| 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 | 51.4 | Low | 54.3 | Low | 250 Ų | 250 | 155 Ų | 155 | 100% | 1.232 | 88% | 0.876 | S | S | * | * | 0 | 109.7 | 0 | -80.7 | -162.3 | 166.4 | 0 | 0 | 108.9 | |||||
| 2 | A | 46.2 | Very low | 54.2 | Low | 105 Ų | 105 | 152.3 Ų | 152.3 | 87% | 0.868 | 87% | 0.87 | S | S | * | * | trans | 177.5 | 125.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 3 | A | 48.3 | Very low | 54.8 | Low | 96 Ų | 96 | 147.1 Ų | 147.1 | 79% | 0.793 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 155.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 4 | P | 56.3 | Low | 54.7 | Low | 129 Ų | 129 | 145.6 Ų | 145.6 | 84% | 0.838 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 135.9 | 158.1 | 2.4 | 17.3 | 0 | 0 | 0 | 110.9 | ||
| 5 | L | 56.4 | Low | 54.7 | Low | 174 Ų | 174 | 152.1 Ų | 152.1 | 91% | 0.911 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.1 | -175.6 | -69.3 | 149.2 | 0 | 0 | 0 | 112.6 | ||
| 6 | R | 57.8 | Low | 54.8 | Low | 239 Ų | 239 | 157.3 Ų | 157.3 | 90% | 0.902 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 137.1 | 167 | -126.1 | 179.1 | 178.3 | -173.7 | -1.1 | 109 | ||
| 7 | P | 61.1 | Low | 54.6 | Low | 119 Ų | 119 | 155.3 Ų | 155.3 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 142.1 | 173 | -12.3 | 26.5 | 0 | 0 | 0 | 110.3 | ||
| 8 | A | 61.5 | Low | 54.7 | Low | 90 Ų | 90 | 151.5 Ų | 151.5 | 74% | 0.744 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -61 | 140.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 9 | P | 51.8 | Low | 54.4 | Low | 126 Ų | 126 | 150.2 Ų | 150.2 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -70 | 133 | 172.6 | 27.7 | -30.2 | 0 | 0 | 0 | 110.3 | ||
| 10 | Q | 55.8 | Low | 54.3 | Low | 190 Ų | 190 | 147.4 Ų | 147.4 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136.3 | 173 | -68.6 | 179.3 | -15.1 | 0 | 0 | 110.3 | ||
| 11 | Q | 51.3 | Low | 54.4 | Low | 187 Ų | 187 | 144.2 Ų | 144.2 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 139 | 176 | -69.6 | -168.3 | -26 | 0 | 0 | 110.9 | ||
| 12 | P | 52.7 | Low | 54.4 | Low | 123 Ų | 123 | 138.2 Ų | 138.2 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 132.5 | 176.1 | 28 | -30.2 | 0 | 0 | 0 | 110.3 | ||
| 13 | A | 62.3 | Low | 54.9 | Low | 84 Ų | 84 | 142 Ų | 142 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 148.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R15 | A13-R15 PolarHBondContact O-N 3.46Å; A13-R15 VanDerWaalsContact O-N 3.16Å |
| 14 | P | 53 | Low | 55.1 | Low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 121.5 | -178.4 | 25.3 | -31.9 | 0 | 0 | 0 | 110.1 | R16 | P14-R16 PolarHBondContact O-N 3.32Š|
| 15 | R | 54.1 | Low | 55.3 | Low | 243 Ų | 243 | 144.6 Ų | 144.6 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 124.8 | 172.3 | -68.5 | -174.1 | 178.9 | -144.5 | 0.3 | 108.5 | A13 | A13-R15 PolarHBondContact O-N 3.46Å; A13-R15 VanDerWaalsContact O-N 3.16Å |
| 16 | R | 57.1 | Low | 55.8 | Low | 235 Ų | 235 | 141.1 Ų | 141.1 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 134.2 | 165.4 | -80.2 | -178.1 | 174.5 | -179.7 | -1.9 | 108.7 | P14 A18 | P14-R16 PolarHBondContact O-N 3.32Å; R16-A18 PolarHBondContact O-N 3.16Å |
| 17 | P | 50.7 | Low | 56.8 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 136 | 172.6 | 23.3 | -26.3 | 0 | 0 | 0 | 109.3 | ||
| 18 | A | 56.3 | Low | 57.9 | Low | 87 Ų | 87 | 132.4 Ų | 132.4 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R16 A20 | R16-A18 PolarHBondContact O-N 3.16Å; A18-A20 PolarHBondContact O-N 3.16Å; A18-A20 VanDerWaalsContact O-N 3.16Å |
| 19 | P | 48.9 | Very low | 59 | Low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 124.7 | 176.2 | 24.5 | -30.8 | 0 | 0 | 0 | 108.6 | A21 | P19-A21 PolarHBondContact O-N 3.3Š|
| 20 | A | 52.8 | Low | 60.5 | Low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 128.6 | 174 | 0 | 0 | 0 | 0 | 0 | 108.8 | A18 | A18-A20 PolarHBondContact O-N 3.16Å; A18-A20 VanDerWaalsContact O-N 3.16Å |
| 21 | A | 56.6 | Low | 61.7 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 134.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | P19 L23 | P19-A21 PolarHBondContact O-N 3.3Å; A21-L23 PolarHBondContact O-N 2.63Å |
| 22 | P | 52.4 | Low | 63.3 | Low | 123 Ų | 123 | 123.5 Ų | 123.5 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | trans | -67.4 | 100.7 | -178.7 | 21.9 | -23.7 | 0 | 0 | 0 | 108.8 | G24 | P22-G24 PolarHBondContact O-N 2.98Š| ||
| 23 | L | 55.5 | Low | 64.7 | Low | 185 Ų | 185 | 124.1 Ų | 124.1 | 97% | 0.969 | 70% | 0.697 | S | S | * | * | trans | -70.2 | 81.5 | 160.7 | -80.6 | 167.1 | 0 | 0 | 0 | 107.3 | A21 | A21-L23 PolarHBondContact O-N 2.63Š| ||
| 24 | G | 52.2 | Low | 65.5 | Low | 43 Ų | 43 | 124.7 Ų | 124.7 | 44% | 0.443 | 69% | 0.688 | S | S | . | * | trans | 174.2 | 99.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | P22 D26 | P22-G24 PolarHBondContact O-N 2.98Å; G24-D26 PolarHBondContact O-N 2.95Å | ||
| 25 | R | 60.6 | Low | 66.9 | Low | 237 Ų | 237 | 124.9 Ų | 124.9 | 89% | 0.894 | 68% | 0.679 | S | S | * | * | trans | -58.9 | 108.1 | 141.1 | -82.9 | -177.6 | 171.3 | -173.6 | -3.7 | 104.1 | T27 | R25-T27 PolarHBondContact O-N 2.83Š| ||
| 26 | D | 67.4 | Low | 68.2 | Low | 100 Ų | 100 | 115.7 Ų | 115.7 | 54% | 0.535 | 66% | 0.655 | S | S | . | * | trans | -54.1 | 129.4 | -169.6 | -106 | -44.1 | 0 | 0 | 0 | 108.4 | G24 S28 D29 V30 | G24-D26 PolarHBondContact O-N 2.95Å; D26-S28 PolarHBondContact O-N 3.12Å; D26-D29 WeakPolarHBondContact O-CB 3.36Å; D26-D29 PolarHBondContact O-N 3.03Å; D26-V30 PolarHBondContact O-N 3.39Å | ||
| 27 | T | 79.3 | Confident | 69.1 | Low | 109 Ų | 109 | 109.2 Ų | 109.2 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -52.4 | -27.5 | 172.6 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | R25 V30 L31 | R25-T27 PolarHBondContact O-N 2.83Å; T27-V30 PolarHBondContact O-N 2.93Å; T27-L31 WeakPolarHBondContact O-CB 3.19Å; T27-L31 WeakPolarHBondContact O-CG 3.22Å; T27-L31 PolarHBondContact O-N 3.12Å |
| 28 | S | 83.6 | Confident | 70.2 | Confident | 67 Ų | 67 | 108.9 Ų | 108.9 | 47% | 0.469 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59.9 | -44.9 | 170.4 | -161 | 0 | 0 | 0 | 0 | 113.6 | D26 V30 L31 Q32 | D26-S28 PolarHBondContact O-N 3.12Å; S28-V30 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 3.49Å; S28-L31 PolarHBondContact O-N 3.46Å; S28-Q32 VanDerWaalsContact O-CB 3.24Å; S28-Q32 WeakPolarHBondContact O-CB 3.49Å; S28-Q32 PolarHBondContact O-N 3.28Å |
| 29 | D | 84.3 | Confident | 71.3 | Confident | 102 Ų | 102 | 111.6 Ų | 111.6 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.3 | -39.9 | 177.9 | -74 | -26.2 | 0 | 0 | 0 | 111.3 | D26 Q32 Q33 | D26-D29 WeakPolarHBondContact O-CB 3.36Å; D26-D29 PolarHBondContact O-N 3.03Å; D29-Q32 PolarHBondContact O-N 3.45Å; D29-Q33 VanDerWaalsContact O-CB 3.25Å; D29-Q33 WeakPolarHBondContact O-CB 3.31Å; D29-Q33 PolarHBondContact O-N 3.48Å |
| 30 | V | 83.1 | Confident | 72.9 | Confident | 70 Ų | 70 | 108 Ų | 108 | 42% | 0.424 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.4 | -44 | 177 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | D26 T27 S28 Q33 I34 | D26-V30 PolarHBondContact O-N 3.39Å; T27-V30 PolarHBondContact O-N 2.93Å; S28-V30 VanDerWaalsContact C-N 3.33Å; S28-V30 PolarHBondContact O-N 3.49Å; V30-Q33 PolarHBondContact O-N 2.96Å; V30-I34 HydrophobicContact CG1-CD1 3.93Å; V30-I34 VanDerWaalsContact O-CG1 3.23Å; V30-I34 WeakPolarHBondContact O-CG1 3.24Å; V30-I34 PolarHBondContact O-N 2.96Å |
| 31 | L | 81.3 | Confident | 74.4 | Confident | 103 Ų | 103 | 106 Ų | 106 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -42.2 | 176.1 | -75.3 | 170 | 0 | 0 | 0 | 111.6 | T27 S28 Q33 I34 M35 | T27-L31 WeakPolarHBondContact O-CB 3.19Å; T27-L31 WeakPolarHBondContact O-CG 3.22Å; T27-L31 PolarHBondContact O-N 3.12Å; S28-L31 PolarHBondContact O-N 3.46Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.26Å; L31-I34 PolarHBondContact O-N 3.47Å; L31-M35 VanDerWaalsContact O-CG 3.32Å; L31-M35 WeakPolarHBondContact O-CG 3.41Å; L31-M35 PolarHBondContact O-N 3.22Å |
| 32 | Q | 84.9 | Confident | 75.7 | Confident | 131 Ų | 131 | 108.2 Ų | 108.2 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.5 | -37.4 | 177.2 | -168.7 | 142.4 | 15.5 | 0 | 0 | 111.6 | S28 D29 M35 A36 | S28-Q32 VanDerWaalsContact O-CB 3.24Å; S28-Q32 WeakPolarHBondContact O-CB 3.49Å; S28-Q32 PolarHBondContact O-N 3.28Å; D29-Q32 PolarHBondContact O-N 3.45Å; Q32-M35 PolarHBondContact O-N 3.26Å; Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 3.39Å |
| 33 | Q | 81.8 | Confident | 77.3 | Confident | 136 Ų | 136 | 108 Ų | 108 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.1 | -37.1 | 172.9 | -165.3 | 169.1 | 34.2 | 0 | 0 | 112.1 | D29 V30 L31 A36 I37 | D29-Q33 VanDerWaalsContact O-CB 3.25Å; D29-Q33 WeakPolarHBondContact O-CB 3.31Å; D29-Q33 PolarHBondContact O-N 3.48Å; V30-Q33 PolarHBondContact O-N 2.96Å; L31-Q33 VanDerWaalsContact C-N 3.31Å; L31-Q33 PolarHBondContact O-N 3.26Å; Q33-A36 PolarHBondContact O-N 2.96Å; Q33-I37 VanDerWaalsContact O-CG1 3.3Å; Q33-I37 WeakPolarHBondContact O-CG1 3.49Å; Q33-I37 PolarHBondContact O-N 3.21Å |
| 34 | I | 80.2 | Confident | 78.8 | Confident | 96 Ų | 96 | 103.9 Ų | 103.9 | 49% | 0.492 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.3 | -43.6 | 174.6 | -69.8 | 164.5 | 0 | 0 | 0 | 111.1 | V30 L31 A36 I37 | V30-I34 HydrophobicContact CG1-CD1 3.93Å; V30-I34 VanDerWaalsContact O-CG1 3.23Å; V30-I34 WeakPolarHBondContact O-CG1 3.24Å; V30-I34 PolarHBondContact O-N 2.96Å; L31-I34 PolarHBondContact O-N 3.47Å; I34-A36 VanDerWaalsContact C-N 3.29Å; I34-A36 PolarHBondContact O-N 3.5Å; I34-I37 WeakPolarHBondContact O-CB 3.39Å; I34-I37 PolarHBondContact O-N 2.87Å |
| 35 | M | 82.3 | Confident | 80.1 | Confident | 130 Ų | 130 | 103.9 Ų | 103.9 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.6 | -34.8 | 175.9 | -70.7 | 176.4 | 62.6 | 0 | 0 | 112.1 | L31 Q32 I37 T38 | L31-M35 VanDerWaalsContact O-CG 3.32Å; L31-M35 WeakPolarHBondContact O-CG 3.41Å; L31-M35 PolarHBondContact O-N 3.22Å; Q32-M35 PolarHBondContact O-N 3.26Å; M35-I37 PolarHBondContact O-N 3.43Å; M35-T38 PolarHBondContact O-N 3.3Å; M35-T38 PolarHBondContact O-OG1 3.25Å |
| 36 | A | 80.1 | Confident | 81.2 | Confident | 50 Ų | 50 | 97.5 Ų | 97.5 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.6 | -13.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q32 Q33 I34 Q40 | Q32-A36 WeakPolarHBondContact O-CB 3.41Å; Q32-A36 PolarHBondContact O-N 3.39Å; Q33-A36 PolarHBondContact O-N 2.96Å; I34-A36 VanDerWaalsContact C-N 3.29Å; I34-A36 PolarHBondContact O-N 3.5Å; A36-Q40 PolarHBondContact O-NE2 3Å |
| 37 | I | 77.8 | Confident | 82 | Confident | 99 Ų | 99 | 95.6 Ų | 95.6 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -78.2 | -29.9 | 172.4 | -67.2 | 164 | 0 | 0 | 0 | 110.5 | Q33 I34 M35 D39 Q40 | Q33-I37 VanDerWaalsContact O-CG1 3.3Å; Q33-I37 WeakPolarHBondContact O-CG1 3.49Å; Q33-I37 PolarHBondContact O-N 3.21Å; I34-I37 WeakPolarHBondContact O-CB 3.39Å; I34-I37 PolarHBondContact O-N 2.87Å; M35-I37 PolarHBondContact O-N 3.43Å; I37-D39 VanDerWaalsContact C-N 3.25Å; I37-D39 PolarHBondContact O-N 2.92Å; I37-Q40 WeakPolarHBondContact O-CB 3.43Å; I37-Q40 PolarHBondContact O-N 3.38Å |
| 38 | T | 74 | Confident | 82.1 | Confident | 117 Ų | 117 | 96.6 Ų | 96.6 | 72% | 0.718 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.5 | -24.9 | 176.1 | 19.3 | 0 | 0 | 0 | 0 | 113.6 | M35 | M35-T38 PolarHBondContact O-N 3.3Å; M35-T38 PolarHBondContact O-OG1 3.25Å |
| 39 | D | 77.9 | Confident | 82.1 | Confident | 143 Ų | 143 | 99.3 Ų | 99.3 | 77% | 0.765 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1 | 177.5 | -59.7 | -37.1 | 0 | 0 | 0 | 113.3 | I37 | I37-D39 VanDerWaalsContact C-N 3.25Å; I37-D39 PolarHBondContact O-N 2.92Å |
| 40 | Q | 82.2 | Confident | 82.1 | Confident | 52 Ų | 52 | 100.4 Ų | 100.4 | 24% | 0.243 | 53% | 0.527 | C | S | . | . | trans | -78.3 | 132.6 | -179 | -113.9 | 154.5 | 75.5 | 0 | 0 | 111.5 | A36 I37 E44 | A36-Q40 PolarHBondContact O-NE2 3Å; I37-Q40 WeakPolarHBondContact O-CB 3.43Å; I37-Q40 PolarHBondContact O-N 3.38Å; Q40-E44 HydrophobicContact CG-CB 4.46Å | ||
| 41 | S | 85.3 | Confident | 82.3 | Confident | 52 Ų | 52 | 100.1 Ų | 100.1 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | trans | -65.9 | 149.2 | 171 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | D43 E44 A45 | S41-D43 PolarHBondContact O-N 3.24Å; S41-E44 PolarHBondContact O-N 3.48Å; S41-E44 WeakPolarHBondContact OG-CB 3.48Å; S41-E44 VanDerWaalsContact OG-CG 3.25Å; S41-E44 WeakPolarHBondContact OG-CG 3.21Å; S41-E44 PolarHBondContact OG-N 3.22Å; S41-A45 PolarHBondContact O-N 3.04Å; S41-A45 VanDerWaalsContact O-N 3.1Å | ||
| 42 | L | 84.3 | Confident | 82.3 | Confident | 128 Ų | 128 | 101.1 Ų | 101.1 | 67% | 0.67 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.8 | -36.6 | 176.5 | -177.8 | 62.8 | 0 | 0 | 0 | 111.3 | A45 Q46 | L42-A45 PolarHBondContact O-N 2.97Å; L42-Q46 WeakPolarHBondContact O-CB 3.22Å; L42-Q46 VanDerWaalsContact O-CG 3.22Å; L42-Q46 WeakPolarHBondContact O-CG 3.39Å; L42-Q46 PolarHBondContact O-N 3.27Å |
| 43 | D | 85.7 | Confident | 82.2 | Confident | 119 Ų | 119 | 98.1 Ų | 98.1 | 64% | 0.636 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.1 | -41.7 | 178.9 | -70.7 | -23.3 | 0 | 0 | 0 | 112.4 | S41 Q46 A47 | S41-D43 PolarHBondContact O-N 3.24Å; D43-Q46 PolarHBondContact O-N 3.37Å; D43-A47 WeakPolarHBondContact O-CB 3.12Å; D43-A47 PolarHBondContact O-N 3.24Å |
| 44 | E | 85.8 | Confident | 82.4 | Confident | 98 Ų | 98 | 95.7 Ų | 95.7 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175 | -79.4 | 173.9 | -150.3 | 0 | 0 | 112.2 | Q40 S41 Q46 A47 R48 | Q40-E44 HydrophobicContact CG-CB 4.46Å; S41-E44 PolarHBondContact O-N 3.48Å; S41-E44 WeakPolarHBondContact OG-CB 3.48Å; S41-E44 VanDerWaalsContact OG-CG 3.25Å; S41-E44 WeakPolarHBondContact OG-CG 3.21Å; S41-E44 PolarHBondContact OG-N 3.22Å; E44-Q46 VanDerWaalsContact C-N 3.35Å; E44-A47 PolarHBondContact O-N 3.4Å; E44-R48 WeakPolarHBondContact O-CG 3.35Å; E44-R48 PolarHBondContact O-N 2.95Å |
| 45 | A | 80.9 | Confident | 82.8 | Confident | 42 Ų | 42 | 96.1 Ų | 96.1 | 35% | 0.347 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | S41 L42 R48 K49 | S41-A45 PolarHBondContact O-N 3.04Å; S41-A45 VanDerWaalsContact O-N 3.1Å; L42-A45 PolarHBondContact O-N 2.97Å; A45-R48 PolarHBondContact O-N 3.49Å; A45-K49 WeakPolarHBondContact O-CB 3.3Å; A45-K49 PolarHBondContact O-N 3.32Å |
| 46 | Q | 82.7 | Confident | 83.2 | Confident | 103 Ų | 103 | 101.8 Ų | 101.8 | 48% | 0.481 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.3 | -74.4 | -179.8 | 15.8 | 0 | 0 | 112.3 | L42 D43 E44 K49 H50 | L42-Q46 WeakPolarHBondContact O-CB 3.22Å; L42-Q46 VanDerWaalsContact O-CG 3.22Å; L42-Q46 WeakPolarHBondContact O-CG 3.39Å; L42-Q46 PolarHBondContact O-N 3.27Å; D43-Q46 PolarHBondContact O-N 3.37Å; E44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-K49 WeakPolarHBondContact O-CB 3.24Å; Q46-K49 PolarHBondContact O-N 3.05Å; Q46-H50 WeakPolarHBondContact O-CB 3.25Å; Q46-H50 PolarHBondContact O-N 3.38Å |
| 47 | A | 84.6 | Confident | 83.6 | Confident | 61 Ų | 61 | 104.5 Ų | 104.5 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D43 E44 H50 A51 | D43-A47 WeakPolarHBondContact O-CB 3.12Å; D43-A47 PolarHBondContact O-N 3.24Å; E44-A47 PolarHBondContact O-N 3.4Å; A47-H50 WeakPolarHBondContact O-CB 3.45Å; A47-H50 PolarHBondContact O-N 3.49Å; A47-A51 PolarHBondContact O-N 2.89Å |
| 48 | R | 82.4 | Confident | 84 | Confident | 130 Ų | 130 | 102.3 Ų | 102.3 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 175.5 | -70.9 | 177.4 | -170.5 | 174.7 | 6.6 | 112.3 | E44 A45 H50 A51 L52 | E44-R48 WeakPolarHBondContact O-CG 3.35Å; E44-R48 PolarHBondContact O-N 2.95Å; A45-R48 PolarHBondContact O-N 3.49Å; R48-H50 VanDerWaalsContact C-N 3.29Å; R48-H50 PolarHBondContact O-N 2.99Å; R48-A51 PolarHBondContact O-N 2.88Å; R48-L52 PolarHBondContact O-N 3.33Å |
| 49 | K | 81.8 | Confident | 84.5 | Confident | 124 Ų | 124 | 101.3 Ų | 101.3 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 171.9 | 172.9 | -172.9 | 165.2 | -174.2 | 0 | 111.3 | A45 Q46 N53 | A45-K49 WeakPolarHBondContact O-CB 3.3Å; A45-K49 PolarHBondContact O-N 3.32Å; Q46-K49 WeakPolarHBondContact O-CB 3.24Å; Q46-K49 PolarHBondContact O-N 3.05Å; K49-N53 WeakPolarHBondContact O-CB 3.38Å; K49-N53 PolarHBondContact O-N 2.89Å; K49-N53 PolarHBondContact O-ND2 3.42Å |
| 50 | H | 84.9 | Confident | 84.9 | Confident | 125 Ų | 125 | 97.2 Ų | 97.2 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -45.8 | 178.4 | -171.2 | 55.3 | 0 | 0 | 0 | 111.8 | Q46 A47 R48 L52 N53 C54 | Q46-H50 WeakPolarHBondContact O-CB 3.25Å; Q46-H50 PolarHBondContact O-N 3.38Å; A47-H50 WeakPolarHBondContact O-CB 3.45Å; A47-H50 PolarHBondContact O-N 3.49Å; R48-H50 VanDerWaalsContact C-N 3.29Å; R48-H50 PolarHBondContact O-N 2.99Å; H50-L52 VanDerWaalsContact C-N 3.34Å; H50-L52 PolarHBondContact O-N 3.02Å; H50-N53 WeakPolarHBondContact O-CA 3.24Å; H50-N53 WeakPolarHBondContact O-CB 3.22Å; H50-N53 PolarHBondContact O-N 3.37Å; H50-C54 VanDerWaalsContact CE1-SG 3.53Å; H50-C54 PolarHBondContact O-N 2.92Å; H50-C54 PolarHBondContact O-SG 2.77Å; H50-C54 VanDerWaalsContact O-SG 3.4Å |
| 51 | A | 86.8 | Confident | 85.1 | Confident | 64 Ų | 64 | 99.1 Ų | 99.1 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A47 R48 N53 C54 H55 | A47-A51 PolarHBondContact O-N 2.89Å; R48-A51 PolarHBondContact O-N 2.88Å; A51-N53 VanDerWaalsContact C-N 3.34Å; A51-N53 PolarHBondContact O-N 2.93Å; A51-C54 PolarHBondContact O-N 3.44Å; A51-H55 PolarHBondContact O-N 3.35Å |
| 52 | L | 82.2 | Confident | 85.2 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -38.6 | 173.7 | -80.8 | 162.1 | 0 | 0 | 0 | 112.4 | R48 H50 C54 H55 | R48-L52 PolarHBondContact O-N 3.33Å; H50-L52 VanDerWaalsContact C-N 3.34Å; H50-L52 PolarHBondContact O-N 3.02Å; L52-C54 VanDerWaalsContact C-N 3.32Å; L52-C54 PolarHBondContact O-N 2.94Å; L52-H55 WeakPolarHBondContact O-CB 3.4Å; L52-H55 PolarHBondContact O-N 3.36Å |
| 53 | N | 82 | Confident | 85.3 | Confident | 67 Ų | 67 | 96.3 Ų | 96.3 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -31.5 | 177.3 | -82.1 | -19.5 | 0 | 0 | 0 | 113.3 | K49 H50 A51 K58 | K49-N53 WeakPolarHBondContact O-CB 3.38Å; K49-N53 PolarHBondContact O-N 2.89Å; K49-N53 PolarHBondContact O-ND2 3.42Å; H50-N53 WeakPolarHBondContact O-CA 3.24Å; H50-N53 WeakPolarHBondContact O-CB 3.22Å; H50-N53 PolarHBondContact O-N 3.37Å; A51-N53 VanDerWaalsContact C-N 3.34Å; A51-N53 PolarHBondContact O-N 2.93Å; N53-K58 PolarHBondContact OD1-NZ 3.3Å |
| 54 | C | 86 | Confident | 85.4 | Confident | 86 Ų | 86 | 94.3 Ų | 94.3 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -1.9 | 178.6 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | H50 A51 L52 R56 | H50-C54 VanDerWaalsContact CE1-SG 3.53Å; H50-C54 PolarHBondContact O-N 2.92Å; H50-C54 PolarHBondContact O-SG 2.77Å; H50-C54 VanDerWaalsContact O-SG 3.4Å; A51-C54 PolarHBondContact O-N 3.44Å; L52-C54 VanDerWaalsContact C-N 3.32Å; L52-C54 PolarHBondContact O-N 2.94Å; C54-R56 PolarHBondContact O-N 3.38Å |
| 55 | H | 88.3 | Confident | 85.5 | Confident | 105 Ų | 105 | 93.7 Ų | 93.7 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | trans | -67.5 | 129.9 | -176.5 | -168.2 | -91.2 | 0 | 0 | 0 | 112.3 | A51 L52 M57 K58 | A51-H55 PolarHBondContact O-N 3.35Å; L52-H55 WeakPolarHBondContact O-CB 3.4Å; L52-H55 PolarHBondContact O-N 3.36Å; H55-M57 PolarHBondContact ND1-N 3.44Å; H55-M57 PolarHBondContact O-N 3.26Å; H55-M57 VanDerWaalsContact O-N 3.12Å; H55-K58 WeakPolarHBondContact O-CB 3.48Å; H55-K58 PolarHBondContact O-N 3.1Å | ||
| 56 | R | 91.3 | Very high | 85.8 | Confident | 248 Ų | 248 | 92.8 Ų | 92.8 | 94% | 0.936 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -34.6 | -175.1 | -72.3 | -180 | 72.9 | 176.7 | 2.9 | 114 | C54 K58 | C54-R56 PolarHBondContact O-N 3.38Å; R56-K58 VanDerWaalsContact C-N 3.34Å |
| 57 | M | 88.7 | Confident | 85.9 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 53% | 0.532 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.9 | -179.8 | -61.9 | -170.9 | 69.6 | 0 | 0 | 114.3 | H55 S59 A60 L61 | H55-M57 PolarHBondContact ND1-N 3.44Å; H55-M57 PolarHBondContact O-N 3.26Å; H55-M57 VanDerWaalsContact O-N 3.12Å; M57-S59 VanDerWaalsContact C-N 3.29Å; M57-S59 PolarHBondContact O-N 3.48Å; M57-A60 PolarHBondContact O-N 2.87Å; M57-L61 HydrophobicContact CB-CD1 4.11Å; M57-L61 HydrophobicContact CB-CG 4.45Å; M57-L61 PolarHBondContact O-N 2.85Å |
| 58 | K | 85.4 | Confident | 86 | Confident | 53 Ų | 53 | 94.2 Ų | 94.2 | 23% | 0.23 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -53.6 | -47.8 | -175.7 | 173.2 | 172.7 | 173.4 | 168.5 | 0 | 111.5 | N53 H55 R56 L61 F62 R171 | N53-K58 PolarHBondContact OD1-NZ 3.3Å; H55-K58 WeakPolarHBondContact O-CB 3.48Å; H55-K58 PolarHBondContact O-N 3.1Å; R56-K58 VanDerWaalsContact C-N 3.34Å; K58-L61 PolarHBondContact O-N 2.83Å; K58-F62 HydrophobicContact CG-CD2 4.2Å; K58-F62 WeakPolarHBondContact O-CB 3.44Å; K58-F62 PolarHBondContact O-N 3.35Å; K58-R171 PolarHBondContact NZ-O 3.11Å |
