHBondContact O-N 3.23Å; K148-G150 VanDerWaalsContact O-N 3.15Å | ||
| 149 | T | 43 | Very low | 46.3 | Very low | 123 Ų | 123 | 132 Ų | 132 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | -73.6 | 102.7 | 164.7 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | E147 S151 | E147-T149 PolarHBondContact O-N 3.35Å; T149-S151 PolarHBondContact O-N 2.89Å | ||
| 150 | G | 49 | Very low | 45.2 | Very low | 79 Ų | 79 | 132 Ų | 132 | 81% | 0.814 | 73% | 0.725 | S | S | * | * | trans | -67.1 | 93.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K148 | K148-G150 PolarHBondContact O-N 3.23Å; K148-G150 VanDerWaalsContact O-N 3.15Å | ||
| 151 | S | 40.8 | Very low | 43.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | -162.2 | 94.9 | 155.2 | -101.5 | 0 | 0 | 0 | 0 | 108.5 | T149 | T149-S151 PolarHBondContact O-N 2.89Š| ||
| 152 | Q | 32.3 | Very low | 41.9 | Very low | 198 Ų | 198 | 136.2 Ų | 136.2 | 93% | 0.925 | 72% | 0.722 | S | S | * | * | trans | -171.9 | 90.3 | 143.8 | -101.9 | 173.4 | 51 | 0 | 0 | 107.3 | ||||
| 153 | L | 33.1 | Very low | 41.3 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 100% | 1.005 | 73% | 0.728 | S | S | * | * | trans | -79.9 | 116.8 | 147.6 | -92.2 | 160.8 | 0 | 0 | 0 | 104.8 | ||||
| 154 | G | 27 | Very low | 39.7 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | trans | -164.6 | 101.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 155 | E | 37 | Very low | 38.1 | Very low | 198 Ų | 198 | 138.8 Ų | 138.8 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | trans | -50.4 | 136.5 | 178.3 | -67.7 | 158.2 | 101.1 | 0 | 0 | 111.4 | ||||
| 156 | Q | 27.9 | Very low | 36.6 | Very low | 194 Ų | 194 | 140 Ų | 140 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | -131.7 | 104.9 | 157.3 | -84.4 | -175.1 | 0.3 | 0 | 0 | 108.6 | ||||
| 157 | E | 28 | Very low | 35.2 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -59.8 | 128.1 | 151.2 | -79.6 | -102.3 | 97 | 0 | 0 | 109.3 | ||||
| 158 | L | 30.1 | Very low | 33.8 | Very low | 140 Ų | 140 | 153.7 Ų | 153.7 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | 26.2 | 144.7 | 149.5 | -96.5 | 101.8 | 0 | 0 | 0 | 121.4 | ||||
| 159 | P | 31.3 | Very low | 32.2 | Very low | 124 Ų | 124 | 153 Ų | 153 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | -140.5 | 150.8 | 77.3 | 32.6 | -13 | 0 | 0 | 0 | 117.8 | |||||
| 160 | D | 30.2 | Very low | 31.6 | Very low | 120 Ų | 120 | 154 Ų | 154 | 64% | 0.642 | 81% | 0.81 | S | S | * | * | trans | -26.4 | 127.8 | 161.2 | -160.2 | 4.3 | 0 | 0 | 0 | 115.8 | ||||
| 161 | F | 25.8 | Very low | 30.7 | Very low | 201 Ų | 201 | 160.3 Ų | 160.3 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -149.7 | 106.5 | 155.9 | -110.7 | -82 | 0 | 0 | 0 | 109.6 | ||||
| 162 | Q | 31.8 | Very low | 30.1 | Very low | 162 Ų | 162 | 162.3 Ų | 162.3 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 139.9 | 171 | -65 | -149.6 | -47.4 | 0 | 0 | 112.2 | ||
| 163 | P | 30.1 | Very low | 30 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 119 | 156.5 | 1.2 | 18 | 0 | 0 | 0 | 109.6 | ||
| 164 | Q | 30.1 | Very low | 29.8 | Very low | 181 Ų | 181 | 154.5 Ų | 154.5 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 144.8 | 168.6 | -65 | -168.7 | 8.5 | 0 | 0 | 111.2 | ||
| 165 | T | 31 | Very low | 30.7 | Very low | 125 Ų | 125 | 156.9 Ų | 156.9 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 158.2 | 174.2 | 52.7 | 0 | 0 | 0 | 0 | 112 | ||
| 166 | P | 30.4 | Very low | 30.3 | Very low | 130 Ų | 130 | 152 Ų | 152 | 84% | 0.844 | 79% | 0.786 | S | S | * | * | trans | -115.1 | 135.9 | 134.1 | 2 | 17.9 | 0 | 0 | 0 | 110.8 | ||||
| 167 | R | 29.5 | Very low | 30.5 | Very low | 235 Ų | 235 | 150.8 Ų | 150.8 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -67 | 163 | 175.4 | -91.5 | -178.4 | 158.8 | -163.1 | -4.1 | 113.6 | ||||
| 168 | R | 31.3 | Very low | 31.1 | Very low | 221 Ų | 221 | 147.7 Ų | 147.7 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 102.8 | 130.1 | 158.8 | -71.2 | -167.5 | 167.7 | 154.4 | -0.8 | 114 | ||||
| 169 | D | 26.9 | Very low | 31.2 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | cis | -158.9 | 148.6 | 7.9 | -96.9 | -35 | 0 | 0 | 0 | 110.3 | ||||
| 170 | L | 29.3 | Very low | 31.2 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | 45.8 | 128.7 | 144 | -79.2 | 124.9 | 0 | 0 | 0 | 122.7 | ||||
| 171 | R | 31.3 | Very low | 31.2 | Very low | 211 Ų | 211 | 148.1 Ų | 148.1 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | 112.5 | 93.5 | 129.1 | -129.7 | 164.9 | -156.5 | -136.8 | 4.3 | 115.3 | |||||
| 172 | E | 28.5 | Very low | 31.3 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | 95.1 | 134.7 | 82 | -133.6 | 166.3 | 155.1 | 0 | 0 | 112.2 | |||||
| 173 | S | 30.6 | Very low | 31.2 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 97.2 | 89.3 | 155.4 | -44.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 174 | S | 28.4 | Very low | 31.1 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -68.8 | 177.9 | 133.3 | -146.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 175 | P | 45.4 | Very low | 31.1 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | cis | -141.3 | -172.1 | 5.6 | 38.9 | -17.1 | 0 | 0 | 0 | 115.4 | ||||
| 176 | A | 29.3 | Very low | 31.2 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 117.6 | 96.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 177 | E | 31.1 | Very low | 31.1 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -51.6 | 150.7 | 133 | -87.4 | -78.5 | 137.3 | 0 | 0 | 110.5 | ||||
| 178 | P | 41.4 | Very low | 31 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | -152.6 | 151.2 | 79.1 | 40.9 | -21.3 | 0 | 0 | 0 | 118 | |||||
| 179 | S | 30.9 | Very low | 32 | Very low | 89 Ų | 89 | 137.4 Ų | 137.4 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | trans | 40.7 | 123.3 | 136.4 | 67.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 180 | Q | 31.8 | Very low | 32 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | -170.6 | 149.4 | 115.2 | -103.3 | 174.9 | 26.7 | 0 | 0 | 113.1 | |||||
| 181 | A | 29.5 | Very low | 31.9 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | -77.5 | 158.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 182 | G | 28.1 | Very low | 31.5 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | 178.1 | 89.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 183 | A | 30.6 | Very low | 31.4 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | 3.3 | 135 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 184 | Y | 28.3 | Very low | 31.3 | Very low | 227 Ų | 227 | 142 Ų | 142 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -146.6 | 137.6 | 136.2 | 61.6 | -88.3 | 0 | 0 | 0 | 111.8 | ||||
| 185 | D | 30.2 | Very low | 31.4 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -82 | 143 | -177.5 | -99.6 | -54.2 | 0 | 0 | 0 | 113.3 | ||||
| 186 | R | 31.8 | Very low | 31.2 | Very low | 220 Ų | 220 | 142 Ų | 142 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -9.1 | 126.3 | 145.9 | -91.2 | -175.6 | -172 | -154.1 | 4 | 118.8 | ||||
| 187 | L | 29.7 | Very low | 31.1 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | 156.5 | 132.1 | 114.5 | -83.1 | 160.4 | 0 | 0 | 0 | 113 | |||||
| 188 | S | 27.7 | Very low | 31 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -82.7 | -176.3 | 157.9 | -75.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 189 | P | 50.5 | Low | 30.4 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | cis | -131.6 | 163.1 | -44.1 | 33.2 | -17 | 0 | 0 | 0 | 111.6 | ||||
| 190 | H | 28 | Very low | 30.3 | Very low | 179 Ų | 179 | 152.9 Ų | 152.9 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | 165 | 155.9 | 135.8 | -105.8 | -93.5 | 0 | 0 | 0 | 112.9 | ||||
| 191 | H | 26.5 | Very low | 30.3 | Very low | 149 Ų | 149 | 149 Ų | 149 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | trans | 85.8 | 110.8 | 158.4 | -108.5 | -94.1 | 0 | 0 | 0 | 118.6 | ||||
| 192 | W | 23.5 | Very low | 30.5 | Very low | 231 Ų | 231 | 149.8 Ų | 149.8 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | -141.9 | 129.1 | 126.8 | 77 | -83.5 | 0 | 0 | 0 | 110.3 | |||||
| 193 | E | 26.2 | Very low | 30.7 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 54% | 0.542 | 79% | 0.79 | S | S | . | * | trans | -99.4 | 153.2 | 174.3 | -109.7 | -166.3 | 140.4 | 0 | 0 | 108.9 | ||||
| 194 | K | 28.5 | Very low | 30.6 | Very low | 157 Ų | 157 | 157 Ų | 157 | 68% | 0.683 | 79% | 0.792 | S | S | * | * | trans | 85.8 | 121.8 | 144.9 | -73.5 | 163.3 | -178.5 | 147.3 | 0 | 120.8 | ||||
| 195 | S | 30.4 | Very low | 30.8 | Very low | 110 Ų | 110 | 154.8 Ų | 154.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -63.5 | 179 | 174.8 | -41.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 196 | P | 40.4 | Very low | 30.6 | Very low | 120 Ų | 120 | 152.5 Ų | 152.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -143.4 | 133.9 | 100.1 | 31.5 | -13.5 | 0 | 0 | 0 | 116.7 | |||||
| 197 | L | 28.1 | Very low | 30.4 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 29.3 | 117 | 132.9 | -59.7 | 169.3 | 0 | 0 | 0 | 120.6 | ||||
| 198 | L | 28.5 | Very low | 30.7 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -144 | 147.7 | 133.8 | -103 | 163.8 | 0 | 0 | 0 | 109.6 | ||||
| 199 | Q | 28.7 | Very low | 30.7 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 137.8 | -149.4 | -66.8 | 158.8 | 4 | 0 | 0 | 114.6 | ||
| 200 | E | 28.6 | Very low | 29.7 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 143 | 162.7 | -71.8 | -73 | 136.3 | 0 | 0 | 110 | ||
| 201 | P | 33.2 | Very low | 29.7 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82 | 127.6 | 172.7 | 32 | -29.1 | 0 | 0 | 0 | 111.2 | ||
| 202 | T | 33.1 | Very low | 29.9 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 151.7 | 173.1 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 203 | P | 31.5 | Very low | 30 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -110.3 | 128.8 | 143.2 | 28.1 | -15.1 | 0 | 0 | 0 | 111.1 | ||||
| 204 | K | 29.1 | Very low | 29.9 | Very low | 198 Ų | 198 | 151.4 Ų | 151.4 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | trans | -67.9 | 139.3 | 176.9 | -72.9 | 176 | 175.4 | 176.9 | 0 | 111.5 | ||||
| 205 | L | 32.2 | Very low | 29.9 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 95% | 0.948 | 83% | 0.831 | S | S | * | * | trans | -69.7 | 129.2 | 163.5 | -72.7 | 163.6 | 0 | 0 | 0 | 110.4 | ||||
| 206 | A | 26.7 | Very low | 29.7 | Very low | 103 Ų | 103 | 150.9 Ų | 150.9 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -155.2 | 131.6 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 207 | G | 26.9 | Very low | 29.3 | Very low | 74 Ų | 74 | 153 Ų | 153 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | 87.3 | 98.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | E209 | G207-E209 PolarHBondContact O-N 2.96Š| ||