| 59 | S | 84.6 | Confident | 86 | Confident | 96 Ų | 96 | 91.3 Ų | 91.3 | 67% | 0.671 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.5 | -47.2 | -178.6 | 176.4 | 0 | 0 | 0 | 0 | 112.3 | M57 F62 S63 | M57-S59 VanDerWaalsContact C-N 3.29Å; M57-S59 PolarHBondContact O-N 3.48Å; S59-F62 PolarHBondContact O-N 3.02Å; S59-S63 PolarHBondContact O-N 3.48Å |
| 60 | A | 87.1 | Confident | 85.8 | Confident | 57 Ų | 57 | 86.5 Ų | 86.5 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | M57 F62 S63 V64 | M57-A60 PolarHBondContact O-N 2.87Å; A60-F62 PolarHBondContact O-N 3.22Å; A60-S63 PolarHBondContact O-N 3.25Å; A60-V64 WeakPolarHBondContact O-CG2 3.4Å; A60-V64 PolarHBondContact O-N 3.45Å; A60-V64 VanDerWaalsContact O-N 3.12Å |
| 61 | L | 86.6 | Confident | 85.6 | Confident | 91 Ų | 91 | 86.7 Ų | 86.7 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.1 | -73.5 | 167.2 | 0 | 0 | 0 | 111.8 | M57 K58 S63 V64 L65 | M57-L61 HydrophobicContact CB-CD1 4.11Å; M57-L61 HydrophobicContact CB-CG 4.45Å; M57-L61 PolarHBondContact O-N 2.85Å; K58-L61 PolarHBondContact O-N 2.83Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.39Å; L61-V64 PolarHBondContact O-N 2.84Å; L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 VanDerWaalsContact O-CG 3.24Å; L61-L65 WeakPolarHBondContact O-CG 3.5Å; L61-L65 PolarHBondContact O-N 3.07Å |
| 62 | F | 87.2 | Confident | 85.1 | Confident | 46 Ų | 46 | 87.7 Ų | 87.7 | 20% | 0.202 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.3 | -113.2 | -104.6 | 0 | 0 | 0 | 112.2 | K58 S59 A60 L65 C66 S170 R173 P174 | K58-F62 HydrophobicContact CG-CD2 4.2Å; K58-F62 WeakPolarHBondContact O-CB 3.44Å; K58-F62 PolarHBondContact O-N 3.35Å; S59-F62 PolarHBondContact O-N 3.02Å; A60-F62 PolarHBondContact O-N 3.22Å; F62-L65 PolarHBondContact O-N 3.06Å; F62-C66 WeakPolarHBondContact O-CB 3.41Å; F62-C66 PolarHBondContact O-N 3.5Å; F62-C66 PolarHBondContact O-SG 3.18Å; F62-C66 VanDerWaalsContact O-SG 3.33Å; F62-S170 WeakPolarHBondContact CE1-O 3.44Å; F62-R173 VanDerWaalsContact CE1-O 3.22Å; F62-R173 WeakPolarHBondContact CE1-O 3.43Å; F62-P174 HydrophobicContact CD1-CB 4.47Å; F62-P174 HydrophobicContact CE1-CB 4.47Å; F62-P174 HydrophobicContact CE1-CG 4.38Å; F62-P174 HydrophobicContact CZ-CG 4.48Å |
| 63 | S | 85.9 | Confident | 84.3 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 53% | 0.531 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 179.4 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | S59 A60 L61 L65 C66 E67 | S59-S63 PolarHBondContact O-N 3.48Å; A60-S63 PolarHBondContact O-N 3.25Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.39Å; S63-L65 PolarHBondContact O-N 2.62Å; S63-C66 PolarHBondContact O-N 2.95Å; S63-E67 PolarHBondContact O-N 2.88Å |
| 64 | V | 89.3 | Confident | 83.2 | Confident | 76 Ų | 76 | 85.2 Ų | 85.2 | 46% | 0.461 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | A60 L61 C66 E67 I68 | A60-V64 WeakPolarHBondContact O-CG2 3.4Å; A60-V64 PolarHBondContact O-N 3.45Å; A60-V64 VanDerWaalsContact O-N 3.12Å; L61-V64 PolarHBondContact O-N 2.84Å; V64-C66 PolarHBondContact O-N 3.02Å; V64-E67 PolarHBondContact O-N 3.37Å; V64-I68 HydrophobicContact CG1-CD1 3.77Å; V64-I68 HydrophobicContact CG1-CG1 4.32Å; V64-I68 VanDerWaalsContact O-CG1 3.31Å; V64-I68 WeakPolarHBondContact O-CG1 3.42Å; V64-I68 PolarHBondContact O-N 3.17Å |
| 65 | L | 87.6 | Confident | 81.8 | Confident | 86 Ų | 86 | 85.5 Ų | 85.5 | 45% | 0.45 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 177.8 | -71.1 | 170.9 | 0 | 0 | 0 | 112.2 | L61 F62 S63 E67 K69 P174 | L61-L65 WeakPolarHBondContact O-CB 3.48Å; L61-L65 VanDerWaalsContact O-CG 3.24Å; L61-L65 WeakPolarHBondContact O-CG 3.5Å; L61-L65 PolarHBondContact O-N 3.07Å; F62-L65 PolarHBondContact O-N 3.06Å; S63-L65 PolarHBondContact O-N 2.62Å; L65-E67 VanDerWaalsContact C-N 3.32Å; L65-K69 VanDerWaalsContact O-CB 3.24Å; L65-K69 WeakPolarHBondContact O-CB 3.47Å; L65-K69 PolarHBondContact O-N 3.25Å; L65-P174 HydrophobicContact CB-CB 3.93Å; L65-P174 HydrophobicContact CB-CG 3.66Å; L65-P174 HydrophobicContact CD1-CG 3.81Å; L65-P174 HydrophobicContact CG-CG 4.37Å |
| 66 | C | 86.1 | Confident | 80.5 | Confident | 22 Ų | 22 | 87.1 Ų | 87.1 | 15% | 0.149 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 173.1 | -76.5 | 0 | 0 | 0 | 0 | 111.8 | F62 S63 V64 G70 | F62-C66 WeakPolarHBondContact O-CB 3.41Å; F62-C66 PolarHBondContact O-N 3.5Å; F62-C66 PolarHBondContact O-SG 3.18Å; F62-C66 VanDerWaalsContact O-SG 3.33Å; S63-C66 PolarHBondContact O-N 2.95Å; V64-C66 PolarHBondContact O-N 3.02Å; C66-G70 PolarHBondContact O-N 3.43Å |
| 67 | E | 85.7 | Confident | 78.9 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 47% | 0.472 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.2 | -46.7 | 177.8 | -169.9 | -176.5 | 168.4 | 0 | 0 | 112 | S63 V64 L65 K69 G70 K71 | S63-E67 PolarHBondContact O-N 2.88Å; V64-E67 PolarHBondContact O-N 3.37Å; L65-E67 VanDerWaalsContact C-N 3.32Å; E67-K69 VanDerWaalsContact C-N 3.34Å; E67-K69 PolarHBondContact O-N 3.01Å; E67-G70 PolarHBondContact O-N 3.49Å; E67-K71 HydrophobicContact CG-CD 4.37Å; E67-K71 WeakPolarHBondContact O-CG 3.35Å; E67-K71 PolarHBondContact O-N 3.05Å; E67-K71 WeakPolarHBondContact OE1-CE 3.31Å; E67-K71 IonicContact OE1-NZ 2.66Å; E67-K71 PolarHBondContact OE1-NZ 3.01Å |
| 68 | I | 86.1 | Confident | 76.9 | Confident | 94 Ų | 94 | 82.3 Ų | 82.3 | 48% | 0.482 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58 | -49.8 | 175 | -68.3 | 168.1 | 0 | 0 | 0 | 109.5 | V64 G70 K71 T72 | V64-I68 HydrophobicContact CG1-CD1 3.77Å; V64-I68 HydrophobicContact CG1-CG1 4.32Å; V64-I68 VanDerWaalsContact O-CG1 3.31Å; V64-I68 WeakPolarHBondContact O-CG1 3.42Å; V64-I68 PolarHBondContact O-N 3.17Å; I68-G70 VanDerWaalsContact C-N 3.31Å; I68-G70 PolarHBondContact O-N 2.87Å; I68-K71 PolarHBondContact O-N 3.33Å; I68-T72 PolarHBondContact O-N 3.37Å; I68-T72 PolarHBondContact O-OG1 2.91Å |
| 69 | K | 83 | Confident | 74.9 | Confident | 68 Ų | 68 | 88.9 Ų | 88.9 | 30% | 0.296 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.4 | -42.4 | 178.3 | -171 | -175 | 178.7 | -164.4 | 0 | 111.8 | L65 E67 T72 A73 P174 E179 | L65-K69 VanDerWaalsContact O-CB 3.24Å; L65-K69 WeakPolarHBondContact O-CB 3.47Å; L65-K69 PolarHBondContact O-N 3.25Å; E67-K69 VanDerWaalsContact C-N 3.34Å; E67-K69 PolarHBondContact O-N 3.01Å; K69-T72 PolarHBondContact O-N 2.66Å; K69-A73 VanDerWaalsContact O-CB 3.3Å; K69-A73 WeakPolarHBondContact O-CB 3.32Å; K69-A73 PolarHBondContact O-N 3.49Å; K69-P174 PolarHBondContact NZ-O 3.43Å; K69-E179 WeakPolarHBondContact CE-OE2 3.39Å; K69-E179 IonicContact NZ-OE1 2.98Å; K69-E179 PolarHBondContact NZ-OE1 3.19Å; K69-E179 IonicContact NZ-OE2 2.76Å; K69-E179 PolarHBondContact NZ-OE2 2.9Å |
| 70 | G | 77.4 | Confident | 73.1 | Confident | 23 Ų | 23 | 91.3 Ų | 91.3 | 24% | 0.237 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C66 E67 I68 A73 M74 | C66-G70 PolarHBondContact O-N 3.43Å; E67-G70 PolarHBondContact O-N 3.49Å; I68-G70 VanDerWaalsContact C-N 3.31Å; I68-G70 PolarHBondContact O-N 2.87Å; G70-A73 PolarHBondContact O-N 3.01Å; G70-M74 WeakPolarHBondContact O-CB 3.38Å; G70-M74 WeakPolarHBondContact O-CG 3.3Å; G70-M74 PolarHBondContact O-N 3.3Å |
| 71 | K | 80.4 | Confident | 71 | Confident | 130 Ų | 130 | 96.9 Ų | 96.9 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 177.3 | -71.7 | 174.3 | -176.8 | 170.4 | 0 | 111.9 | E67 I68 S75 | E67-K71 HydrophobicContact CG-CD 4.37Å; E67-K71 WeakPolarHBondContact O-CG 3.35Å; E67-K71 PolarHBondContact O-N 3.05Å; E67-K71 WeakPolarHBondContact OE1-CE 3.31Å; E67-K71 IonicContact OE1-NZ 2.66Å; E67-K71 PolarHBondContact OE1-NZ 3.01Å; I68-K71 PolarHBondContact O-N 3.33Å; K71-S75 WeakPolarHBondContact O-CB 3.38Å; K71-S75 PolarHBondContact O-N 2.93Å |
| 72 | T | 75.9 | Confident | 69 | Low | 85 Ų | 85 | 101.5 Ų | 101.5 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 177.3 | -51.4 | 0 | 0 | 0 | 0 | 112 | I68 K69 | I68-T72 PolarHBondContact O-N 3.37Å; I68-T72 PolarHBondContact O-OG1 2.91Å; K69-T72 PolarHBondContact O-N 2.66Å |
| 73 | A | 66.8 | Low | 67.1 | Low | 39 Ų | 39 | 106.3 Ų | 106.3 | 32% | 0.322 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.6 | -43.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K69 G70 S75 I76 Q77 | K69-A73 VanDerWaalsContact O-CB 3.3Å; K69-A73 WeakPolarHBondContact O-CB 3.32Å; K69-A73 PolarHBondContact O-N 3.49Å; G70-A73 PolarHBondContact O-N 3.01Å; A73-S75 VanDerWaalsContact C-N 3.29Å; A73-S75 PolarHBondContact O-N 2.89Å; A73-I76 PolarHBondContact O-N 3.48Å; A73-I76 VanDerWaalsContact O-N 3.1Å; A73-Q77 PolarHBondContact O-N 3.2Å; A73-Q77 PolarHBondContact O-OE1 2.97Å |
| 74 | M | 57.5 | Low | 65.8 | Low | 99 Ų | 99 | 106.9 Ų | 106.9 | 49% | 0.488 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.2 | -29.4 | 179.5 | -65.7 | -92.5 | 73.3 | 0 | 0 | 112.7 | G70 I76 Q77 | G70-M74 WeakPolarHBondContact O-CB 3.38Å; G70-M74 WeakPolarHBondContact O-CG 3.3Å; G70-M74 PolarHBondContact O-N 3.3Å; M74-I76 PolarHBondContact O-N 2.8Å; M74-Q77 PolarHBondContact O-N 3.46Å |
| 75 | S | 57.9 | Low | 64.4 | Low | 92 Ų | 92 | 109.2 Ų | 109.2 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -18.5 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 113.5 | K71 A73 | K71-S75 WeakPolarHBondContact O-CB 3.38Å; K71-S75 PolarHBondContact O-N 2.93Å; A73-S75 VanDerWaalsContact C-N 3.29Å; A73-S75 PolarHBondContact O-N 2.89Å |
| 76 | I | 59.7 | Low | 63.9 | Low | 139 Ų | 139 | 107.4 Ų | 107.4 | 71% | 0.713 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -22.2 | -179.4 | -61.1 | 169.2 | 0 | 0 | 0 | 111.2 | A73 M74 | A73-I76 PolarHBondContact O-N 3.48Å; A73-I76 VanDerWaalsContact O-N 3.1Å; M74-I76 PolarHBondContact O-N 2.8Å |
| 77 | Q | 57.9 | Low | 63.8 | Low | 89 Ų | 89 | 110 Ų | 110 | 42% | 0.416 | 58% | 0.583 | S | S | . | * | trans | -112.5 | 22.1 | -168.2 | -82.3 | 169.4 | -57.8 | 0 | 0 | 114.7 | A73 M74 H79 | A73-Q77 PolarHBondContact O-N 3.2Å; A73-Q77 PolarHBondContact O-OE1 2.97Å; M74-Q77 PolarHBondContact O-N 3.46Å; Q77-H79 PolarHBondContact O-N 3.42Å | ||
| 78 | Q | 46.9 | Very low | 63.8 | Low | 167 Ų | 167 | 109.9 Ų | 109.9 | 78% | 0.78 | 58% | 0.583 | S | S | * | * | trans | -65.4 | 15.2 | -175.9 | -147.6 | 176.6 | -22.6 | 0 | 0 | 115.7 | ||||
| 79 | H | 44.3 | Very low | 63.9 | Low | 190 Ų | 190 | 106.6 Ų | 106.6 | 88% | 0.88 | 57% | 0.566 | S | S | * | * | trans | -125.5 | 75.6 | 168.9 | -80.6 | 4.3 | 0 | 0 | 0 | 109.5 | Q77 | Q77-H79 PolarHBondContact O-N 3.42Š| ||
| 80 | Q | 46.2 | Very low | 64.1 | Low | 148 Ų | 148 | 108.6 Ų | 108.6 | 69% | 0.692 | 58% | 0.579 | S | S | * | * | trans | -117.2 | 77.5 | 153.2 | -162.4 | 160.9 | 59.1 | 0 | 0 | 105.3 | E82 | Q80-E82 PolarHBondContact O-N 2.89Š| ||
| 81 | E | 42.7 | Very low | 64.8 | Low | 174 Ų | 174 | 115.9 Ų | 115.9 | 81% | 0.813 | 60% | 0.6 | S | S | * | * | trans | -51.9 | 123.9 | 164.6 | -171.1 | 170.8 | 180 | 0 | 0 | 106.4 | D83 | E81-D83 PolarHBondContact O-N 3.18Š| ||
| 82 | E | 43.9 | Very low | 65.3 | Low | 187 Ų | 187 | 109.9 Ų | 109.9 | 87% | 0.874 | 57% | 0.574 | S | S | * | * | trans | -62.9 | 103.1 | 177.4 | -155 | -154 | -173.9 | 0 | 0 | 106.8 | Q80 | Q80-E82 PolarHBondContact O-N 2.89Š| ||
| 83 | D | 48.8 | Very low | 66 | Low | 147 Ų | 147 | 107.8 Ų | 107.8 | 79% | 0.786 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 125.2 | -174.5 | -121 | -39.8 | 0 | 0 | 0 | 108.2 | E81 | E81-D83 PolarHBondContact O-N 3.18Š|
| 84 | P | 57.6 | Low | 67.2 | Low | 88 Ų | 88 | 110.3 Ų | 110.3 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 150.2 | 179.3 | -22.5 | 30.3 | 0 | 0 | 0 | 110.8 | D86 | P84-D86 PolarHBondContact O-N 3.28Š|
| 85 | P | 61 | Low | 68.8 | Low | 125 Ų | 125 | 108.1 Ų | 108.1 | 81% | 0.812 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 123.6 | 176.5 | 21.1 | -31.8 | 0 | 0 | 0 | 109.2 | A87 | P85-A87 VanDerWaalsContact C-N 3.34Å; P85-A87 PolarHBondContact O-N 3.5Å |
| 86 | D | 75.6 | Confident | 70.4 | Confident | 49 Ų | 49 | 103.8 Ų | 103.8 | 26% | 0.262 | 53% | 0.526 | S | S | . | . | trans | -61.4 | 87.5 | -164 | -175 | 6.8 | 0 | 0 | 0 | 112.5 | P84 Q88 L89 L90 R196 | P84-D86 PolarHBondContact O-N 3.28Å; D86-Q88 PolarHBondContact O-N 3.46Å; D86-L89 HydrophobicContact CB-CB 4.04Å; D86-L89 WeakPolarHBondContact O-CB 3.32Å; D86-L89 PolarHBondContact O-N 2.96Å; D86-L89 VanDerWaalsContact OD2-CB 3.32Å; D86-L89 WeakPolarHBondContact OD2-CB 3.29Å; D86-L90 PolarHBondContact O-N 3.4Å; D86-L90 VanDerWaalsContact O-N 3.13Å; D86-R196 VanDerWaalsContact CG-CZ 3.41Å; D86-R196 IonicContact OD1-CZ 3.68Å; D86-R196 IonicContact OD1-NH1 2.76Å; D86-R196 PolarHBondContact OD1-NH1 2.91Å; D86-R196 IonicContact OD1-NH2 2.63Å; D86-R196 PolarHBondContact OD1-NH2 3.33Å; D86-R196 IonicContact OD2-CZ 3.75Å; D86-R196 IonicContact OD2-NE 3.24Å; D86-R196 IonicContact OD2-NH1 2.79Å; D86-R196 PolarHBondContact OD2-NH1 3.46Å; D86-R196 IonicContact OD2-NH2 3.95Å; D86-R196 PolarHBondContact OD2-NH2 2.85Å | ||
| 87 | A | 83.6 | Confident | 71.9 | Confident | 75 Ų | 75 | 100.5 Ų | 100.5 | 62% | 0.62 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.8 | -29.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P85 R91 | P85-A87 VanDerWaalsContact C-N 3.34Å; P85-A87 PolarHBondContact O-N 3.5Å; A87-R91 WeakPolarHBondContact O-CB 3.26Å; A87-R91 PolarHBondContact O-N 3.23Å |
| 88 | Q | 85.8 | Confident | 73.3 | Confident | 100 Ų | 100 | 100.4 Ų | 100.4 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.1 | -39.8 | 175.5 | 176.2 | 179.2 | 3.6 | 0 | 0 | 112 | D86 R91 L92 | D86-Q88 PolarHBondContact O-N 3.46Å; Q88-R91 PolarHBondContact O-N 2.95Å; Q88-L92 HydrophobicContact CG-CD1 4.41Å; Q88-L92 WeakPolarHBondContact O-CG 3.23Å; Q88-L92 PolarHBondContact O-N 3.33Å |
| 89 | L | 88.6 | Confident | 75.1 | Confident | 25 Ų | 25 | 94 Ų | 94 | 13% | 0.131 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 176.9 | -170.6 | 70.5 | 0 | 0 | 0 | 110.8 | D86 R91 L92 D93 T192 R196 K199 | D86-L89 HydrophobicContact CB-CB 4.04Å; D86-L89 WeakPolarHBondContact O-CB 3.32Å; D86-L89 PolarHBondContact O-N 2.96Å; D86-L89 VanDerWaalsContact OD2-CB 3.32Å; D86-L89 WeakPolarHBondContact OD2-CB 3.29Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 PolarHBondContact O-N 2.85Å; L89-L92 VanDerWaalsContact O-N 3.13Å; L89-D93 PolarHBondContact O-N 3.21Å; L89-T192 HydrophobicContact CD2-CG2 4.1Å; L89-R196 HydrophobicContact CD1-CB 3.97Å; L89-R196 HydrophobicContact CD1-CG 4.39Å; L89-K199 HydrophobicContact CD1-CD 3.76Å |
| 90 | L | 88.3 | Confident | 77 | Confident | 109 Ų | 109 | 86.3 Ų | 86.3 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61 | -40.6 | 175.8 | -173.8 | 68.4 | 0 | 0 | 0 | 112 | D86 L92 D93 N94 | D86-L90 PolarHBondContact O-N 3.4Å; D86-L90 VanDerWaalsContact O-N 3.13Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.39Å; L90-D93 PolarHBondContact O-N 3.39Å; L90-N94 PolarHBondContact O-N 2.9Å; L90-N94 PolarHBondContact O-ND2 3.5Å |
| 91 | R | 91.2 | Very high | 78.7 | Confident | 176 Ų | 176 | 79.3 Ų | 79.3 | 66% | 0.664 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 174.4 | 177.9 | -179.1 | 170.1 | -169.8 | -3.8 | 111.8 | A87 Q88 L89 N94 M95 | A87-R91 WeakPolarHBondContact O-CB 3.26Å; A87-R91 PolarHBondContact O-N 3.23Å; Q88-R91 PolarHBondContact O-N 2.95Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.31Å; R91-N94 PolarHBondContact O-N 3.45Å; R91-M95 PolarHBondContact O-N 3.27Å |
| 92 | L | 91.6 | Very high | 80.6 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.026 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 177.3 | -71 | 169.5 | 0 | 0 | 0 | 111.6 | Q88 L89 L90 N94 M95 L96 R196 K199 Q200 C203 | Q88-L92 HydrophobicContact CG-CD1 4.41Å; Q88-L92 WeakPolarHBondContact O-CG 3.23Å; Q88-L92 PolarHBondContact O-N 3.33Å; L89-L92 WeakPolarHBondContact O-CB 3.45Å; L89-L92 PolarHBondContact O-N 2.85Å; L89-L92 VanDerWaalsContact O-N 3.13Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 3.39Å; L92-N94 PolarHBondContact O-N 3.21Å; L92-M95 WeakPolarHBondContact O-CB 3.41Å; L92-M95 PolarHBondContact O-N 2.95Å; L92-M95 VanDerWaalsContact O-N 3.16Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-L96 PolarHBondContact O-N 2.97Å; L92-R196 HydrophobicContact CD1-CG 4Å; L92-K199 HydrophobicContact CB-CB 3.98Å; L92-K199 HydrophobicContact CB-CD 4.49Å; L92-K199 HydrophobicContact CD1-CB 4.12Å; L92-Q200 HydrophobicContact CD1-CB 4.12Å; L92-Q200 HydrophobicContact CD2-CB 4.46Å; L92-C203 HydrophobicContact CD2-CB 4.16Å |
| 93 | D | 90.6 | Very high | 81.7 | Confident | 40 Ų | 40 | 72.4 Ų | 72.4 | 21% | 0.214 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 174.9 | -79.3 | -37.2 | 0 | 0 | 0 | 112.3 | L89 L90 M95 L96 L97 K199 | L89-D93 PolarHBondContact O-N 3.21Å; L90-D93 PolarHBondContact O-N 3.39Å; D93-M95 VanDerWaalsContact C-N 3.26Å; D93-M95 PolarHBondContact O-N 3.48Å; D93-L96 PolarHBondContact O-N 3.2Å; D93-L97 WeakPolarHBondContact O-CB 3.46Å; D93-L97 VanDerWaalsContact O-CG 3.24Å; D93-L97 WeakPolarHBondContact O-CG 3.45Å; D93-L97 PolarHBondContact O-N 3.25Å; D93-K199 VanDerWaalsContact OD1-CD 3.29Å; D93-K199 WeakPolarHBondContact OD1-CD 3.37Å; D93-K199 WeakPolarHBondContact OD1-CE 3.22Å; D93-K199 IonicContact OD1-NZ 2.76Å; D93-K199 PolarHBondContact OD1-NZ 3.47Å; D93-K199 IonicContact OD2-NZ 2.71Å; D93-K199 PolarHBondContact OD2-NZ 3.04Å |
| 94 | N | 92.4 | Very high | 81.9 | Confident | 92 Ų | 92 | 70.3 Ų | 70.3 | 49% | 0.492 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 175.6 | -73 | -41.7 | 0 | 0 | 0 | 112.1 | L90 R91 L92 A98 | L90-N94 PolarHBondContact O-N 2.9Å; L90-N94 PolarHBondContact O-ND2 3.5Å; R91-N94 PolarHBondContact O-N 3.45Å; L92-N94 PolarHBondContact O-N 3.21Å; N94-A98 WeakPolarHBondContact O-CB 3.44Å; N94-A98 PolarHBondContact O-N 2.78Å |
| 95 | M | 89.9 | Confident | 81.3 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 176.8 | -166.5 | -177.1 | -48.6 | 0 | 0 | 111.9 | R91 L92 D93 A98 E99 C203 M207 | R91-M95 PolarHBondContact O-N 3.27Å; L92-M95 WeakPolarHBondContact O-CB 3.41Å; L92-M95 PolarHBondContact O-N 2.95Å; L92-M95 VanDerWaalsContact O-N 3.16Å; D93-M95 VanDerWaalsContact C-N 3.26Å; D93-M95 PolarHBondContact O-N 3.48Å; M95-A98 PolarHBondContact O-N 2.93Å; M95-E99 PolarHBondContact O-N 3.49Å; M95-C203 HydrophobicContact SD-CB 3.58Å; M95-C203 VanDerWaalsContact SD-CB 3.58Å; M95-M207 HydrophobicContact CG-CE 4.33Å; M95-M207 HydrophobicContact SD-CE 4.12Å |
| 96 | L | 91.9 | Very high | 80.3 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 177.7 | -67.8 | 178.1 | 0 | 0 | 0 | 112 | L92 D93 G100 V101 S102 Y144 K199 T202 C203 | L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-L96 PolarHBondContact O-N 2.97Å; D93-L96 PolarHBondContact O-N 3.2Å; L96-G100 PolarHBondContact O-N 3.1Å; L96-V101 HydrophobicContact CB-CB 4.27Å; L96-V101 HydrophobicContact CD2-CB 4.02Å; L96-V101 HydrophobicContact CD2-CG1 3.94Å; L96-V101 WeakPolarHBondContact O-CA 3.39Å; L96-V101 PolarHBondContact O-N 3.39Å; L96-S102 WeakPolarHBondContact CB-OG 3.25Å; L96-S102 PolarHBondContact O-N 3.36Å; L96-S102 VanDerWaalsContact O-N 3.11Å; L96-Y144 HydrophobicContact CD1-CE1 4.5Å; L96-Y144 HydrophobicContact CD1-CE2 3.91Å; L96-K199 HydrophobicContact CD1-CB 3.84Å; L96-K199 HydrophobicContact CD1-CD 4.37Å; L96-K199 HydrophobicContact CD1-CG 3.72Å; L96-T202 HydrophobicContact CD2-CG2 3.59Å; L96-C203 VanDerWaalsContact CD2-SG 3.51Å |
| 97 | L | 91.3 | Very high | 78.7 | Confident | 70 Ų | 70 | 88.4 Ų | 88.4 | 37% | 0.366 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 174.1 | -76.9 | 166.3 | 0 | 0 | 0 | 111.5 | D93 E99 G100 P104 | D93-L97 WeakPolarHBondContact O-CB 3.46Å; D93-L97 VanDerWaalsContact O-CG 3.24Å; D93-L97 WeakPolarHBondContact O-CG 3.45Å; D93-L97 PolarHBondContact O-N 3.25Å; L97-E99 VanDerWaalsContact C-N 3.3Å; L97-E99 PolarHBondContact O-N 3.33Å; L97-G100 WeakPolarHBondContact O-CA 3.29Å; L97-G100 PolarHBondContact O-N 3.27Å; L97-P104 HydrophobicContact CD2-CG 4.5Å |
| 98 | A | 86.8 | Confident | 76.4 | Confident | 87 Ų | 87 | 87.4 Ų | 87.4 | 72% | 0.719 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.8 | -37.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | N94 M95 G100 | N94-A98 WeakPolarHBondContact O-CB 3.44Å; N94-A98 PolarHBondContact O-N 2.78Å; M95-A98 PolarHBondContact O-N 2.93Å; A98-G100 PolarHBondContact O-N 2.91Å |
| 99 | E | 85.5 | Confident | 74.2 | Confident | 33 Ų | 33 | 94.6 Ų | 94.6 | 15% | 0.154 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 5.1 | 177.1 | -63.5 | -72.9 | 167.7 | 0 | 0 | 112.2 | M95 L97 V101 R141 V206 M207 R210 | M95-E99 PolarHBondContact O-N 3.49Å; L97-E99 VanDerWaalsContact C-N 3.3Å; L97-E99 PolarHBondContact O-N 3.33Å; E99-V101 HydrophobicContact CB-CG2 4.18Å; E99-V101 PolarHBondContact O-N 2.61Å; E99-R141 PolarHBondContact O-NH2 3.04Å; E99-V206 HydrophobicContact CB-CG1 3.93Å; E99-V206 HydrophobicContact CG-CG1 3.69Å; E99-M207 HydrophobicContact CG-CE 4.23Å; E99-R210 IonicContact OE1-NH1 3.08Å; E99-R210 PolarHBondContact OE1-NH1 3.4Å |
| 100 | G | 82.9 | Confident | 72 | Confident | 28 Ų | 28 | 97.3 Ų | 97.3 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 17.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L96 L97 A98 R141 | L96-G100 PolarHBondContact O-N 3.1Å; L97-G100 WeakPolarHBondContact O-CA 3.29Å; L97-G100 PolarHBondContact O-N 3.27Å; A98-G100 PolarHBondContact O-N 2.91Å; G100-R141 VanDerWaalsContact C-CZ 3.46Å; G100-R141 VanDerWaalsContact O-CD 3.27Å; G100-R141 WeakPolarHBondContact O-CD 3.19Å; G100-R141 PolarHBondContact O-NE 3.29Å; G100-R141 PolarHBondContact O-NH1 2.9Å; G100-R141 PolarHBondContact O-NH2 3.41Å |
| 101 | V | 83.3 | Confident | 69.4 | Low | 0 Ų | 0 | 96.7 Ų | 96.7 | 0% | 0 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -78.6 | -44.7 | 179.9 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | L96 E99 L137 R141 Y144 H145 T202 V206 | L96-V101 HydrophobicContact CB-CB 4.27Å; L96-V101 HydrophobicContact CD2-CB 4.02Å; L96-V101 HydrophobicContact CD2-CG1 3.94Å; L96-V101 WeakPolarHBondContact O-CA 3.39Å; L96-V101 PolarHBondContact O-N 3.39Å; E99-V101 HydrophobicContact CB-CG2 4.18Å; E99-V101 PolarHBondContact O-N 2.61Å; V101-L137 HydrophobicContact CG2-CD1 4.07Å; V101-R141 HydrophobicContact CB-CG 4.15Å; V101-R141 HydrophobicContact CG1-CG 4.14Å; V101-R141 HydrophobicContact CG2-CG 3.93Å; V101-Y144 HydrophobicContact CG1-CD1 3.94Å; V101-Y144 HydrophobicContact CG1-CG 4.13Å; V101-H145 PolarHBondContact O-CE1 3.26Å; V101-T202 HydrophobicContact CG1-CG2 3.77Å; V101-V206 HydrophobicContact CG2-CG2 3.85Å |
| 102 | S | 81.1 | Confident | 67.3 | Low | 14 Ų | 14 | 93.5 Ų | 93.5 | 10% | 0.098 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -85.9 | 137.6 | 166 | -64.3 | 0 | 0 | 0 | 0 | 108.7 | L96 | L96-S102 WeakPolarHBondContact CB-OG 3.25Å; L96-S102 PolarHBondContact O-N 3.36Å; L96-S102 VanDerWaalsContact O-N 3.11Å |
| 103 | R | 67.5 | Low | 64.7 | Low | 203 Ų | 203 | 97.8 Ų | 97.8 | 77% | 0.766 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 145.9 | 167.4 | -70.8 | -174 | 174.9 | -179.1 | 0.7 | 108.8 | E105 | R103-E105 PolarHBondContact O-N 3.06Š|
| 104 | P | 52.8 | Low | 62.3 | Low | 102 Ų | 102 | 99.2 Ų | 99.2 | 66% | 0.662 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 123.3 | 156.4 | -9.8 | 24.3 | 0 | 0 | 0 | 106 | L97 K106 | L97-P104 HydrophobicContact CD2-CG 4.5Å; P104-K106 PolarHBondContact O-N 3.36Å |
| 105 | E | 45.9 | Very low | 59.6 | Low | 205 Ų | 205 | 101.5 Ų | 101.5 | 96% | 0.958 | 59% | 0.593 | S | S | * | * | trans | -59.7 | 87.1 | 168.5 | -101.8 | -165.1 | 123.2 | 0 | 0 | 108.3 | R103 | R103-E105 PolarHBondContact O-N 3.06Š| ||
| 106 | K | 40.8 | Very low | 57 | Low | 182 Ų | 182 | 105.5 Ų | 105.5 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | trans | -104.8 | 87.5 | 166.5 | -145.5 | 176.8 | -173.4 | -178.2 | 0 | 106.1 | P104 G108 | P104-K106 PolarHBondContact O-N 3.36Å; K106-G108 PolarHBondContact O-N 3.35Å | ||
| 107 | R | 41.9 | Very low | 54.2 | Low | 255 Ų | 255 | 110.2 Ų | 110.2 | 96% | 0.962 | 66% | 0.659 | S | S | * | * | trans | -49 | 108.8 | 156.7 | -174.9 | 177.7 | -174.3 | -137.5 | 2.4 | 107 | ||||
| 108 | G | 35 | Very low | 51.4 | Low | 55 Ų | 55 | 113.5 Ų | 113.5 | 57% | 0.567 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 125.5 | 101.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115 | K106 | K106-G108 PolarHBondContact O-N 3.35Š|
| 109 | R | 38.9 | Very low | 49.4 | Very low | 251 Ų | 251 | 115.4 Ų | 115.4 | 95% | 0.947 | 69% | 0.688 | S | S | * | * | trans | 55.4 | 106.4 | 137.1 | -150 | 172.6 | -134.8 | -101.8 | 1.1 | 117.6 | ||||
| 110 | G | 43.1 | Very low | 47.2 | Very low | 81 Ų | 81 | 118 Ų | 118 | 84% | 0.835 | 72% | 0.723 | S | S | * | * | trans | 41.9 | 102.4 | 141.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 111 | A | 32.6 | Very low | 45.1 | Very low | 96 Ų | 96 | 119.6 Ų | 119.6 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | trans | -153.8 | 103.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | A113 | A111-A113 PolarHBondContact O-N 2.91Å; A111-A113 VanDerWaalsContact O-N 3.09Å | ||
| 112 | A | 46.9 | Very low | 43.2 | Very low | 109 Ų | 109 | 126 Ų | 126 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -63 | 102.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | G114 | A112-G114 PolarHBondContact O-N 2.71Š| ||
| 113 | A | 38.1 | Very low | 41.8 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -85.9 | 87.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | A111 T115 | A111-A113 PolarHBondContact O-N 2.91Å; A111-A113 VanDerWaalsContact O-N 3.09Å; A113-T115 PolarHBondContact O-N 2.79Å | ||
| 114 | G | 39.5 | Very low | 41 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | -65 | 119.3 | 165 | 0 | 0 | 0 | 0 | 0 | 109.3 | A112 | A112-G114 PolarHBondContact O-N 2.71Š| ||
| 115 | T | 36.4 | Very low | 40.9 | Very low | 141 Ų | 141 | 126 Ų | 126 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -88.7 | 110.3 | 163.9 | 38.2 | 0 | 0 | 0 | 0 | 108.3 | A113 | A113-T115 PolarHBondContact O-N 2.79Š| ||
| 116 | T | 34.3 | Very low | 41.5 | Very low | 138 Ų | 138 | 120 Ų | 120 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 125.3 | 172.6 | 42.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 117 | A | 33.9 | Very low | 42.5 | Very low | 99 Ų | 99 | 114.8 Ų | 114.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 131.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 118 | T | 31.9 | Very low | 43.4 | Very low | 140 Ų | 140 | 107.6 Ų | 107.6 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 129.1 | 163.6 | -48 | 0 | 0 | 0 | 0 | 108.5 | ||
| 119 | P | 44.5 | Very low | 45 | Very low | 127 Ų | 127 | 106.1 Ų | 106.1 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 125.9 | -174.7 | 33.2 | -29 | 0 | 0 | 0 | 111.4 | ||
| 120 | G | 39.3 | Very low | 46.8 | Very low | 86 Ų | 86 | 99.1 Ų | 99.1 | 89% | 0.887 | 70% | 0.7 | S | S | * | * | trans | 177.6 | 81.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 121 | G | 38.6 | Very low | 48.9 | Very low | 63 Ų | 63 | 98.6 Ų | 98.6 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 155.3 | 126.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 122 | C | 44.7 | Very low | 51.4 | Low | 134 Ų | 134 | 97.9 Ų | 97.9 | 91% | 0.905 | 67% | 0.666 | S | S | * | * | trans | -47 | 126.8 | -174.3 | -63.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 123 | P | 50.8 | Low | 53.5 | Low | 78 Ų | 78 | 94.1 Ų | 94.1 | 51% | 0.506 | 63% | 0.629 | S | S | . | * | trans | -108.8 | -10.9 | -145.4 | 7.6 | 15 | 0 | 0 | 0 | 115.9 | S127 | P123-S127 WeakPolarHBondContact O-CB 3.39Å; P123-S127 PolarHBondContact O-N 2.91Å | ||
| 124 | N | 51.5 | Low | 55.9 | Low | 125 Ų | 125 | 99 Ų | 99 | 67% | 0.668 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.3 | -36.4 | -153.2 | -69.2 | -4.6 | 0 | 0 | 0 | 114.8 | I128 | N124-I128 WeakPolarHBondContact O-CD1 3.37Å; N124-I128 VanDerWaalsContact O-CG1 3.22Å; N124-I128 WeakPolarHBondContact O-CG1 3.42Å |
| 125 | D | 51.1 | Low | 58.4 | Low | 116 Ų | 116 | 98.5 Ų | 98.5 | 62% | 0.62 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -87.2 | -22.3 | -175.2 | -138.7 | -32.6 | 0 | 0 | 0 | 113.6 | R217 | D125-R217 PolarHBondContact O-NH1 3.47Å; D125-R217 PolarHBondContact O-NH2 3.09Å; D125-R217 IonicContact OD1-NH2 3.88Å; D125-R217 PolarHBondContact OD1-NH2 2.77Å; D125-R217 VanDerWaalsContact OD1-NH2 3.08Å |
| 126 | T | 58 | Low | 61.1 | Low | 80 Ų | 80 | 94.6 Ų | 94.6 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -94.5 | -33.4 | -179.7 | -41.3 | 0 | 0 | 0 | 0 | 111.3 | A129 H130 | T126-A129 PolarHBondContact O-N 2.91Å; T126-H130 PolarHBondContact O-CD2 2.76Å; T126-H130 PolarHBondContact O-N 3.49Å |
| 127 | S | 62 | Low | 63.9 | Low | 72 Ų | 72 | 88.7 Ų | 88.7 | 50% | 0.503 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 112.1 | P123 A129 H130 S131 | P123-S127 WeakPolarHBondContact O-CB 3.39Å; P123-S127 PolarHBondContact O-N 2.91Å; S127-A129 PolarHBondContact O-N 3.32Å; S127-H130 PolarHBondContact O-N 3.42Å; S127-S131 WeakPolarHBondContact O-CB 3.36Å; S127-S131 PolarHBondContact O-N 3.34Å |
| 128 | I | 61.2 | Low | 66.7 | Low | 103 Ų | 103 | 87.2 Ų | 87.2 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 177.9 | -64.4 | 168.5 | 0 | 0 | 0 | 110.5 | N124 H130 S131 D132 | N124-I128 WeakPolarHBondContact O-CD1 3.37Å; N124-I128 VanDerWaalsContact O-CG1 3.22Å; N124-I128 WeakPolarHBondContact O-CG1 3.42Å; I128-H130 PolarHBondContact O-N 2.93Å; I128-S131 WeakPolarHBondContact O-CB 3.42Å; I128-S131 PolarHBondContact O-N 2.92Å; I128-S131 VanDerWaalsContact O-N 3.15Å; I128-D132 PolarHBondContact O-N 3.47Å |
| 129 | A | 67.6 | Low | 69.7 | Low | 25 Ų | 25 | 83.9 Ų | 83.9 | 21% | 0.207 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T126 S127 Y133 | T126-A129 PolarHBondContact O-N 2.91Å; S127-A129 PolarHBondContact O-N 3.32Å; A129-Y133 WeakPolarHBondContact O-CB 3.38Å; A129-Y133 PolarHBondContact O-N 3.49Å |
| 130 | H | 77.8 | Confident | 72.2 | Confident | 103 Ų | 103 | 79.3 Ų | 79.3 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.2 | -34.8 | 172 | -82.4 | -62.6 | 0 | 0 | 0 | 112.3 | T126 S127 I128 R134 | T126-H130 PolarHBondContact O-CD2 2.76Å; T126-H130 PolarHBondContact O-N 3.49Å; S127-H130 PolarHBondContact O-N 3.42Å; I128-H130 PolarHBondContact O-N 2.93Å; H130-R134 VanDerWaalsContact O-CB 3.24Å; H130-R134 WeakPolarHBondContact O-CB 3.33Å; H130-R134 PolarHBondContact O-N 3.37Å |
| 131 | S | 85.3 | Confident | 74.8 | Confident | 71 Ų | 71 | 79.2 Ų | 79.2 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 172.1 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | S127 I128 Y133 R134 A135 | S127-S131 WeakPolarHBondContact O-CB 3.36Å; S127-S131 PolarHBondContact O-N 3.34Å; I128-S131 WeakPolarHBondContact O-CB 3.42Å; I128-S131 PolarHBondContact O-N 2.92Å; I128-S131 VanDerWaalsContact O-N 3.15Å; S131-Y133 PolarHBondContact O-N 3.3Å; S131-R134 PolarHBondContact O-N 3.04Å; S131-A135 WeakPolarHBondContact O-CB 3.27Å; S131-A135 PolarHBondContact O-N 3.34Å |
| 132 | D | 86.7 | Confident | 77.5 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 43% | 0.433 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 179.1 | -69.8 | -14.8 | 0 | 0 | 0 | 112.3 | I128 A135 K136 | I128-D132 PolarHBondContact O-N 3.47Å; D132-A135 PolarHBondContact O-N 3.24Å; D132-K136 WeakPolarHBondContact O-CB 3.29Å; D132-K136 WeakPolarHBondContact O-CG 3.4Å; D132-K136 PolarHBondContact O-N 3.25Å |
| 133 | Y | 89.6 | Confident | 80 | Confident | 30 Ų | 30 | 80.6 Ų | 80.6 | 12% | 0.118 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 173.5 | 175 | -96.2 | 0 | 0 | 0 | 111.1 | A129 S131 K136 L137 L209 L213 L214 | A129-Y133 WeakPolarHBondContact O-CB 3.38Å; A129-Y133 PolarHBondContact O-N 3.49Å; S131-Y133 PolarHBondContact O-N 3.3Å; Y133-K136 PolarHBondContact O-N 3.01Å; Y133-L137 HydrophobicContact CE1-CD2 4.06Å; Y133-L137 VanDerWaalsContact O-CB 3.23Å; Y133-L137 WeakPolarHBondContact O-CB 3.25Å; Y133-L137 PolarHBondContact O-N 2.94Å; Y133-L209 HydrophobicContact CD2-CD2 3.99Å; Y133-L209 HydrophobicContact CD2-CG 3.8Å; Y133-L209 HydrophobicContact CE2-CD2 3.9Å; Y133-L209 HydrophobicContact CE2-CG 3.8Å; Y133-L213 HydrophobicContact CD2-CB 4.26Å; Y133-L213 HydrophobicContact CD2-CD1 4.25Å; Y133-L214 HydrophobicContact CD2-CD1 4.05Å; Y133-L214 HydrophobicContact CD2-CG 4.21Å; Y133-L214 HydrophobicContact CE1-CD1 4.12Å; Y133-L214 HydrophobicContact CE2-CD1 3.63Å; Y133-L214 HydrophobicContact CE2-CG 4.24Å; Y133-L214 HydrophobicContact CG-CD1 4.48Å |
| 134 | R | 89.3 | Confident | 82.2 | Confident | 198 Ų | 198 | 77.3 Ų | 77.3 | 75% | 0.747 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.7 | -40.5 | 179 | -173.5 | 179 | -176.7 | 173.2 | 1.9 | 112 | H130 S131 S138 | H130-R134 VanDerWaalsContact O-CB 3.24Å; H130-R134 WeakPolarHBondContact O-CB 3.33Å; H130-R134 PolarHBondContact O-N 3.37Å; S131-R134 PolarHBondContact O-N 3.04Å; R134-S138 WeakPolarHBondContact O-CB 3.4Å; R134-S138 PolarHBondContact O-N 3.33Å |
| 135 | A | 91.7 | Very high | 84.3 | Confident | 58 Ų | 58 | 74.9 Ų | 74.9 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.3 | -49 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S131 D132 L137 S138 Q139 | S131-A135 WeakPolarHBondContact O-CB 3.27Å; S131-A135 PolarHBondContact O-N 3.34Å; D132-A135 PolarHBondContact O-N 3.24Å; A135-L137 PolarHBondContact O-N 3.11Å; A135-S138 WeakPolarHBondContact O-CB 3.4Å; A135-S138 PolarHBondContact O-N 2.72Å; A135-Q139 PolarHBondContact O-N 3.34Å |
| 136 | K | 92.9 | Very high | 86.4 | Confident | 60 Ų | 60 | 71.5 Ų | 71.5 | 26% | 0.261 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64 | -39 | 176.8 | -73.7 | 174.9 | 174.6 | -176.5 | 0 | 112.4 | D132 Y133 Q139 I140 L209 L213 L337 | D132-K136 WeakPolarHBondContact O-CB 3.29Å; D132-K136 WeakPolarHBondContact O-CG 3.4Å; D132-K136 PolarHBondContact O-N 3.25Å; Y133-K136 PolarHBondContact O-N 3.01Å; K136-Q139 WeakPolarHBondContact O-CB 3.37Å; K136-Q139 PolarHBondContact O-N 3.48Å; K136-I140 WeakPolarHBondContact O-CG1 3.28Å; K136-I140 PolarHBondContact O-N 2.75Å; K136-L209 HydrophobicContact CB-CD1 3.72Å; K136-L209 HydrophobicContact CB-CD2 3.88Å; K136-L209 HydrophobicContact CB-CG 4.48Å; K136-L209 HydrophobicContact CD-CD1 3.84Å; K136-L209 HydrophobicContact CG-CD1 4.4Å; K136-L213 HydrophobicContact CD-CD1 4.01Å; K136-L337 HydrophobicContact CD-CD2 3.62Å; K136-L337 HydrophobicContact CG-CD2 4.07Å |
| 137 | L | 93.1 | Very high | 88.2 | Confident | 13 Ų | 13 | 70.3 Ų | 70.3 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 173.5 | -175.4 | 61.2 | 0 | 0 | 0 | 110.3 | V101 Y133 A135 Q139 I140 R141 V206 L209 | V101-L137 HydrophobicContact CG2-CD1 4.07Å; Y133-L137 HydrophobicContact CE1-CD2 4.06Å; Y133-L137 VanDerWaalsContact O-CB 3.23Å; Y133-L137 WeakPolarHBondContact O-CB 3.25Å; Y133-L137 PolarHBondContact O-N 2.94Å; A135-L137 PolarHBondContact O-N 3.11Å; L137-Q139 VanDerWaalsContact C-N 3.28Å; L137-Q139 PolarHBondContact O-N 2.77Å; L137-I140 PolarHBondContact O-N 2.91Å; L137-I140 VanDerWaalsContact O-N 3.17Å; L137-R141 VanDerWaalsContact O-CG 3.29Å; L137-R141 WeakPolarHBondContact O-CG 3.32Å; L137-R141 PolarHBondContact O-N 3.24Å; L137-V206 HydrophobicContact CD1-CG1 4.3Å; L137-V206 HydrophobicContact CD1-CG2 4.09Å; L137-L209 HydrophobicContact CB-CD2 4.07Å |
| 138 | S | 93.3 | Very high | 89.7 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 175 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | R134 A135 R141 Q142 | R134-S138 WeakPolarHBondContact O-CB 3.4Å; R134-S138 PolarHBondContact O-N 3.33Å; A135-S138 WeakPolarHBondContact O-CB 3.4Å; A135-S138 PolarHBondContact O-N 2.72Å; S138-R141 WeakPolarHBondContact O-CB 3.33Å; S138-R141 PolarHBondContact O-N 3.05Å; S138-Q142 PolarHBondContact O-N 2.98Å |
| 139 | Q | 95.9 | Very high | 91.4 | Very high | 70 Ų | 70 | 69.5 Ų | 69.5 | 33% | 0.327 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 174.8 | -172.4 | -178.2 | 5.4 | 0 | 0 | 111.7 | A135 K136 L137 R141 Q142 I143 | A135-Q139 PolarHBondContact O-N 3.34Å; K136-Q139 WeakPolarHBondContact O-CB 3.37Å; K136-Q139 PolarHBondContact O-N 3.48Å; L137-Q139 VanDerWaalsContact C-N 3.28Å; L137-Q139 PolarHBondContact O-N 2.77Å; Q139-R141 VanDerWaalsContact C-N 3.27Å; Q139-R141 PolarHBondContact O-N 2.86Å; Q139-Q142 PolarHBondContact O-N 3.38Å; Q139-I143 HydrophobicContact CG-CD1 4.04Å; Q139-I143 WeakPolarHBondContact O-CG1 3.17Å; Q139-I143 PolarHBondContact O-N 3.13Å |
| 140 | I | 95.5 | Very high | 92.7 | Very high | 30 Ų | 30 | 74 Ų | 74 | 15% | 0.154 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.6 | -42.9 | 174.5 | -66.5 | 170.2 | 0 | 0 | 0 | 110.4 | K136 L137 Q142 I143 Y144 T202 A205 V206 L209 | K136-I140 WeakPolarHBondContact O-CG1 3.28Å; K136-I140 PolarHBondContact O-N 2.75Å; L137-I140 PolarHBondContact O-N 2.91Å; L137-I140 VanDerWaalsContact O-N 3.17Å; I140-Q142 PolarHBondContact O-N 3.13Å; I140-I143 PolarHBondContact O-N 2.91Å; I140-Y144 WeakPolarHBondContact O-CB 3.41Å; I140-Y144 PolarHBondContact O-N 2.9Å; I140-T202 HydrophobicContact CG2-CG2 3.85Å; I140-A205 HydrophobicContact CD1-CB 4.14Å; I140-V206 HydrophobicContact CD1-CG2 4.47Å; I140-V206 HydrophobicContact CG2-CG2 4Å; I140-L209 HydrophobicContact CD1-CB 4.29Å; I140-L209 HydrophobicContact CD1-CD2 3.82Å |
| 141 | R | 94.8 | Very high | 93.5 | Very high | 85 Ų | 85 | 73.1 Ų | 73.1 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 176.5 | -63.4 | -173.5 | -173.5 | 173.6 | -5.9 | 112.2 | E99 G100 V101 L137 S138 Q139 Y144 H145 | E99-R141 PolarHBondContact O-NH2 3.04Å; G100-R141 VanDerWaalsContact C-CZ 3.46Å; G100-R141 VanDerWaalsContact O-CD 3.27Å; G100-R141 WeakPolarHBondContact O-CD 3.19Å; G100-R141 PolarHBondContact O-NE 3.29Å; G100-R141 PolarHBondContact O-NH1 2.9Å; G100-R141 PolarHBondContact O-NH2 3.41Å; V101-R141 HydrophobicContact CB-CG 4.15Å; V101-R141 HydrophobicContact CG1-CG 4.14Å; V101-R141 HydrophobicContact CG2-CG 3.93Å; L137-R141 VanDerWaalsContact O-CG 3.29Å; L137-R141 WeakPolarHBondContact O-CG 3.32Å; L137-R141 PolarHBondContact O-N 3.24Å; S138-R141 WeakPolarHBondContact O-CB 3.33Å; S138-R141 PolarHBondContact O-N 3.05Å; Q139-R141 VanDerWaalsContact C-N 3.27Å; Q139-R141 PolarHBondContact O-N 2.86Å; R141-Y144 PolarHBondContact O-N 3.41Å; R141-H145 PolarHBondContact O-N 3.07Å; R141-H145 VanDerWaalsContact O-N 3.12Å; R141-H145 PolarHBondContact O-ND1 3.24Å |
| 142 | Q | 95.8 | Very high | 93.9 | Very high | 145 Ų | 145 | 73.9 Ų | 73.9 | 68% | 0.678 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.3 | -44.2 | -179.3 | -174.9 | 178.2 | -4.9 | 0 | 0 | 111.3 | S138 Q139 I140 H145 S146 | S138-Q142 PolarHBondContact O-N 2.98Å; Q139-Q142 PolarHBondContact O-N 3.38Å; I140-Q142 PolarHBondContact O-N 3.13Å; Q142-H145 PolarHBondContact O-N 2.65Å; Q142-S146 VanDerWaalsContact O-CB 3.29Å; Q142-S146 WeakPolarHBondContact O-CB 3.36Å; Q142-S146 PolarHBondContact O-N 2.77Å |
| 143 | I | 95.9 | Very high | 94.3 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 42% | 0.415 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 177.3 | -66.1 | 167.4 | 0 | 0 | 0 | 110.3 | Q139 I140 H145 S146 E147 | Q139-I143 HydrophobicContact CG-CD1 4.04Å; Q139-I143 WeakPolarHBondContact O-CG1 3.17Å; Q139-I143 PolarHBondContact O-N 3.13Å; I140-I143 PolarHBondContact O-N 2.91Å; I143-H145 PolarHBondContact O-N 2.84Å; I143-S146 PolarHBondContact O-N 3.36Å; I143-E147 HydrophobicContact CG2-CG 4.18Å; I143-E147 WeakPolarHBondContact O-CB 3.43Å; I143-E147 WeakPolarHBondContact O-CG 3.34Å; I143-E147 PolarHBondContact O-N 2.91Å |
| 144 | Y | 96.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 74.4 Ų | 74.4 | 4% | 0.035 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -54.9 | -50.9 | 178.7 | 170.3 | -106.8 | 0 | 0 | 0 | 112.4 | L96 V101 I140 R141 E147 L148 L198 K199 T202 | L96-Y144 HydrophobicContact CD1-CE1 4.5Å; L96-Y144 HydrophobicContact CD1-CE2 3.91Å; V101-Y144 HydrophobicContact CG1-CD1 3.94Å; V101-Y144 HydrophobicContact CG1-CG 4.13Å; I140-Y144 WeakPolarHBondContact O-CB 3.41Å; I140-Y144 PolarHBondContact O-N 2.9Å; R141-Y144 PolarHBondContact O-N 3.41Å; Y144-E147 PolarHBondContact O-N 3.04Å; Y144-L148 HydrophobicContact CE1-CD2 4.27Å; Y144-L148 VanDerWaalsContact O-CB 3.25Å; Y144-L148 WeakPolarHBondContact O-CB 3.42Å; Y144-L148 PolarHBondContact O-N 3.49Å; Y144-L198 HydrophobicContact CD2-CD2 4.21Å; Y144-L198 HydrophobicContact CD2-CG 4.03Å; Y144-L198 HydrophobicContact CE2-CD2 4.19Å; Y144-L198 HydrophobicContact CE2-CG 4.14Å; Y144-K199 HydrophobicContact CE2-CG 3.94Å; Y144-T202 HydrophobicContact CD2-CG2 3.99Å; Y144-T202 WeakPolarHBondContact CD2-OG1 3.38Å; Y144-T202 HydrophobicContact CG-CG2 4.08Å |
| 145 | H | 95.5 | Very high | 94.9 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.3 | -39.8 | -179.7 | -67.4 | 87.8 | 0 | 0 | 0 | 112.3 | V101 R141 Q142 I143 E147 L148 E149 | V101-H145 PolarHBondContact O-CE1 3.26Å; R141-H145 PolarHBondContact O-N 3.07Å; R141-H145 VanDerWaalsContact O-N 3.12Å; R141-H145 PolarHBondContact O-ND1 3.24Å; Q142-H145 PolarHBondContact O-N 2.65Å; I143-H145 PolarHBondContact O-N 2.84Å; H145-E147 PolarHBondContact O-N 3.43Å; H145-L148 PolarHBondContact O-N 3.13Å; H145-E149 WeakPolarHBondContact O-CB 3.24Å; H145-E149 PolarHBondContact O-N 3.32Å |
| 146 | S | 96.4 | Very high | 95.1 | Very high | 44 Ų | 44 | 68.8 Ų | 68.8 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -57.5 | -48.5 | 174.9 | 153.4 | 0 | 0 | 0 | 0 | 111.5 | Q142 I143 K150 | Q142-S146 VanDerWaalsContact O-CB 3.29Å; Q142-S146 WeakPolarHBondContact O-CB 3.36Å; Q142-S146 PolarHBondContact O-N 2.77Å; I143-S146 PolarHBondContact O-N 3.36Å; S146-K150 WeakPolarHBondContact O-CG 3.46Å; S146-K150 PolarHBondContact O-N 3.08Å |