| 208 | T | 37 | Very low | 29.2 | Very low | 138 Ų | 138 | 154.6 Ų | 154.6 | 85% | 0.847 | 83% | 0.834 | S | S | * | * | trans | -45.4 | 122.6 | 148.9 | 45.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 209 | E | 26.2 | Very low | 29.4 | Very low | 195 Ų | 195 | 155.6 Ų | 155.6 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | trans | -165.5 | 134.6 | 143.1 | -74.5 | -142.3 | 127 | 0 | 0 | 110.3 | G207 | G207-E209 PolarHBondContact O-N 2.96Š| ||
| 210 | A | 29.6 | Very low | 29.4 | Very low | 91 Ų | 91 | 153.3 Ų | 153.3 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | -75.2 | 146.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R212 | A210-R212 PolarHBondContact O-N 3.46Š| ||
| 211 | P | 29.7 | Very low | 29.9 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -74.8 | 107.3 | 179.9 | 27.4 | -29.8 | 0 | 0 | 0 | 111.2 | M213 | P211-M213 PolarHBondContact O-N 2.92Š| ||
| 212 | R | 28.8 | Very low | 29.8 | Very low | 245 Ų | 245 | 151.9 Ų | 151.9 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -68.4 | 102.7 | 158.2 | -95.1 | -177 | 173.4 | -175.1 | 0.2 | 108.8 | A210 R214 | A210-R212 PolarHBondContact O-N 3.46Å; R212-R214 PolarHBondContact O-N 3.19Å; R212-R214 VanDerWaalsContact O-N 3.15Å | ||
| 213 | M | 26 | Very low | 29.6 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | trans | -71.6 | 105.1 | 164.2 | -73.5 | -69 | -164.8 | 0 | 0 | 109.3 | P211 | P211-M213 PolarHBondContact O-N 2.92Š| ||
| 214 | R | 25.6 | Very low | 29.5 | Very low | 217 Ų | 217 | 158.1 Ų | 158.1 | 82% | 0.819 | 83% | 0.83 | S | S | * | * | trans | -61.9 | 130.1 | 162 | -90.1 | -176.7 | 176.9 | -158.1 | 1.1 | 108.8 | R212 D216 | R212-R214 PolarHBondContact O-N 3.19Å; R212-R214 VanDerWaalsContact O-N 3.15Å; R214-D216 PolarHBondContact O-N 3.09Å | ||
| 215 | S | 27.3 | Very low | 29.5 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -86 | 91.1 | 166 | -58.5 | 0 | 0 | 0 | 0 | 107.6 | N217 | S215-N217 PolarHBondContact O-N 3.18Š| ||
| 216 | D | 27.1 | Very low | 29.3 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | trans | -73.9 | 104.4 | 165.4 | -77.3 | -48 | 0 | 0 | 0 | 108.3 | R214 K218 | R214-D216 PolarHBondContact O-N 3.09Å; D216-K218 PolarHBondContact O-N 3.15Å | ||
| 217 | N | 31.4 | Very low | 29.5 | Very low | 165 Ų | 165 | 154.3 Ų | 154.3 | 88% | 0.882 | 83% | 0.828 | S | S | * | * | trans | -82.8 | 90.9 | 165.8 | -156.3 | 36.1 | 0 | 0 | 0 | 106.4 | S215 | S215-N217 PolarHBondContact O-N 3.18Š| ||
| 218 | K | 27 | Very low | 29.9 | Very low | 196 Ų | 196 | 154.5 Ų | 154.5 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | -110.3 | 123 | 165.2 | -107 | -178.2 | 177.8 | -179.8 | 0 | 108.4 | D216 | D216-K218 PolarHBondContact O-N 3.15Š| ||
| 219 | E | 31.4 | Very low | 29.8 | Very low | 189 Ų | 189 | 152.8 Ų | 152.8 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -60 | 153.2 | 170.2 | -77.2 | 174.9 | 95.9 | 0 | 0 | 111.8 | ||||
| 220 | N | 29.3 | Very low | 30.5 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -26.8 | 154.2 | 175.7 | -158 | 31.4 | 0 | 0 | 0 | 117.9 | Q222 | N220-Q222 PolarHBondContact OD1-N 3.35Š| ||
| 221 | P | 39.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 71% | 0.708 | 83% | 0.826 | S | S | * | * | -138.1 | 155.5 | 98.5 | 34.5 | -19.8 | 0 | 0 | 0 | 115.5 | |||||
| 222 | Q | 29.5 | Very low | 31.5 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 72% | 0.715 | 81% | 0.814 | S | S | * | * | trans | 6.4 | 130.6 | 167.6 | -93.6 | 112.9 | -50.5 | 0 | 0 | 120 | N220 | N220-Q222 PolarHBondContact OD1-N 3.35Š| ||
| 223 | Q | 29.6 | Very low | 32.1 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -133.2 | 119.4 | 132.4 | -90 | -170.7 | -12.4 | 0 | 0 | 111.9 | ||||
| 224 | E | 28.6 | Very low | 32.9 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | -55.9 | 152 | 160.8 | -67 | -111.4 | 126.6 | 0 | 0 | 112.2 | ||||
| 225 | G | 31 | Very low | 33 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 87.9 | 68.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 226 | A | 27.9 | Very low | 33.2 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -138.5 | 106.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | G228 | A226-G228 PolarHBondContact O-N 3.41Š| ||
| 227 | K | 31.2 | Very low | 33.2 | Very low | 220 Ų | 220 | 133.7 Ų | 133.7 | 96% | 0.957 | 81% | 0.806 | S | S | * | * | trans | -58.8 | 124.7 | 178.7 | -64 | 175.5 | 178.6 | 178.4 | 0 | 110.2 | ||||
| 228 | G | 34 | Very low | 33.1 | Very low | 78 Ų | 78 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 68.6 | 57.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | A226 | A226-G228 PolarHBondContact O-N 3.41Š| ||
| 229 | A | 34.5 | Very low | 33.1 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -93.3 | 104.9 | 159 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 230 | K | 41.4 | Very low | 33.1 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | -64.4 | 132.5 | 177 | -67.9 | -179.2 | 178.9 | -179.4 | 0 | 109.6 | C232 | K230-C232 PolarHBondContact O-N 3.3Š| ||
| 231 | P | 42.6 | Very low | 33 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | -61.2 | 134.8 | 170.2 | 25.1 | -31.3 | 0 | 0 | 0 | 109.3 | A233 | P231-A233 VanDerWaalsContact C-N 3.29Å; P231-A233 PolarHBondContact O-N 2.79Å | ||
| 232 | C | 37.9 | Very low | 32.6 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 53% | 0.527 | 81% | 0.814 | S | S | . | * | trans | -68.2 | 90.8 | 170.1 | -73.2 | 0 | 0 | 0 | 0 | 108.9 | K230 | K230-C232 PolarHBondContact O-N 3.3Š| ||
| 233 | A | 42.3 | Very low | 32.4 | Very low | 93 Ų | 93 | 129.7 Ų | 129.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -75.3 | 119.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109 | P231 | P231-A233 VanDerWaalsContact C-N 3.29Å; P231-A233 PolarHBondContact O-N 2.79Å | ||
| 234 | V | 41 | Very low | 32.3 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 71% | 0.709 | 81% | 0.809 | S | S | * | * | trans | -86.4 | 112.2 | 166.3 | -172.2 | 0 | 0 | 0 | 0 | 106 | A236 | V234-A236 PolarHBondContact O-N 3.04Å; V234-A236 VanDerWaalsContact O-N 3.11Å | ||
| 235 | S | 29.5 | Very low | 32.3 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -62.9 | 107.9 | -178.6 | 43.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 236 | A | 31.2 | Very low | 32 | Very low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -93.4 | 103.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V234 R238 | V234-A236 PolarHBondContact O-N 3.04Å; V234-A236 VanDerWaalsContact O-N 3.11Å; A236-R238 PolarHBondContact O-N 3.32Å | ||
| 237 | G | 26.3 | Very low | 32.3 | Very low | 85 Ų | 85 | 130.4 Ų | 130.4 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 122.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 238 | R | 28.6 | Very low | 32.2 | Very low | 235 Ų | 235 | 128.2 Ų | 128.2 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -126.3 | 103.6 | 174.6 | -153.9 | 178.2 | -165.9 | -157 | 4.7 | 107.9 | A236 | A236-R238 PolarHBondContact O-N 3.32Š| ||
| 239 | S | 27.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -79.9 | 123.8 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 240 | K | 31.6 | Very low | 32.2 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -123 | 138.7 | 156.3 | -85.9 | -172 | 173.1 | -173.6 | 0 | 107.3 | ||||
| 241 | G | 28.5 | Very low | 31.4 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | -83.8 | -161.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 242 | N | 29.5 | Very low | 30.7 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | 88 | 116.9 | -165.5 | -53.7 | -7.9 | 0 | 0 | 0 | 110.6 | ||||
| 243 | G | 26.3 | Very low | 30.2 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | cis | 102.9 | 100.9 | 28.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 244 | L | 28.1 | Very low | 29.6 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | 171.4 | 118.1 | 150.2 | -93.3 | 152.9 | 0 | 0 | 0 | 111.9 | ||||
| 245 | Q | 27.2 | Very low | 29 | Very low | 179 Ų | 179 | 135.3 Ų | 135.3 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | 35.5 | 124.9 | 143.5 | -85.1 | 146.9 | 0.8 | 0 | 0 | 122.9 | ||||
| 246 | S | 25.1 | Very low | 28.9 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -57.1 | 166.6 | 153.5 | -45 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 247 | P | 35.5 | Very low | 29.5 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | -139.1 | 153.6 | 79.1 | 27.6 | -7.1 | 0 | 0 | 0 | 115.7 | |||||
| 248 | E | 28.2 | Very low | 29.5 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -50.1 | 166.4 | 157.1 | -84 | -140.8 | 131.3 | 0 | 0 | 113 | ||||
| 249 | P | 39.6 | Very low | 29.4 | Very low | 83 Ų | 83 | 143 Ų | 143 | 54% | 0.539 | 81% | 0.806 | S | S | . | * | cis | -159.3 | 176.9 | 49.5 | 43.6 | -21.2 | 0 | 0 | 0 | 120.6 | ||||
| 250 | R | 28 | Very low | 29.3 | Very low | 233 Ų | 233 | 142.8 Ų | 142.8 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | 68.2 | 135 | 152.7 | -76.2 | 172.1 | -94.1 | -115 | 3.7 | 116.4 | ||||
| 251 | G | 25.4 | Very low | 29.2 | Very low | 69 Ų | 69 | 144.7 Ų | 144.7 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | 151.5 | 149.6 | 9.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 252 | A | 27.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | 66.9 | 154.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 253 | N | 28.1 | Very low | 29.1 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | cis | -167.2 | 159.4 | -29 | -170.4 | -0.4 | 0 | 0 | 0 | 103.9 | ||||
| 254 | M | 30.4 | Very low | 29.2 | Very low | 161 Ų | 161 | 155.2 Ų | 155.2 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -48.5 | 149.7 | 177.4 | -65 | -75.3 | 160.2 | 0 | 0 | 115 | ||||
| 255 | S | 27.3 | Very low | 29.2 | Very low | 119 Ų | 119 | 152.6 Ų | 152.6 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | 158.9 | 124.9 | 124.5 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 256 | E | 27.6 | Very low | 29.4 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -66.2 | -168.7 | 158.5 | -59.4 | -165.8 | 108.6 | 0 | 0 | 111.5 | ||||
| 257 | P | 43.3 | Very low | 29.8 | Very low | 105 Ų | 105 | 150.1 Ų | 150.1 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | cis | -131.7 | 173.4 | -16.5 | 22.1 | 1.9 | 0 | 0 | 0 | 113 | ||||
| 258 | R | 27.2 | Very low | 29.4 | Very low | 247 Ų | 247 | 151 Ų | 151 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | 177.4 | 140.4 | 126 | -98.7 | 174.2 | -165.1 | -123.9 | 3.2 | 113.9 | |||||
| 259 | L | 26.1 | Very low | 29.4 | Very low | 165 Ų | 165 | 147 Ų | 147 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -66.3 | 142.6 | 179.9 | -62 | 154.1 | 0 | 0 | 0 | 112.9 | ||||
| 260 | S | 25.8 | Very low | 28.8 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | 171.3 | 121.4 | 120.2 | -79.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 261 | R | 29.6 | Very low | 28.8 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | 161.8 | 119.2 | 107 | -161.5 | 169.6 | -151.8 | -132.1 | 3.1 | 109.7 | |||||