| 147 | E | 95.9 | Very high | 95.3 | Very high | 55 Ų | 55 | 71.3 Ų | 71.3 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70.1 | -40.7 | -178.8 | -67 | -57.9 | 109.1 | 0 | 0 | 111.1 | I143 Y144 H145 E149 K150 Y151 L198 | I143-E147 HydrophobicContact CG2-CG 4.18Å; I143-E147 WeakPolarHBondContact O-CB 3.43Å; I143-E147 WeakPolarHBondContact O-CG 3.34Å; I143-E147 PolarHBondContact O-N 2.91Å; Y144-E147 PolarHBondContact O-N 3.04Å; H145-E147 PolarHBondContact O-N 3.43Å; E147-E149 PolarHBondContact O-N 2.97Å; E147-K150 PolarHBondContact O-N 2.77Å; E147-K150 IonicContact OE1-NZ 2.8Å; E147-K150 PolarHBondContact OE1-NZ 3Å; E147-Y151 HydrophobicContact CB-CD2 4.45Å; E147-Y151 HydrophobicContact CB-CE2 4.11Å; E147-Y151 WeakPolarHBondContact O-CD2 3.32Å; E147-Y151 PolarHBondContact O-N 3.39Å; E147-L198 HydrophobicContact CB-CD1 3.95Å; E147-L198 HydrophobicContact CB-CD2 4.19Å |
| 148 | L | 93.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 75.7 Ų | 75.7 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 176.5 | -175.3 | 66.5 | 0 | 0 | 0 | 111.5 | Y144 H145 K150 Y151 E152 Q195 L198 | Y144-L148 HydrophobicContact CE1-CD2 4.27Å; Y144-L148 VanDerWaalsContact O-CB 3.25Å; Y144-L148 WeakPolarHBondContact O-CB 3.42Å; Y144-L148 PolarHBondContact O-N 3.49Å; H145-L148 PolarHBondContact O-N 3.13Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 2.68Å; L148-Y151 PolarHBondContact O-N 2.84Å; L148-E152 HydrophobicContact CG-CG 4.47Å; L148-E152 WeakPolarHBondContact O-CG 3.24Å; L148-E152 PolarHBondContact O-N 2.9Å; L148-Q195 HydrophobicContact CD1-CG 4.14Å; L148-L198 HydrophobicContact CB-CD2 3.97Å; L148-L198 HydrophobicContact CD1-CD2 4.19Å |
| 149 | E | 95.2 | Very high | 95.6 | Very high | 133 Ų | 133 | 73.3 Ų | 73.3 | 62% | 0.621 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 178.9 | -175.2 | 172.1 | -155.1 | 0 | 0 | 112.1 | H145 E147 E152 Q153 | H145-E149 WeakPolarHBondContact O-CB 3.24Å; H145-E149 PolarHBondContact O-N 3.32Å; E147-E149 PolarHBondContact O-N 2.97Å; E149-E152 PolarHBondContact O-N 3.49Å; E149-Q153 WeakPolarHBondContact O-CB 3.44Å; E149-Q153 PolarHBondContact O-N 2.98Å |
| 150 | K | 95 | Very high | 95.7 | Very high | 118 Ų | 118 | 73.7 Ų | 73.7 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 174.4 | -69.7 | 170.6 | -167.1 | 171.8 | 0 | 111.8 | S146 E147 L148 Q153 A154 | S146-K150 WeakPolarHBondContact O-CG 3.46Å; S146-K150 PolarHBondContact O-N 3.08Å; E147-K150 PolarHBondContact O-N 2.77Å; E147-K150 IonicContact OE1-NZ 2.8Å; E147-K150 PolarHBondContact OE1-NZ 3Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 2.68Å; K150-Q153 PolarHBondContact O-N 2.92Å; K150-A154 WeakPolarHBondContact O-CB 3.46Å; K150-A154 PolarHBondContact O-N 3.34Å |
| 151 | Y | 94.5 | Very high | 95.7 | Very high | 86 Ų | 86 | 78.1 Ų | 78.1 | 34% | 0.337 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 179 | -70.1 | -57.7 | 0 | 0 | 0 | 112.2 | E147 L148 A154 C155 I194 L198 | E147-Y151 HydrophobicContact CB-CD2 4.45Å; E147-Y151 HydrophobicContact CB-CE2 4.11Å; E147-Y151 WeakPolarHBondContact O-CD2 3.32Å; E147-Y151 PolarHBondContact O-N 3.39Å; L148-Y151 PolarHBondContact O-N 2.84Å; Y151-A154 PolarHBondContact O-N 2.7Å; Y151-C155 VanDerWaalsContact O-CB 3.32Å; Y151-C155 WeakPolarHBondContact O-CB 3.42Å; Y151-C155 PolarHBondContact O-N 3.19Å; Y151-I194 HydrophobicContact CD1-CG2 3.78Å; Y151-I194 HydrophobicContact CD2-CG2 4.36Å; Y151-I194 HydrophobicContact CE1-CG2 3.79Å; Y151-I194 HydrophobicContact CE2-CG2 4.37Å; Y151-I194 HydrophobicContact CG-CG2 4.09Å; Y151-L198 HydrophobicContact CD2-CD2 3.92Å; Y151-L198 HydrophobicContact CE2-CD1 4.48Å; Y151-L198 HydrophobicContact CE2-CD2 4.1Å |
| 152 | E | 93.5 | Very high | 95.8 | Very high | 86 Ų | 86 | 74.8 Ų | 74.8 | 40% | 0.402 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.6 | -74 | -179.8 | -179.9 | 0 | 0 | 111.8 | L148 E149 C155 R156 | L148-E152 HydrophobicContact CG-CG 4.47Å; L148-E152 WeakPolarHBondContact O-CG 3.24Å; L148-E152 PolarHBondContact O-N 2.9Å; E149-E152 PolarHBondContact O-N 3.49Å; E152-C155 WeakPolarHBondContact O-CB 3.46Å; E152-C155 PolarHBondContact O-N 3.44Å; E152-R156 WeakPolarHBondContact O-CG 3.29Å; E152-R156 PolarHBondContact O-N 3.35Å; E152-R156 IonicContact OE2-NH1 3.13Å |
| 153 | Q | 96.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 175.6 | -176.3 | 61.8 | 19.5 | 0 | 0 | 111.3 | E149 K150 C155 R156 E157 | E149-Q153 WeakPolarHBondContact O-CB 3.44Å; E149-Q153 PolarHBondContact O-N 2.98Å; K150-Q153 PolarHBondContact O-N 2.92Å; Q153-C155 VanDerWaalsContact C-N 3.28Å; Q153-C155 PolarHBondContact O-N 2.75Å; Q153-R156 PolarHBondContact O-N 3.35Å; Q153-E157 WeakPolarHBondContact CG-OE1 3.37Å; Q153-E157 PolarHBondContact NE2-OE1 3.18Å; Q153-E157 WeakPolarHBondContact O-CG 3.34Å; Q153-E157 PolarHBondContact O-N 3.01Å |
| 154 | A | 95.1 | Very high | 95.7 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 36% | 0.355 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.1 | -38.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K150 Y151 F158 | K150-A154 WeakPolarHBondContact O-CB 3.46Å; K150-A154 PolarHBondContact O-N 3.34Å; Y151-A154 PolarHBondContact O-N 2.7Å; A154-F158 WeakPolarHBondContact O-CB 3.41Å; A154-F158 PolarHBondContact O-N 3.49Å |
| 155 | C | 95.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 73 Ų | 73 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.7 | -47.9 | 174.4 | -176.9 | 0 | 0 | 0 | 0 | 112 | Y151 E152 Q153 T159 F191 | Y151-C155 VanDerWaalsContact O-CB 3.32Å; Y151-C155 WeakPolarHBondContact O-CB 3.42Å; Y151-C155 PolarHBondContact O-N 3.19Å; E152-C155 WeakPolarHBondContact O-CB 3.46Å; E152-C155 PolarHBondContact O-N 3.44Å; Q153-C155 VanDerWaalsContact C-N 3.28Å; Q153-C155 PolarHBondContact O-N 2.75Å; C155-T159 WeakPolarHBondContact O-CB 3.34Å; C155-T159 PolarHBondContact O-N 3.49Å; C155-T159 PolarHBondContact O-OG1 2.84Å; C155-F191 HydrophobicContact CB-CB 4.44Å; C155-F191 HydrophobicContact CB-CD1 3.57Å; C155-F191 HydrophobicContact CB-CD2 3.8Å; C155-F191 HydrophobicContact CB-CE1 3.63Å; C155-F191 HydrophobicContact CB-CE2 3.86Å; C155-F191 HydrophobicContact CB-CG 3.67Å; C155-F191 HydrophobicContact CB-CZ 3.79Å; C155-F191 WeakPolarHBondContact SG-CD2 3.38Å; C155-F191 VanDerWaalsContact SG-CG 3.51Å |
| 156 | R | 95.5 | Very high | 95.5 | Very high | 119 Ų | 119 | 70 Ų | 70 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -47.7 | 177.6 | -73.3 | -172.2 | -65.7 | -95.3 | 4.6 | 111.7 | E152 Q153 T160 | E152-R156 WeakPolarHBondContact O-CG 3.29Å; E152-R156 PolarHBondContact O-N 3.35Å; E152-R156 IonicContact OE2-NH1 3.13Å; Q153-R156 PolarHBondContact O-N 3.35Å; R156-T160 VanDerWaalsContact O-CB 3.28Å; R156-T160 WeakPolarHBondContact O-CB 2.96Å; R156-T160 PolarHBondContact O-N 3.04Å; R156-T160 PolarHBondContact O-OG1 3.16Å |
| 157 | E | 97 | Very high | 95.3 | Very high | 114 Ų | 114 | 74.9 Ų | 74.9 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -48.6 | -179.8 | -73.3 | 175.7 | -171.8 | 0 | 0 | 111.6 | Q153 T160 H161 | Q153-E157 WeakPolarHBondContact CG-OE1 3.37Å; Q153-E157 PolarHBondContact NE2-OE1 3.18Å; Q153-E157 WeakPolarHBondContact O-CG 3.34Å; Q153-E157 PolarHBondContact O-N 3.01Å; E157-T160 PolarHBondContact O-N 3.28Å; E157-H161 WeakPolarHBondContact O-CB 3.36Å; E157-H161 PolarHBondContact O-N 2.87Å |
| 158 | F | 97.3 | Very high | 95 | Very high | 105 Ų | 105 | 77.9 Ų | 77.9 | 46% | 0.461 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 180 | -174.3 | -107.4 | 0 | 0 | 0 | 111.8 | A154 T160 H161 V162 I187 F191 | A154-F158 WeakPolarHBondContact O-CB 3.41Å; A154-F158 PolarHBondContact O-N 3.49Å; F158-T160 VanDerWaalsContact C-N 3.31Å; F158-T160 PolarHBondContact O-N 2.66Å; F158-H161 PolarHBondContact O-N 3.43Å; F158-V162 HydrophobicContact CD1-CG2 4.3Å; F158-V162 HydrophobicContact CD2-CG2 4.49Å; F158-V162 HydrophobicContact CE1-CG2 3.93Å; F158-V162 HydrophobicContact CE2-CG2 4.12Å; F158-V162 HydrophobicContact CZ-CG2 3.83Å; F158-V162 WeakPolarHBondContact O-CG2 3.46Å; F158-V162 PolarHBondContact O-N 2.92Å; F158-I187 HydrophobicContact CD1-CD1 3.93Å; F158-I187 HydrophobicContact CD1-CG1 4.2Å; F158-I187 HydrophobicContact CD1-CG2 3.77Å; F158-I187 HydrophobicContact CE1-CD1 3.66Å; F158-I187 HydrophobicContact CE1-CG1 3.8Å; F158-I187 HydrophobicContact CE1-CG2 4.18Å; F158-F191 HydrophobicContact CB-CZ 4.48Å; F158-F191 HydrophobicContact CD1-CE2 4.18Å |
| 159 | T | 96.5 | Very high | 94.8 | Very high | 19 Ų | 19 | 79.6 Ų | 79.6 | 12% | 0.117 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | C155 T163 V184 | C155-T159 WeakPolarHBondContact O-CB 3.34Å; C155-T159 PolarHBondContact O-N 3.49Å; C155-T159 PolarHBondContact O-OG1 2.84Å; T159-T163 VanDerWaalsContact O-CB 3.27Å; T159-T163 WeakPolarHBondContact O-CB 3.49Å; T159-T163 PolarHBondContact O-N 3.37Å; T159-T163 PolarHBondContact O-OG1 2.99Å; T159-V184 HydrophobicContact CG2-CG1 3.86Å; T159-V184 HydrophobicContact CG2-CG2 4.22Å |
| 160 | T | 96.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 75.5 Ų | 75.5 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.7 | -60.3 | 0 | 0 | 0 | 0 | 111 | R156 E157 F158 T163 N164 | R156-T160 VanDerWaalsContact O-CB 3.28Å; R156-T160 WeakPolarHBondContact O-CB 2.96Å; R156-T160 PolarHBondContact O-N 3.04Å; R156-T160 PolarHBondContact O-OG1 3.16Å; E157-T160 PolarHBondContact O-N 3.28Å; F158-T160 VanDerWaalsContact C-N 3.31Å; F158-T160 PolarHBondContact O-N 2.66Å; T160-T163 PolarHBondContact O-N 2.9Å; T160-N164 WeakPolarHBondContact O-CB 3.39Å; T160-N164 VanDerWaalsContact O-CG 3.23Å; T160-N164 PolarHBondContact O-N 2.89Å; T160-N164 PolarHBondContact O-ND2 2.88Å |
| 161 | H | 96.8 | Very high | 93.9 | Very high | 124 Ų | 124 | 77.6 Ų | 77.6 | 57% | 0.574 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.2 | -48.1 | 179.3 | -174.4 | 69 | 0 | 0 | 0 | 111.9 | E157 F158 T163 N164 L165 | E157-H161 WeakPolarHBondContact O-CB 3.36Å; E157-H161 PolarHBondContact O-N 2.87Å; F158-H161 PolarHBondContact O-N 3.43Å; H161-T163 PolarHBondContact O-N 3.38Å; H161-N164 PolarHBondContact O-N 3.39Å; H161-L165 WeakPolarHBondContact O-CB 3.42Å; H161-L165 PolarHBondContact O-N 3.5Å |
| 162 | V | 95.9 | Very high | 93.2 | Very high | 15 Ų | 15 | 78 Ų | 78 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | F158 N164 L165 L166 M183 I187 | F158-V162 HydrophobicContact CD1-CG2 4.3Å; F158-V162 HydrophobicContact CD2-CG2 4.49Å; F158-V162 HydrophobicContact CE1-CG2 3.93Å; F158-V162 HydrophobicContact CE2-CG2 4.12Å; F158-V162 HydrophobicContact CZ-CG2 3.83Å; F158-V162 WeakPolarHBondContact O-CG2 3.46Å; F158-V162 PolarHBondContact O-N 2.92Å; V162-N164 PolarHBondContact O-N 2.88Å; V162-L165 PolarHBondContact O-N 3.25Å; V162-L166 HydrophobicContact CG1-CD1 3.8Å; V162-L166 HydrophobicContact CG1-CG 4.29Å; V162-L166 WeakPolarHBondContact O-CB 3.35Å; V162-L166 VanDerWaalsContact O-CG 3.29Å; V162-L166 WeakPolarHBondContact O-CG 3.43Å; V162-L166 PolarHBondContact O-N 3.45Å; V162-M183 HydrophobicContact CG1-CE 3.76Å; V162-I187 HydrophobicContact CB-CD1 3.97Å; V162-I187 HydrophobicContact CG1-CD1 3.91Å; V162-I187 HydrophobicContact CG2-CD1 3.91Å |
| 163 | T | 94.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 79.4 Ų | 79.4 | 14% | 0.141 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 178.6 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | T159 T160 H161 L166 R167 M180 | T159-T163 VanDerWaalsContact O-CB 3.27Å; T159-T163 WeakPolarHBondContact O-CB 3.49Å; T159-T163 PolarHBondContact O-N 3.37Å; T159-T163 PolarHBondContact O-OG1 2.99Å; T160-T163 PolarHBondContact O-N 2.9Å; H161-T163 PolarHBondContact O-N 3.38Å; T163-L166 PolarHBondContact O-N 2.85Å; T163-R167 WeakPolarHBondContact O-CB 3.43Å; T163-R167 VanDerWaalsContact O-CG 3.29Å; T163-R167 WeakPolarHBondContact O-CG 3.39Å; T163-R167 PolarHBondContact O-N 3.1Å; T163-M180 HydrophobicContact CG2-SD 3.94Å |
| 164 | N | 95.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 77.2 Ų | 77.2 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.4 | -71.5 | -19.5 | 0 | 0 | 0 | 111.7 | T160 H161 V162 L166 R167 E168 | T160-N164 WeakPolarHBondContact O-CB 3.39Å; T160-N164 VanDerWaalsContact O-CG 3.23Å; T160-N164 PolarHBondContact O-N 2.89Å; T160-N164 PolarHBondContact O-ND2 2.88Å; H161-N164 PolarHBondContact O-N 3.39Å; V162-N164 PolarHBondContact O-N 2.88Å; N164-L166 PolarHBondContact O-N 2.96Å; N164-R167 PolarHBondContact O-N 3.09Å; N164-E168 PolarHBondContact O-N 3.28Å |
| 165 | L | 94.8 | Very high | 91.6 | Very high | 89 Ų | 89 | 76 Ų | 76 | 47% | 0.466 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 176.2 | 179.3 | 63.6 | 0 | 0 | 0 | 111.6 | H161 V162 R167 E168 Q169 | H161-L165 WeakPolarHBondContact O-CB 3.42Å; H161-L165 PolarHBondContact O-N 3.5Å; V162-L165 PolarHBondContact O-N 3.25Å; L165-R167 PolarHBondContact O-N 3.34Å; L165-E168 PolarHBondContact O-N 3.21Å; L165-Q169 WeakPolarHBondContact O-CG 3.34Å; L165-Q169 PolarHBondContact O-N 3.39Å |
| 166 | L | 93 | Very high | 91.1 | Very high | 11 Ų | 11 | 76.3 Ų | 76.3 | 6% | 0.058 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 179 | -70.1 | 172.2 | 0 | 0 | 0 | 112.3 | V162 T163 N164 E168 Q169 S170 M180 M183 | V162-L166 HydrophobicContact CG1-CD1 3.8Å; V162-L166 HydrophobicContact CG1-CG 4.29Å; V162-L166 WeakPolarHBondContact O-CB 3.35Å; V162-L166 VanDerWaalsContact O-CG 3.29Å; V162-L166 WeakPolarHBondContact O-CG 3.43Å; V162-L166 PolarHBondContact O-N 3.45Å; T163-L166 PolarHBondContact O-N 2.85Å; N164-L166 PolarHBondContact O-N 2.96Å; L166-E168 VanDerWaalsContact C-N 3.35Å; L166-Q169 PolarHBondContact O-N 3.11Å; L166-S170 WeakPolarHBondContact O-CB 3.21Å; L166-S170 PolarHBondContact O-N 3.2Å; L166-M180 HydrophobicContact CB-CG 4.34Å; L166-M180 HydrophobicContact CD1-CB 4.19Å; L166-M180 HydrophobicContact CD1-CG 3.96Å; L166-M183 HydrophobicContact CD1-CB 4.11Å; L166-M183 HydrophobicContact CD1-CE 3.85Å; L166-M183 HydrophobicContact CD1-CG 4.42Å; L166-M183 HydrophobicContact CD1-SD 3.61Å; L166-M183 HydrophobicContact CD2-CE 4.16Å; L166-M183 HydrophobicContact CD2-SD 3.72Å; L166-M183 HydrophobicContact CG-CE 4.36Å; L166-M183 HydrophobicContact CG-SD 4.25Å |
| 167 | R | 91.1 | Very high | 90.6 | Very high | 147 Ų | 147 | 74.4 Ų | 74.4 | 56% | 0.555 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 172.1 | -76.7 | 176.8 | 177.9 | -174.3 | -0.5 | 112.2 | T163 N164 L165 S170 M180 | T163-R167 WeakPolarHBondContact O-CB 3.43Å; T163-R167 VanDerWaalsContact O-CG 3.29Å; T163-R167 WeakPolarHBondContact O-CG 3.39Å; T163-R167 PolarHBondContact O-N 3.1Å; N164-R167 PolarHBondContact O-N 3.09Å; L165-R167 PolarHBondContact O-N 3.34Å; R167-S170 PolarHBondContact O-N 3.26Å; R167-S170 PolarHBondContact O-OG 2.98Å; R167-M180 HydrophobicContact CG-SD 4.11Å |
| 168 | E | 90.6 | Very high | 90 | Very high | 117 Ų | 117 | 77.3 Ų | 77.3 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -71.3 | -39.5 | 177.3 | -162.9 | 57.2 | -153.9 | 0 | 0 | 111.1 | N164 L165 L166 S170 R171 | N164-E168 PolarHBondContact O-N 3.28Å; L165-E168 PolarHBondContact O-N 3.21Å; L166-E168 VanDerWaalsContact C-N 3.35Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 2.77Å; E168-R171 WeakPolarHBondContact O-CB 3.39Å; E168-R171 PolarHBondContact O-N 3.25Å; E168-R171 VanDerWaalsContact O-N 3.17Å; E168-R171 WeakPolarHBondContact OE1-CD 3.25Å; E168-R171 IonicContact OE1-NE 2.63Å; E168-R171 VanDerWaalsContact OE2-CD 3.26Å; E168-R171 WeakPolarHBondContact OE2-CD 2.97Å |
| 169 | Q | 88.8 | Confident | 89.4 | Confident | 62 Ų | 62 | 75 Ų | 75 | 29% | 0.29 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 172.4 | -72.5 | -160.7 | -6.5 | 0 | 0 | 112.6 | L165 L166 R171 V172 R173 V175 | L165-Q169 WeakPolarHBondContact O-CG 3.34Å; L165-Q169 PolarHBondContact O-N 3.39Å; L166-Q169 PolarHBondContact O-N 3.11Å; Q169-R171 PolarHBondContact O-N 3.37Å; Q169-R171 VanDerWaalsContact O-N 3.07Å; Q169-V172 VanDerWaalsContact O-CG2 3.29Å; Q169-V172 WeakPolarHBondContact O-CG2 3.32Å; Q169-V172 PolarHBondContact O-N 2.96Å; Q169-R173 HydrophobicContact CB-CG 4.42Å; Q169-R173 WeakPolarHBondContact O-CG 3.5Å; Q169-R173 PolarHBondContact O-N 2.95Å; Q169-V175 HydrophobicContact CB-CG2 4.29Å |
| 170 | S | 86.6 | Confident | 89 | Confident | 48 Ų | 48 | 76 Ų | 76 | 34% | 0.336 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.5 | -13.2 | 178.7 | 80.2 | 0 | 0 | 0 | 0 | 113.2 | F62 L166 R167 E168 R173 | F62-S170 WeakPolarHBondContact CE1-O 3.44Å; L166-S170 WeakPolarHBondContact O-CB 3.21Å; L166-S170 PolarHBondContact O-N 3.2Å; R167-S170 PolarHBondContact O-N 3.26Å; R167-S170 PolarHBondContact O-OG 2.98Å; E168-S170 VanDerWaalsContact C-N 3.3Å; E168-S170 PolarHBondContact O-N 2.77Å; S170-R173 WeakPolarHBondContact CA-O 3.44Å |
| 171 | R | 84.4 | Confident | 88.7 | Confident | 161 Ų | 161 | 78.4 Ų | 78.4 | 61% | 0.608 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -77.9 | -28.7 | 173.8 | -58.6 | 174.1 | 70.1 | 98.8 | 0.4 | 112.8 | K58 E168 Q169 | K58-R171 PolarHBondContact NZ-O 3.11Å; E168-R171 WeakPolarHBondContact O-CB 3.39Å; E168-R171 PolarHBondContact O-N 3.25Å; E168-R171 VanDerWaalsContact O-N 3.17Å; E168-R171 WeakPolarHBondContact OE1-CD 3.25Å; E168-R171 IonicContact OE1-NE 2.63Å; E168-R171 VanDerWaalsContact OE2-CD 3.26Å; E168-R171 WeakPolarHBondContact OE2-CD 2.97Å; Q169-R171 PolarHBondContact O-N 3.37Å; Q169-R171 VanDerWaalsContact O-N 3.07Å |
| 172 | V | 80.4 | Confident | 88.3 | Confident | 96 Ų | 96 | 75 Ų | 75 | 58% | 0.582 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -112.9 | -18.1 | -170.8 | -64 | 0 | 0 | 0 | 0 | 113.9 | Q169 | Q169-V172 VanDerWaalsContact O-CG2 3.29Å; Q169-V172 WeakPolarHBondContact O-CG2 3.32Å; Q169-V172 PolarHBondContact O-N 2.96Å |
| 173 | R | 84.6 | Confident | 88.1 | Confident | 114 Ų | 114 | 77.1 Ų | 77.1 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -146 | 154.9 | 174.3 | 59.6 | 178.5 | -114.2 | -171.8 | -3.8 | 111.8 | F62 Q169 S170 V175 | F62-R173 VanDerWaalsContact CE1-O 3.22Å; F62-R173 WeakPolarHBondContact CE1-O 3.43Å; Q169-R173 HydrophobicContact CB-CG 4.42Å; Q169-R173 WeakPolarHBondContact O-CG 3.5Å; Q169-R173 PolarHBondContact O-N 2.95Å; S170-R173 WeakPolarHBondContact CA-O 3.44Å; R173-V175 HydrophobicContact CG-CG2 4.09Å; R173-V175 PolarHBondContact O-N 3.48Å |
| 174 | P | 81.8 | Confident | 88 | Confident | 34 Ų | 34 | 77.4 Ų | 77.4 | 22% | 0.221 | 37% | 0.372 | C | S | . | . | trans | -61.9 | 109.5 | 175.9 | -21.1 | 32.8 | 0 | 0 | 0 | 111.7 | F62 L65 K69 | F62-P174 HydrophobicContact CD1-CB 4.47Å; F62-P174 HydrophobicContact CE1-CB 4.47Å; F62-P174 HydrophobicContact CE1-CG 4.38Å; F62-P174 HydrophobicContact CZ-CG 4.48Å; L65-P174 HydrophobicContact CB-CB 3.93Å; L65-P174 HydrophobicContact CB-CG 3.66Å; L65-P174 HydrophobicContact CD1-CG 3.81Å; L65-P174 HydrophobicContact CG-CG 4.37Å; K69-P174 PolarHBondContact NZ-O 3.43Å | ||
| 175 | V | 85.6 | Confident | 87.7 | Confident | 16 Ų | 16 | 75.3 Ų | 75.3 | 10% | 0.097 | 37% | 0.371 | C | S | . | . | trans | -123.6 | 123 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 106.7 | Q169 R173 | Q169-V175 HydrophobicContact CB-CG2 4.29Å; R173-V175 HydrophobicContact CG-CG2 4.09Å; R173-V175 PolarHBondContact O-N 3.48Å | ||
| 176 | S | 85 | Confident | 87.5 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 19% | 0.189 | 37% | 0.371 | C | S | . | . | trans | -83.4 | 146.5 | -179.3 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | R178 E179 M180 | S176-R178 PolarHBondContact O-N 3.26Å; S176-R178 PolarHBondContact OG-N 3.45Å; S176-E179 PolarHBondContact N-OE2 3Å; S176-E179 WeakPolarHBondContact O-CB 3.44Å; S176-E179 PolarHBondContact O-N 3.38Å; S176-M180 PolarHBondContact O-N 3.45Å | ||
| 177 | S | 85.3 | Confident | 87.5 | Confident | 78 Ų | 78 | 76 Ų | 76 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.5 | -36.7 | 174 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | E179 M180 E181 | S177-E179 VanDerWaalsContact C-N 3.31Å; S177-E179 PolarHBondContact O-N 3.41Å; S177-M180 WeakPolarHBondContact O-CB 3.42Å; S177-M180 PolarHBondContact O-N 3.24Å; S177-E181 WeakPolarHBondContact O-CG 3.47Å; S177-E181 PolarHBondContact O-N 3.4Å |
| 178 | R | 84.2 | Confident | 87.6 | Confident | 176 Ų | 176 | 73.2 Ų | 73.2 | 66% | 0.664 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.8 | -33.6 | 176.5 | -66.8 | -174 | 179.8 | -138.5 | -0.3 | 113.3 | S176 H182 | S176-R178 PolarHBondContact O-N 3.26Å; S176-R178 PolarHBondContact OG-N 3.45Å; R178-H182 VanDerWaalsContact O-CB 3.31Å; R178-H182 WeakPolarHBondContact O-CB 3.35Å; R178-H182 PolarHBondContact O-N 3.22Å |
| 179 | E | 85.1 | Confident | 87.6 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 177.2 | -179.3 | -178.2 | -177.8 | 0 | 0 | 110.6 | K69 S176 S177 H182 M183 | K69-E179 WeakPolarHBondContact CE-OE2 3.39Å; K69-E179 IonicContact NZ-OE1 2.98Å; K69-E179 PolarHBondContact NZ-OE1 3.19Å; K69-E179 IonicContact NZ-OE2 2.76Å; K69-E179 PolarHBondContact NZ-OE2 2.9Å; S176-E179 PolarHBondContact N-OE2 3Å; S176-E179 WeakPolarHBondContact O-CB 3.44Å; S176-E179 PolarHBondContact O-N 3.38Å; S177-E179 VanDerWaalsContact C-N 3.31Å; S177-E179 PolarHBondContact O-N 3.41Å; E179-H182 PolarHBondContact O-N 3.19Å; E179-M183 WeakPolarHBondContact O-CG 3.39Å; E179-M183 PolarHBondContact O-N 3.45Å |
| 180 | M | 88.7 | Confident | 87.8 | Confident | 40 Ų | 40 | 74.1 Ų | 74.1 | 20% | 0.197 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.3 | -179.7 | 177 | 59.4 | 0 | 0 | 111.4 | T163 L166 R167 S176 S177 H182 M183 V184 | T163-M180 HydrophobicContact CG2-SD 3.94Å; L166-M180 HydrophobicContact CB-CG 4.34Å; L166-M180 HydrophobicContact CD1-CB 4.19Å; L166-M180 HydrophobicContact CD1-CG 3.96Å; R167-M180 HydrophobicContact CG-SD 4.11Å; S176-M180 PolarHBondContact O-N 3.45Å; S177-M180 WeakPolarHBondContact O-CB 3.42Å; S177-M180 PolarHBondContact O-N 3.24Å; M180-H182 PolarHBondContact O-N 2.94Å; M180-M183 PolarHBondContact O-N 3.5Å; M180-V184 WeakPolarHBondContact O-CG2 3.35Å; M180-V184 PolarHBondContact O-N 2.72Å |
| 181 | E | 89.7 | Confident | 88.1 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 59% | 0.593 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.1 | -45.3 | 174.5 | -73.2 | 164.3 | -166.7 | 0 | 0 | 111.7 | S177 M183 V184 G185 | S177-E181 WeakPolarHBondContact O-CG 3.47Å; S177-E181 PolarHBondContact O-N 3.4Å; E181-M183 PolarHBondContact O-N 3.39Å; E181-V184 PolarHBondContact O-N 3.04Å; E181-G185 PolarHBondContact O-N 2.79Å |
| 182 | H | 88.9 | Confident | 88.4 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.5 | 178.7 | -95.7 | 0 | 0 | 0 | 112.2 | R178 E179 M180 V184 G185 M186 | R178-H182 VanDerWaalsContact O-CB 3.31Å; R178-H182 WeakPolarHBondContact O-CB 3.35Å; R178-H182 PolarHBondContact O-N 3.22Å; E179-H182 PolarHBondContact O-N 3.19Å; M180-H182 PolarHBondContact O-N 2.94Å; H182-V184 PolarHBondContact O-N 3.02Å; H182-G185 PolarHBondContact O-N 2.96Å; H182-M186 VanDerWaalsContact CE1-SD 3.56Å; H182-M186 WeakPolarHBondContact O-CG 3.35Å; H182-M186 PolarHBondContact O-N 3.16Å |
| 183 | M | 90.2 | Very high | 89 | Confident | 60 Ų | 60 | 66.5 Ų | 66.5 | 30% | 0.296 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 174.4 | -77.9 | -171.2 | 57.5 | 0 | 0 | 112 | V162 L166 E179 M180 E181 G185 M186 I187 | V162-M183 HydrophobicContact CG1-CE 3.76Å; L166-M183 HydrophobicContact CD1-CB 4.11Å; L166-M183 HydrophobicContact CD1-CE 3.85Å; L166-M183 HydrophobicContact CD1-CG 4.42Å; L166-M183 HydrophobicContact CD1-SD 3.61Å; L166-M183 HydrophobicContact CD2-CE 4.16Å; L166-M183 HydrophobicContact CD2-SD 3.72Å; L166-M183 HydrophobicContact CG-CE 4.36Å; L166-M183 HydrophobicContact CG-SD 4.25Å; E179-M183 WeakPolarHBondContact O-CG 3.39Å; E179-M183 PolarHBondContact O-N 3.45Å; M180-M183 PolarHBondContact O-N 3.5Å; E181-M183 PolarHBondContact O-N 3.39Å; M183-G185 VanDerWaalsContact C-N 3.3Å; M183-G185 PolarHBondContact O-N 2.97Å; M183-M186 HydrophobicContact CB-CE 4.42Å; M183-M186 HydrophobicContact CG-CE 3.99Å; M183-M186 PolarHBondContact O-N 3.04Å; M183-I187 VanDerWaalsContact O-CG1 3.25Å; M183-I187 WeakPolarHBondContact O-CG1 3.49Å; M183-I187 PolarHBondContact O-N 3.26Å; M183-I187 VanDerWaalsContact O-N 3.11Å |
| 184 | V | 93.3 | Very high | 89.4 | Confident | 29 Ų | 29 | 63.9 Ų | 63.9 | 18% | 0.176 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | T159 M180 E181 H182 I187 H188 | T159-V184 HydrophobicContact CG2-CG1 3.86Å; T159-V184 HydrophobicContact CG2-CG2 4.22Å; M180-V184 WeakPolarHBondContact O-CG2 3.35Å; M180-V184 PolarHBondContact O-N 2.72Å; E181-V184 PolarHBondContact O-N 3.04Å; H182-V184 PolarHBondContact O-N 3.02Å; V184-I187 WeakPolarHBondContact O-CB 3.4Å; V184-I187 PolarHBondContact O-N 2.76Å; V184-H188 WeakPolarHBondContact CG1-CE1 3.27Å; V184-H188 WeakPolarHBondContact CG1-ND1 3.39Å; V184-H188 PolarHBondContact O-N 3.07Å; V184-H188 PolarHBondContact O-ND1 3.32Å |
| 185 | G | 90.6 | Very high | 89.9 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E181 H182 M183 I187 H188 G189 | E181-G185 PolarHBondContact O-N 2.79Å; H182-G185 PolarHBondContact O-N 2.96Å; M183-G185 VanDerWaalsContact C-N 3.3Å; M183-G185 PolarHBondContact O-N 2.97Å; G185-I187 VanDerWaalsContact C-N 3.27Å; G185-I187 PolarHBondContact O-N 2.91Å; G185-H188 PolarHBondContact O-N 3.46Å; G185-G189 PolarHBondContact O-N 2.87Å |
| 186 | M | 90.5 | Very high | 90.2 | Very high | 95 Ų | 95 | 67.4 Ų | 67.4 | 47% | 0.468 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 174.3 | -70.9 | -170.1 | -65.7 | 0 | 0 | 111.8 | H182 M183 G189 K190 | H182-M186 VanDerWaalsContact CE1-SD 3.56Å; H182-M186 WeakPolarHBondContact O-CG 3.35Å; H182-M186 PolarHBondContact O-N 3.16Å; M183-M186 HydrophobicContact CB-CE 4.42Å; M183-M186 HydrophobicContact CG-CE 3.99Å; M183-M186 PolarHBondContact O-N 3.04Å; M186-G189 PolarHBondContact O-N 3.37Å; M186-K190 WeakPolarHBondContact O-CG 3.38Å; M186-K190 PolarHBondContact O-N 3.49Å |
| 187 | I | 92.6 | Very high | 90.7 | Very high | 18 Ų | 18 | 72.1 Ų | 72.1 | 9% | 0.092 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.3 | -53.1 | 176.7 | -67.2 | 171.5 | 0 | 0 | 0 | 110.1 | F158 V162 M183 V184 G185 G189 K190 F191 | F158-I187 HydrophobicContact CD1-CD1 3.93Å; F158-I187 HydrophobicContact CD1-CG1 4.2Å; F158-I187 HydrophobicContact CD1-CG2 3.77Å; F158-I187 HydrophobicContact CE1-CD1 3.66Å; F158-I187 HydrophobicContact CE1-CG1 3.8Å; F158-I187 HydrophobicContact CE1-CG2 4.18Å; V162-I187 HydrophobicContact CB-CD1 3.97Å; V162-I187 HydrophobicContact CG1-CD1 3.91Å; V162-I187 HydrophobicContact CG2-CD1 3.91Å; M183-I187 VanDerWaalsContact O-CG1 3.25Å; M183-I187 WeakPolarHBondContact O-CG1 3.49Å; M183-I187 PolarHBondContact O-N 3.26Å; M183-I187 VanDerWaalsContact O-N 3.11Å; V184-I187 WeakPolarHBondContact O-CB 3.4Å; V184-I187 PolarHBondContact O-N 2.76Å; G185-I187 VanDerWaalsContact C-N 3.27Å; G185-I187 PolarHBondContact O-N 2.91Å; I187-G189 VanDerWaalsContact C-N 3.27Å; I187-G189 PolarHBondContact O-N 2.98Å; I187-K190 PolarHBondContact O-N 3.48Å; I187-K190 VanDerWaalsContact O-N 3.08Å; I187-F191 HydrophobicContact CG2-CD2 3.58Å; I187-F191 HydrophobicContact CG2-CE2 3.51Å; I187-F191 VanDerWaalsContact O-CD2 3.24Å; I187-F191 WeakPolarHBondContact O-CD2 3.44Å; I187-F191 PolarHBondContact O-N 3.05Å |
| 188 | H | 92.5 | Very high | 91.1 | Very high | 89 Ų | 89 | 69.3 Ų | 69.3 | 41% | 0.412 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.8 | -38.1 | 177.8 | -73 | 88 | 0 | 0 | 0 | 112.4 | V184 G185 K190 F191 T192 | V184-H188 WeakPolarHBondContact CG1-CE1 3.27Å; V184-H188 WeakPolarHBondContact CG1-ND1 3.39Å; V184-H188 PolarHBondContact O-N 3.07Å; V184-H188 PolarHBondContact O-ND1 3.32Å; G185-H188 PolarHBondContact O-N 3.46Å; H188-K190 PolarHBondContact O-N 3.29Å; H188-F191 PolarHBondContact O-N 3.48Å; H188-T192 WeakPolarHBondContact O-CB 3.45Å; H188-T192 PolarHBondContact O-N 3.35Å; H188-T192 PolarHBondContact O-OG1 3.28Å |
| 189 | G | 90.9 | Very high | 91.7 | Very high | 42 Ų | 42 | 61.2 Ų | 61.2 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G185 M186 I187 T192 A193 | G185-G189 PolarHBondContact O-N 2.87Å; M186-G189 PolarHBondContact O-N 3.37Å; I187-G189 VanDerWaalsContact C-N 3.27Å; I187-G189 PolarHBondContact O-N 2.98Å; G189-T192 PolarHBondContact O-N 2.98Å; G189-A193 PolarHBondContact O-N 3.33Å; G189-A193 VanDerWaalsContact O-N 3.13Å |
| 190 | K | 92 | Very high | 92.2 | Very high | 156 Ų | 156 | 61.6 Ų | 61.6 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 175.3 | -64.1 | -61.4 | 177.3 | -174.6 | 0 | 112.1 | M186 I187 H188 T192 A193 I194 | M186-K190 WeakPolarHBondContact O-CG 3.38Å; M186-K190 PolarHBondContact O-N 3.49Å; I187-K190 PolarHBondContact O-N 3.48Å; I187-K190 VanDerWaalsContact O-N 3.08Å; H188-K190 PolarHBondContact O-N 3.29Å; K190-T192 VanDerWaalsContact C-N 3.34Å; K190-T192 PolarHBondContact O-N 3.42Å; K190-A193 WeakPolarHBondContact O-CB 3.32Å; K190-A193 PolarHBondContact O-N 3.18Å; K190-I194 WeakPolarHBondContact O-CG1 3.29Å; K190-I194 PolarHBondContact O-N 3.28Å; K190-I194 VanDerWaalsContact O-N 3.1Å |
| 191 | F | 93.6 | Very high | 92.5 | Very high | 40 Ų | 40 | 62.1 Ų | 62.1 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.3 | -35.8 | 176.5 | -81 | -74.6 | 0 | 0 | 0 | 112.7 | C155 F158 I187 H188 A193 I194 Q195 | C155-F191 HydrophobicContact CB-CB 4.44Å; C155-F191 HydrophobicContact CB-CD1 3.57Å; C155-F191 HydrophobicContact CB-CD2 3.8Å; C155-F191 HydrophobicContact CB-CE1 3.63Å; C155-F191 HydrophobicContact CB-CE2 3.86Å; C155-F191 HydrophobicContact CB-CG 3.67Å; C155-F191 HydrophobicContact CB-CZ 3.79Å; C155-F191 WeakPolarHBondContact SG-CD2 3.38Å; C155-F191 VanDerWaalsContact SG-CG 3.51Å; F158-F191 HydrophobicContact CB-CZ 4.48Å; F158-F191 HydrophobicContact CD1-CE2 4.18Å; I187-F191 HydrophobicContact CG2-CD2 3.58Å; I187-F191 HydrophobicContact CG2-CE2 3.51Å; I187-F191 VanDerWaalsContact O-CD2 3.24Å; I187-F191 WeakPolarHBondContact O-CD2 3.44Å; I187-F191 PolarHBondContact O-N 3.05Å; H188-F191 PolarHBondContact O-N 3.48Å; F191-A193 VanDerWaalsContact C-N 3.3Å; F191-A193 PolarHBondContact O-N 3.3Å; F191-I194 HydrophobicContact CD1-CD1 4.24Å; F191-I194 HydrophobicContact CE1-CD1 4.49Å; F191-I194 PolarHBondContact O-N 3.15Å; F191-Q195 WeakPolarHBondContact O-CB 3.36Å; F191-Q195 PolarHBondContact O-N 3.37Å |
| 192 | T | 91.5 | Very high | 92.8 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | L89 H188 G189 K190 Q195 R196 | L89-T192 HydrophobicContact CD2-CG2 4.1Å; H188-T192 WeakPolarHBondContact O-CB 3.45Å; H188-T192 PolarHBondContact O-N 3.35Å; H188-T192 PolarHBondContact O-OG1 3.28Å; G189-T192 PolarHBondContact O-N 2.98Å; K190-T192 VanDerWaalsContact C-N 3.34Å; K190-T192 PolarHBondContact O-N 3.42Å; T192-Q195 PolarHBondContact O-N 2.87Å; T192-R196 PolarHBondContact O-N 3.12Å |
| 193 | A | 91.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 44% | 0.438 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G189 K190 F191 R196 Q197 | G189-A193 PolarHBondContact O-N 3.33Å; G189-A193 VanDerWaalsContact O-N 3.13Å; K190-A193 WeakPolarHBondContact O-CB 3.32Å; K190-A193 PolarHBondContact O-N 3.18Å; F191-A193 VanDerWaalsContact C-N 3.3Å; F191-A193 PolarHBondContact O-N 3.3Å; A193-R196 WeakPolarHBondContact O-CB 3.43Å; A193-R196 PolarHBondContact O-N 3.09Å; A193-Q197 PolarHBondContact O-N 2.91Å; A193-Q197 VanDerWaalsContact O-N 3.09Å |
| 194 | I | 93.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 56.3 Ų | 56.3 | 30% | 0.303 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 174.7 | -65 | 168.2 | 0 | 0 | 0 | 110.5 | Y151 K190 F191 R196 Q197 L198 | Y151-I194 HydrophobicContact CD1-CG2 3.78Å; Y151-I194 HydrophobicContact CD2-CG2 4.36Å; Y151-I194 HydrophobicContact CE1-CG2 3.79Å; Y151-I194 HydrophobicContact CE2-CG2 4.37Å; Y151-I194 HydrophobicContact CG-CG2 4.09Å; K190-I194 WeakPolarHBondContact O-CG1 3.29Å; K190-I194 PolarHBondContact O-N 3.28Å; K190-I194 VanDerWaalsContact O-N 3.1Å; F191-I194 HydrophobicContact CD1-CD1 4.24Å; F191-I194 HydrophobicContact CE1-CD1 4.49Å; F191-I194 PolarHBondContact O-N 3.15Å; I194-R196 VanDerWaalsContact C-N 3.3Å; I194-R196 PolarHBondContact O-N 3.41Å; I194-Q197 WeakPolarHBondContact O-CB 3.29Å; I194-Q197 PolarHBondContact O-N 3.12Å; I194-Q197 VanDerWaalsContact O-N 3.11Å; I194-L198 PolarHBondContact O-N 3.41Å |
| 195 | Q | 92.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 177.7 | -174.9 | 179.3 | -6.6 | 0 | 0 | 111.5 | L148 F191 T192 Q197 L198 K199 | L148-Q195 HydrophobicContact CD1-CG 4.14Å; F191-Q195 WeakPolarHBondContact O-CB 3.36Å; F191-Q195 PolarHBondContact O-N 3.37Å; T192-Q195 PolarHBondContact O-N 2.87Å; Q195-Q197 PolarHBondContact O-N 3.15Å; Q195-L198 PolarHBondContact O-N 3.12Å; Q195-K199 HydrophobicContact CG-CD 4.49Å; Q195-K199 VanDerWaalsContact NE2-NZ 3.14Å; Q195-K199 WeakPolarHBondContact O-CG 3.3Å; Q195-K199 PolarHBondContact O-N 3.22Å |
| 196 | R | 92.9 | Very high | 93.6 | Very high | 62 Ų | 62 | 54.2 Ų | 54.2 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -48.1 | 172.7 | -174.8 | -158.8 | -55.8 | -79.3 | 18.7 | 111.4 | D86 L89 L92 T192 A193 I194 L198 K199 Q200 | D86-R196 VanDerWaalsContact CG-CZ 3.41Å; D86-R196 IonicContact OD1-CZ 3.68Å; D86-R196 IonicContact OD1-NH1 2.76Å; D86-R196 PolarHBondContact OD1-NH1 2.91Å; D86-R196 IonicContact OD1-NH2 2.63Å; D86-R196 PolarHBondContact OD1-NH2 3.33Å; D86-R196 IonicContact OD2-CZ 3.75Å; D86-R196 IonicContact OD2-NE 3.24Å; D86-R196 IonicContact OD2-NH1 2.79Å; D86-R196 PolarHBondContact OD2-NH1 3.46Å; D86-R196 IonicContact OD2-NH2 3.95Å; D86-R196 PolarHBondContact OD2-NH2 2.85Å; L89-R196 HydrophobicContact CD1-CB 3.97Å; L89-R196 HydrophobicContact CD1-CG 4.39Å; L92-R196 HydrophobicContact CD1-CG 4Å; T192-R196 PolarHBondContact O-N 3.12Å; A193-R196 WeakPolarHBondContact O-CB 3.43Å; A193-R196 PolarHBondContact O-N 3.09Å; I194-R196 VanDerWaalsContact C-N 3.3Å; I194-R196 PolarHBondContact O-N 3.41Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 2.75Å; R196-K199 PolarHBondContact O-N 3.4Å; R196-Q200 WeakPolarHBondContact O-CB 3.36Å; R196-Q200 PolarHBondContact O-N 3.35Å |
| 197 | Q | 94.7 | Very high | 93.6 | Very high | 126 Ų | 126 | 53.2 Ų | 53.2 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | -179.1 | -172.5 | 175 | 3.6 | 0 | 0 | 111.8 | A193 I194 Q195 Q200 S201 | A193-Q197 PolarHBondContact O-N 2.91Å; A193-Q197 VanDerWaalsContact O-N 3.09Å; I194-Q197 WeakPolarHBondContact O-CB 3.29Å; I194-Q197 PolarHBondContact O-N 3.12Å; I194-Q197 VanDerWaalsContact O-N 3.11Å; Q195-Q197 PolarHBondContact O-N 3.15Å; Q197-Q200 PolarHBondContact O-N 3.41Å; Q197-S201 PolarHBondContact O-N 2.98Å; Q197-S201 PolarHBondContact O-OG 3.36Å |
| 198 | L | 95.1 | Very high | 93.6 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 174.5 | 177.6 | 63.9 | 0 | 0 | 0 | 111.9 | Y144 E147 L148 Y151 I194 Q195 R196 Q200 S201 T202 | Y144-L198 HydrophobicContact CD2-CD2 4.21Å; Y144-L198 HydrophobicContact CD2-CG 4.03Å; Y144-L198 HydrophobicContact CE2-CD2 4.19Å; Y144-L198 HydrophobicContact CE2-CG 4.14Å; E147-L198 HydrophobicContact CB-CD1 3.95Å; E147-L198 HydrophobicContact CB-CD2 4.19Å; L148-L198 HydrophobicContact CB-CD2 3.97Å; L148-L198 HydrophobicContact CD1-CD2 4.19Å; Y151-L198 HydrophobicContact CD2-CD2 3.92Å; Y151-L198 HydrophobicContact CE2-CD1 4.48Å; Y151-L198 HydrophobicContact CE2-CD2 4.1Å; I194-L198 PolarHBondContact O-N 3.41Å; Q195-L198 PolarHBondContact O-N 3.12Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 2.75Å; L198-Q200 VanDerWaalsContact C-N 3.35Å; L198-Q200 PolarHBondContact O-N 2.96Å; L198-S201 PolarHBondContact O-OG 2.76Å; L198-T202 WeakPolarHBondContact O-CB 3.48Å; L198-T202 PolarHBondContact O-N 3.12Å; L198-T202 PolarHBondContact O-OG1 3.41Å |
| 199 | K | 95.2 | Very high | 93.5 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 3% | 0.03 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 178.4 | -70.4 | 179.9 | -175.3 | 172.5 | 0 | 111.8 | L89 L92 D93 L96 Y144 Q195 R196 T202 C203 | L89-K199 HydrophobicContact CD1-CD 3.76Å; L92-K199 HydrophobicContact CB-CB 3.98Å; L92-K199 HydrophobicContact CB-CD 4.49Å; L92-K199 HydrophobicContact CD1-CB 4.12Å; D93-K199 VanDerWaalsContact OD1-CD 3.29Å; D93-K199 WeakPolarHBondContact OD1-CD 3.37Å; D93-K199 WeakPolarHBondContact OD1-CE 3.22Å; D93-K199 IonicContact OD1-NZ 2.76Å; D93-K199 PolarHBondContact OD1-NZ 3.47Å; D93-K199 IonicContact OD2-NZ 2.71Å; D93-K199 PolarHBondContact OD2-NZ 3.04Å; L96-K199 HydrophobicContact CD1-CB 3.84Å; L96-K199 HydrophobicContact CD1-CD 4.37Å; L96-K199 HydrophobicContact CD1-CG 3.72Å; Y144-K199 HydrophobicContact CE2-CG 3.94Å; Q195-K199 HydrophobicContact CG-CD 4.49Å; Q195-K199 VanDerWaalsContact NE2-NZ 3.14Å; Q195-K199 WeakPolarHBondContact O-CG 3.3Å; Q195-K199 PolarHBondContact O-N 3.22Å; R196-K199 PolarHBondContact O-N 3.4Å; K199-T202 PolarHBondContact O-N 3.49Å; K199-C203 WeakPolarHBondContact O-CB 3.47Å; K199-C203 PolarHBondContact O-N 2.89Å; K199-C203 PolarHBondContact O-SG 3.24Å |
| 200 | Q | 95.4 | Very high | 93.4 | Very high | 64 Ų | 64 | 54.2 Ų | 54.2 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -52.7 | 176.4 | -179.5 | 64.5 | 42.1 | 0 | 0 | 111.6 | L92 R196 Q197 L198 T202 C203 E204 | L92-Q200 HydrophobicContact CD1-CB 4.12Å; L92-Q200 HydrophobicContact CD2-CB 4.46Å; R196-Q200 WeakPolarHBondContact O-CB 3.36Å; R196-Q200 PolarHBondContact O-N 3.35Å; Q197-Q200 PolarHBondContact O-N 3.41Å; L198-Q200 VanDerWaalsContact C-N 3.35Å; L198-Q200 PolarHBondContact O-N 2.96Å; Q200-T202 VanDerWaalsContact C-N 3.26Å; Q200-T202 PolarHBondContact O-N 2.95Å; Q200-C203 WeakPolarHBondContact O-CB 3.49Å; Q200-C203 PolarHBondContact O-N 2.71Å; Q200-C203 VanDerWaalsContact O-N 3.16Å; Q200-E204 PolarHBondContact NE2-OE1 3.26Å; Q200-E204 WeakPolarHBondContact O-CG 3.45Å; Q200-E204 PolarHBondContact O-N 3.29Å |
| 201 | S | 95.6 | Very high | 93 | Very high | 50 Ų | 50 | 49.9 Ų | 49.9 | 35% | 0.35 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63 | -35 | 179.8 | 66.3 | 0 | 0 | 0 | 0 | 112.1 | Q197 L198 E204 A205 | Q197-S201 PolarHBondContact O-N 2.98Å; Q197-S201 PolarHBondContact O-OG 3.36Å; L198-S201 PolarHBondContact O-OG 2.76Å; S201-E204 PolarHBondContact O-N 2.96Å; S201-A205 WeakPolarHBondContact O-CB 3.31Å; S201-A205 PolarHBondContact O-N 2.93Å |
| 202 | T | 96.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 174.5 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | L96 V101 I140 Y144 L198 K199 Q200 E204 A205 V206 | L96-T202 HydrophobicContact CD2-CG2 3.59Å; V101-T202 HydrophobicContact CG1-CG2 3.77Å; I140-T202 HydrophobicContact CG2-CG2 3.85Å; Y144-T202 HydrophobicContact CD2-CG2 3.99Å; Y144-T202 WeakPolarHBondContact CD2-OG1 3.38Å; Y144-T202 HydrophobicContact CG-CG2 4.08Å; L198-T202 WeakPolarHBondContact O-CB 3.48Å; L198-T202 PolarHBondContact O-N 3.12Å; L198-T202 PolarHBondContact O-OG1 3.41Å; K199-T202 PolarHBondContact O-N 3.49Å; Q200-T202 VanDerWaalsContact C-N 3.26Å; Q200-T202 PolarHBondContact O-N 2.95Å; T202-E204 VanDerWaalsContact C-N 3.33Å; T202-E204 PolarHBondContact O-N 3.42Å; T202-A205 PolarHBondContact O-N 3.45Å; T202-V206 WeakPolarHBondContact O-CG2 3.34Å; T202-V206 PolarHBondContact O-N 3.33Å |
| 203 | C | 95.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -45 | 174.5 | -72.3 | 0 | 0 | 0 | 0 | 111.4 | L92 M95 L96 K199 Q200 A205 V206 M207 | L92-C203 HydrophobicContact CD2-CB 4.16Å; M95-C203 HydrophobicContact SD-CB 3.58Å; M95-C203 VanDerWaalsContact SD-CB 3.58Å; L96-C203 VanDerWaalsContact CD2-SG 3.51Å; K199-C203 WeakPolarHBondContact O-CB 3.47Å; K199-C203 PolarHBondContact O-N 2.89Å; K199-C203 PolarHBondContact O-SG 3.24Å; Q200-C203 WeakPolarHBondContact O-CB 3.49Å; Q200-C203 PolarHBondContact O-N 2.71Å; Q200-C203 VanDerWaalsContact O-N 3.16Å; C203-A205 VanDerWaalsContact C-N 3.35Å; C203-A205 PolarHBondContact O-N 2.89Å; C203-V206 PolarHBondContact O-N 3.39Å; C203-M207 VanDerWaalsContact O-CG 3.3Å; C203-M207 WeakPolarHBondContact O-CG 3.47Å; C203-M207 PolarHBondContact O-N 3.34Å |
| 204 | E | 94.9 | Very high | 91.2 | Very high | 103 Ų | 103 | 53.4 Ų | 53.4 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 177.1 | -72.6 | 171.5 | -170.3 | 0 | 0 | 112.6 | Q200 S201 T202 M207 T208 | Q200-E204 PolarHBondContact NE2-OE1 3.26Å; Q200-E204 WeakPolarHBondContact O-CG 3.45Å; Q200-E204 PolarHBondContact O-N 3.29Å; S201-E204 PolarHBondContact O-N 2.96Å; T202-E204 VanDerWaalsContact C-N 3.33Å; T202-E204 PolarHBondContact O-N 3.42Å; E204-M207 PolarHBondContact O-N 3.31Å; E204-T208 VanDerWaalsContact O-CB 3.29Å; E204-T208 WeakPolarHBondContact O-CB 3.4Å; E204-T208 PolarHBondContact O-N 3.46Å; E204-T208 PolarHBondContact O-OG1 3.01Å |
| 205 | A | 95 | Very high | 90 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 21% | 0.207 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I140 S201 T202 C203 T208 L209 | I140-A205 HydrophobicContact CD1-CB 4.14Å; S201-A205 WeakPolarHBondContact O-CB 3.31Å; S201-A205 PolarHBondContact O-N 2.93Å; T202-A205 PolarHBondContact O-N 3.45Å; C203-A205 VanDerWaalsContact C-N 3.35Å; C203-A205 PolarHBondContact O-N 2.89Å; A205-T208 PolarHBondContact O-N 3.41Å; A205-L209 WeakPolarHBondContact O-CB 3.49Å; A205-L209 PolarHBondContact O-N 3.43Å |
| 206 | V | 93.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 176.3 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | E99 V101 L137 I140 T202 C203 T208 L209 R210 | E99-V206 HydrophobicContact CB-CG1 3.93Å; E99-V206 HydrophobicContact CG-CG1 3.69Å; V101-V206 HydrophobicContact CG2-CG2 3.85Å; L137-V206 HydrophobicContact CD1-CG1 4.3Å; L137-V206 HydrophobicContact CD1-CG2 4.09Å; I140-V206 HydrophobicContact CD1-CG2 4.47Å; I140-V206 HydrophobicContact CG2-CG2 4Å; T202-V206 WeakPolarHBondContact O-CG2 3.34Å; T202-V206 PolarHBondContact O-N 3.33Å; C203-V206 PolarHBondContact O-N 3.39Å; V206-T208 VanDerWaalsContact C-N 3.31Å; V206-T208 PolarHBondContact O-N 3.29Å; V206-L209 WeakPolarHBondContact O-CB 3.35Å; V206-L209 PolarHBondContact O-N 3.05Å; V206-R210 WeakPolarHBondContact O-CB 3.43Å; V206-R210 PolarHBondContact O-N 2.93Å |