| 262 | R | 27.8 | Very low | 29 | Very low | 226 Ų | 226 | 152.1 Ų | 152.1 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -57 | 137.4 | 169.8 | -77.2 | 175.1 | 165.6 | -154 | -3 | 111 | ||||
| 263 | Q | 27.1 | Very low | 28.8 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -135.3 | 140.5 | 135.6 | -77.2 | -138.8 | 19.6 | 0 | 0 | 108.9 | ||||
| 264 | V | 28.6 | Very low | 28.8 | Very low | 111 Ų | 111 | 154.2 Ų | 154.2 | 67% | 0.673 | 81% | 0.814 | S | S | * | * | trans | -113.5 | 122.4 | -170 | 169.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 265 | S | 28.8 | Very low | 28.9 | Very low | 105 Ų | 105 | 152.8 Ų | 152.8 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 72.3 | 144.8 | 147 | -62 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 266 | P | 30.8 | Very low | 28.8 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | -132.3 | 168.7 | 52.7 | 31.7 | -10.7 | 0 | 0 | 0 | 117.1 | |||||
| 267 | P | 33.5 | Very low | 29.1 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -86.9 | 164.8 | -175 | 36.5 | -32.8 | 0 | 0 | 0 | 111.8 | ||||
| 268 | N | 27.1 | Very low | 28.5 | Very low | 147 Ų | 147 | 155.5 Ų | 155.5 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | trans | 102.1 | 96.2 | 164.7 | -154.3 | 16.1 | 0 | 0 | 0 | 116.1 | ||||
| 269 | A | 27.2 | Very low | 28.9 | Very low | 92 Ų | 92 | 151.9 Ų | 151.9 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -151.1 | 124.5 | 141.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | K271 | A269-K271 PolarHBondContact O-N 3.21Š| ||
| 270 | Q | 28.3 | Very low | 29.1 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 128.7 | -175 | -73.6 | 112.7 | -14.4 | 0 | 0 | 112.7 | ||
| 271 | K | 27.6 | Very low | 29.3 | Very low | 194 Ų | 194 | 152.1 Ų | 152.1 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 126 | 161.5 | -67.2 | 177.7 | 179.8 | 179.7 | 0 | 107.9 | A269 F273 | A269-K271 PolarHBondContact O-N 3.21Å; K271-F273 PolarHBondContact O-N 3.3Å |
| 272 | P | 29.2 | Very low | 29.4 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 129.3 | 170.7 | 25.2 | -28.4 | 0 | 0 | 0 | 109 | A274 | P272-A274 PolarHBondContact O-N 2.95Š|
| 273 | F | 24.1 | Very low | 29.3 | Very low | 206 Ų | 206 | 139.8 Ų | 139.8 | 90% | 0.904 | 73% | 0.728 | S | S | * | * | trans | -43.1 | 125.7 | 172.8 | -93.4 | -108.4 | 0 | 0 | 0 | 110.9 | K271 H275 | K271-F273 PolarHBondContact O-N 3.3Å; F273-H275 PolarHBondContact O-N 3.08Å | ||
| 274 | A | 28 | Very low | 29.5 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -57.6 | 107.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | P272 Y276 | P272-A274 PolarHBondContact O-N 2.95Å; A274-Y276 VanDerWaalsContact C-N 3.35Å; A274-Y276 PolarHBondContact O-N 3.48Å | ||
| 275 | H | 31.9 | Very low | 29.4 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 60% | 0.602 | 72% | 0.716 | S | S | * | * | trans | -65.7 | 96.2 | 177.1 | -178.8 | -78 | 0 | 0 | 0 | 108.5 | F273 Q277 | F273-H275 PolarHBondContact O-N 3.08Å; H275-Q277 PolarHBondContact O-N 3.39Å | ||
| 276 | Y | 26.2 | Very low | 29.3 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 73% | 0.725 | 71% | 0.705 | S | S | * | * | trans | -61.5 | 97.1 | 172.6 | -162.5 | -83.8 | 0 | 0 | 0 | 107.7 | A274 R278 | A274-Y276 VanDerWaalsContact C-N 3.35Å; A274-Y276 PolarHBondContact O-N 3.48Å; Y276-R278 HydrophobicContact CD1-CG 3.81Å; Y276-R278 HydrophobicContact CE1-CG 3.95Å; Y276-R278 PolarHBondContact O-N 3.02Å | ||
| 277 | Q | 32.6 | Very low | 29 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 68% | 0.678 | 70% | 0.698 | S | S | * | * | trans | -65.1 | 87.1 | 172 | -81 | 176.4 | -14.7 | 0 | 0 | 108.4 | H275 H279 | H275-Q277 PolarHBondContact O-N 3.39Å; Q277-H279 PolarHBondContact O-N 3.34Å | ||
| 278 | R | 31.1 | Very low | 28.7 | Very low | 133 Ų | 133 | 136 Ų | 136 | 50% | 0.502 | 70% | 0.695 | S | S | . | * | trans | -65.5 | 102.6 | 161.8 | -87.5 | 177.1 | -179.2 | 128 | -1 | 106.7 | Y276 C280 | Y276-R278 HydrophobicContact CD1-CG 3.81Å; Y276-R278 HydrophobicContact CE1-CG 3.95Å; Y276-R278 PolarHBondContact O-N 3.02Å; R278-C280 PolarHBondContact O-N 2.8Å | ||
| 279 | H | 35 | Very low | 28.6 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | trans | -59.8 | 89.7 | 159.4 | -76.1 | -86.9 | 0 | 0 | 0 | 108.2 | Q277 R281 | Q277-H279 PolarHBondContact O-N 3.34Å; H279-R281 VanDerWaalsContact C-N 3.32Å; H279-R281 PolarHBondContact O-N 3.35Å | ||
| 280 | C | 30.1 | Very low | 28.5 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 58% | 0.581 | 70% | 0.701 | S | S | * | * | trans | -66.7 | 99.7 | 161.9 | -89.2 | 0 | 0 | 0 | 0 | 106.7 | R278 V282 | R278-C280 PolarHBondContact O-N 2.8Å; C280-V282 PolarHBondContact O-N 3.01Å | ||
| 281 | R | 31.7 | Very low | 28.4 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | trans | -62.2 | 81 | 163.5 | -171.1 | 172.1 | 177.2 | -174.4 | -8.3 | 107.7 | H279 E283 | H279-R281 VanDerWaalsContact C-N 3.32Å; H279-R281 PolarHBondContact O-N 3.35Å; R281-E283 HydrophobicContact CG-CG 4.44Å; R281-E283 IonicContact CZ-OE1 2.69Å; R281-E283 IonicContact NE-OE1 2.73Å; R281-E283 PolarHBondContact NE-OE1 3.36Å; R281-E283 IonicContact NH2-OE1 3.4Å; R281-E283 PolarHBondContact NH2-OE1 3.41Å; R281-E283 PolarHBondContact O-N 3.48Å | ||
| 282 | V | 30.6 | Very low | 28.3 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 56% | 0.558 | 69% | 0.694 | S | S | * | * | trans | -68.8 | 94.7 | 160.8 | -178.2 | 0 | 0 | 0 | 0 | 103.9 | C280 Y284 | C280-V282 PolarHBondContact O-N 3.01Å; V282-Y284 PolarHBondContact O-N 3.41Å | ||
| 283 | E | 26.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 52% | 0.519 | 69% | 0.694 | S | S | . | * | trans | -50.8 | 94.5 | 164.4 | -79.5 | -69.3 | 137.5 | 0 | 0 | 107.1 | R281 I285 | R281-E283 HydrophobicContact CG-CG 4.44Å; R281-E283 IonicContact CZ-OE1 2.69Å; R281-E283 IonicContact NE-OE1 2.73Å; R281-E283 PolarHBondContact NE-OE1 3.36Å; R281-E283 IonicContact NH2-OE1 3.4Å; R281-E283 PolarHBondContact NH2-OE1 3.41Å; R281-E283 PolarHBondContact O-N 3.48Å; E283-I285 PolarHBondContact O-N 3.38Å | ||
| 284 | Y | 30.5 | Very low | 28.6 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 64% | 0.639 | 69% | 0.693 | S | S | * | * | trans | -66.7 | 95.7 | 161.3 | -179 | -114.2 | 0 | 0 | 0 | 104.3 | V282 S286 | V282-Y284 PolarHBondContact O-N 3.41Å; Y284-S286 WeakPolarHBondContact CD1-OG 3.32Å; Y284-S286 WeakPolarHBondContact CE1-OG 3.43Å; Y284-S286 PolarHBondContact O-N 3.03Å | ||
| 285 | I | 26.7 | Very low | 28.6 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 66% | 0.662 | 70% | 0.698 | S | S | * | * | trans | -66.9 | 75.5 | 164.2 | -52.8 | 176 | 0 | 0 | 0 | 106.1 | E283 S287 | E283-I285 PolarHBondContact O-N 3.38Å; I285-S287 PolarHBondContact O-N 3.35Å; I285-S287 VanDerWaalsContact O-N 3.11Å | ||
| 286 | S | 27.3 | Very low | 28.4 | Very low | 72 Ų | 72 | 143.9 Ų | 143.9 | 50% | 0.503 | 71% | 0.709 | S | S | . | * | trans | -70 | 88.5 | 147.6 | 27.5 | 0 | 0 | 0 | 0 | 106.1 | Y284 P288 | Y284-S286 WeakPolarHBondContact CD1-OG 3.32Å; Y284-S286 WeakPolarHBondContact CE1-OG 3.43Å; Y284-S286 PolarHBondContact O-N 3.03Å; S286-P288 WeakPolarHBondContact O-CD 3.43Å | ||
| 287 | S | 23.5 | Very low | 28.6 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | trans | -52.4 | 123.5 | 155.6 | -56.9 | 0 | 0 | 0 | 0 | 107.1 | I285 L289 | I285-S287 PolarHBondContact O-N 3.35Å; I285-S287 VanDerWaalsContact O-N 3.11Å; S287-L289 PolarHBondContact O-N 3.12Å; S287-L289 VanDerWaalsContact O-N 3.14Å | ||
| 288 | P | 27.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | -61 | 120.5 | 167.5 | -14.5 | 27.9 | 0 | 0 | 0 | 106.5 | S286 K290 | S286-P288 WeakPolarHBondContact O-CD 3.43Å; P288-K290 PolarHBondContact O-N 3.33Å | ||
| 289 | L | 25.6 | Very low | 28.4 | Very low | 177 Ų | 177 | 148.7 Ų | 148.7 | 93% | 0.927 | 74% | 0.742 | S | S | * | * | trans | -62.1 | 90.7 | 162.9 | -76.3 | 166.4 | 0 | 0 | 0 | 106.7 | S287 S291 | S287-L289 PolarHBondContact O-N 3.12Å; S287-L289 VanDerWaalsContact O-N 3.14Å; L289-S291 PolarHBondContact O-N 2.85Å; L289-S291 VanDerWaalsContact O-N 3.15Å | ||
| 290 | K | 23.8 | Very low | 28 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | -67.1 | 105.8 | 163.3 | -74.2 | -178 | 179.4 | -179.7 | 0 | 106.1 | P288 H292 | P288-K290 PolarHBondContact O-N 3.33Å; K290-H292 PolarHBondContact O-N 3.45Å; K290-H292 VanDerWaalsContact O-N 3.1Å | ||
| 291 | S | 26.9 | Very low | 28.3 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | trans | -66.5 | 101.5 | 164.7 | 51.1 | 0 | 0 | 0 | 0 | 108.2 | L289 | L289-S291 PolarHBondContact O-N 2.85Å; L289-S291 VanDerWaalsContact O-N 3.15Å | ||
| 292 | H | 26.3 | Very low | 28.1 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 141.2 | 161.1 | -79.3 | -84.6 | 0 | 0 | 0 | 109 | K290 L294 | K290-H292 PolarHBondContact O-N 3.45Å; K290-H292 VanDerWaalsContact O-N 3.1Å; H292-L294 PolarHBondContact O-N 2.84Å |
| 293 | P | 31.8 | Very low | 28.1 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129.2 | 179.9 | -11.1 | 25.9 | 0 | 0 | 0 | 110.6 | R295 | P293-R295 PolarHBondContact O-N 3.43Š|
| 294 | L | 27.4 | Very low | 28.5 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 124.5 | 170.9 | -73.6 | 169.5 | 0 | 0 | 0 | 109.4 | H292 E296 | H292-L294 PolarHBondContact O-N 2.84Å; L294-E296 PolarHBondContact O-N 2.99Å |
| 295 | R | 27.8 | Very low | 28.4 | Very low | 242 Ų | 242 | 154.6 Ų | 154.6 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.1 | 167.4 | -93.2 | -179.2 | 174.6 | -165.1 | -1.6 | 109.7 | P293 L297 | P293-R295 PolarHBondContact O-N 3.43Å; R295-L297 PolarHBondContact O-N 3.45Å |
| 296 | E | 28.3 | Very low | 28.6 | Very low | 180 Ų | 180 | 153.7 Ų | 153.7 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | -54.4 | 110.9 | 171.1 | -71.7 | -79.5 | 136.9 | 0 | 0 | 111.4 | L294 | L294-E296 PolarHBondContact O-N 2.99Š| ||
| 297 | L | 30.3 | Very low | 28.9 | Very low | 160 Ų | 160 | 158.6 Ų | 158.6 | 84% | 0.838 | 84% | 0.836 | S | S | * | * | trans | -100.7 | 106 | 161.9 | -129.3 | 83.9 | 0 | 0 | 0 | 108.4 | R295 K299 | R295-L297 PolarHBondContact O-N 3.45Å; L297-K299 PolarHBondContact O-N 3.38Å | ||
| 298 | K | 28 | Very low | 29.3 | Very low | 202 Ų | 202 | 158.8 Ų | 158.8 | 88% | 0.878 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 122.3 | 173.2 | -69.1 | 177.9 | 177.1 | 176.4 | 0 | 109.8 | ||
| 299 | K | 30.2 | Very low | 29.5 | Very low | 202 Ų | 202 | 160.5 Ų | 160.5 | 88% | 0.878 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 121.2 | 165.8 | -78.2 | -176.2 | 177.5 | -179.7 | 0 | 110.3 | L297 | L297-K299 PolarHBondContact O-N 3.38Š|
| 300 | S | 27.9 | Very low | 30 | Very low | 122 Ų | 122 | 162.4 Ų | 162.4 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -77 | 154.9 | 167.1 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 301 | K | 35.3 | Very low | 30.8 | Very low | 205 Ų | 205 | 162 Ų | 162 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 154.5 | -167.5 | -64.5 | 168.2 | 174 | 173 | 0 | 113.2 | ||