| 207 | M | 91.3 | Very high | 86.7 | Confident | 74 Ų | 74 | 57.5 Ų | 57.5 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 178.6 | -68.8 | -57.3 | 126.5 | 0 | 0 | 111.7 | M95 E99 C203 E204 R210 S211 | M95-M207 HydrophobicContact CG-CE 4.33Å; M95-M207 HydrophobicContact SD-CE 4.12Å; E99-M207 HydrophobicContact CG-CE 4.23Å; C203-M207 VanDerWaalsContact O-CG 3.3Å; C203-M207 WeakPolarHBondContact O-CG 3.47Å; C203-M207 PolarHBondContact O-N 3.34Å; E204-M207 PolarHBondContact O-N 3.31Å; M207-R210 PolarHBondContact O-N 3.44Å; M207-S211 WeakPolarHBondContact O-CB 3.34Å; M207-S211 PolarHBondContact O-N 2.99Å |
| 208 | T | 92 | Very high | 84.9 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 111.3 | E204 A205 V206 R210 S211 R212 | E204-T208 VanDerWaalsContact O-CB 3.29Å; E204-T208 WeakPolarHBondContact O-CB 3.4Å; E204-T208 PolarHBondContact O-N 3.46Å; E204-T208 PolarHBondContact O-OG1 3.01Å; A205-T208 PolarHBondContact O-N 3.41Å; V206-T208 VanDerWaalsContact C-N 3.31Å; V206-T208 PolarHBondContact O-N 3.29Å; T208-R210 PolarHBondContact O-N 3.13Å; T208-S211 PolarHBondContact O-N 2.96Å; T208-R212 HydrophobicContact CG2-CG 4.43Å; T208-R212 VanDerWaalsContact CG2-CZ 3.49Å; T208-R212 WeakPolarHBondContact O-CB 3.29Å; T208-R212 WeakPolarHBondContact O-CG 3.36Å; T208-R212 PolarHBondContact O-N 3.09Å |
| 209 | L | 90.8 | Very high | 83 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 177.3 | -178 | 65.9 | 0 | 0 | 0 | 111.3 | Y133 K136 L137 I140 A205 V206 R212 L213 | Y133-L209 HydrophobicContact CD2-CD2 3.99Å; Y133-L209 HydrophobicContact CD2-CG 3.8Å; Y133-L209 HydrophobicContact CE2-CD2 3.9Å; Y133-L209 HydrophobicContact CE2-CG 3.8Å; K136-L209 HydrophobicContact CB-CD1 3.72Å; K136-L209 HydrophobicContact CB-CD2 3.88Å; K136-L209 HydrophobicContact CB-CG 4.48Å; K136-L209 HydrophobicContact CD-CD1 3.84Å; K136-L209 HydrophobicContact CG-CD1 4.4Å; L137-L209 HydrophobicContact CB-CD2 4.07Å; I140-L209 HydrophobicContact CD1-CB 4.29Å; I140-L209 HydrophobicContact CD1-CD2 3.82Å; A205-L209 WeakPolarHBondContact O-CB 3.49Å; A205-L209 PolarHBondContact O-N 3.43Å; V206-L209 WeakPolarHBondContact O-CB 3.35Å; V206-L209 PolarHBondContact O-N 3.05Å; L209-R212 PolarHBondContact O-N 3.11Å; L209-L213 HydrophobicContact CD1-CD1 3.42Å; L209-L213 VanDerWaalsContact CD1-CD1 3.42Å; L209-L213 HydrophobicContact CD1-CG 4.11Å; L209-L213 HydrophobicContact CG-CD1 4.28Å; L209-L213 WeakPolarHBondContact O-CB 3.29Å; L209-L213 PolarHBondContact O-N 2.78Å |
| 210 | R | 87.9 | Confident | 81.2 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 176.1 | 179.7 | 168.9 | 178.1 | 167.6 | -1 | 111.5 | E99 V206 M207 T208 R212 L214 D215 | E99-R210 IonicContact OE1-NH1 3.08Å; E99-R210 PolarHBondContact OE1-NH1 3.4Å; V206-R210 WeakPolarHBondContact O-CB 3.43Å; V206-R210 PolarHBondContact O-N 2.93Å; M207-R210 PolarHBondContact O-N 3.44Å; T208-R210 PolarHBondContact O-N 3.13Å; R210-R212 PolarHBondContact O-N 2.91Å; R210-L214 HydrophobicContact CB-CD1 4.48Å; R210-L214 HydrophobicContact CG-CB 4.46Å; R210-L214 HydrophobicContact CG-CD1 3.99Å; R210-L214 WeakPolarHBondContact O-CA 3.3Å; R210-L214 VanDerWaalsContact O-CB 3.32Å; R210-L214 WeakPolarHBondContact O-CB 3.45Å; R210-L214 PolarHBondContact O-N 3.42Å; R210-D215 PolarHBondContact O-N 3.35Å; R210-D215 VanDerWaalsContact O-N 3.14Å |
| 211 | S | 85.5 | Confident | 80 | Confident | 66 Ų | 66 | 84.8 Ų | 84.8 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | I | π-helix | trans | -58.9 | -46.1 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 112 | M207 T208 D215 A216 | M207-S211 WeakPolarHBondContact O-CB 3.34Å; M207-S211 PolarHBondContact O-N 2.99Å; T208-S211 PolarHBondContact O-N 2.96Å; S211-D215 CarbonylContact O-C 3.59Å; S211-D215 PolarHBondContact O-N 2.81Å; S211-A216 PolarHBondContact O-N 2.86Å |
| 212 | R | 84.3 | Confident | 79.3 | Confident | 127 Ų | 127 | 89.2 Ų | 89.2 | 48% | 0.479 | 41% | 0.411 | S | S | . | . | I | π-helix | trans | -72.8 | -37.1 | -176.8 | -71.8 | 179.8 | -176 | 167.9 | 3.4 | 114.2 | T208 L209 R210 A216 | T208-R212 HydrophobicContact CG2-CG 4.43Å; T208-R212 VanDerWaalsContact CG2-CZ 3.49Å; T208-R212 WeakPolarHBondContact O-CB 3.29Å; T208-R212 WeakPolarHBondContact O-CG 3.36Å; T208-R212 PolarHBondContact O-N 3.09Å; L209-R212 PolarHBondContact O-N 3.11Å; R210-R212 PolarHBondContact O-N 2.91Å; R212-A216 VanDerWaalsContact O-CB 3.23Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å |
| 213 | L | 81.3 | Confident | 78.9 | Confident | 51 Ų | 51 | 91.4 Ų | 91.4 | 27% | 0.267 | 42% | 0.42 | S | S | . | . | I | π-helix | trans | -104.2 | -31.9 | -171.2 | -62.4 | -176 | 0 | 0 | 0 | 113.8 | Y133 K136 L209 | Y133-L213 HydrophobicContact CD2-CB 4.26Å; Y133-L213 HydrophobicContact CD2-CD1 4.25Å; K136-L213 HydrophobicContact CD-CD1 4.01Å; L209-L213 HydrophobicContact CD1-CD1 3.42Å; L209-L213 VanDerWaalsContact CD1-CD1 3.42Å; L209-L213 HydrophobicContact CD1-CG 4.11Å; L209-L213 HydrophobicContact CG-CD1 4.28Å; L209-L213 WeakPolarHBondContact O-CB 3.29Å; L209-L213 PolarHBondContact O-N 2.78Å |
| 214 | L | 73.3 | Confident | 78.6 | Confident | 41 Ų | 41 | 94 Ų | 94 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | I | π-helix | trans | -99.8 | -42.7 | -178.3 | -63.5 | 167.7 | 0 | 0 | 0 | 111.5 | Y133 R210 R218 | Y133-L214 HydrophobicContact CD2-CD1 4.05Å; Y133-L214 HydrophobicContact CD2-CG 4.21Å; Y133-L214 HydrophobicContact CE1-CD1 4.12Å; Y133-L214 HydrophobicContact CE2-CD1 3.63Å; Y133-L214 HydrophobicContact CE2-CG 4.24Å; Y133-L214 HydrophobicContact CG-CD1 4.48Å; R210-L214 HydrophobicContact CB-CD1 4.48Å; R210-L214 HydrophobicContact CG-CB 4.46Å; R210-L214 HydrophobicContact CG-CD1 3.99Å; R210-L214 WeakPolarHBondContact O-CA 3.3Å; R210-L214 VanDerWaalsContact O-CB 3.32Å; R210-L214 WeakPolarHBondContact O-CB 3.45Å; R210-L214 PolarHBondContact O-N 3.42Å; L214-R218 PolarHBondContact O-N 3.37Å |
| 215 | D | 66.8 | Low | 78.3 | Confident | 63 Ų | 63 | 97 Ų | 97 | 34% | 0.337 | 45% | 0.449 | S | S | . | . | I | π-helix | trans | -91.2 | -32.1 | -174.5 | -62.5 | -37.5 | 0 | 0 | 0 | 113.9 | R210 S211 R217 R218 | R210-D215 PolarHBondContact O-N 3.35Å; R210-D215 VanDerWaalsContact O-N 3.14Å; S211-D215 CarbonylContact O-C 3.59Å; S211-D215 PolarHBondContact O-N 2.81Å; D215-R217 PolarHBondContact O-N 3.47Å; D215-R218 CarbonylContact O-C 3.09Å; D215-R218 WeakPolarHBondContact O-CA 3.39Å; D215-R218 PolarHBondContact O-N 2.84Å; D215-R218 IonicContact OD1-CZ 2.77Å; D215-R218 IonicContact OD1-NH1 2.9Å; D215-R218 PolarHBondContact OD1-NH1 3.03Å |
| 216 | A | 59.3 | Low | 78.1 | Confident | 67 Ų | 67 | 101.7 Ų | 101.7 | 55% | 0.554 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S211 R212 | S211-A216 PolarHBondContact O-N 2.86Å; R212-A216 VanDerWaalsContact O-CB 3.23Å; R212-A216 WeakPolarHBondContact O-CB 3.48Å |
| 217 | R | 56.3 | Low | 78 | Confident | 139 Ų | 139 | 101.7 Ų | 101.7 | 53% | 0.525 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -29.8 | 170 | -94.7 | -175.5 | 174.6 | -161.5 | -2.4 | 112.6 | D125 D215 K219 | D125-R217 PolarHBondContact O-NH1 3.47Å; D125-R217 PolarHBondContact O-NH2 3.09Å; D125-R217 IonicContact OD1-NH2 3.88Å; D125-R217 PolarHBondContact OD1-NH2 2.77Å; D125-R217 VanDerWaalsContact OD1-NH2 3.08Å; D215-R217 PolarHBondContact O-N 3.47Å; R217-K219 PolarHBondContact O-N 2.95Å |
| 218 | R | 58.3 | Low | 78.1 | Confident | 167 Ų | 167 | 100.2 Ų | 100.2 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -79.6 | 56.7 | 162.7 | -65.7 | -172.4 | -163.4 | 116.6 | -1.1 | 110.3 | L214 D215 R220 | L214-R218 PolarHBondContact O-N 3.37Å; D215-R218 CarbonylContact O-C 3.09Å; D215-R218 WeakPolarHBondContact O-CA 3.39Å; D215-R218 PolarHBondContact O-N 2.84Å; D215-R218 IonicContact OD1-CZ 2.77Å; D215-R218 IonicContact OD1-NH1 2.9Å; D215-R218 PolarHBondContact OD1-NH1 3.03Å; R218-R220 PolarHBondContact O-N 3.24Å |
| 219 | K | 53.9 | Low | 78.1 | Confident | 180 Ų | 180 | 101.1 Ų | 101.1 | 78% | 0.783 | 46% | 0.463 | S | S | * | . | trans | -51.4 | 110.1 | 166.2 | -141.6 | 168.5 | -170.9 | 174.2 | 0 | 106 | R217 R221 | R217-K219 PolarHBondContact O-N 2.95Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.05Å | ||
| 220 | R | 58 | Low | 78.2 | Confident | 210 Ų | 210 | 101.7 Ų | 101.7 | 79% | 0.792 | 47% | 0.466 | S | S | * | . | trans | -57.7 | 98.6 | 178.7 | -164.6 | -173.6 | -162.1 | 178.3 | 8.5 | 105.4 | R218 N222 | R218-R220 PolarHBondContact O-N 3.24Å; R220-N222 PolarHBondContact O-N 3.02Å | ||
| 221 | R | 69.2 | Low | 78.5 | Confident | 231 Ų | 231 | 96.8 Ų | 96.8 | 87% | 0.872 | 45% | 0.448 | S | S | * | . | trans | -65.7 | 107.3 | 176.8 | -87.1 | 173.3 | 70.9 | -172.1 | 2 | 104.9 | K219 | K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.05Å | ||
| 222 | N | 81.1 | Confident | 78.9 | Confident | 143 Ų | 143 | 94.2 Ų | 94.2 | 77% | 0.765 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 143.1 | 165.7 | -67.8 | -32.8 | 0 | 0 | 0 | 107 | R220 | R220-N222 PolarHBondContact O-N 3.02Š|
| 223 | F | 87.9 | Confident | 79.4 | Confident | 57 Ų | 57 | 93 Ų | 93 | 25% | 0.25 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 150 | 170.6 | -68.5 | -16.3 | 0 | 0 | 0 | 109.3 | A227 L231 I258 Q262 W266 | F223-A227 HydrophobicContact CB-CB 4.04Å; F223-L231 HydrophobicContact CD2-CD1 3.85Å; F223-L231 HydrophobicContact CE2-CD1 3.91Å; F223-I258 HydrophobicContact CD1-CG2 4.2Å; F223-I258 HydrophobicContact CD2-CD1 4.4Å; F223-I258 HydrophobicContact CE1-CG2 4.36Å; F223-I258 HydrophobicContact CE2-CD1 4.09Å; F223-I258 HydrophobicContact CZ-CD1 4.34Å; F223-Q262 HydrophobicContact CE1-CB 4.19Å; F223-Q262 HydrophobicContact CE1-CG 4.28Å; F223-Q262 HydrophobicContact CZ-CB 3.79Å; F223-Q262 HydrophobicContact CZ-CG 4.28Å; F223-W266 AromaticContact CD2-CD1 3.66Å; F223-W266 HydrophobicContact CD2-CG 4.48Å; F223-W266 HydrophobicContact CE2-CB 3.95Å; F223-W266 AromaticContact CE2-CD1 3.34Å; F223-W266 AromaticContact CE2-CG 3.89Å; F223-W266 HydrophobicContact CE2-CG 3.89Å |
| 224 | S | 88.8 | Confident | 79.9 | Confident | 60 Ų | 60 | 92.5 Ų | 92.5 | 42% | 0.42 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -58 | 158.1 | 173.4 | 65.3 | 0 | 0 | 0 | 0 | 109.6 | Q226 A227 T228 | S224-Q226 PolarHBondContact O-N 3.07Å; S224-A227 PolarHBondContact O-N 3.42Å; S224-A227 VanDerWaalsContact OG-CB 3.23Å; S224-A227 WeakPolarHBondContact OG-CB 3.37Å; S224-A227 PolarHBondContact OG-N 3.44Å; S224-T228 PolarHBondContact O-N 2.96Å; S224-T228 PolarHBondContact O-OG1 3.42Å |
| 225 | K | 89 | Confident | 80.8 | Confident | 165 Ų | 165 | 90.6 Ų | 90.6 | 72% | 0.717 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -55.2 | -45.7 | 175.8 | -170.3 | -176.2 | 179.6 | -163.6 | 0 | 110.5 | T228 E229 | K225-T228 PolarHBondContact O-N 3.5Å; K225-E229 WeakPolarHBondContact CE-OE1 3.42Å; K225-E229 IonicContact NZ-OE1 3.9Å; K225-E229 WeakPolarHBondContact O-CB 3.35Å; K225-E229 WeakPolarHBondContact O-CG 3.37Å; K225-E229 PolarHBondContact O-N 3.03Å |
| 226 | Q | 91.4 | Very high | 82 | Confident | 124 Ų | 124 | 88 Ų | 88 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -57.6 | -49.5 | 175.3 | -176.2 | -176.9 | 8.5 | 0 | 0 | 112.8 | S224 T228 E229 V230 | S224-Q226 PolarHBondContact O-N 3.07Å; Q226-T228 VanDerWaalsContact C-N 3.27Å; Q226-T228 PolarHBondContact O-N 2.7Å; Q226-E229 PolarHBondContact O-N 2.86Å; Q226-V230 WeakPolarHBondContact O-CG2 3.45Å; Q226-V230 PolarHBondContact O-N 2.68Å |
| 227 | A | 91.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 88.6 Ų | 88.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -60.9 | -40 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F223 S224 L231 G256 I258 | F223-A227 HydrophobicContact CB-CB 4.04Å; S224-A227 PolarHBondContact O-N 3.42Å; S224-A227 VanDerWaalsContact OG-CB 3.23Å; S224-A227 WeakPolarHBondContact OG-CB 3.37Å; S224-A227 PolarHBondContact OG-N 3.44Å; A227-L231 WeakPolarHBondContact O-CB 3.35Å; A227-L231 WeakPolarHBondContact O-CD1 3.32Å; A227-L231 WeakPolarHBondContact O-CG 3.29Å; A227-L231 PolarHBondContact O-N 2.94Å; A227-G256 VanDerWaalsContact CB-O 3.28Å; A227-G256 WeakPolarHBondContact CB-O 3.27Å; A227-I258 HydrophobicContact CB-CG2 4.17Å |
| 228 | T | 93.2 | Very high | 84.9 | Confident | 44 Ų | 44 | 85.5 Ų | 85.5 | 27% | 0.27 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.2 | -38.8 | 178.5 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | S224 K225 Q226 N232 | S224-T228 PolarHBondContact O-N 2.96Å; S224-T228 PolarHBondContact O-OG1 3.42Å; K225-T228 PolarHBondContact O-N 3.5Å; Q226-T228 VanDerWaalsContact C-N 3.27Å; Q226-T228 PolarHBondContact O-N 2.7Å; T228-N232 VanDerWaalsContact O-CB 3.32Å; T228-N232 WeakPolarHBondContact O-CB 3.23Å; T228-N232 PolarHBondContact O-N 2.7Å; T228-N232 PolarHBondContact O-ND2 3.43Å |
| 229 | E | 93.2 | Very high | 86.3 | Confident | 75 Ų | 75 | 80.2 Ų | 80.2 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.7 | -51.2 | 175.6 | -78.5 | 168.6 | 174 | 0 | 0 | 111.2 | K225 Q226 L231 N232 E233 | K225-E229 WeakPolarHBondContact CE-OE1 3.42Å; K225-E229 IonicContact NZ-OE1 3.9Å; K225-E229 WeakPolarHBondContact O-CB 3.35Å; K225-E229 WeakPolarHBondContact O-CG 3.37Å; K225-E229 PolarHBondContact O-N 3.03Å; Q226-E229 PolarHBondContact O-N 2.86Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 2.87Å; E229-N232 PolarHBondContact O-N 3.01Å; E229-E233 VanDerWaalsContact O-CB 3.29Å; E229-E233 WeakPolarHBondContact O-CB 3.42Å; E229-E233 PolarHBondContact O-N 2.82Å |
| 230 | V | 93.1 | Very high | 87.7 | Confident | 23 Ų | 23 | 77.6 Ų | 77.6 | 14% | 0.139 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56 | -42.9 | 178 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | Q226 Y234 L252 K255 | Q226-V230 WeakPolarHBondContact O-CG2 3.45Å; Q226-V230 PolarHBondContact O-N 2.68Å; V230-Y234 PolarHBondContact O-N 3.4Å; V230-L252 HydrophobicContact CG1-CD2 3.59Å; V230-K255 HydrophobicContact CG1-CB 3.77Å; V230-K255 HydrophobicContact CG1-CD 4.42Å; V230-K255 HydrophobicContact CG2-CB 4.2Å |
| 231 | L | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 179.3 | -67.2 | 170.8 | 0 | 0 | 0 | 112.7 | F223 A227 E229 F235 L252 I258 V263 W266 F267 | F223-L231 HydrophobicContact CD2-CD1 3.85Å; F223-L231 HydrophobicContact CE2-CD1 3.91Å; A227-L231 WeakPolarHBondContact O-CB 3.35Å; A227-L231 WeakPolarHBondContact O-CD1 3.32Å; A227-L231 WeakPolarHBondContact O-CG 3.29Å; A227-L231 PolarHBondContact O-N 2.94Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 2.87Å; L231-F235 VanDerWaalsContact O-CB 3.3Å; L231-F235 WeakPolarHBondContact O-CB 3.49Å; L231-F235 PolarHBondContact O-N 3.34Å; L231-L252 HydrophobicContact CD2-CB 4.32Å; L231-I258 HydrophobicContact CD1-CD1 3.77Å; L231-I258 HydrophobicContact CD2-CD1 4.43Å; L231-I258 HydrophobicContact CG-CD1 4.42Å; L231-V263 HydrophobicContact CD2-CG1 3.97Å; L231-V263 HydrophobicContact CD2-CG2 4.22Å; L231-W266 HydrophobicContact CB-CD2 4.04Å; L231-W266 HydrophobicContact CB-CE3 3.88Å; L231-W266 HydrophobicContact CB-CH2 3.7Å; L231-W266 HydrophobicContact CB-CZ2 3.83Å; L231-W266 HydrophobicContact CB-CZ3 3.73Å; L231-W266 HydrophobicContact CD1-CB 4.29Å; L231-W266 HydrophobicContact CD1-CD2 3.74Å; L231-W266 HydrophobicContact CD1-CE3 4.23Å; L231-W266 HydrophobicContact CD1-CG 3.75Å; L231-W266 HydrophobicContact CD2-CE3 4.43Å; L231-W266 HydrophobicContact CG-CD2 4.39Å; L231-W266 HydrophobicContact CG-CE3 4.43Å; L231-F267 HydrophobicContact CD2-CD2 4.33Å; L231-F267 HydrophobicContact CD2-CE2 3.57Å; L231-F267 HydrophobicContact CD2-CZ 4.32Å |
| 232 | N | 93.1 | Very high | 90 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.059 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 177.5 | -79.9 | -35.2 | 0 | 0 | 0 | 111.7 | T228 E229 Y234 F235 Y236 W266 K270 Y288 | T228-N232 VanDerWaalsContact O-CB 3.32Å; T228-N232 WeakPolarHBondContact O-CB 3.23Å; T228-N232 PolarHBondContact O-N 2.7Å; T228-N232 PolarHBondContact O-ND2 3.43Å; E229-N232 PolarHBondContact O-N 3.01Å; N232-Y234 VanDerWaalsContact C-N 3.35Å; N232-Y234 PolarHBondContact O-N 2.97Å; N232-F235 PolarHBondContact O-N 3.27Å; N232-Y236 HydrophobicContact CB-CD2 4.08Å; N232-Y236 HydrophobicContact CB-CE2 4.03Å; N232-Y236 WeakPolarHBondContact O-CB 3.36Å; N232-Y236 WeakPolarHBondContact O-CD2 3.44Å; N232-Y236 PolarHBondContact O-N 3.31Å; N232-W266 VanDerWaalsContact OD1-CH2 3.31Å; N232-W266 WeakPolarHBondContact OD1-CH2 3.27Å; N232-W266 WeakPolarHBondContact OD1-CZ2 3.02Å; N232-K270 PolarHBondContact OD1-NZ 3.48Å; N232-Y288 HydrophobicContact CB-CE1 3.89Å; N232-Y288 HydrophobicContact CB-CE2 4.06Å; N232-Y288 PolarHBondContact ND2-OH 3.12Å |
| 233 | E | 93.7 | Very high | 90.5 | Very high | 103 Ų | 103 | 62 Ų | 62 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.3 | -48.3 | 177.5 | -177 | -178 | 180 | 0 | 0 | 110.9 | E229 S237 | E229-E233 VanDerWaalsContact O-CB 3.29Å; E229-E233 WeakPolarHBondContact O-CB 3.42Å; E229-E233 PolarHBondContact O-N 2.82Å; E233-S237 WeakPolarHBondContact O-CB 3.48Å; E233-S237 PolarHBondContact O-N 3.19Å; E233-S237 PolarHBondContact O-OG 3.5Å |
| 234 | Y | 93.1 | Very high | 90.7 | Very high | 39 Ų | 39 | 59.8 Ų | 59.8 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.3 | -174.4 | -87.1 | 0 | 0 | 0 | 112.1 | V230 N232 Y236 S237 H238 P244 T248 L252 F267 | V230-Y234 PolarHBondContact O-N 3.4Å; N232-Y234 VanDerWaalsContact C-N 3.35Å; N232-Y234 PolarHBondContact O-N 2.97Å; Y234-Y236 PolarHBondContact O-N 3.41Å; Y234-S237 WeakPolarHBondContact CA-OG 3.47Å; Y234-S237 PolarHBondContact O-N 3.49Å; Y234-S237 PolarHBondContact O-OG 2.89Å; Y234-H238 AromaticContact CD2-CE1 3.83Å; Y234-H238 AromaticContact CD2-ND1 3.8Å; Y234-H238 HydrophobicContact CE1-CB 4.3Å; Y234-H238 AromaticContact CE2-CE1 3.52Å; Y234-H238 AromaticContact CE2-ND1 3.68Å; Y234-H238 AromaticContact CE2-NE2 3.9Å; Y234-H238 AromaticContact CZ-CG 3.93Å; Y234-H238 AromaticContact CZ-ND1 3.89Å; Y234-H238 WeakPolarHBondContact O-CB 3.18Å; Y234-H238 PolarHBondContact O-N 2.93Å; Y234-H238 PolarHBondContact O-ND1 2.83Å; Y234-P244 HydrophobicContact CD1-CB 4.49Å; Y234-P244 HydrophobicContact CE1-CB 3.66Å; Y234-P244 HydrophobicContact CE1-CG 4.19Å; Y234-T248 HydrophobicContact CD2-CG2 4.09Å; Y234-T248 HydrophobicContact CE1-CG2 4.43Å; Y234-T248 HydrophobicContact CE2-CG2 3.4Å; Y234-L252 HydrophobicContact CD1-CD1 4.05Å; Y234-L252 HydrophobicContact CD2-CD1 4.31Å; Y234-L252 HydrophobicContact CD2-CD2 4.41Å; Y234-L252 HydrophobicContact CG-CD1 3.89Å; Y234-L252 HydrophobicContact CG-CD2 4.24Å; Y234-F267 AromaticContact CD1-CE1 3.7Å; Y234-F267 HydrophobicContact CD1-CE1 3.7Å; Y234-F267 AromaticContact CD1-CZ 3.54Å; Y234-F267 HydrophobicContact CD1-CZ 3.54Å; Y234-F267 HydrophobicContact CE1-CE1 4.28Å; Y234-F267 HydrophobicContact CE1-CZ 4.32Å; Y234-F267 HydrophobicContact CG-CZ 4.3Å |
| 235 | F | 92.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | -178.6 | -175.2 | -89.8 | 0 | 0 | 0 | 112.5 | L231 N232 H238 L239 P242 W266 F267 K270 R271 Y274 | L231-F235 VanDerWaalsContact O-CB 3.3Å; L231-F235 WeakPolarHBondContact O-CB 3.49Å; L231-F235 PolarHBondContact O-N 3.34Å; N232-F235 PolarHBondContact O-N 3.27Å; F235-H238 CarbonylContact O-C 3.58Å; F235-H238 PolarHBondContact O-N 3.17Å; F235-L239 HydrophobicContact CD1-CD2 4.14Å; F235-L239 HydrophobicContact CE1-CD2 3.76Å; F235-L239 PolarHBondContact O-N 2.98Å; F235-P242 HydrophobicContact CD2-CB 3.9Å; F235-P242 HydrophobicContact CE2-CB 3.71Å; F235-P242 HydrophobicContact CE2-CG 4.32Å; F235-P242 HydrophobicContact CZ-CB 4.38Å; F235-W266 HydrophobicContact CB-CH2 4.3Å; F235-W266 HydrophobicContact CB-CZ3 4.15Å; F235-W266 HydrophobicContact CD2-CZ3 4.35Å; F235-W266 HydrophobicContact CG-CZ3 4.44Å; F235-F267 HydrophobicContact CB-CE1 3.94Å; F235-F267 AromaticContact CD2-CD1 3.83Å; F235-F267 HydrophobicContact CD2-CD1 3.83Å; F235-F267 AromaticContact CD2-CE1 3.85Å; F235-F267 HydrophobicContact CD2-CE1 3.85Å; F235-F267 HydrophobicContact CG-CE1 4.42Å; F235-K270 HydrophobicContact CD1-CG 4Å; F235-K270 HydrophobicContact CD2-CB 4.27Å; F235-K270 HydrophobicContact CD2-CG 3.7Å; F235-K270 HydrophobicContact CE1-CG 3.9Å; F235-K270 HydrophobicContact CE2-CB 4.04Å; F235-K270 HydrophobicContact CE2-CG 3.59Å; F235-K270 HydrophobicContact CG-CG 3.91Å; F235-K270 HydrophobicContact CZ-CB 4.48Å; F235-K270 HydrophobicContact CZ-CG 3.7Å; F235-R271 HydrophobicContact CE2-CG 3.81Å; F235-R271 HydrophobicContact CZ-CG 4.44Å; F235-Y274 HydrophobicContact CE1-CD2 4.06Å; F235-Y274 HydrophobicContact CE1-CG 4.07Å; F235-Y274 HydrophobicContact CZ-CG 4.13Å |
| 236 | Y | 90.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -78 | -31.1 | -178 | -68.3 | -53.5 | 0 | 0 | 0 | 112.9 | N232 Y234 H238 L239 K270 E284 A285 Y288 | N232-Y236 HydrophobicContact CB-CD2 4.08Å; N232-Y236 HydrophobicContact CB-CE2 4.03Å; N232-Y236 WeakPolarHBondContact O-CB 3.36Å; N232-Y236 WeakPolarHBondContact O-CD2 3.44Å; N232-Y236 PolarHBondContact O-N 3.31Å; Y234-Y236 PolarHBondContact O-N 3.41Å; Y236-H238 PolarHBondContact O-N 3.02Å; Y236-L239 HydrophobicContact CD1-CD1 4.28Å; Y236-L239 HydrophobicContact CD1-CD2 4.09Å; Y236-L239 HydrophobicContact CD1-CG 4.36Å; Y236-K270 PolarHBondContact OH-NZ 2.96Å; Y236-E284 HydrophobicContact CE2-CB 4.3Å; Y236-E284 PolarHBondContact OH-OE2 3.18Å; Y236-A285 HydrophobicContact CD1-CB 3.54Å; Y236-A285 HydrophobicContact CE1-CB 3.88Å; Y236-A285 HydrophobicContact CG-CB 4.19Å; Y236-Y288 AromaticContact CD2-CD2 3.42Å; Y236-Y288 HydrophobicContact CD2-CD2 3.42Å; Y236-Y288 VanDerWaalsContact CD2-CD2 3.42Å; Y236-Y288 HydrophobicContact CD2-CE2 4.07Å; Y236-Y288 AromaticContact CD2-CG 3.73Å; Y236-Y288 HydrophobicContact CD2-CG 3.73Å; Y236-Y288 AromaticContact CE2-CD2 3.53Å; Y236-Y288 HydrophobicContact CE2-CD2 3.53Å; Y236-Y288 AromaticContact CE2-CE2 3.82Å; Y236-Y288 HydrophobicContact CE2-CE2 3.82Å; Y236-Y288 HydrophobicContact CE2-CG 4.3Å |