| 302 | G | 28.2 | Very low | 31.9 | Very low | 82 Ų | 82 | 165.2 Ų | 165.2 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | trans | 162.7 | 128.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 303 | G | 29.8 | Very low | 32.7 | Very low | 85 Ų | 85 | 166.6 Ų | 166.6 | 88% | 0.876 | 85% | 0.849 | S | S | * | * | trans | 107.9 | 87.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 304 | K | 35.1 | Very low | 33.5 | Very low | 207 Ų | 207 | 169.5 Ų | 169.5 | 90% | 0.9 | 86% | 0.857 | S | S | * | * | trans | -75.2 | 129.4 | 161.2 | -63.4 | 174.1 | 179.5 | 177.2 | 0 | 109.5 | ||||
| 305 | R | 29.3 | Very low | 34.3 | Very low | 252 Ų | 252 | 164.5 Ų | 164.5 | 95% | 0.951 | 85% | 0.847 | S | S | * | * | trans | -143.9 | 122.9 | 146.1 | -71.1 | -166.6 | 178.6 | 164.3 | -0.4 | 109.4 | ||||
| 306 | S | 30.5 | Very low | 35.1 | Very low | 110 Ų | 110 | 162.2 Ų | 162.2 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | trans | -88.5 | 127 | 174.9 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 307 | L | 32.8 | Very low | 35.4 | Very low | 176 Ų | 176 | 161.8 Ų | 161.8 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -142.2 | 131.2 | 148.7 | -82.2 | -179.2 | 0 | 0 | 0 | 109.2 | ||||
| 308 | S | 31.7 | Very low | 36.3 | Very low | 93 Ų | 93 | 159.7 Ų | 159.7 | 65% | 0.65 | 84% | 0.84 | S | S | * | * | trans | -80.8 | 135.3 | -172.7 | 44.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 309 | N | 32 | Very low | 36.8 | Very low | 144 Ų | 144 | 155.5 Ų | 155.5 | 77% | 0.77 | 83% | 0.831 | S | S | * | * | 168.7 | 110.6 | 125.8 | -91.3 | -31.3 | 0 | 0 | 0 | 109.1 | |||||
| 310 | R | 37.6 | Very low | 37.4 | Very low | 218 Ų | 218 | 157.2 Ų | 157.2 | 82% | 0.823 | 83% | 0.832 | S | S | * | * | 69.5 | 89.9 | 88.5 | -167.4 | -171.3 | -69.2 | -131.5 | 1.5 | 112.7 | |||||
| 311 | L | 38.8 | Very low | 38.1 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 84% | 0.838 | 82% | 0.819 | S | S | * | * | trans | -156.3 | 141.1 | 131.2 | -130.2 | 79.3 | 0 | 0 | 0 | 109.7 | H313 | L311-H313 PolarHBondContact O-N 2.91Š| ||
| 312 | Q | 50.5 | Low | 39.2 | Very low | 184 Ų | 184 | 150 Ų | 150 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -68.1 | 121 | -169.7 | -60.8 | 154.7 | 21 | 0 | 0 | 110.9 | ||||
| 313 | H | 43.1 | Very low | 41.2 | Very low | 181 Ų | 181 | 154.1 Ų | 154.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -131.5 | 109.9 | 160.1 | -87 | -67.2 | 0 | 0 | 0 | 109.7 | L311 G315 | L311-H313 PolarHBondContact O-N 2.91Å; H313-G315 PolarHBondContact O-N 3.24Å | ||
| 314 | L | 49.3 | Very low | 43.6 | Very low | 184 Ų | 184 | 155.5 Ų | 155.5 | 96% | 0.963 | 79% | 0.789 | S | S | * | * | trans | -55.5 | 128.8 | 166.9 | -73.6 | 159.3 | 0 | 0 | 0 | 109.9 | ||||
| 315 | G | 44.6 | Very low | 46 | Very low | 66 Ų | 66 | 149.9 Ų | 149.9 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 104.9 | 12.8 | 141.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | H313 | H313-G315 PolarHBondContact O-N 3.24Š|
| 316 | H | 43.9 | Very low | 48.8 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 89% | 0.894 | 75% | 0.746 | S | S | * | * | trans | -119.7 | 75 | 166.8 | -79.4 | -15.8 | 0 | 0 | 0 | 112.1 | ||||
| 317 | Q | 35.1 | Very low | 51.6 | Low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -74 | 125.7 | 156.1 | -89.2 | -111.5 | 16.8 | 0 | 0 | 109 | T319 | Q317-T319 PolarHBondContact O-N 3.12Š| ||
| 318 | P | 48.5 | Very low | 54.4 | Low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -72 | 97.7 | 168.4 | -9.7 | 25.6 | 0 | 0 | 0 | 109 | R320 | P318-R320 PolarHBondContact O-N 2.73Š| ||
| 319 | T | 38.3 | Very low | 57.1 | Low | 115 Ų | 115 | 136.4 Ų | 136.4 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | -72 | 100.3 | 172.6 | 52.6 | 0 | 0 | 0 | 0 | 109.5 | Q317 S321 | Q317-T319 PolarHBondContact O-N 3.12Å; T319-S321 PolarHBondContact O-N 2.69Å | ||
| 320 | R | 42.8 | Very low | 59.6 | Low | 238 Ų | 238 | 134.6 Ų | 134.6 | 90% | 0.898 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -55 | 130.3 | 151.9 | -76 | 172.3 | 66 | 110.7 | -3.3 | 107.3 | P318 | P318-R320 PolarHBondContact O-N 2.73Š|
| 321 | S | 43.5 | Very low | 62.1 | Low | 82 Ų | 82 | 126.7 Ų | 126.7 | 57% | 0.573 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 80.4 | 103.1 | -170.2 | 75.8 | 0 | 0 | 0 | 0 | 114.9 | T319 K323 | T319-S321 PolarHBondContact O-N 2.69Å; S321-K323 PolarHBondContact O-N 3.43Å |
| 322 | A | 58.1 | Low | 64.4 | Low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 64% | 0.639 | S | S | * | * | trans | -69.6 | 72.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | K324 | A322-K324 PolarHBondContact O-N 3.4Å; A322-K324 VanDerWaalsContact O-N 3.16Å | ||
| 323 | K | 69.4 | Low | 66.1 | Low | 170 Ų | 170 | 118 Ų | 118 | 74% | 0.739 | 62% | 0.624 | S | S | * | * | trans | -68 | 112.3 | 164.9 | -67.8 | -175.6 | -179 | -179.3 | 0 | 106.1 | S321 P325 | S321-K323 PolarHBondContact O-N 3.43Å; K323-P325 VanDerWaalsContact C-CD 3.42Å; K323-P325 WeakPolarHBondContact O-CD 3.38Å | ||
| 324 | K | 80.8 | Confident | 68.4 | Low | 113 Ų | 113 | 111.5 Ų | 111.5 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | trans | -98.2 | 82.2 | 170.4 | -72 | 170.5 | 166.3 | -170.9 | 0 | 106.9 | A322 Y326 S334 F335 | A322-K324 PolarHBondContact O-N 3.4Å; A322-K324 VanDerWaalsContact O-N 3.16Å; K324-Y326 PolarHBondContact O-N 3.26Å; K324-S334 WeakPolarHBondContact CD-O 3.45Å; K324-S334 WeakPolarHBondContact O-CB 3.46Å; K324-F335 CarbonylContact C-O 3.56Å; K324-F335 VanDerWaalsContact C-O 3.26Å; K324-F335 VanDerWaalsContact CA-O 3.32Å; K324-F335 WeakPolarHBondContact CA-O 3.45Å | ||
| 325 | P | 84.7 | Confident | 70.3 | Confident | 90 Ų | 90 | 104.5 Ų | 104.5 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | trans | -71.1 | -16.7 | -167.8 | 28.8 | -36 | 0 | 0 | 0 | 113.1 | K323 K327 | K323-P325 VanDerWaalsContact C-CD 3.42Å; K323-P325 WeakPolarHBondContact O-CD 3.38Å; P325-K327 PolarHBondContact O-N 3.35Å | ||
| 326 | Y | 88.8 | Confident | 72.5 | Confident | 93 Ų | 93 | 104.5 Ų | 104.5 | 37% | 0.365 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 96.6 | -174.5 | -57.7 | -75 | 0 | 0 | 0 | 110.8 | K324 S334 F335 T336 N338 | K324-Y326 PolarHBondContact O-N 3.26Å; Y326-S334 CarbonylContact O-C 3.49Å; Y326-S334 WeakPolarHBondContact O-CA 3.33Å; Y326-F335 PolarHBondContact N-O 2.82Å; Y326-F335 PolarHBondContact O-N 2.78Å; Y326-T336 WeakPolarHBondContact CD2-O 3.44Å; Y326-T336 VanDerWaalsContact CE2-O 3.28Å; Y326-T336 WeakPolarHBondContact CE2-O 3.29Å; Y326-N338 HydrophobicContact CD1-CB 3.79Å; Y326-N338 VanDerWaalsContact CD2-N 3.29Å; Y326-N338 HydrophobicContact CE1-CB 3.6Å; Y326-N338 HydrophobicContact CE2-CB 4.4Å; Y326-N338 HydrophobicContact CG-CB 4.27Å |
| 327 | K | 89.3 | Confident | 74.6 | Confident | 128 Ų | 128 | 103 Ų | 103 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 141.2 | 179 | -169.1 | 177 | 175.4 | -173.3 | 0 | 111.4 | P325 K333 L341 | P325-K327 PolarHBondContact O-N 3.35Å; K327-K333 CarbonylContact C-O 3.5Å; K327-L341 WeakPolarHBondContact O-CD2 3.37Å |
| 328 | C | 90.9 | Very high | 77 | Confident | 0 Ų | 0 | 98 Ų | 98 | 0% | 0 | 51% | 0.513 | C | S | . | . | trans | -82.8 | 124.5 | 168.7 | 178 | 0 | 0 | 0 | 0 | 109.8 | D330 C331 G332 K333 F335 L341 H348 | C328-D330 VanDerWaalsContact C-N 3.31Å; C328-C331 VanDerWaalsContact SG-SG 3.67Å; C328-G332 WeakPolarHBondContact O-CA 3.42Å; C328-G332 PolarHBondContact O-N 2.91Å; C328-K333 WeakPolarHBondContact CB-O 3.44Å; C328-K333 PolarHBondContact N-O 3.5Å; C328-F335 HydrophobicContact CB-CE2 4.25Å; C328-L341 HydrophobicContact CB-CD1 3.64Å; C328-H348 PolarHBondContact SG-NE2 2.85Å | ||
| 329 | D | 89.8 | Confident | 78.8 | Confident | 127 Ų | 127 | 96.2 Ų | 96.2 | 68% | 0.679 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -33.4 | -179.5 | -47.8 | -58.1 | 0 | 0 | 0 | 111.6 | K345 | D329-K345 IonicContact OD2-NZ 2.98Å; D329-K345 PolarHBondContact OD2-NZ 3.13Å |
| 330 | D | 84.8 | Confident | 81.1 | Confident | 105 Ų | 105 | 93 Ų | 93 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -30.3 | -175.8 | -56.5 | -52.8 | 0 | 0 | 0 | 113.9 | C328 H348 | C328-D330 VanDerWaalsContact C-N 3.31Å; D330-H348 HydrophobicContact CB-CB 4.47Å; D330-H348 IonicContact OD2-CD2 3.44Å; D330-H348 IonicContact OD2-CG 3.12Å |
| 331 | C | 89 | Confident | 83.3 | Confident | 53 Ų | 53 | 82.3 Ų | 82.3 | 36% | 0.358 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138 | 6.7 | -176.6 | 72.8 | 0 | 0 | 0 | 0 | 115.5 | C328 K333 H344 H348 | C328-C331 VanDerWaalsContact SG-SG 3.67Å; C331-K333 PolarHBondContact O-N 2.75Å; C331-H344 PolarHBondContact SG-NE2 3.22Å; C331-H348 PolarHBondContact SG-NE2 3.37Å; C331-H348 VanDerWaalsContact SG-NE2 3.37Å |
| 332 | G | 86.4 | Confident | 85.3 | Confident | 34 Ų | 34 | 84.8 Ų | 84.8 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | trans | 70.4 | -2.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | C328 S334 | C328-G332 WeakPolarHBondContact O-CA 3.42Å; C328-G332 PolarHBondContact O-N 2.91Å; G332-S334 PolarHBondContact O-N 2.87Å | ||
| 333 | K | 87.3 | Confident | 86.6 | Confident | 126 Ų | 126 | 84.8 Ų | 84.8 | 55% | 0.548 | 42% | 0.422 | S | S | . | . | trans | -65.2 | 133.4 | 179.4 | -71.9 | 179.6 | -176.2 | 175.2 | 0 | 110.8 | K327 C328 C331 F335 | K327-K333 CarbonylContact C-O 3.5Å; C328-K333 WeakPolarHBondContact CB-O 3.44Å; C328-K333 PolarHBondContact N-O 3.5Å; C331-K333 PolarHBondContact O-N 2.75Å; K333-F335 HydrophobicContact CB-CE2 3.91Å; K333-F335 HydrophobicContact CB-CZ 3.96Å; K333-F335 WeakPolarHBondContact O-CE2 3.29Å | ||
| 334 | S | 90.3 | Very high | 87.5 | Confident | 45 Ų | 45 | 77.6 Ų | 77.6 | 32% | 0.315 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.5 | -179.1 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | K324 Y326 G332 | K324-S334 WeakPolarHBondContact CD-O 3.45Å; K324-S334 WeakPolarHBondContact O-CB 3.46Å; Y326-S334 CarbonylContact O-C 3.49Å; Y326-S334 WeakPolarHBondContact O-CA 3.33Å; G332-S334 PolarHBondContact O-N 2.87Å |
| 335 | F | 89.9 | Confident | 87.7 | Confident | 37 Ų | 37 | 75.7 Ų | 75.7 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 153.6 | -175.3 | -59.5 | -85.4 | 0 | 0 | 0 | 110.9 | K324 Y326 C328 K333 E340 L341 H344 | K324-F335 CarbonylContact C-O 3.56Å; K324-F335 VanDerWaalsContact C-O 3.26Å; K324-F335 VanDerWaalsContact CA-O 3.32Å; K324-F335 WeakPolarHBondContact CA-O 3.45Å; Y326-F335 PolarHBondContact N-O 2.82Å; Y326-F335 PolarHBondContact O-N 2.78Å; C328-F335 HydrophobicContact CB-CE2 4.25Å; K333-F335 HydrophobicContact CB-CE2 3.91Å; K333-F335 HydrophobicContact CB-CZ 3.96Å; K333-F335 WeakPolarHBondContact O-CE2 3.29Å; F335-E340 HydrophobicContact CB-CB 3.96Å; F335-E340 HydrophobicContact CD1-CB 3.78Å; F335-E340 HydrophobicContact CG-CB 4.09Å; F335-L341 HydrophobicContact CB-CB 4.38Å; F335-L341 HydrophobicContact CD2-CB 3.9Å; F335-L341 HydrophobicContact CD2-CD1 3.82Å; F335-L341 HydrophobicContact CD2-CG 4.47Å; F335-L341 HydrophobicContact CE2-CD1 3.99Å; F335-L341 HydrophobicContact CG-CB 4.32Å; F335-H344 HydrophobicContact CE1-CB 3.95Å; F335-H344 HydrophobicContact CE2-CB 3.84Å; F335-H344 AromaticContact CE2-CD2 3.31Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.33Å; F335-H344 AromaticContact CE2-CG 3.6Å; F335-H344 HydrophobicContact CZ-CB 3.43Å; F335-H344 VanDerWaalsContact CZ-CB 3.43Å; F335-H344 AromaticContact CZ-CD2 3.34Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.28Å; F335-H344 AromaticContact CZ-CG 3.17Å; F335-H344 AromaticContact CZ-ND1 3.69Å; F335-H344 AromaticContact CZ-NE2 3.87Å |
| 336 | T | 90.4 | Very high | 87.8 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -77.7 | -31.7 | 179.7 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | Y326 E340 | Y326-T336 WeakPolarHBondContact CD2-O 3.44Å; Y326-T336 VanDerWaalsContact CE2-O 3.28Å; Y326-T336 WeakPolarHBondContact CE2-O 3.29Å; T336-E340 PolarHBondContact N-OE2 3.38Å |
| 337 | W | 88.6 | Confident | 87.5 | Confident | 162 Ų | 162 | 75.4 Ų | 75.4 | 61% | 0.614 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -126.2 | 147.2 | 179.5 | -57.5 | -49.3 | 0 | 0 | 0 | 113.1 | S339 E340 L341 | W337-S339 PolarHBondContact O-N 2.98Å; W337-E340 HydrophobicContact CB-CG 4.26Å; W337-E340 HydrophobicContact CE3-CG 4.11Å; W337-E340 WeakPolarHBondContact O-CB 3.21Å; W337-E340 PolarHBondContact O-N 3.33Å; W337-E340 VanDerWaalsContact O-N 3.1Å; W337-L341 PolarHBondContact O-N 3.42Å |
| 338 | N | 86.1 | Confident | 87.3 | Confident | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.353 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 176.5 | -168.7 | 11.7 | 0 | 0 | 0 | 112.1 | Y326 E340 L341 K342 | Y326-N338 HydrophobicContact CD1-CB 3.79Å; Y326-N338 VanDerWaalsContact CD2-N 3.29Å; Y326-N338 HydrophobicContact CE1-CB 3.6Å; Y326-N338 HydrophobicContact CE2-CB 4.4Å; Y326-N338 HydrophobicContact CG-CB 4.27Å; N338-E340 VanDerWaalsContact C-N 3.25Å; N338-E340 PolarHBondContact O-N 3.32Å; N338-L341 PolarHBondContact O-N 3.46Å; N338-K342 WeakPolarHBondContact O-CG 3.43Å; N338-K342 PolarHBondContact O-N 3.1Å |
| 339 | S | 86.1 | Confident | 87 | Confident | 79 Ų | 79 | 77 Ų | 77 | 55% | 0.552 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.1 | -35.7 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 112.4 | W337 R343 | W337-S339 PolarHBondContact O-N 2.98Å; S339-R343 VanDerWaalsContact O-CB 3.31Å; S339-R343 WeakPolarHBondContact O-CB 3.43Å; S339-R343 PolarHBondContact O-N 3.49Å |
| 340 | E | 86.7 | Confident | 86.7 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -71.2 | -42 | 175.5 | -61.4 | -174.6 | 138.3 | 0 | 0 | 111.7 | F335 T336 W337 N338 R343 H344 | F335-E340 HydrophobicContact CB-CB 3.96Å; F335-E340 HydrophobicContact CD1-CB 3.78Å; F335-E340 HydrophobicContact CG-CB 4.09Å; T336-E340 PolarHBondContact N-OE2 3.38Å; W337-E340 HydrophobicContact CB-CG 4.26Å; W337-E340 HydrophobicContact CE3-CG 4.11Å; W337-E340 WeakPolarHBondContact O-CB 3.21Å; W337-E340 PolarHBondContact O-N 3.33Å; W337-E340 VanDerWaalsContact O-N 3.1Å; N338-E340 VanDerWaalsContact C-N 3.25Å; N338-E340 PolarHBondContact O-N 3.32Å; E340-R343 PolarHBondContact O-N 3.27Å; E340-H344 VanDerWaalsContact O-CB 3.23Å; E340-H344 WeakPolarHBondContact O-CB 3.49Å; E340-H344 PolarHBondContact O-N 3.35Å |
| 341 | L | 88.7 | Confident | 86.6 | Confident | 15 Ų | 15 | 72.7 Ų | 72.7 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 174.1 | 173.8 | 61 | 0 | 0 | 0 | 111.1 | K327 C328 F335 W337 N338 R343 H344 K345 | K327-L341 WeakPolarHBondContact O-CD2 3.37Å; C328-L341 HydrophobicContact CB-CD1 3.64Å; F335-L341 HydrophobicContact CB-CB 4.38Å; F335-L341 HydrophobicContact CD2-CB 3.9Å; F335-L341 HydrophobicContact CD2-CD1 3.82Å; F335-L341 HydrophobicContact CD2-CG 4.47Å; F335-L341 HydrophobicContact CE2-CD1 3.99Å; F335-L341 HydrophobicContact CG-CB 4.32Å; W337-L341 PolarHBondContact O-N 3.42Å; N338-L341 PolarHBondContact O-N 3.46Å; L341-R343 VanDerWaalsContact C-N 3.32Å; L341-R343 PolarHBondContact O-N 2.81Å; L341-H344 CarbonylContact O-C 3.57Å; L341-H344 WeakPolarHBondContact O-CA 3.22Å; L341-H344 WeakPolarHBondContact O-CB 3.4Å; L341-H344 PolarHBondContact O-N 3.45Å; L341-K345 HydrophobicContact CD1-CG 4.29Å; L341-K345 WeakPolarHBondContact O-CG 3.43Å; L341-K345 PolarHBondContact O-N 3.17Å |
| 342 | K | 86.1 | Confident | 86.5 | Confident | 134 Ų | 134 | 76 Ų | 76 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57 | -45.1 | 176.3 | -74.3 | -175.8 | -179.7 | -175.3 | 0 | 111.8 | N338 H344 K345 | N338-K342 WeakPolarHBondContact O-CG 3.43Å; N338-K342 PolarHBondContact O-N 3.1Å; K342-H344 VanDerWaalsContact C-N 3.3Å; K342-H344 PolarHBondContact O-N 3.45Å; K342-K345 PolarHBondContact O-N 2.91Å |
| 343 | R | 85 | Confident | 86.5 | Confident | 91 Ų | 91 | 77.8 Ų | 77.8 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 175.7 | -178.6 | 176.8 | 67 | 175.1 | -5.8 | 112.2 | S339 E340 L341 R346 R365 | S339-R343 VanDerWaalsContact O-CB 3.31Å; S339-R343 WeakPolarHBondContact O-CB 3.43Å; S339-R343 PolarHBondContact O-N 3.49Å; E340-R343 PolarHBondContact O-N 3.27Å; L341-R343 VanDerWaalsContact C-N 3.32Å; L341-R343 PolarHBondContact O-N 2.81Å; R343-R346 WeakPolarHBondContact O-CB 3.48Å; R343-R365 HydrophobicContact CG-CG 4.22Å |
| 344 | H | 87.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 9% | 0.093 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 176.9 | 171.6 | 65.9 | 0 | 0 | 0 | 112.1 | C331 F335 E340 L341 K342 R346 V347 H348 | C331-H344 PolarHBondContact SG-NE2 3.22Å; F335-H344 HydrophobicContact CE1-CB 3.95Å; F335-H344 HydrophobicContact CE2-CB 3.84Å; F335-H344 AromaticContact CE2-CD2 3.31Å; F335-H344 WeakPolarHBondContact CE2-CD2 3.33Å; F335-H344 AromaticContact CE2-CG 3.6Å; F335-H344 HydrophobicContact CZ-CB 3.43Å; F335-H344 VanDerWaalsContact CZ-CB 3.43Å; F335-H344 AromaticContact CZ-CD2 3.34Å; F335-H344 WeakPolarHBondContact CZ-CD2 3.28Å; F335-H344 AromaticContact CZ-CG 3.17Å; F335-H344 AromaticContact CZ-ND1 3.69Å; F335-H344 AromaticContact CZ-NE2 3.87Å; E340-H344 VanDerWaalsContact O-CB 3.23Å; E340-H344 WeakPolarHBondContact O-CB 3.49Å; E340-H344 PolarHBondContact O-N 3.35Å; L341-H344 CarbonylContact O-C 3.57Å; L341-H344 WeakPolarHBondContact O-CA 3.22Å; L341-H344 WeakPolarHBondContact O-CB 3.4Å; L341-H344 PolarHBondContact O-N 3.45Å; K342-H344 VanDerWaalsContact C-N 3.3Å; K342-H344 PolarHBondContact O-N 3.45Å; H344-R346 PolarHBondContact O-N 2.92Å; H344-R346 VanDerWaalsContact O-N 3.11Å; H344-V347 VanDerWaalsContact O-CB 3.24Å; H344-V347 WeakPolarHBondContact O-CB 3.47Å; H344-V347 WeakPolarHBondContact O-CG2 3.23Å; H344-V347 PolarHBondContact O-N 3.24Å; H344-H348 AromaticContact CE1-NE2 3.78Å; H344-H348 AromaticContact NE2-NE2 3.38Å; H344-H348 PolarHBondContact NE2-NE2 2.99Å |
| 345 | K | 85.1 | Confident | 86.5 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 32% | 0.317 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.1 | -28.4 | 175.2 | -73.9 | -167.8 | 172.5 | -162.9 | 0 | 112.7 | D329 L341 K342 V347 H348 T349 | D329-K345 IonicContact OD2-NZ 2.98Å; D329-K345 PolarHBondContact OD2-NZ 3.13Å; L341-K345 HydrophobicContact CD1-CG 4.29Å; L341-K345 WeakPolarHBondContact O-CG 3.43Å; L341-K345 PolarHBondContact O-N 3.17Å; K342-K345 PolarHBondContact O-N 2.91Å; K345-V347 PolarHBondContact O-N 2.94Å; K345-V347 VanDerWaalsContact O-N 3.15Å; K345-H348 WeakPolarHBondContact O-CB 3.43Å; K345-H348 PolarHBondContact O-N 3.37Å; K345-T349 PolarHBondContact O-N 3.26Å; K345-T349 PolarHBondContact O-OG1 2.92Å |
| 346 | R | 86 | Confident | 86.4 | Confident | 72 Ų | 72 | 75 Ų | 75 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.4 | -23.2 | 172.1 | -59.8 | -177.2 | -173.6 | 167.7 | -0.2 | 114.5 | R343 H344 H348 T349 G350 E351 G364 | R343-R346 WeakPolarHBondContact O-CB 3.48Å; H344-R346 PolarHBondContact O-N 2.92Å; H344-R346 VanDerWaalsContact O-N 3.11Å; R346-H348 VanDerWaalsContact C-N 3.32Å; R346-T349 WeakPolarHBondContact CA-OG1 3.35Å; R346-G350 WeakPolarHBondContact O-CA 3.38Å; R346-G350 PolarHBondContact O-N 2.86Å; R346-E351 HydrophobicContact CB-CB 4.34Å; R346-E351 HydrophobicContact CG-CB 4.26Å; R346-E351 PolarHBondContact O-N 3.42Å; R346-G364 PolarHBondContact NH1-O 3.41Å |
| 347 | V | 84.2 | Confident | 86.4 | Confident | 104 Ų | 104 | 75.9 Ų | 75.9 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -70.6 | -33.2 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | H344 K345 | H344-V347 VanDerWaalsContact O-CB 3.24Å; H344-V347 WeakPolarHBondContact O-CB 3.47Å; H344-V347 WeakPolarHBondContact O-CG2 3.23Å; H344-V347 PolarHBondContact O-N 3.24Å; K345-V347 PolarHBondContact O-N 2.94Å; K345-V347 VanDerWaalsContact O-N 3.15Å |
| 348 | H | 85.1 | Confident | 86.1 | Confident | 79 Ų | 79 | 74 Ų | 74 | 37% | 0.366 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -80.5 | -41.3 | 177.4 | -64 | -61.4 | 0 | 0 | 0 | 111.9 | C328 D330 C331 H344 K345 R346 G350 | C328-H348 PolarHBondContact SG-NE2 2.85Å; D330-H348 HydrophobicContact CB-CB 4.47Å; D330-H348 IonicContact OD2-CD2 3.44Å; D330-H348 IonicContact OD2-CG 3.12Å; C331-H348 PolarHBondContact SG-NE2 3.37Å; C331-H348 VanDerWaalsContact SG-NE2 3.37Å; H344-H348 AromaticContact CE1-NE2 3.78Å; H344-H348 AromaticContact NE2-NE2 3.38Å; H344-H348 PolarHBondContact NE2-NE2 2.99Å; K345-H348 WeakPolarHBondContact O-CB 3.43Å; K345-H348 PolarHBondContact O-N 3.37Å; R346-H348 VanDerWaalsContact C-N 3.32Å; H348-G350 VanDerWaalsContact C-N 3.32Å |
| 349 | T | 83.9 | Confident | 86 | Confident | 82 Ų | 82 | 72.5 Ų | 72.5 | 50% | 0.503 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -79.5 | -15.6 | 179.6 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | K345 R346 E351 | K345-T349 PolarHBondContact O-N 3.26Å; K345-T349 PolarHBondContact O-OG1 2.92Å; R346-T349 WeakPolarHBondContact CA-OG1 3.35Å; T349-E351 PolarHBondContact O-N 3.47Å; T349-E351 WeakPolarHBondContact OG1-CG 3.23Å; T349-E351 PolarHBondContact OG1-N 3.34Å |
| 350 | G | 83.5 | Confident | 86 | Confident | 32 Ų | 32 | 70.7 Ų | 70.7 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | trans | 70.7 | 10.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R346 H348 R352 | R346-G350 WeakPolarHBondContact O-CA 3.38Å; R346-G350 PolarHBondContact O-N 2.86Å; H348-G350 VanDerWaalsContact C-N 3.32Å; G350-R352 WeakPolarHBondContact O-CG 3.4Å; G350-R352 PolarHBondContact O-N 3.03Å | ||
| 351 | E | 83.2 | Confident | 85.9 | Confident | 111 Ų | 111 | 70.7 Ų | 70.7 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | trans | -64 | 124.4 | -179.5 | -78.8 | 178.2 | -172 | 0 | 0 | 112.1 | R346 T349 P353 | R346-E351 HydrophobicContact CB-CB 4.34Å; R346-E351 HydrophobicContact CG-CB 4.26Å; R346-E351 PolarHBondContact O-N 3.42Å; T349-E351 PolarHBondContact O-N 3.47Å; T349-E351 WeakPolarHBondContact OG1-CG 3.23Å; T349-E351 PolarHBondContact OG1-N 3.34Å; E351-P353 WeakPolarHBondContact O-CD 3.36Å | ||