| 237 | S | 88.9 | Confident | 91.1 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.1 | -20.6 | 170.6 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | E233 Y234 | E233-S237 WeakPolarHBondContact O-CB 3.48Å; E233-S237 PolarHBondContact O-N 3.19Å; E233-S237 PolarHBondContact O-OG 3.5Å; Y234-S237 WeakPolarHBondContact CA-OG 3.47Å; Y234-S237 PolarHBondContact O-N 3.49Å; Y234-S237 PolarHBondContact O-OG 2.89Å |
| 238 | H | 89.5 | Confident | 91.2 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 40.1 | -178.2 | -60.8 | 74.9 | 0 | 0 | 0 | 112.5 | Y234 F235 Y236 S240 N241 P242 | Y234-H238 AromaticContact CD2-CE1 3.83Å; Y234-H238 AromaticContact CD2-ND1 3.8Å; Y234-H238 HydrophobicContact CE1-CB 4.3Å; Y234-H238 AromaticContact CE2-CE1 3.52Å; Y234-H238 AromaticContact CE2-ND1 3.68Å; Y234-H238 AromaticContact CE2-NE2 3.9Å; Y234-H238 AromaticContact CZ-CG 3.93Å; Y234-H238 AromaticContact CZ-ND1 3.89Å; Y234-H238 WeakPolarHBondContact O-CB 3.18Å; Y234-H238 PolarHBondContact O-N 2.93Å; Y234-H238 PolarHBondContact O-ND1 2.83Å; F235-H238 CarbonylContact O-C 3.58Å; F235-H238 PolarHBondContact O-N 3.17Å; Y236-H238 PolarHBondContact O-N 3.02Å; H238-S240 VanDerWaalsContact C-N 3.26Å; H238-S240 PolarHBondContact O-N 3.21Å; H238-N241 CarbonylContact O-C 3.41Å; H238-N241 PolarHBondContact O-N 3.35Å; H238-N241 VanDerWaalsContact O-N 3.12Å; H238-P242 WeakPolarHBondContact O-CA 3.45Å; H238-P242 WeakPolarHBondContact O-CD 3.22Å |
| 239 | L | 87.4 | Confident | 91.3 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 29% | 0.293 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.6 | -179.2 | -81.4 | 172.2 | 0 | 0 | 0 | 114.1 | F235 Y236 N241 Y274 A285 | F235-L239 HydrophobicContact CD1-CD2 4.14Å; F235-L239 HydrophobicContact CE1-CD2 3.76Å; F235-L239 PolarHBondContact O-N 2.98Å; Y236-L239 HydrophobicContact CD1-CD1 4.28Å; Y236-L239 HydrophobicContact CD1-CD2 4.09Å; Y236-L239 HydrophobicContact CD1-CG 4.36Å; L239-N241 VanDerWaalsContact C-N 3.32Å; L239-Y274 HydrophobicContact CD2-CD2 4.48Å; L239-Y274 HydrophobicContact CD2-CE1 3.99Å; L239-Y274 HydrophobicContact CD2-CE2 3.94Å; L239-A285 HydrophobicContact CD1-CB 4.03Å |
| 240 | S | 83.3 | Confident | 91.4 | Very high | 125 Ų | 125 | 61.6 Ų | 61.6 | 87% | 0.874 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -32.6 | 176.5 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | H238 | H238-S240 VanDerWaalsContact C-N 3.26Å; H238-S240 PolarHBondContact O-N 3.21Å |
| 241 | N | 87.3 | Confident | 91.5 | Very high | 97 Ų | 97 | 63.1 Ų | 63.1 | 52% | 0.519 | 33% | 0.326 | S | S | . | . | trans | -146.1 | 77.7 | 178.6 | -172.7 | 25.7 | 0 | 0 | 0 | 112.2 | H238 L239 Y243 | H238-N241 CarbonylContact O-C 3.41Å; H238-N241 PolarHBondContact O-N 3.35Å; H238-N241 VanDerWaalsContact O-N 3.12Å; L239-N241 VanDerWaalsContact C-N 3.32Å; N241-Y243 PolarHBondContact O-N 3.27Å; N241-Y243 WeakPolarHBondContact OD1-CD2 3.3Å | ||
| 242 | P | 87.3 | Confident | 91.5 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | trans | -82.8 | 50.6 | -174.5 | 32 | -34.1 | 0 | 0 | 0 | 112.3 | F235 H238 R271 | F235-P242 HydrophobicContact CD2-CB 3.9Å; F235-P242 HydrophobicContact CE2-CB 3.71Å; F235-P242 HydrophobicContact CE2-CG 4.32Å; F235-P242 HydrophobicContact CZ-CB 4.38Å; H238-P242 WeakPolarHBondContact O-CA 3.45Å; H238-P242 WeakPolarHBondContact O-CD 3.22Å; P242-R271 HydrophobicContact CB-CG 4.28Å; P242-R271 HydrophobicContact CG-CG 3.94Å; P242-R271 PolarHBondContact O-NH1 3.47Å | ||
| 243 | Y | 91.7 | Very high | 91.5 | Very high | 142 Ų | 142 | 63.3 Ų | 63.3 | 56% | 0.557 | 33% | 0.328 | S | S | * | . | trans | -123.9 | 86 | 178.1 | -67.5 | -91.9 | 0 | 0 | 0 | 109.1 | N241 | N241-Y243 PolarHBondContact O-N 3.27Å; N241-Y243 WeakPolarHBondContact OD1-CD2 3.3Å | ||
| 244 | P | 91.9 | Very high | 91.6 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 7% | 0.065 | 34% | 0.336 | C | S | . | . | trans | -61.1 | 140.3 | 177.3 | 23.4 | -31.8 | 0 | 0 | 0 | 111.1 | Y234 T248 K249 L252 F267 | Y234-P244 HydrophobicContact CD1-CB 4.49Å; Y234-P244 HydrophobicContact CE1-CB 3.66Å; Y234-P244 HydrophobicContact CE1-CG 4.19Å; P244-T248 HydrophobicContact CB-CG2 3.84Å; P244-K249 HydrophobicContact CB-CG 4Å; P244-K249 HydrophobicContact CG-CG 3.83Å; P244-K249 VanDerWaalsContact O-CE 3.31Å; P244-K249 WeakPolarHBondContact O-CE 3.23Å; P244-L252 HydrophobicContact CB-CD1 4.44Å; P244-F267 HydrophobicContact CG-CD1 4.24Å; P244-F267 HydrophobicContact CG-CD2 4.02Å; P244-F267 HydrophobicContact CG-CE1 4.34Å; P244-F267 HydrophobicContact CG-CE2 4.11Å; P244-F267 HydrophobicContact CG-CG 4.11Å; P244-F267 HydrophobicContact CG-CZ 4.29Å | ||
| 245 | S | 93.7 | Very high | 91.6 | Very high | 61 Ų | 61 | 69.8 Ų | 69.8 | 43% | 0.427 | 35% | 0.351 | S | S | . | . | trans | -63.7 | 165.5 | 170.2 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | E247 T248 K249 | S245-E247 VanDerWaalsContact C-N 3.35Å; S245-E247 PolarHBondContact O-N 2.91Å; S245-T248 WeakPolarHBondContact O-CB 3.43Å; S245-T248 PolarHBondContact O-N 3.45Å; S245-T248 VanDerWaalsContact O-N 3.09Å; S245-T248 WeakPolarHBondContact OG-CB 3.34Å; S245-T248 PolarHBondContact OG-N 3.01Å; S245-T248 PolarHBondContact OG-OG1 2.9Å; S245-K249 WeakPolarHBondContact O-CG 3.26Å; S245-K249 PolarHBondContact O-N 2.79Å | ||
| 246 | E | 92 | Very high | 91.6 | Very high | 101 Ų | 101 | 70 Ų | 70 | 47% | 0.472 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | -178.1 | -156.5 | 59.3 | -156.9 | 0 | 0 | 112.1 | T248 K249 E250 | E246-T248 VanDerWaalsContact C-N 3.3Å; E246-T248 PolarHBondContact O-N 3.45Å; E246-K249 WeakPolarHBondContact O-CB 3.35Å; E246-K249 PolarHBondContact O-N 3.43Å; E246-K249 VanDerWaalsContact O-N 3.11Å; E246-K249 IonicContact OE2-NZ 2.66Å; E246-K249 PolarHBondContact OE2-NZ 3.43Å; E246-E250 PolarHBondContact O-N 3.14Å |
| 247 | E | 93.3 | Very high | 91.7 | Very high | 153 Ų | 153 | 72.9 Ų | 72.9 | 72% | 0.715 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -57.2 | -41.7 | 172.3 | -175.7 | -177 | -172.7 | 0 | 0 | 112.2 | S245 K249 E250 E251 | S245-E247 VanDerWaalsContact C-N 3.35Å; S245-E247 PolarHBondContact O-N 2.91Å; E247-K249 VanDerWaalsContact C-N 3.33Å; E247-K249 PolarHBondContact O-N 2.91Å; E247-E250 WeakPolarHBondContact O-CB 3.41Å; E247-E250 PolarHBondContact O-N 3.5Å; E247-E251 PolarHBondContact O-N 3.02Å |
| 248 | T | 93.3 | Very high | 91.9 | Very high | 36 Ų | 36 | 70.4 Ų | 70.4 | 22% | 0.221 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.6 | -35.3 | 178.6 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | Y234 P244 S245 E246 E251 L252 | Y234-T248 HydrophobicContact CD2-CG2 4.09Å; Y234-T248 HydrophobicContact CE1-CG2 4.43Å; Y234-T248 HydrophobicContact CE2-CG2 3.4Å; P244-T248 HydrophobicContact CB-CG2 3.84Å; S245-T248 WeakPolarHBondContact O-CB 3.43Å; S245-T248 PolarHBondContact O-N 3.45Å; S245-T248 VanDerWaalsContact O-N 3.09Å; S245-T248 WeakPolarHBondContact OG-CB 3.34Å; S245-T248 PolarHBondContact OG-N 3.01Å; S245-T248 PolarHBondContact OG-OG1 2.9Å; E246-T248 VanDerWaalsContact C-N 3.3Å; E246-T248 PolarHBondContact O-N 3.45Å; T248-E251 PolarHBondContact O-N 3.36Å; T248-L252 HydrophobicContact CG2-CD1 4.14Å; T248-L252 HydrophobicContact CG2-CG 4.41Å; T248-L252 VanDerWaalsContact O-CG 3.23Å; T248-L252 WeakPolarHBondContact O-CG 3.44Å; T248-L252 PolarHBondContact O-N 3.23Å |
| 249 | K | 94.6 | Very high | 92.1 | Very high | 42 Ų | 42 | 70.5 Ų | 70.5 | 18% | 0.183 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.6 | -38.3 | 175.6 | -65.2 | 171.7 | -165 | 162.5 | 0 | 111.6 | P244 S245 E246 E247 E251 L252 A253 V260 V263 | P244-K249 HydrophobicContact CB-CG 4Å; P244-K249 HydrophobicContact CG-CG 3.83Å; P244-K249 VanDerWaalsContact O-CE 3.31Å; P244-K249 WeakPolarHBondContact O-CE 3.23Å; S245-K249 WeakPolarHBondContact O-CG 3.26Å; S245-K249 PolarHBondContact O-N 2.79Å; E246-K249 WeakPolarHBondContact O-CB 3.35Å; E246-K249 PolarHBondContact O-N 3.43Å; E246-K249 VanDerWaalsContact O-N 3.11Å; E246-K249 IonicContact OE2-NZ 2.66Å; E246-K249 PolarHBondContact OE2-NZ 3.43Å; E247-K249 VanDerWaalsContact C-N 3.33Å; E247-K249 PolarHBondContact O-N 2.91Å; K249-E251 VanDerWaalsContact C-N 3.31Å; K249-L252 PolarHBondContact O-N 3.43Å; K249-A253 WeakPolarHBondContact O-CB 3.43Å; K249-A253 PolarHBondContact O-N 3.29Å; K249-V260 HydrophobicContact CB-CG1 4.02Å; K249-V260 HydrophobicContact CD-CG1 4.46Å; K249-V263 HydrophobicContact CB-CG1 4.15Å; K249-V263 HydrophobicContact CG-CG1 4.19Å |
| 250 | E | 95.4 | Very high | 92.4 | Very high | 113 Ų | 113 | 69.9 Ų | 69.9 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.6 | -43.2 | 173.4 | -70 | 176.2 | 179.1 | 0 | 0 | 110.9 | E246 E247 A253 R254 V260 | E246-E250 PolarHBondContact O-N 3.14Å; E247-E250 WeakPolarHBondContact O-CB 3.41Å; E247-E250 PolarHBondContact O-N 3.5Å; E250-A253 WeakPolarHBondContact O-CB 3.35Å; E250-A253 PolarHBondContact O-N 2.86Å; E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 PolarHBondContact O-N 2.95Å; E250-V260 HydrophobicContact CG-CG2 4Å |
| 251 | E | 94.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 67.5 Ų | 67.5 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.7 | 179.4 | 57.5 | -161.7 | 0 | 0 | 112.7 | E247 T248 K249 R254 K255 | E247-E251 PolarHBondContact O-N 3.02Å; T248-E251 PolarHBondContact O-N 3.36Å; K249-E251 VanDerWaalsContact C-N 3.31Å; E251-R254 PolarHBondContact O-N 2.91Å; E251-R254 IonicContact OE1-CZ 2.84Å; E251-R254 IonicContact OE1-NH2 3.14Å; E251-R254 PolarHBondContact OE1-NH2 2.89Å; E251-R254 IonicContact OE2-CZ 2.65Å; E251-R254 VanDerWaalsContact OE2-CZ 3.24Å; E251-R254 IonicContact OE2-NE 2.77Å; E251-R254 PolarHBondContact OE2-NE 3.37Å; E251-R254 VanDerWaalsContact OE2-NE 3.13Å; E251-R254 IonicContact OE2-NH2 3.91Å; E251-R254 PolarHBondContact OE2-NH2 2.95Å; E251-K255 HydrophobicContact CG-CD 4.25Å; E251-K255 WeakPolarHBondContact O-CB 3.32Å; E251-K255 WeakPolarHBondContact O-CG 3.29Å; E251-K255 PolarHBondContact O-N 3.33Å; E251-K255 WeakPolarHBondContact OE1-CD 3.15Å; E251-K255 WeakPolarHBondContact OE1-CE 3.47Å; E251-K255 IonicContact OE1-NZ 2.68Å; E251-K255 PolarHBondContact OE1-NZ 3.36Å |
| 252 | L | 94.6 | Very high | 93 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 176.6 | -67.8 | 170.9 | 0 | 0 | 0 | 112 | V230 L231 Y234 P244 T248 K249 G256 V263 F267 | V230-L252 HydrophobicContact CG1-CD2 3.59Å; L231-L252 HydrophobicContact CD2-CB 4.32Å; Y234-L252 HydrophobicContact CD1-CD1 4.05Å; Y234-L252 HydrophobicContact CD2-CD1 4.31Å; Y234-L252 HydrophobicContact CD2-CD2 4.41Å; Y234-L252 HydrophobicContact CG-CD1 3.89Å; Y234-L252 HydrophobicContact CG-CD2 4.24Å; P244-L252 HydrophobicContact CB-CD1 4.44Å; T248-L252 HydrophobicContact CG2-CD1 4.14Å; T248-L252 HydrophobicContact CG2-CG 4.41Å; T248-L252 VanDerWaalsContact O-CG 3.23Å; T248-L252 WeakPolarHBondContact O-CG 3.44Å; T248-L252 PolarHBondContact O-N 3.23Å; K249-L252 PolarHBondContact O-N 3.43Å; L252-G256 PolarHBondContact O-N 3.39Å; L252-V263 HydrophobicContact CB-CG1 4.25Å; L252-V263 HydrophobicContact CD1-CG1 4.43Å; L252-F267 HydrophobicContact CD1-CE2 3.72Å; L252-F267 HydrophobicContact CD1-CZ 3.85Å |
| 253 | A | 94.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 65.8 Ų | 65.8 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K249 E250 G256 G257 I258 V260 V263 | K249-A253 WeakPolarHBondContact O-CB 3.43Å; K249-A253 PolarHBondContact O-N 3.29Å; E250-A253 WeakPolarHBondContact O-CB 3.35Å; E250-A253 PolarHBondContact O-N 2.86Å; A253-G256 PolarHBondContact O-N 3.35Å; A253-G257 WeakPolarHBondContact O-CA 3.31Å; A253-G257 PolarHBondContact O-N 3.43Å; A253-I258 CarbonylContact C-O 3.44Å; A253-I258 WeakPolarHBondContact CA-O 3.15Å; A253-I258 WeakPolarHBondContact CB-O 3.36Å; A253-I258 PolarHBondContact O-N 3Å; A253-I258 VanDerWaalsContact O-O 3.11Å; A253-V260 HydrophobicContact CB-CG2 3.88Å; A253-V263 HydrophobicContact CB-CG2 3.88Å |
| 254 | R | 95.6 | Very high | 93.5 | Very high | 170 Ų | 170 | 61 Ų | 61 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.7 | -46.7 | 177 | -171.1 | -179.2 | 62.8 | 79.4 | -9.8 | 112.2 | E250 E251 G257 | E250-R254 WeakPolarHBondContact O-CB 3.49Å; E250-R254 PolarHBondContact O-N 2.95Å; E251-R254 PolarHBondContact O-N 2.91Å; E251-R254 IonicContact OE1-CZ 2.84Å; E251-R254 IonicContact OE1-NH2 3.14Å; E251-R254 PolarHBondContact OE1-NH2 2.89Å; E251-R254 IonicContact OE2-CZ 2.65Å; E251-R254 VanDerWaalsContact OE2-CZ 3.24Å; E251-R254 IonicContact OE2-NE 2.77Å; E251-R254 PolarHBondContact OE2-NE 3.37Å; E251-R254 VanDerWaalsContact OE2-NE 3.13Å; E251-R254 IonicContact OE2-NH2 3.91Å; E251-R254 PolarHBondContact OE2-NH2 2.95Å; R254-G257 PolarHBondContact O-N 3.47Å |
| 255 | K | 93.1 | Very high | 93.5 | Very high | 108 Ų | 108 | 65.1 Ų | 65.1 | 47% | 0.47 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 177.8 | -79.9 | 173.5 | 164.2 | 144.9 | 0 | 113.3 | V230 E251 | V230-K255 HydrophobicContact CG1-CB 3.77Å; V230-K255 HydrophobicContact CG1-CD 4.42Å; V230-K255 HydrophobicContact CG2-CB 4.2Å; E251-K255 HydrophobicContact CG-CD 4.25Å; E251-K255 WeakPolarHBondContact O-CB 3.32Å; E251-K255 WeakPolarHBondContact O-CG 3.29Å; E251-K255 PolarHBondContact O-N 3.33Å; E251-K255 WeakPolarHBondContact OE1-CD 3.15Å; E251-K255 WeakPolarHBondContact OE1-CE 3.47Å; E251-K255 IonicContact OE1-NZ 2.68Å; E251-K255 PolarHBondContact OE1-NZ 3.36Å |
| 256 | G | 91 | Very high | 93.6 | Very high | 5 Ų | 5 | 64.1 Ų | 64.1 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -85.2 | -10.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A227 L252 A253 I258 | A227-G256 VanDerWaalsContact CB-O 3.28Å; A227-G256 WeakPolarHBondContact CB-O 3.27Å; L252-G256 PolarHBondContact O-N 3.39Å; A253-G256 PolarHBondContact O-N 3.35Å; G256-I258 VanDerWaalsContact C-N 3.27Å; G256-I258 PolarHBondContact O-N 2.95Å |
| 257 | G | 92.9 | Very high | 93.7 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 73% | 0.732 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 35.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A253 R254 | A253-G257 WeakPolarHBondContact O-CA 3.31Å; A253-G257 PolarHBondContact O-N 3.43Å; R254-G257 PolarHBondContact O-N 3.47Å |
| 258 | I | 93.3 | Very high | 93.7 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -127.4 | 168.9 | -178.7 | 58 | 172.4 | 0 | 0 | 0 | 110.2 | F223 A227 L231 A253 G256 Q262 V263 | F223-I258 HydrophobicContact CD1-CG2 4.2Å; F223-I258 HydrophobicContact CD2-CD1 4.4Å; F223-I258 HydrophobicContact CE1-CG2 4.36Å; F223-I258 HydrophobicContact CE2-CD1 4.09Å; F223-I258 HydrophobicContact CZ-CD1 4.34Å; A227-I258 HydrophobicContact CB-CG2 4.17Å; L231-I258 HydrophobicContact CD1-CD1 3.77Å; L231-I258 HydrophobicContact CD2-CD1 4.43Å; L231-I258 HydrophobicContact CG-CD1 4.42Å; A253-I258 CarbonylContact C-O 3.44Å; A253-I258 WeakPolarHBondContact CA-O 3.15Å; A253-I258 WeakPolarHBondContact CB-O 3.36Å; A253-I258 PolarHBondContact O-N 3Å; A253-I258 VanDerWaalsContact O-O 3.11Å; G256-I258 VanDerWaalsContact C-N 3.27Å; G256-I258 PolarHBondContact O-N 2.95Å; I258-Q262 HydrophobicContact CB-CB 4.36Å; I258-V263 HydrophobicContact CD1-CG2 3.63Å; I258-V263 HydrophobicContact CG1-CG2 3.88Å |
| 259 | T | 93.8 | Very high | 93.7 | Very high | 76 Ų | 76 | 55.1 Ų | 55.1 | 47% | 0.466 | 30% | 0.301 | S | S | . | . | trans | -83.6 | 153.6 | -179.7 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | S261 Q262 V263 | T259-S261 PolarHBondContact O-N 3.19Å; T259-Q262 WeakPolarHBondContact O-CA 3.48Å; T259-Q262 VanDerWaalsContact O-CB 3.3Å; T259-Q262 WeakPolarHBondContact O-CB 3.33Å; T259-Q262 PolarHBondContact O-N 3.18Å; T259-Q262 VanDerWaalsContact OG1-CG 3.29Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.24Å; T259-Q262 PolarHBondContact OG1-N 3.3Å; T259-Q262 PolarHBondContact OG1-OE1 3.47Å; T259-V263 PolarHBondContact O-N 3.29Å | ||
| 260 | V | 92.9 | Very high | 93.6 | Very high | 44 Ų | 44 | 54 Ų | 54 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57 | -35 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | K249 E250 A253 V263 S264 | K249-V260 HydrophobicContact CB-CG1 4.02Å; K249-V260 HydrophobicContact CD-CG1 4.46Å; E250-V260 HydrophobicContact CG-CG2 4Å; A253-V260 HydrophobicContact CB-CG2 3.88Å; V260-V263 PolarHBondContact O-N 2.95Å; V260-S264 PolarHBondContact O-N 3.25Å; V260-S264 PolarHBondContact O-OG 3.02Å; V260-S264 VanDerWaalsContact O-OG 3.13Å |
| 261 | S | 92.4 | Very high | 93.5 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 173.6 | -178.5 | 0 | 0 | 0 | 0 | 112.1 | T259 S264 N265 | T259-S261 PolarHBondContact O-N 3.19Å; S261-S264 PolarHBondContact O-N 2.94Å; S261-N265 WeakPolarHBondContact O-CB 3.32Å; S261-N265 VanDerWaalsContact O-CG 3.27Å; S261-N265 PolarHBondContact O-N 3.19Å; S261-N265 PolarHBondContact O-ND2 3.45Å |
| 262 | Q | 91.9 | Very high | 93.3 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 174.2 | -76.9 | 170.7 | -30.1 | 0 | 0 | 111.8 | F223 I258 T259 W266 | F223-Q262 HydrophobicContact CE1-CB 4.19Å; F223-Q262 HydrophobicContact CE1-CG 4.28Å; F223-Q262 HydrophobicContact CZ-CB 3.79Å; F223-Q262 HydrophobicContact CZ-CG 4.28Å; I258-Q262 HydrophobicContact CB-CB 4.36Å; T259-Q262 WeakPolarHBondContact O-CA 3.48Å; T259-Q262 VanDerWaalsContact O-CB 3.3Å; T259-Q262 WeakPolarHBondContact O-CB 3.33Å; T259-Q262 PolarHBondContact O-N 3.18Å; T259-Q262 VanDerWaalsContact OG1-CG 3.29Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.24Å; T259-Q262 PolarHBondContact OG1-N 3.3Å; T259-Q262 PolarHBondContact OG1-OE1 3.47Å; Q262-W266 VanDerWaalsContact O-CB 3.26Å; Q262-W266 WeakPolarHBondContact O-CB 3.35Å; Q262-W266 PolarHBondContact O-N 3.19Å |
| 263 | V | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 173.4 | 178 | 0 | 0 | 0 | 0 | 110.6 | L231 K249 L252 A253 I258 T259 V260 N265 W266 F267 | L231-V263 HydrophobicContact CD2-CG1 3.97Å; L231-V263 HydrophobicContact CD2-CG2 4.22Å; K249-V263 HydrophobicContact CB-CG1 4.15Å; K249-V263 HydrophobicContact CG-CG1 4.19Å; L252-V263 HydrophobicContact CB-CG1 4.25Å; L252-V263 HydrophobicContact CD1-CG1 4.43Å; A253-V263 HydrophobicContact CB-CG2 3.88Å; I258-V263 HydrophobicContact CD1-CG2 3.63Å; I258-V263 HydrophobicContact CG1-CG2 3.88Å; T259-V263 PolarHBondContact O-N 3.29Å; V260-V263 PolarHBondContact O-N 2.95Å; V263-N265 PolarHBondContact O-N 3.39Å; V263-W266 WeakPolarHBondContact O-CB 3.34Å; V263-W266 PolarHBondContact O-N 2.81Å; V263-W266 VanDerWaalsContact O-N 3.09Å; V263-F267 HydrophobicContact CG1-CD2 3.71Å; V263-F267 HydrophobicContact CG1-CE2 3.75Å; V263-F267 WeakPolarHBondContact O-CD2 3.36Å; V263-F267 PolarHBondContact O-N 3.14Å |
| 264 | S | 93.8 | Very high | 92.6 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 179.7 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | V260 S261 W266 F267 G268 | V260-S264 PolarHBondContact O-N 3.25Å; V260-S264 PolarHBondContact O-OG 3.02Å; V260-S264 VanDerWaalsContact O-OG 3.13Å; S261-S264 PolarHBondContact O-N 2.94Å; S264-W266 VanDerWaalsContact C-N 3.33Å; S264-W266 PolarHBondContact O-N 2.96Å; S264-F267 PolarHBondContact O-N 3.38Å; S264-G268 PolarHBondContact O-N 2.8Å |
| 265 | N | 93.2 | Very high | 92.2 | Very high | 97 Ų | 97 | 61.1 Ų | 61.1 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.7 | -37.3 | 176.9 | -74.4 | -39.3 | 0 | 0 | 0 | 112.1 | S261 V263 N269 | S261-N265 WeakPolarHBondContact O-CB 3.32Å; S261-N265 VanDerWaalsContact O-CG 3.27Å; S261-N265 PolarHBondContact O-N 3.19Å; S261-N265 PolarHBondContact O-ND2 3.45Å; V263-N265 PolarHBondContact O-N 3.39Å; N265-N269 WeakPolarHBondContact O-CB 3.39Å; N265-N269 VanDerWaalsContact O-CG 3.28Å; N265-N269 PolarHBondContact O-N 3.2Å; N265-N269 PolarHBondContact O-ND2 3.22Å |