| 352 | R | 86.9 | Confident | 85.9 | Confident | 122 Ų | 122 | 70.9 Ų | 70.9 | 46% | 0.46 | 39% | 0.386 | S | S | . | . | trans | -127.7 | 75.7 | 179.7 | -64.4 | 178 | 79 | 93.2 | -2.4 | 110.2 | G350 Y354 C362 F363 | G350-R352 WeakPolarHBondContact O-CG 3.4Å; G350-R352 PolarHBondContact O-N 3.03Å; R352-Y354 PolarHBondContact O-N 3.43Å; R352-C362 HydrophobicContact CB-CB 3.6Å; R352-C362 VanDerWaalsContact NE-C 3.32Å; R352-C362 PolarHBondContact NE-O 2.89Å; R352-C362 PolarHBondContact NH2-O 3.02Å; R352-F363 CarbonylContact C-O 3.23Å; R352-F363 VanDerWaalsContact CA-O 3.31Å; R352-F363 WeakPolarHBondContact CA-O 3.39Å | ||
| 353 | P | 85.7 | Confident | 86 | Confident | 72 Ų | 72 | 65 Ų | 65 | 47% | 0.468 | 36% | 0.361 | S | S | . | . | trans | -72.3 | -8.2 | -170.5 | 27.5 | -34.4 | 0 | 0 | 0 | 114.7 | E351 | E351-P353 WeakPolarHBondContact O-CD 3.36Š| ||
| 354 | Y | 89.6 | Confident | 85.9 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 29% | 0.286 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 110.4 | -175.4 | -55.9 | -76.7 | 0 | 0 | 0 | 111.1 | R352 C362 F363 Q366 | R352-Y354 PolarHBondContact O-N 3.43Å; Y354-C362 CarbonylContact O-C 3.55Å; Y354-C362 VanDerWaalsContact O-CA 3.3Å; Y354-C362 WeakPolarHBondContact O-CA 3.08Å; Y354-F363 WeakPolarHBondContact CD2-O 3.4Å; Y354-F363 PolarHBondContact N-O 2.8Å; Y354-F363 PolarHBondContact O-N 2.95Å; Y354-Q366 HydrophobicContact CD1-CB 3.88Å; Y354-Q366 HydrophobicContact CD1-CG 4.22Å; Y354-Q366 VanDerWaalsContact CD2-N 3.28Å; Y354-Q366 HydrophobicContact CE1-CB 3.69Å; Y354-Q366 HydrophobicContact CE1-CG 4.22Å; Y354-Q366 HydrophobicContact CE2-CB 4.33Å; Y354-Q366 VanDerWaalsContact CE2-N 3.29Å; Y354-Q366 HydrophobicContact CG-CB 4.29Å |
| 355 | T | 87.8 | Confident | 85.8 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.1 | -177 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | N361 C362 | T355-N361 CarbonylContact C-O 3.56Å; T355-N361 WeakPolarHBondContact CA-O 3.22Å; T355-C362 PolarHBondContact OG1-SG 2.98Å; T355-C362 VanDerWaalsContact OG1-SG 3.37Å |
| 356 | C | 88.8 | Confident | 86 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | trans | -76.4 | 121.1 | 169.7 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | E358 G360 N361 F363 L369 | C356-E358 PolarHBondContact O-N 2.76Å; C356-G360 VanDerWaalsContact O-CA 3.24Å; C356-G360 WeakPolarHBondContact O-CA 3.31Å; C356-G360 PolarHBondContact O-N 2.93Å; C356-N361 HydrophobicContact CB-CB 4.45Å; C356-N361 PolarHBondContact N-O 3.28Å; C356-F363 HydrophobicContact CB-CE2 4.32Å; C356-L369 HydrophobicContact CB-CD1 3.63Å | ||
| 357 | G | 89.6 | Confident | 86 | Confident | 84 Ų | 84 | 66.3 Ų | 66.3 | 87% | 0.866 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -23.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 358 | E | 83 | Confident | 86.2 | Confident | 122 Ų | 122 | 63.8 Ų | 63.8 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -33.7 | -175.7 | -62.2 | -177.7 | -139.3 | 0 | 0 | 113.6 | C356 H376 | C356-E358 PolarHBondContact O-N 2.76Å; E358-H376 WeakPolarHBondContact OE2-CB 3.4Å; E358-H376 IonicContact OE2-CD2 2.79Å; E358-H376 IonicContact OE2-CG 3.51Å; E358-H376 IonicContact OE2-ND1 3.32Å; E358-H376 PolarHBondContact OE2-ND1 3.18Å |
| 359 | C | 84.7 | Confident | 86.5 | Confident | 36 Ų | 36 | 61 Ų | 61 | 24% | 0.243 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 4.9 | -176 | 66.4 | 0 | 0 | 0 | 0 | 114.9 | N361 H372 H376 | C359-N361 PolarHBondContact O-N 2.99Å; C359-N361 PolarHBondContact SG-ND2 3.45Å; C359-H372 PolarHBondContact SG-NE2 3.23Å; C359-H376 PolarHBondContact SG-NE2 3.43Å; C359-H376 VanDerWaalsContact SG-NE2 3.44Å |
| 360 | G | 85.3 | Confident | 86.7 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 42% | 0.423 | 36% | 0.359 | S | S | . | . | trans | 69.6 | 0.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C356 C362 | C356-G360 VanDerWaalsContact O-CA 3.24Å; C356-G360 WeakPolarHBondContact O-CA 3.31Å; C356-G360 PolarHBondContact O-N 2.93Å; G360-C362 PolarHBondContact O-N 3.4Å | ||
| 361 | N | 84.4 | Confident | 87 | Confident | 46 Ų | 46 | 63.6 Ų | 63.6 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | trans | -65.6 | 126.9 | 179.3 | -79.8 | -42.6 | 0 | 0 | 0 | 111.2 | T355 C356 C359 F363 | T355-N361 CarbonylContact C-O 3.56Å; T355-N361 WeakPolarHBondContact CA-O 3.22Å; C356-N361 HydrophobicContact CB-CB 4.45Å; C356-N361 PolarHBondContact N-O 3.28Å; C359-N361 PolarHBondContact O-N 2.99Å; C359-N361 PolarHBondContact SG-ND2 3.45Å; N361-F363 HydrophobicContact CB-CE2 3.8Å; N361-F363 HydrophobicContact CB-CZ 3.87Å; N361-F363 WeakPolarHBondContact O-CD2 3.34Å; N361-F363 VanDerWaalsContact O-CE2 3.25Å; N361-F363 WeakPolarHBondContact O-CE2 3.5Å | ||
| 362 | C | 88.1 | Confident | 87.4 | Confident | 18 Ų | 18 | 59 Ų | 59 | 12% | 0.122 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 153.2 | 177.8 | -60.4 | 0 | 0 | 0 | 0 | 110.6 | R352 Y354 T355 G360 | R352-C362 HydrophobicContact CB-CB 3.6Å; R352-C362 VanDerWaalsContact NE-C 3.32Å; R352-C362 PolarHBondContact NE-O 2.89Å; R352-C362 PolarHBondContact NH2-O 3.02Å; Y354-C362 CarbonylContact O-C 3.55Å; Y354-C362 VanDerWaalsContact O-CA 3.3Å; Y354-C362 WeakPolarHBondContact O-CA 3.08Å; T355-C362 PolarHBondContact OG1-SG 2.98Å; T355-C362 VanDerWaalsContact OG1-SG 3.37Å; G360-C362 PolarHBondContact O-N 3.4Å |
| 363 | F | 87.9 | Confident | 87.5 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.9 | -179.9 | -60 | -85.3 | 0 | 0 | 0 | 111.4 | R352 Y354 C356 N361 R365 T368 L369 H372 | R352-F363 CarbonylContact C-O 3.23Å; R352-F363 VanDerWaalsContact CA-O 3.31Å; R352-F363 WeakPolarHBondContact CA-O 3.39Å; Y354-F363 WeakPolarHBondContact CD2-O 3.4Å; Y354-F363 PolarHBondContact N-O 2.8Å; Y354-F363 PolarHBondContact O-N 2.95Å; C356-F363 HydrophobicContact CB-CE2 4.32Å; N361-F363 HydrophobicContact CB-CE2 3.8Å; N361-F363 HydrophobicContact CB-CZ 3.87Å; N361-F363 WeakPolarHBondContact O-CD2 3.34Å; N361-F363 VanDerWaalsContact O-CE2 3.25Å; N361-F363 WeakPolarHBondContact O-CE2 3.5Å; F363-R365 VanDerWaalsContact C-N 3.28Å; F363-R365 PolarHBondContact O-N 3.37Å; F363-T368 HydrophobicContact CD1-CG2 3.55Å; F363-T368 HydrophobicContact CE1-CG2 4.13Å; F363-T368 HydrophobicContact CG-CG2 4.35Å; F363-L369 HydrophobicContact CB-CB 4.35Å; F363-L369 HydrophobicContact CD2-CB 3.84Å; F363-L369 HydrophobicContact CD2-CD1 3.73Å; F363-L369 HydrophobicContact CD2-CG 4.37Å; F363-L369 HydrophobicContact CE2-CD1 3.82Å; F363-L369 HydrophobicContact CG-CB 4.26Å; F363-H372 HydrophobicContact CE1-CB 4Å; F363-H372 HydrophobicContact CE2-CB 3.98Å; F363-H372 AromaticContact CE2-CD2 3.52Å; F363-H372 AromaticContact CE2-CG 3.71Å; F363-H372 HydrophobicContact CZ-CB 3.51Å; F363-H372 AromaticContact CZ-CD2 3.49Å; F363-H372 VanDerWaalsContact CZ-CD2 3.49Å; F363-H372 WeakPolarHBondContact CZ-CD2 3.17Å; F363-H372 AromaticContact CZ-CG 3.23Å; F363-H372 AromaticContact CZ-ND1 3.59Å; F363-H372 AromaticContact CZ-NE2 3.93Å |
| 364 | G | 83.8 | Confident | 87.7 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -75.2 | -14.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R346 | R346-G364 PolarHBondContact NH1-O 3.41Š|
| 365 | R | 86.5 | Confident | 87.7 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 32% | 0.317 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -139.9 | 139.1 | -176.3 | -57.8 | -179.8 | -174.3 | -171.5 | 1 | 111.1 | R343 F363 S367 T368 L369 | R343-R365 HydrophobicContact CG-CG 4.22Å; F363-R365 VanDerWaalsContact C-N 3.28Å; F363-R365 PolarHBondContact O-N 3.37Å; R365-S367 VanDerWaalsContact C-N 3.32Å; R365-S367 PolarHBondContact O-N 3.38Å; R365-T368 WeakPolarHBondContact O-CB 3.43Å; R365-T368 PolarHBondContact O-N 2.93Å; R365-L369 PolarHBondContact O-N 2.88Å |
| 366 | Q | 87.4 | Confident | 87.7 | Confident | 102 Ų | 102 | 56.7 Ų | 56.7 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 176.7 | -167.6 | -177 | 8.7 | 0 | 0 | 112.3 | Y354 T368 L369 K370 | Y354-Q366 HydrophobicContact CD1-CB 3.88Å; Y354-Q366 HydrophobicContact CD1-CG 4.22Å; Y354-Q366 VanDerWaalsContact CD2-N 3.28Å; Y354-Q366 HydrophobicContact CE1-CB 3.69Å; Y354-Q366 HydrophobicContact CE1-CG 4.22Å; Y354-Q366 HydrophobicContact CE2-CB 4.33Å; Y354-Q366 VanDerWaalsContact CE2-N 3.29Å; Y354-Q366 HydrophobicContact CG-CB 4.29Å; Q366-T368 VanDerWaalsContact C-N 3.25Å; Q366-T368 PolarHBondContact O-N 2.99Å; Q366-L369 WeakPolarHBondContact O-CB 3.44Å; Q366-L369 PolarHBondContact O-N 3.32Å; Q366-L369 VanDerWaalsContact O-N 3.17Å; Q366-K370 PolarHBondContact O-N 2.94Å |
| 367 | S | 87 | Confident | 87.7 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.2 | -35.8 | 177.2 | 59.1 | 0 | 0 | 0 | 0 | 112.3 | R365 L371 | R365-S367 VanDerWaalsContact C-N 3.32Å; R365-S367 PolarHBondContact O-N 3.38Å; S367-L371 WeakPolarHBondContact O-CB 3.3Å; S367-L371 PolarHBondContact O-N 3.5Å |
| 368 | T | 88.1 | Confident | 87.6 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 175.9 | -50.8 | 0 | 0 | 0 | 0 | 111.3 | F363 R365 Q366 L371 H372 | F363-T368 HydrophobicContact CD1-CG2 3.55Å; F363-T368 HydrophobicContact CE1-CG2 4.13Å; F363-T368 HydrophobicContact CG-CG2 4.35Å; R365-T368 WeakPolarHBondContact O-CB 3.43Å; R365-T368 PolarHBondContact O-N 2.93Å; Q366-T368 VanDerWaalsContact C-N 3.25Å; Q366-T368 PolarHBondContact O-N 2.99Å; T368-L371 PolarHBondContact O-N 3.13Å; T368-H372 WeakPolarHBondContact O-CB 3.21Å; T368-H372 PolarHBondContact O-N 2.87Å |
| 369 | L | 90.7 | Very high | 88 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.099 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 172.3 | 171.6 | 61.6 | 0 | 0 | 0 | 111.5 | C356 F363 R365 Q366 L371 H372 Q373 | C356-L369 HydrophobicContact CB-CD1 3.63Å; F363-L369 HydrophobicContact CB-CB 4.35Å; F363-L369 HydrophobicContact CD2-CB 3.84Å; F363-L369 HydrophobicContact CD2-CD1 3.73Å; F363-L369 HydrophobicContact CD2-CG 4.37Å; F363-L369 HydrophobicContact CE2-CD1 3.82Å; F363-L369 HydrophobicContact CG-CB 4.26Å; R365-L369 PolarHBondContact O-N 2.88Å; Q366-L369 WeakPolarHBondContact O-CB 3.44Å; Q366-L369 PolarHBondContact O-N 3.32Å; Q366-L369 VanDerWaalsContact O-N 3.17Å; L369-L371 VanDerWaalsContact C-N 3.28Å; L369-L371 PolarHBondContact O-N 3.02Å; L369-H372 CarbonylContact O-C 3.26Å; L369-H372 WeakPolarHBondContact O-CA 3.29Å; L369-H372 WeakPolarHBondContact O-CB 3.5Å; L369-H372 PolarHBondContact O-N 3.41Å; L369-Q373 HydrophobicContact CD1-CG 4.29Å; L369-Q373 WeakPolarHBondContact O-CG 3.47Å; L369-Q373 PolarHBondContact O-N 3.49Å |
| 370 | K | 89.1 | Confident | 88.3 | Confident | 123 Ų | 123 | 61.4 Ų | 61.4 | 54% | 0.535 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 177.9 | -73.4 | -173.8 | 176.9 | -173.5 | 0 | 112.2 | Q366 Q373 | Q366-K370 PolarHBondContact O-N 2.94Å; K370-Q373 PolarHBondContact O-N 2.96Å |
| 371 | L | 89.9 | Confident | 88.5 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 174.9 | 170.1 | 60.3 | 0 | 0 | 0 | 111.9 | S367 T368 L369 Q373 R374 Q393 | S367-L371 WeakPolarHBondContact O-CB 3.3Å; S367-L371 PolarHBondContact O-N 3.5Å; T368-L371 PolarHBondContact O-N 3.13Å; L369-L371 VanDerWaalsContact C-N 3.28Å; L369-L371 PolarHBondContact O-N 3.02Å; L371-Q373 VanDerWaalsContact C-N 3.3Å; L371-Q373 PolarHBondContact O-N 3.44Å; L371-R374 WeakPolarHBondContact O-CB 3.34Å; L371-R374 PolarHBondContact O-N 3.3Å; L371-Q393 HydrophobicContact CD1-CG 3.29Å; L371-Q393 HydrophobicContact CD2-CG 3.85Å; L371-Q393 VanDerWaalsContact CD2-NE2 3.29Å; L371-Q393 HydrophobicContact CG-CG 4.17Å |
| 372 | H | 90.3 | Very high | 88.9 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 7% | 0.069 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 175.9 | 169.6 | 77.5 | 0 | 0 | 0 | 112.1 | C359 F363 T368 L369 R374 I375 H376 | C359-H372 PolarHBondContact SG-NE2 3.23Å; F363-H372 HydrophobicContact CE1-CB 4Å; F363-H372 HydrophobicContact CE2-CB 3.98Å; F363-H372 AromaticContact CE2-CD2 3.52Å; F363-H372 AromaticContact CE2-CG 3.71Å; F363-H372 HydrophobicContact CZ-CB 3.51Å; F363-H372 AromaticContact CZ-CD2 3.49Å; F363-H372 VanDerWaalsContact CZ-CD2 3.49Å; F363-H372 WeakPolarHBondContact CZ-CD2 3.17Å; F363-H372 AromaticContact CZ-CG 3.23Å; F363-H372 AromaticContact CZ-ND1 3.59Å; F363-H372 AromaticContact CZ-NE2 3.93Å; T368-H372 WeakPolarHBondContact O-CB 3.21Å; T368-H372 PolarHBondContact O-N 2.87Å; L369-H372 CarbonylContact O-C 3.26Å; L369-H372 WeakPolarHBondContact O-CA 3.29Å; L369-H372 WeakPolarHBondContact O-CB 3.5Å; L369-H372 PolarHBondContact O-N 3.41Å; H372-R374 PolarHBondContact O-N 2.91Å; H372-I375 WeakPolarHBondContact O-CA 3.31Å; H372-I375 WeakPolarHBondContact O-CB 3.09Å; H372-I375 VanDerWaalsContact O-CG1 3.22Å; H372-I375 WeakPolarHBondContact O-CG1 3.29Å; H372-I375 PolarHBondContact O-N 3.46Å; H372-H376 AromaticContact NE2-NE2 3.43Å; H372-H376 PolarHBondContact NE2-NE2 3.01Å |
| 373 | Q | 89 | Confident | 89.2 | Confident | 76 Ų | 76 | 69.5 Ų | 69.5 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.9 | -29.7 | 176.1 | -74.5 | 172.5 | -39.8 | 0 | 0 | 113.1 | L369 K370 L371 I375 H376 T377 | L369-Q373 HydrophobicContact CD1-CG 4.29Å; L369-Q373 WeakPolarHBondContact O-CG 3.47Å; L369-Q373 PolarHBondContact O-N 3.49Å; K370-Q373 PolarHBondContact O-N 2.96Å; L371-Q373 VanDerWaalsContact C-N 3.3Å; L371-Q373 PolarHBondContact O-N 3.44Å; Q373-I375 PolarHBondContact O-N 3.23Å; Q373-H376 WeakPolarHBondContact O-CB 3.37Å; Q373-H376 PolarHBondContact O-N 2.86Å; Q373-T377 PolarHBondContact O-N 2.84Å |
| 374 | R | 90.6 | Very high | 89.5 | Confident | 66 Ų | 66 | 69 Ų | 69 | 25% | 0.249 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.3 | -15.4 | 172.5 | -60.4 | -177.9 | 179.6 | 166.4 | -1 | 113.6 | L371 H372 T377 G378 E379 R392 | L371-R374 WeakPolarHBondContact O-CB 3.34Å; L371-R374 PolarHBondContact O-N 3.3Å; H372-R374 PolarHBondContact O-N 2.91Å; R374-T377 WeakPolarHBondContact CA-OG1 3.46Å; R374-G378 PolarHBondContact O-N 3.28Å; R374-G378 VanDerWaalsContact O-N 3.13Å; R374-E379 HydrophobicContact CG-CB 4.44Å; R374-R392 PolarHBondContact NH1-O 3.42Å; R374-R392 PolarHBondContact O-NE 2.96Å; R374-R392 PolarHBondContact O-NH2 2.96Å |
| 375 | I | 89.6 | Confident | 89.8 | Confident | 80 Ų | 80 | 72 Ų | 72 | 41% | 0.41 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 172.9 | -57.3 | -178.7 | 0 | 0 | 0 | 110.7 | H372 Q373 R392 | H372-I375 WeakPolarHBondContact O-CA 3.31Å; H372-I375 WeakPolarHBondContact O-CB 3.09Å; H372-I375 VanDerWaalsContact O-CG1 3.22Å; H372-I375 WeakPolarHBondContact O-CG1 3.29Å; H372-I375 PolarHBondContact O-N 3.46Å; Q373-I375 PolarHBondContact O-N 3.23Å; I375-R392 VanDerWaalsContact CA-CZ 3.42Å; I375-R392 PolarHBondContact O-NH2 2.94Å; I375-R392 VanDerWaalsContact O-NH2 3.08Å |
| 376 | H | 88.3 | Confident | 89.9 | Confident | 72 Ų | 72 | 73.4 Ų | 73.4 | 33% | 0.333 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -75.5 | -45.1 | -179.5 | -61.7 | -66.6 | 0 | 0 | 0 | 112.4 | E358 C359 H372 Q373 G378 | E358-H376 WeakPolarHBondContact OE2-CB 3.4Å; E358-H376 IonicContact OE2-CD2 2.79Å; E358-H376 IonicContact OE2-CG 3.51Å; E358-H376 IonicContact OE2-ND1 3.32Å; E358-H376 PolarHBondContact OE2-ND1 3.18Å; C359-H376 PolarHBondContact SG-NE2 3.43Å; C359-H376 VanDerWaalsContact SG-NE2 3.44Å; H372-H376 AromaticContact NE2-NE2 3.43Å; H372-H376 PolarHBondContact NE2-NE2 3.01Å; Q373-H376 WeakPolarHBondContact O-CB 3.37Å; Q373-H376 PolarHBondContact O-N 2.86Å; H376-G378 PolarHBondContact O-N 3.44Å |
| 377 | T | 88.3 | Confident | 90.1 | Very high | 79 Ų | 79 | 71.1 Ų | 71.1 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.8 | -15.8 | 179.7 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | Q373 R374 E379 | Q373-T377 PolarHBondContact O-N 2.84Å; R374-T377 WeakPolarHBondContact CA-OG1 3.46Å; T377-E379 PolarHBondContact O-N 3.27Å; T377-E379 WeakPolarHBondContact OG1-CB 3.33Å; T377-E379 WeakPolarHBondContact OG1-CG 3.26Å; T377-E379 PolarHBondContact OG1-N 2.95Å |
| 378 | G | 88.6 | Confident | 90.2 | Very high | 38 Ų | 38 | 69 Ų | 69 | 39% | 0.392 | 38% | 0.379 | S | S | . | . | trans | 74.3 | -3.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | R374 H376 K380 | R374-G378 PolarHBondContact O-N 3.28Å; R374-G378 VanDerWaalsContact O-N 3.13Å; H376-G378 PolarHBondContact O-N 3.44Å; G378-K380 PolarHBondContact O-N 3.44Å | ||
| 379 | E | 89.5 | Confident | 90.3 | Very high | 110 Ų | 110 | 72.7 Ų | 72.7 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | trans | -56.6 | 128.6 | -176.3 | -76.4 | 179.1 | -175.5 | 0 | 0 | 112.4 | R374 T377 R392 | R374-E379 HydrophobicContact CG-CB 4.44Å; T377-E379 PolarHBondContact O-N 3.27Å; T377-E379 WeakPolarHBondContact OG1-CB 3.33Å; T377-E379 WeakPolarHBondContact OG1-CG 3.26Å; T377-E379 PolarHBondContact OG1-N 2.95Å; E379-R392 WeakPolarHBondContact O-CG 3.47Å | ||
| 380 | K | 91.3 | Very high | 90.4 | Very high | 114 Ų | 114 | 73.8 Ų | 73.8 | 50% | 0.496 | 40% | 0.4 | S | S | . | . | trans | -128.7 | 78.5 | 176.3 | -70.8 | 168 | 176.3 | -174.2 | 0 | 109.8 | G378 Y382 S390 F391 R392 | G378-K380 PolarHBondContact O-N 3.44Å; K380-Y382 PolarHBondContact O-N 3.36Å; K380-Y382 VanDerWaalsContact O-N 3.13Å; K380-S390 WeakPolarHBondContact CD-O 3.32Å; K380-F391 CarbonylContact C-O 3.21Å; K380-F391 VanDerWaalsContact C-O 3.23Å; K380-F391 VanDerWaalsContact CA-O 3.31Å; K380-F391 WeakPolarHBondContact CA-O 3.3Å; K380-R392 HydrophobicContact CG-CG 3.84Å | ||
| 381 | P | 90.5 | Very high | 90.5 | Very high | 73 Ų | 73 | 69.9 Ų | 69.9 | 47% | 0.474 | 38% | 0.383 | S | S | . | . | trans | -67.9 | -15.2 | -170.8 | -20.7 | 33.6 | 0 | 0 | 0 | 114.6 | ||||
| 382 | Y | 93.4 | Very high | 90.3 | Very high | 79 Ų | 79 | 71.2 Ų | 71.2 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 100.1 | -171.2 | -57.7 | -76.7 | 0 | 0 | 0 | 110.3 | K380 S390 F391 | K380-Y382 PolarHBondContact O-N 3.36Å; K380-Y382 VanDerWaalsContact O-N 3.13Å; Y382-S390 CarbonylContact O-C 3.56Å; Y382-S390 WeakPolarHBondContact O-CA 3.33Å; Y382-F391 PolarHBondContact N-O 3.2Å; Y382-F391 VanDerWaalsContact N-O 3.11Å; Y382-F391 WeakPolarHBondContact O-CD2 3.45Å; Y382-F391 PolarHBondContact O-N 3.08Å |
| 383 | Q | 93.8 | Very high | 90.3 | Very high | 123 Ų | 123 | 73.8 Ų | 73.8 | 58% | 0.575 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138.8 | 179.6 | -169.3 | 172.8 | 14.3 | 0 | 0 | 111.7 | G388 S390 | Q383-G388 WeakPolarHBondContact CG-O 3.35Å; Q383-G388 PolarHBondContact NE2-O 2.89Å; Q383-G388 VanDerWaalsContact NE2-O 3.1Å; Q383-S390 WeakPolarHBondContact CG-OG 3.39Å |
| 384 | C | 93.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 1% | 0.007 | 40% | 0.403 | C | S | . | . | trans | -78.1 | 119.8 | 169.6 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | Q386 C387 G388 K389 F391 L397 H404 | C384-Q386 PolarHBondContact O-N 3.04Å; C384-C387 VanDerWaalsContact SG-SG 3.69Å; C384-G388 WeakPolarHBondContact O-CA 3.23Å; C384-G388 PolarHBondContact O-N 3.24Å; C384-K389 WeakPolarHBondContact CB-O 3.47Å; C384-K389 PolarHBondContact N-O 3.16Å; C384-F391 HydrophobicContact CB-CE2 4.37Å; C384-L397 HydrophobicContact CB-CD1 3.62Å; C384-H404 PolarHBondContact SG-NE2 3.21Å | ||
| 385 | G | 90.2 | Very high | 90.4 | Very high | 82 Ų | 82 | 73.1 Ų | 73.1 | 85% | 0.845 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 386 | Q | 89 | Confident | 90.5 | Very high | 114 Ų | 114 | 72.4 Ų | 72.4 | 53% | 0.533 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -38.3 | -178.1 | -70.7 | 172.5 | -6 | 0 | 0 | 113.2 | C384 H404 H405 | C384-Q386 PolarHBondContact O-N 3.04Å; Q386-H404 PolarHBondContact OE1-CD2 3.17Å; Q386-H405 PolarHBondContact NE2-NE2 3.44Å |
| 387 | C | 91.8 | Very high | 90.6 | Very high | 53 Ų | 53 | 70.1 Ų | 70.1 | 36% | 0.358 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 3.8 | -174.2 | 72.7 | 0 | 0 | 0 | 0 | 114.3 | C384 K389 H400 | C384-C387 VanDerWaalsContact SG-SG 3.69Å; C387-K389 PolarHBondContact O-N 2.86Å; C387-K389 VanDerWaalsContact SG-CB 3.59Å; C387-K389 VanDerWaalsContact SG-CG 3.55Å; C387-H400 PolarHBondContact SG-NE2 3.22Å |
| 388 | G | 88.9 | Confident | 90.7 | Very high | 36 Ų | 36 | 72.3 Ų | 72.3 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | trans | 69.7 | -2.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q383 C384 S390 | Q383-G388 WeakPolarHBondContact CG-O 3.35Å; Q383-G388 PolarHBondContact NE2-O 2.89Å; Q383-G388 VanDerWaalsContact NE2-O 3.1Å; C384-G388 WeakPolarHBondContact O-CA 3.23Å; C384-G388 PolarHBondContact O-N 3.24Å; G388-S390 PolarHBondContact O-N 3.4Å | ||
| 389 | K | 91.3 | Very high | 90.8 | Very high | 127 Ų | 127 | 75.4 Ų | 75.4 | 55% | 0.552 | 41% | 0.407 | S | S | * | . | trans | -65.5 | 131.6 | -179.5 | -70.5 | -180 | -177.5 | 178.2 | 0 | 111 | C384 C387 F391 | C384-K389 WeakPolarHBondContact CB-O 3.47Å; C384-K389 PolarHBondContact N-O 3.16Å; C387-K389 PolarHBondContact O-N 2.86Å; C387-K389 VanDerWaalsContact SG-CB 3.59Å; C387-K389 VanDerWaalsContact SG-CG 3.55Å; K389-F391 HydrophobicContact CB-CE2 3.94Å; K389-F391 HydrophobicContact CB-CZ 4.01Å; K389-F391 WeakPolarHBondContact O-CE2 3.46Å | ||
| 390 | S | 92.3 | Very high | 90.8 | Very high | 43 Ų | 43 | 71 Ų | 71 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 142.3 | -177.6 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | K380 Y382 Q383 G388 | K380-S390 WeakPolarHBondContact CD-O 3.32Å; Y382-S390 CarbonylContact O-C 3.56Å; Y382-S390 WeakPolarHBondContact O-CA 3.33Å; Q383-S390 WeakPolarHBondContact CG-OG 3.39Å; G388-S390 PolarHBondContact O-N 3.4Å |
| 391 | F | 90.1 | Very high | 90.7 | Very high | 41 Ų | 41 | 68.7 Ų | 68.7 | 18% | 0.18 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.4 | -173.1 | -57.5 | -88.9 | 0 | 0 | 0 | 111.4 | K380 Y382 C384 K389 Q393 N396 L397 H400 | K380-F391 CarbonylContact C-O 3.21Å; K380-F391 VanDerWaalsContact C-O 3.23Å; K380-F391 VanDerWaalsContact CA-O 3.31Å; K380-F391 WeakPolarHBondContact CA-O 3.3Å; Y382-F391 PolarHBondContact N-O 3.2Å; Y382-F391 VanDerWaalsContact N-O 3.11Å; Y382-F391 WeakPolarHBondContact O-CD2 3.45Å; Y382-F391 PolarHBondContact O-N 3.08Å; C384-F391 HydrophobicContact CB-CE2 4.37Å; K389-F391 HydrophobicContact CB-CE2 3.94Å; K389-F391 HydrophobicContact CB-CZ 4.01Å; K389-F391 WeakPolarHBondContact O-CE2 3.46Å; F391-Q393 VanDerWaalsContact C-N 3.34Å; F391-N396 HydrophobicContact CB-CB 4.22Å; F391-N396 HydrophobicContact CD1-CB 3.91Å; F391-N396 HydrophobicContact CG-CB 4.3Å; F391-L397 HydrophobicContact CB-CB 4.49Å; F391-L397 HydrophobicContact CD2-CB 3.95Å; F391-L397 HydrophobicContact CD2-CD1 3.7Å; F391-L397 HydrophobicContact CD2-CG 4.46Å; F391-L397 HydrophobicContact CE2-CD1 3.81Å; F391-L397 HydrophobicContact CG-CB 4.39Å; F391-H400 HydrophobicContact CE1-CB 4.05Å; F391-H400 HydrophobicContact CE2-CB 3.96Å; F391-H400 AromaticContact CE2-CD2 3.5Å; F391-H400 VanDerWaalsContact CE2-CD2 3.5Å; F391-H400 WeakPolarHBondContact CE2-CD2 3.31Å; F391-H400 AromaticContact CE2-CG 3.76Å; F391-H400 HydrophobicContact CZ-CB 3.48Å; F391-H400 VanDerWaalsContact CZ-CB 3.48Å; F391-H400 AromaticContact CZ-CD2 3.48Å; F391-H400 VanDerWaalsContact CZ-CD2 3.48Å; F391-H400 WeakPolarHBondContact CZ-CD2 3.24Å; F391-H400 AromaticContact CZ-CG 3.29Å; F391-H400 AromaticContact CZ-ND1 3.85Å |
| 392 | R | 87.6 | Confident | 90.6 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 28% | 0.275 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -78.7 | -18.3 | 177 | -60.2 | -170.6 | 166.5 | 144.3 | -6.5 | 113.4 | R374 I375 E379 K380 | R374-R392 PolarHBondContact NH1-O 3.42Å; R374-R392 PolarHBondContact O-NE 2.96Å; R374-R392 PolarHBondContact O-NH2 2.96Å; I375-R392 VanDerWaalsContact CA-CZ 3.42Å; I375-R392 PolarHBondContact O-NH2 2.94Å; I375-R392 VanDerWaalsContact O-NH2 3.08Å; E379-R392 WeakPolarHBondContact O-CG 3.47Å; K380-R392 HydrophobicContact CG-CG 3.84Å |
| 393 | Q | 90.2 | Very high | 90.2 | Very high | 69 Ų | 69 | 74 Ų | 74 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -134.4 | 143.5 | -177.1 | -65.2 | -178.4 | 59.8 | 0 | 0 | 111.2 | L371 F391 S395 N396 L397 | L371-Q393 HydrophobicContact CD1-CG 3.29Å; L371-Q393 HydrophobicContact CD2-CG 3.85Å; L371-Q393 VanDerWaalsContact CD2-NE2 3.29Å; L371-Q393 HydrophobicContact CG-CG 4.17Å; F391-Q393 VanDerWaalsContact C-N 3.34Å; Q393-S395 VanDerWaalsContact C-N 3.32Å; Q393-S395 PolarHBondContact O-N 3.38Å; Q393-N396 HydrophobicContact CB-CB 4.45Å; Q393-N396 PolarHBondContact O-N 3.36Å; Q393-L397 PolarHBondContact O-N 3.03Å |
| 394 | S | 90.9 | Very high | 89.6 | Confident | 68 Ų | 68 | 71.6 Ų | 71.6 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -34.7 | 175.4 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | N396 L397 H398 | S394-N396 VanDerWaalsContact C-N 3.27Å; S394-N396 PolarHBondContact O-N 3.07Å; S394-L397 WeakPolarHBondContact O-CB 3.32Å; S394-L397 PolarHBondContact O-N 2.91Å; S394-H398 PolarHBondContact O-N 3.49Å |
| 395 | S | 90.5 | Very high | 88.6 | Confident | 61 Ų | 61 | 77.9 Ų | 77.9 | 43% | 0.427 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 175.6 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | Q393 H398 Q399 | Q393-S395 VanDerWaalsContact C-N 3.32Å; Q393-S395 PolarHBondContact O-N 3.38Å; S395-H398 PolarHBondContact O-N 2.87Å; S395-Q399 WeakPolarHBondContact O-CB 3.19Å; S395-Q399 PolarHBondContact O-N 2.94Å |
| 396 | N | 90.8 | Very high | 87 | Confident | 65 Ų | 65 | 77.3 Ų | 77.3 | 35% | 0.348 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.3 | -38.1 | 179.1 | -64.7 | 15.4 | 0 | 0 | 0 | 110.7 | F391 Q393 S394 Q399 H400 | F391-N396 HydrophobicContact CB-CB 4.22Å; F391-N396 HydrophobicContact CD1-CB 3.91Å; F391-N396 HydrophobicContact CG-CB 4.3Å; Q393-N396 HydrophobicContact CB-CB 4.45Å; Q393-N396 PolarHBondContact O-N 3.36Å; S394-N396 VanDerWaalsContact C-N 3.27Å; S394-N396 PolarHBondContact O-N 3.07Å; N396-Q399 PolarHBondContact O-N 2.89Å; N396-H400 WeakPolarHBondContact O-CB 3.41Å; N396-H400 PolarHBondContact O-N 3.48Å |
| 397 | L | 91.4 | Very high | 84.8 | Confident | 24 Ų | 24 | 81.7 Ų | 81.7 | 13% | 0.126 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 171.3 | 176.6 | 64.9 | 0 | 0 | 0 | 111.1 | C384 F391 Q393 S394 H400 H401 | C384-L397 HydrophobicContact CB-CD1 3.62Å; F391-L397 HydrophobicContact CB-CB 4.49Å; F391-L397 HydrophobicContact CD2-CB 3.95Å; F391-L397 HydrophobicContact CD2-CD1 3.7Å; F391-L397 HydrophobicContact CD2-CG 4.46Å; F391-L397 HydrophobicContact CE2-CD1 3.81Å; F391-L397 HydrophobicContact CG-CB 4.39Å; Q393-L397 PolarHBondContact O-N 3.03Å; S394-L397 WeakPolarHBondContact O-CB 3.32Å; S394-L397 PolarHBondContact O-N 2.91Å; L397-H400 CarbonylContact O-C 3.33Å; L397-H400 WeakPolarHBondContact O-CB 3.24Å; L397-H400 PolarHBondContact O-N 3.46Å; L397-H401 VanDerWaalsContact CD1-NE2 3.28Å; L397-H401 WeakPolarHBondContact CD1-NE2 3.47Å; L397-H401 PolarHBondContact O-CD2 3Å; L397-H401 PolarHBondContact O-N 2.97Å |
| 398 | H | 90.3 | Very high | 84.5 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | 178.5 | -176.4 | 73.1 | 0 | 0 | 0 | 112.3 | S394 S395 H400 H401 R402 | S394-H398 PolarHBondContact O-N 3.49Å; S395-H398 PolarHBondContact O-N 2.87Å; H398-H400 VanDerWaalsContact C-N 3.3Å; H398-H400 PolarHBondContact O-N 2.83Å; H398-H401 WeakPolarHBondContact O-CB 3.35Å; H398-H401 PolarHBondContact O-N 3.3Å; H398-R402 PolarHBondContact O-N 3.32Å |
| 399 | Q | 89.4 | Confident | 84.2 | Confident | 104 Ų | 104 | 85.6 Ų | 85.6 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 171.9 | 180 | 175.6 | 25.6 | 0 | 0 | 111.4 | S395 N396 H401 R402 | S395-Q399 WeakPolarHBondContact O-CB 3.19Å; S395-Q399 PolarHBondContact O-N 2.94Å; N396-Q399 PolarHBondContact O-N 2.89Å; Q399-H401 VanDerWaalsContact C-N 3.29Å; Q399-H401 PolarHBondContact O-N 3.41Å; Q399-R402 WeakPolarHBondContact O-CB 3.15Å; Q399-R402 PolarHBondContact O-N 3.19Å |
| 400 | H | 90.7 | Very high | 83.9 | Confident | 18 Ų | 18 | 83.3 Ų | 83.3 | 8% | 0.083 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -62.6 | -36.3 | 176.3 | 174.6 | 62.7 | 0 | 0 | 0 | 112.4 | C387 F391 N396 L397 H398 R402 L403 H404 | C387-H400 PolarHBondContact SG-NE2 3.22Å; F391-H400 HydrophobicContact CE1-CB 4.05Å; F391-H400 HydrophobicContact CE2-CB 3.96Å; F391-H400 AromaticContact CE2-CD2 3.5Å; F391-H400 VanDerWaalsContact CE2-CD2 3.5Å; F391-H400 WeakPolarHBondContact CE2-CD2 3.31Å; F391-H400 AromaticContact CE2-CG 3.76Å; F391-H400 HydrophobicContact CZ-CB 3.48Å; F391-H400 VanDerWaalsContact CZ-CB 3.48Å; F391-H400 AromaticContact CZ-CD2 3.48Å; F391-H400 VanDerWaalsContact CZ-CD2 3.48Å; F391-H400 WeakPolarHBondContact CZ-CD2 3.24Å; F391-H400 AromaticContact CZ-CG 3.29Å; F391-H400 AromaticContact CZ-ND1 3.85Å; N396-H400 WeakPolarHBondContact O-CB 3.41Å; N396-H400 PolarHBondContact O-N 3.48Å; L397-H400 CarbonylContact O-C 3.33Å; L397-H400 WeakPolarHBondContact O-CB 3.24Å; L397-H400 PolarHBondContact O-N 3.46Å; H398-H400 VanDerWaalsContact C-N 3.3Å; H398-H400 PolarHBondContact O-N 2.83Å; H400-R402 PolarHBondContact O-N 3.19Å; H400-L403 VanDerWaalsContact O-CB 3.29Å; H400-L403 WeakPolarHBondContact O-CB 3.47Å; H400-L403 PolarHBondContact O-N 3.48Å; H400-H404 AromaticContact CD2-NE2 3.64Å; H400-H404 AromaticContact CE1-CE1 3.85Å; H400-H404 AromaticContact CE1-NE2 3.48Å; H400-H404 PolarHBondContact CE1-NE2 3.21Å; H400-H404 AromaticContact NE2-CD2 3.87Å; H400-H404 AromaticContact NE2-CE1 3.68Å; H400-H404 AromaticContact NE2-NE2 2.95Å; H400-H404 PolarHBondContact NE2-NE2 3.06Å |
| 401 | H | 88.4 | Confident | 83.4 | Confident | 64 Ų | 64 | 85.6 Ų | 85.6 | 30% | 0.296 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -31.8 | 175.6 | -75.6 | -162.2 | 0 | 0 | 0 | 113 | L397 H398 Q399 L403 H404 H405 | L397-H401 VanDerWaalsContact CD1-NE2 3.28Å; L397-H401 WeakPolarHBondContact CD1-NE2 3.47Å; L397-H401 PolarHBondContact O-CD2 3Å; L397-H401 PolarHBondContact O-N 2.97Å; H398-H401 WeakPolarHBondContact O-CB 3.35Å; H398-H401 PolarHBondContact O-N 3.3Å; Q399-H401 VanDerWaalsContact C-N 3.29Å; Q399-H401 PolarHBondContact O-N 3.41Å; H401-L403 PolarHBondContact O-N 2.97Å; H401-H404 PolarHBondContact O-N 3.36Å; H401-H404 VanDerWaalsContact O-N 3.08Å; H401-H405 PolarHBondContact O-CD2 3.47Å; H401-H405 PolarHBondContact O-N 2.97Å |
| 402 | R | 89.6 | Confident | 82.9 | Confident | 129 Ų | 129 | 88.4 Ų | 88.4 | 49% | 0.487 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.4 | -29.7 | 174.3 | -66.9 | -173 | -76.6 | 176.3 | -5.2 | 112.6 | H398 Q399 H400 H404 H405 G406 | H398-R402 PolarHBondContact O-N 3.32Å; Q399-R402 WeakPolarHBondContact O-CB 3.15Å; Q399-R402 PolarHBondContact O-N 3.19Å; H400-R402 PolarHBondContact O-N 3.19Å; R402-H404 VanDerWaalsContact C-N 3.25Å; R402-H404 PolarHBondContact O-N 3.33Å; R402-H405 PolarHBondContact O-N 2.85Å; R402-G406 PolarHBondContact O-N 2.91Å |
| 403 | L | 84.1 | Confident | 82.6 | Confident | 136 Ų | 136 | 89.5 Ų | 89.5 | 71% | 0.712 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.7 | -23.5 | 176.1 | -56.3 | 175.4 | 0 | 0 | 0 | 113 | H400 H401 | H400-L403 VanDerWaalsContact O-CB 3.29Å; H400-L403 WeakPolarHBondContact O-CB 3.47Å; H400-L403 PolarHBondContact O-N 3.48Å; H401-L403 PolarHBondContact O-N 2.97Å |
| 404 | H | 82 | Confident | 82.1 | Confident | 72 Ų | 72 | 90.9 Ų | 90.9 | 33% | 0.333 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -82.7 | -30.8 | 175.2 | -65 | -56.1 | 0 | 0 | 0 | 112.5 | C384 Q386 H400 H401 R402 | C384-H404 PolarHBondContact SG-NE2 3.21Å; Q386-H404 PolarHBondContact OE1-CD2 3.17Å; H400-H404 AromaticContact CD2-NE2 3.64Å; H400-H404 AromaticContact CE1-CE1 3.85Å; H400-H404 AromaticContact CE1-NE2 3.48Å; H400-H404 PolarHBondContact CE1-NE2 3.21Å; H400-H404 AromaticContact NE2-CD2 3.87Å; H400-H404 AromaticContact NE2-CE1 3.68Å; H400-H404 AromaticContact NE2-NE2 2.95Å; H400-H404 PolarHBondContact NE2-NE2 3.06Å; H401-H404 PolarHBondContact O-N 3.36Å; H401-H404 VanDerWaalsContact O-N 3.08Å; R402-H404 VanDerWaalsContact C-N 3.25Å; R402-H404 PolarHBondContact O-N 3.33Å |
| 405 | H | 70.9 | Confident | 81.4 | Confident | 133 Ų | 133 | 92.7 Ų | 92.7 | 62% | 0.616 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -97.8 | -0.9 | -177.3 | -68.5 | -70.3 | 0 | 0 | 0 | 114.1 | Q386 H401 R402 | Q386-H405 PolarHBondContact NE2-NE2 3.44Å; H401-H405 PolarHBondContact O-CD2 3.47Å; H401-H405 PolarHBondContact O-N 2.97Å; R402-H405 PolarHBondContact O-N 2.85Å |
| 406 | G | 57.4 | Low | 80.6 | Confident | 69 Ų | 69 | 95.3 Ų | 95.3 | 71% | 0.711 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 47.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R402 | R402-G406 PolarHBondContact O-N 2.91Š|
| 407 | D | 42.7 | Very low | 79.7 | Confident | 206 Ų | 206 | 98.1 Ų | 98.1 | 100% | 1.102 | 50% | 0.502 | S | S | * | . | trans | -99.6 | 0 | 168.4 | -103.4 | -27.3 | 0 | 0 | 0 | 112 |
Retrieved 407 of 407 residues in 64.3 ms
(Link to these results)