| 266 | W | 94.7 | Very high | 91.8 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -47.7 | 177.7 | -172 | 99.2 | 0 | 0 | 0 | 111.6 | F223 L231 N232 F235 Q262 V263 S264 G268 N269 K270 | F223-W266 AromaticContact CD2-CD1 3.66Å; F223-W266 HydrophobicContact CD2-CG 4.48Å; F223-W266 HydrophobicContact CE2-CB 3.95Å; F223-W266 AromaticContact CE2-CD1 3.34Å; F223-W266 AromaticContact CE2-CG 3.89Å; F223-W266 HydrophobicContact CE2-CG 3.89Å; L231-W266 HydrophobicContact CB-CD2 4.04Å; L231-W266 HydrophobicContact CB-CE3 3.88Å; L231-W266 HydrophobicContact CB-CH2 3.7Å; L231-W266 HydrophobicContact CB-CZ2 3.83Å; L231-W266 HydrophobicContact CB-CZ3 3.73Å; L231-W266 HydrophobicContact CD1-CB 4.29Å; L231-W266 HydrophobicContact CD1-CD2 3.74Å; L231-W266 HydrophobicContact CD1-CE3 4.23Å; L231-W266 HydrophobicContact CD1-CG 3.75Å; L231-W266 HydrophobicContact CD2-CE3 4.43Å; L231-W266 HydrophobicContact CG-CD2 4.39Å; L231-W266 HydrophobicContact CG-CE3 4.43Å; N232-W266 VanDerWaalsContact OD1-CH2 3.31Å; N232-W266 WeakPolarHBondContact OD1-CH2 3.27Å; N232-W266 WeakPolarHBondContact OD1-CZ2 3.02Å; F235-W266 HydrophobicContact CB-CH2 4.3Å; F235-W266 HydrophobicContact CB-CZ3 4.15Å; F235-W266 HydrophobicContact CD2-CZ3 4.35Å; F235-W266 HydrophobicContact CG-CZ3 4.44Å; Q262-W266 VanDerWaalsContact O-CB 3.26Å; Q262-W266 WeakPolarHBondContact O-CB 3.35Å; Q262-W266 PolarHBondContact O-N 3.19Å; V263-W266 WeakPolarHBondContact O-CB 3.34Å; V263-W266 PolarHBondContact O-N 2.81Å; V263-W266 VanDerWaalsContact O-N 3.09Å; S264-W266 VanDerWaalsContact C-N 3.33Å; S264-W266 PolarHBondContact O-N 2.96Å; W266-G268 PolarHBondContact O-N 3.24Å; W266-N269 PolarHBondContact O-N 3.17Å; W266-K270 HydrophobicContact CD2-CB 4.37Å; W266-K270 HydrophobicContact CE3-CB 3.95Å; W266-K270 HydrophobicContact CE3-CG 4.41Å; W266-K270 HydrophobicContact CH2-CB 4.1Å; W266-K270 HydrophobicContact CH2-CD 3.65Å; W266-K270 HydrophobicContact CH2-CG 3.67Å; W266-K270 HydrophobicContact CZ2-CD 3.85Å; W266-K270 HydrophobicContact CZ2-CG 4.27Å; W266-K270 HydrophobicContact CZ3-CB 3.79Å; W266-K270 HydrophobicContact CZ3-CD 4.24Å; W266-K270 HydrophobicContact CZ3-CG 3.75Å; W266-K270 VanDerWaalsContact O-CB 3.29Å; W266-K270 WeakPolarHBondContact O-CB 3.34Å; W266-K270 PolarHBondContact O-N 3.3Å |
| 267 | F | 94.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 67 Ų | 67 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 178.4 | -86.3 | -84.4 | 0 | 0 | 0 | 112.3 | L231 Y234 F235 P244 L252 V263 S264 N269 K270 R271 | L231-F267 HydrophobicContact CD2-CD2 4.33Å; L231-F267 HydrophobicContact CD2-CE2 3.57Å; L231-F267 HydrophobicContact CD2-CZ 4.32Å; Y234-F267 AromaticContact CD1-CE1 3.7Å; Y234-F267 HydrophobicContact CD1-CE1 3.7Å; Y234-F267 AromaticContact CD1-CZ 3.54Å; Y234-F267 HydrophobicContact CD1-CZ 3.54Å; Y234-F267 HydrophobicContact CE1-CE1 4.28Å; Y234-F267 HydrophobicContact CE1-CZ 4.32Å; Y234-F267 HydrophobicContact CG-CZ 4.3Å; F235-F267 HydrophobicContact CB-CE1 3.94Å; F235-F267 AromaticContact CD2-CD1 3.83Å; F235-F267 HydrophobicContact CD2-CD1 3.83Å; F235-F267 AromaticContact CD2-CE1 3.85Å; F235-F267 HydrophobicContact CD2-CE1 3.85Å; F235-F267 HydrophobicContact CG-CE1 4.42Å; P244-F267 HydrophobicContact CG-CD1 4.24Å; P244-F267 HydrophobicContact CG-CD2 4.02Å; P244-F267 HydrophobicContact CG-CE1 4.34Å; P244-F267 HydrophobicContact CG-CE2 4.11Å; P244-F267 HydrophobicContact CG-CG 4.11Å; P244-F267 HydrophobicContact CG-CZ 4.29Å; L252-F267 HydrophobicContact CD1-CE2 3.72Å; L252-F267 HydrophobicContact CD1-CZ 3.85Å; V263-F267 HydrophobicContact CG1-CD2 3.71Å; V263-F267 HydrophobicContact CG1-CE2 3.75Å; V263-F267 WeakPolarHBondContact O-CD2 3.36Å; V263-F267 PolarHBondContact O-N 3.14Å; S264-F267 PolarHBondContact O-N 3.38Å; F267-N269 PolarHBondContact O-N 2.95Å; F267-K270 PolarHBondContact O-N 3.3Å; F267-R271 WeakPolarHBondContact O-CG 2.92Å; F267-R271 PolarHBondContact O-N 3.48Å |
| 268 | G | 93.3 | Very high | 90.1 | Very high | 21 Ų | 21 | 67 Ų | 67 | 22% | 0.216 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S264 W266 I272 | S264-G268 PolarHBondContact O-N 2.8Å; W266-G268 PolarHBondContact O-N 3.24Å; G268-I272 WeakPolarHBondContact O-CG1 3.48Å; G268-I272 PolarHBondContact O-N 2.96Å |
| 269 | N | 92.6 | Very high | 88.8 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 42% | 0.417 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 177.8 | -75.2 | -47.4 | 0 | 0 | 0 | 113 | N265 W266 F267 I272 R273 | N265-N269 WeakPolarHBondContact O-CB 3.39Å; N265-N269 VanDerWaalsContact O-CG 3.28Å; N265-N269 PolarHBondContact O-N 3.2Å; N265-N269 PolarHBondContact O-ND2 3.22Å; W266-N269 PolarHBondContact O-N 3.17Å; F267-N269 PolarHBondContact O-N 2.95Å; N269-I272 PolarHBondContact O-N 2.96Å; N269-R273 WeakPolarHBondContact O-CG 3.33Å; N269-R273 PolarHBondContact O-N 2.94Å |
| 270 | K | 92.3 | Very high | 87.5 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 8% | 0.078 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | -179.3 | -173.6 | 78.5 | -178.4 | -164.5 | 0 | 110.9 | N232 F235 Y236 W266 F267 I272 R273 Y274 E284 | N232-K270 PolarHBondContact OD1-NZ 3.48Å; F235-K270 HydrophobicContact CD1-CG 4Å; F235-K270 HydrophobicContact CD2-CB 4.27Å; F235-K270 HydrophobicContact CD2-CG 3.7Å; F235-K270 HydrophobicContact CE1-CG 3.9Å; F235-K270 HydrophobicContact CE2-CB 4.04Å; F235-K270 HydrophobicContact CE2-CG 3.59Å; F235-K270 HydrophobicContact CG-CG 3.91Å; F235-K270 HydrophobicContact CZ-CB 4.48Å; F235-K270 HydrophobicContact CZ-CG 3.7Å; Y236-K270 PolarHBondContact OH-NZ 2.96Å; W266-K270 HydrophobicContact CD2-CB 4.37Å; W266-K270 HydrophobicContact CE3-CB 3.95Å; W266-K270 HydrophobicContact CE3-CG 4.41Å; W266-K270 HydrophobicContact CH2-CB 4.1Å; W266-K270 HydrophobicContact CH2-CD 3.65Å; W266-K270 HydrophobicContact CH2-CG 3.67Å; W266-K270 HydrophobicContact CZ2-CD 3.85Å; W266-K270 HydrophobicContact CZ2-CG 4.27Å; W266-K270 HydrophobicContact CZ3-CB 3.79Å; W266-K270 HydrophobicContact CZ3-CD 4.24Å; W266-K270 HydrophobicContact CZ3-CG 3.75Å; W266-K270 VanDerWaalsContact O-CB 3.29Å; W266-K270 WeakPolarHBondContact O-CB 3.34Å; W266-K270 PolarHBondContact O-N 3.3Å; F267-K270 PolarHBondContact O-N 3.3Å; K270-I272 PolarHBondContact O-N 3.46Å; K270-R273 PolarHBondContact O-N 3Å; K270-Y274 WeakPolarHBondContact O-CB 3.23Å; K270-Y274 PolarHBondContact O-N 2.83Å; K270-E284 IonicContact NZ-OE2 3.83Å |
| 271 | R | 93.1 | Very high | 86.1 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 174.3 | -73.6 | -166.8 | -57.3 | -94.8 | 0.3 | 112.6 | F235 P242 F267 R273 Y274 K275 | F235-R271 HydrophobicContact CE2-CG 3.81Å; F235-R271 HydrophobicContact CZ-CG 4.44Å; P242-R271 HydrophobicContact CB-CG 4.28Å; P242-R271 HydrophobicContact CG-CG 3.94Å; P242-R271 PolarHBondContact O-NH1 3.47Å; F267-R271 WeakPolarHBondContact O-CG 2.92Å; F267-R271 PolarHBondContact O-N 3.48Å; R271-R273 PolarHBondContact O-N 3.45Å; R271-Y274 PolarHBondContact O-N 3.24Å; R271-K275 WeakPolarHBondContact O-CB 3.49Å; R271-K275 PolarHBondContact O-N 3.5Å |
| 272 | I | 90.5 | Very high | 84.7 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 178.2 | -66 | 167.7 | 0 | 0 | 0 | 110.7 | G268 N269 K270 K276 | G268-I272 WeakPolarHBondContact O-CG1 3.48Å; G268-I272 PolarHBondContact O-N 2.96Å; N269-I272 PolarHBondContact O-N 2.96Å; K270-I272 PolarHBondContact O-N 3.46Å; I272-K276 HydrophobicContact CG2-CD 4.2Å; I272-K276 WeakPolarHBondContact O-CG 3.46Å; I272-K276 PolarHBondContact O-N 3.13Å |
| 273 | R | 89.1 | Confident | 83.4 | Confident | 141 Ų | 141 | 76.7 Ų | 76.7 | 53% | 0.532 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 178.4 | -68.1 | -177.7 | -151.5 | 172.6 | 7.8 | 112.2 | N269 K270 R271 K276 N277 F281 | N269-R273 WeakPolarHBondContact O-CG 3.33Å; N269-R273 PolarHBondContact O-N 2.94Å; K270-R273 PolarHBondContact O-N 3Å; R271-R273 PolarHBondContact O-N 3.45Å; R273-K276 PolarHBondContact O-N 2.91Å; R273-N277 PolarHBondContact O-N 3.37Å; R273-N277 VanDerWaalsContact O-N 3.15Å; R273-F281 HydrophobicContact CB-CE2 4.38Å; R273-F281 HydrophobicContact CB-CZ 4.47Å |
| 274 | Y | 86.6 | Confident | 82.2 | Confident | 44 Ų | 44 | 80.6 Ų | 80.6 | 17% | 0.173 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 178.8 | -174.5 | -97.6 | 0 | 0 | 0 | 111.5 | F235 L239 K270 R271 K276 N277 T278 F281 | F235-Y274 HydrophobicContact CE1-CD2 4.06Å; F235-Y274 HydrophobicContact CE1-CG 4.07Å; F235-Y274 HydrophobicContact CZ-CG 4.13Å; L239-Y274 HydrophobicContact CD2-CD2 4.48Å; L239-Y274 HydrophobicContact CD2-CE1 3.99Å; L239-Y274 HydrophobicContact CD2-CE2 3.94Å; K270-Y274 WeakPolarHBondContact O-CB 3.23Å; K270-Y274 PolarHBondContact O-N 2.83Å; R271-Y274 PolarHBondContact O-N 3.24Å; Y274-K276 VanDerWaalsContact C-N 3.3Å; Y274-K276 PolarHBondContact O-N 3.37Å; Y274-N277 CarbonylContact O-C 3.08Å; Y274-N277 PolarHBondContact O-N 3.29Å; Y274-T278 WeakPolarHBondContact O-CA 3.39Å; Y274-T278 PolarHBondContact O-N 2.63Å; Y274-T278 PolarHBondContact O-OG1 2.76Å; Y274-F281 HydrophobicContact CD2-CB 3.46Å; Y274-F281 VanDerWaalsContact CD2-CB 3.46Å; Y274-F281 HydrophobicContact CD2-CG 4.12Å; Y274-F281 HydrophobicContact CE2-CB 3.67Å |
| 275 | K | 86.4 | Confident | 80.9 | Confident | 165 Ų | 165 | 78.9 Ų | 78.9 | 72% | 0.717 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.1 | -34.5 | 177.4 | -171.3 | 176.9 | 69.9 | 169.9 | 0 | 113.2 | R271 | R271-K275 WeakPolarHBondContact O-CB 3.49Å; R271-K275 PolarHBondContact O-N 3.5Å |
| 276 | K | 85.3 | Confident | 80 | Confident | 159 Ų | 159 | 77.5 Ų | 77.5 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -79.5 | -22.3 | -179.4 | -73.3 | -178.3 | 176.3 | -170.9 | 0 | 113.5 | I272 R273 Y274 | I272-K276 HydrophobicContact CG2-CD 4.2Å; I272-K276 WeakPolarHBondContact O-CG 3.46Å; I272-K276 PolarHBondContact O-N 3.13Å; R273-K276 PolarHBondContact O-N 2.91Å; Y274-K276 VanDerWaalsContact C-N 3.3Å; Y274-K276 PolarHBondContact O-N 3.37Å |
| 277 | N | 77.1 | Confident | 79.1 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | trans | -139.3 | 41.5 | -167.7 | -104.2 | 78.7 | 0 | 0 | 0 | 113.2 | R273 Y274 G279 K280 F281 | R273-N277 PolarHBondContact O-N 3.37Å; R273-N277 VanDerWaalsContact O-N 3.15Å; Y274-N277 CarbonylContact O-C 3.08Å; Y274-N277 PolarHBondContact O-N 3.29Å; N277-G279 VanDerWaalsContact C-N 3.29Å; N277-G279 PolarHBondContact O-N 3.45Å; N277-G279 VanDerWaalsContact O-N 3.12Å; N277-K280 PolarHBondContact O-N 3.02Å; N277-K280 VanDerWaalsContact O-N 3.15Å; N277-F281 HydrophobicContact CB-CD2 3.95Å; N277-F281 HydrophobicContact CB-CE2 3.82Å; N277-F281 WeakPolarHBondContact O-CD2 3.42Å | ||
| 278 | T | 71.8 | Confident | 78 | Confident | 70 Ų | 70 | 82.6 Ų | 82.6 | 43% | 0.429 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -48.7 | -43 | -171.5 | -51.1 | 0 | 0 | 0 | 0 | 114.2 | Y274 K280 F281 Q282 | Y274-T278 WeakPolarHBondContact O-CA 3.39Å; Y274-T278 PolarHBondContact O-N 2.63Å; Y274-T278 PolarHBondContact O-OG1 2.76Å; T278-K280 PolarHBondContact O-N 2.9Å; T278-F281 PolarHBondContact O-N 3.44Å; T278-Q282 PolarHBondContact O-N 3.45Å; T278-Q282 VanDerWaalsContact O-N 3.12Å |
| 279 | G | 66 | Low | 76.7 | Confident | 66 Ų | 66 | 85.3 Ų | 85.3 | 68% | 0.68 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64 | -34.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | N277 | N277-G279 VanDerWaalsContact C-N 3.29Å; N277-G279 PolarHBondContact O-N 3.45Å; N277-G279 VanDerWaalsContact O-N 3.12Å |
| 280 | K | 65.1 | Low | 75.2 | Confident | 153 Ų | 153 | 86.2 Ų | 86.2 | 67% | 0.665 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -80.5 | -31.7 | -180 | -68.1 | -168.4 | 178.6 | -174.1 | 0 | 112.9 | N277 T278 | N277-K280 PolarHBondContact O-N 3.02Å; N277-K280 VanDerWaalsContact O-N 3.15Å; T278-K280 PolarHBondContact O-N 2.9Å |
| 281 | F | 64.3 | Low | 73.7 | Confident | 37 Ų | 37 | 91.2 Ų | 91.2 | 16% | 0.162 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -85.8 | -11.2 | -179.7 | -70.7 | -72.6 | 0 | 0 | 0 | 113 | R273 Y274 N277 T278 E284 A285 | R273-F281 HydrophobicContact CB-CE2 4.38Å; R273-F281 HydrophobicContact CB-CZ 4.47Å; Y274-F281 HydrophobicContact CD2-CB 3.46Å; Y274-F281 VanDerWaalsContact CD2-CB 3.46Å; Y274-F281 HydrophobicContact CD2-CG 4.12Å; Y274-F281 HydrophobicContact CE2-CB 3.67Å; N277-F281 HydrophobicContact CB-CD2 3.95Å; N277-F281 HydrophobicContact CB-CE2 3.82Å; N277-F281 WeakPolarHBondContact O-CD2 3.42Å; T278-F281 PolarHBondContact O-N 3.44Å; F281-E284 WeakPolarHBondContact CD1-OE2 3.28Å; F281-A285 WeakPolarHBondContact O-CB 3.33Å; F281-A285 PolarHBondContact O-N 3.26Å |
| 282 | Q | 63.4 | Low | 72 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 47% | 0.467 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 171.1 | -161.1 | 73.5 | 21.1 | 0 | 0 | 110.7 | T278 E284 A285 T286 | T278-Q282 PolarHBondContact O-N 3.45Å; T278-Q282 VanDerWaalsContact O-N 3.12Å; Q282-E284 PolarHBondContact O-N 2.82Å; Q282-A285 WeakPolarHBondContact O-CB 3.32Å; Q282-A285 PolarHBondContact O-N 2.87Å; Q282-A285 VanDerWaalsContact O-N 3.12Å; Q282-T286 PolarHBondContact O-N 2.76Å; Q282-T286 PolarHBondContact O-OG1 2.91Å |
| 283 | E | 63.9 | Low | 70 | Confident | 147 Ų | 147 | 90.8 Ų | 90.8 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 177.9 | -170.8 | 176.8 | -172.3 | 0 | 0 | 112.4 | T286 M287 | E283-T286 PolarHBondContact O-N 2.87Å; E283-T286 PolarHBondContact O-OG1 2.94Å; E283-M287 PolarHBondContact O-N 2.97Å |
| 284 | E | 69.2 | Low | 68 | Low | 82 Ų | 82 | 88.5 Ų | 88.5 | 38% | 0.383 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 171.6 | -69.3 | -171.8 | -178.5 | 0 | 0 | 111.5 | Y236 K270 F281 Q282 T286 M287 Y288 | Y236-E284 HydrophobicContact CE2-CB 4.3Å; Y236-E284 PolarHBondContact OH-OE2 3.18Å; K270-E284 IonicContact NZ-OE2 3.83Å; F281-E284 WeakPolarHBondContact CD1-OE2 3.28Å; Q282-E284 PolarHBondContact O-N 2.82Å; E284-T286 VanDerWaalsContact C-N 3.35Å; E284-T286 PolarHBondContact O-N 2.74Å; E284-M287 WeakPolarHBondContact O-CB 3.23Å; E284-M287 PolarHBondContact O-N 2.98Å; E284-Y288 VanDerWaalsContact O-CD2 3.27Å; E284-Y288 WeakPolarHBondContact O-CD2 3.34Å; E284-Y288 PolarHBondContact O-N 3.25Å; E284-Y288 VanDerWaalsContact O-N 3.14Å |
| 285 | A | 66.1 | Low | 66.1 | Low | 4 Ų | 4 | 90.1 Ų | 90.1 | 3% | 0.033 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y236 L239 F281 Q282 M287 Y288 T289 | Y236-A285 HydrophobicContact CD1-CB 3.54Å; Y236-A285 HydrophobicContact CE1-CB 3.88Å; Y236-A285 HydrophobicContact CG-CB 4.19Å; L239-A285 HydrophobicContact CD1-CB 4.03Å; F281-A285 WeakPolarHBondContact O-CB 3.33Å; F281-A285 PolarHBondContact O-N 3.26Å; Q282-A285 WeakPolarHBondContact O-CB 3.32Å; Q282-A285 PolarHBondContact O-N 2.87Å; Q282-A285 VanDerWaalsContact O-N 3.12Å; A285-M287 VanDerWaalsContact C-N 3.33Å; A285-M287 PolarHBondContact O-N 3.11Å; A285-Y288 PolarHBondContact O-N 3.37Å; A285-T289 PolarHBondContact O-N 3.22Å; A285-T289 PolarHBondContact O-OG1 2.95Å |
| 286 | T | 74.9 | Confident | 63.9 | Low | 69 Ų | 69 | 88.3 Ų | 88.3 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 175.4 | -16.1 | 0 | 0 | 0 | 0 | 110.9 | Q282 E283 E284 Y288 T289 E290 | Q282-T286 PolarHBondContact O-N 2.76Å; Q282-T286 PolarHBondContact O-OG1 2.91Å; E283-T286 PolarHBondContact O-N 2.87Å; E283-T286 PolarHBondContact O-OG1 2.94Å; E284-T286 VanDerWaalsContact C-N 3.35Å; E284-T286 PolarHBondContact O-N 2.74Å; T286-Y288 PolarHBondContact O-N 2.85Å; T286-T289 PolarHBondContact O-N 2.95Å; T286-E290 WeakPolarHBondContact O-CG 3.46Å; T286-E290 PolarHBondContact O-N 3.35Å |
| 287 | M | 75.9 | Confident | 61.6 | Low | 97 Ų | 97 | 89.6 Ų | 89.6 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 177.7 | -78.3 | -76.3 | 140.6 | 0 | 0 | 113.7 | E283 E284 A285 K291 | E283-M287 PolarHBondContact O-N 2.97Å; E284-M287 WeakPolarHBondContact O-CB 3.23Å; E284-M287 PolarHBondContact O-N 2.98Å; A285-M287 VanDerWaalsContact C-N 3.33Å; A285-M287 PolarHBondContact O-N 3.11Å; M287-K291 VanDerWaalsContact O-CG 3.3Å; M287-K291 WeakPolarHBondContact O-CG 3.41Å; M287-K291 PolarHBondContact O-N 3.33Å |
| 288 | Y | 71.6 | Confident | 59.8 | Low | 52 Ų | 52 | 92.3 Ų | 92.3 | 20% | 0.204 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -73.5 | -34 | 177.3 | -81.9 | -85.7 | 0 | 0 | 0 | 112.1 | N232 Y236 E284 A285 T286 K291 T292 | N232-Y288 HydrophobicContact CB-CE1 3.89Å; N232-Y288 HydrophobicContact CB-CE2 4.06Å; N232-Y288 PolarHBondContact ND2-OH 3.12Å; Y236-Y288 AromaticContact CD2-CD2 3.42Å; Y236-Y288 HydrophobicContact CD2-CD2 3.42Å; Y236-Y288 VanDerWaalsContact CD2-CD2 3.42Å; Y236-Y288 HydrophobicContact CD2-CE2 4.07Å; Y236-Y288 AromaticContact CD2-CG 3.73Å; Y236-Y288 HydrophobicContact CD2-CG 3.73Å; Y236-Y288 AromaticContact CE2-CD2 3.53Å; Y236-Y288 HydrophobicContact CE2-CD2 3.53Å; Y236-Y288 AromaticContact CE2-CE2 3.82Å; Y236-Y288 HydrophobicContact CE2-CE2 3.82Å; Y236-Y288 HydrophobicContact CE2-CG 4.3Å; E284-Y288 VanDerWaalsContact O-CD2 3.27Å; E284-Y288 WeakPolarHBondContact O-CD2 3.34Å; E284-Y288 PolarHBondContact O-N 3.25Å; E284-Y288 VanDerWaalsContact O-N 3.14Å; A285-Y288 PolarHBondContact O-N 3.37Å; T286-Y288 PolarHBondContact O-N 2.85Å; Y288-K291 PolarHBondContact O-N 3.2Å; Y288-T292 PolarHBondContact O-N 3.36Å; Y288-T292 PolarHBondContact O-OG1 2.85Å |
| 289 | T | 66.4 | Low | 58.3 | Low | 79 Ų | 79 | 101 Ų | 101 | 49% | 0.485 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 177 | -44.8 | 0 | 0 | 0 | 0 | 111.8 | A285 T286 T292 S293 | A285-T289 PolarHBondContact O-N 3.22Å; A285-T289 PolarHBondContact O-OG1 2.95Å; T286-T289 PolarHBondContact O-N 2.95Å; T289-T292 WeakPolarHBondContact CA-OG1 3.49Å; T289-T292 PolarHBondContact O-OG1 3.06Å; T289-S293 PolarHBondContact O-N 3.21Å; T289-S293 PolarHBondContact O-OG 3.26Å |
| 290 | E | 61 | Low | 56.5 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 45% | 0.453 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 174.7 | -72.7 | 169.6 | -168.6 | 0 | 0 | 112.6 | T286 S293 T294 | T286-E290 WeakPolarHBondContact O-CG 3.46Å; T286-E290 PolarHBondContact O-N 3.35Å; E290-S293 PolarHBondContact O-N 3.31Å; E290-T294 WeakPolarHBondContact O-CG2 2.92Å; E290-T294 PolarHBondContact O-N 3.03Å; E290-T294 PolarHBondContact O-OG1 3.49Å |
| 291 | K | 59.5 | Low | 55 | Low | 122 Ų | 122 | 100.4 Ų | 100.4 | 53% | 0.53 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 177.1 | -76.1 | 173.2 | -178.8 | 179 | 0 | 113.2 | M287 Y288 S293 T294 A295 | M287-K291 VanDerWaalsContact O-CG 3.3Å; M287-K291 WeakPolarHBondContact O-CG 3.41Å; M287-K291 PolarHBondContact O-N 3.33Å; Y288-K291 PolarHBondContact O-N 3.2Å; K291-S293 VanDerWaalsContact C-N 3.27Å; K291-S293 PolarHBondContact O-N 3.09Å; K291-T294 WeakPolarHBondContact CA-OG1 3.3Å; K291-T294 PolarHBondContact O-N 3.13Å; K291-T294 PolarHBondContact O-OG1 3.45Å; K291-T294 VanDerWaalsContact O-OG1 3.13Å; K291-A295 PolarHBondContact O-N 3.44Å; K291-A295 VanDerWaalsContact O-N 3.09Å |
| 292 | T | 57 | Low | 53.5 | Low | 66 Ų | 66 | 102.7 Ų | 102.7 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.1 | -29.9 | 172 | 29.6 | 0 | 0 | 0 | 0 | 112.9 | Y288 T289 T296 | Y288-T292 PolarHBondContact O-N 3.36Å; Y288-T292 PolarHBondContact O-OG1 2.85Å; T289-T292 WeakPolarHBondContact CA-OG1 3.49Å; T289-T292 PolarHBondContact O-OG1 3.06Å; T292-T296 PolarHBondContact O-OG1 2.86Å |
| 293 | S | 49 | Very low | 51.9 | Low | 79 Ų | 79 | 101.8 Ų | 101.8 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77.2 | -31.2 | 178.6 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | T289 E290 K291 | T289-S293 PolarHBondContact O-N 3.21Å; T289-S293 PolarHBondContact O-OG 3.26Å; E290-S293 PolarHBondContact O-N 3.31Å; K291-S293 VanDerWaalsContact C-N 3.27Å; K291-S293 PolarHBondContact O-N 3.09Å |
| 294 | T | 47.2 | Very low | 50.6 | Low | 92 Ų | 92 | 103.6 Ų | 103.6 | 56% | 0.564 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -85.4 | -29.8 | 179.5 | 44.7 | 0 | 0 | 0 | 0 | 113.4 | E290 K291 T296 K297 | E290-T294 WeakPolarHBondContact O-CG2 2.92Å; E290-T294 PolarHBondContact O-N 3.03Å; E290-T294 PolarHBondContact O-OG1 3.49Å; K291-T294 WeakPolarHBondContact CA-OG1 3.3Å; K291-T294 PolarHBondContact O-N 3.13Å; K291-T294 PolarHBondContact O-OG1 3.45Å; K291-T294 VanDerWaalsContact O-OG1 3.13Å; T294-T296 PolarHBondContact O-N 3.15Å; T294-K297 PolarHBondContact O-N 3.43Å |
| 295 | A | 45.9 | Very low | 49 | Very low | 79 Ų | 79 | 105 Ų | 105 | 65% | 0.653 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.1 | -24.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K291 K297 | K291-A295 PolarHBondContact O-N 3.44Å; K291-A295 VanDerWaalsContact O-N 3.09Å; A295-K297 VanDerWaalsContact C-N 3.3Å; A295-K297 PolarHBondContact O-N 3.03Å |
| 296 | T | 41.6 | Very low | 47.3 | Very low | 126 Ų | 126 | 109.9 Ų | 109.9 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -6.9 | 176.7 | -52.2 | 0 | 0 | 0 | 0 | 112.8 | T292 T294 | T292-T296 PolarHBondContact O-OG1 2.86Å; T294-T296 PolarHBondContact O-N 3.15Å |
| 297 | K | 36.3 | Very low | 45.4 | Very low | 187 Ų | 187 | 111.8 Ų | 111.8 | 81% | 0.813 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 36.5 | -174 | -154.8 | 177.6 | 178.7 | -179.4 | 0 | 113.9 | T294 A295 | T294-K297 PolarHBondContact O-N 3.43Å; A295-K297 VanDerWaalsContact C-N 3.3Å; A295-K297 PolarHBondContact O-N 3.03Å |
| 298 | V | 40.4 | Very low | 43.2 | Very low | 135 Ų | 135 | 116.1 Ų | 116.1 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | trans | -108.5 | 72.4 | 167.2 | -173.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 299 | R | 38.8 | Very low | 41.3 | Very low | 252 Ų | 252 | 119 Ų | 119 | 95% | 0.951 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -151.4 | 85.8 | 152.1 | -168.9 | 123.8 | 178.7 | -121.2 | 2.1 | 107.9 | ||
| 300 | G | 28.8 | Very low | 40.1 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 167.9 | 123.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 301 | S | 33.3 | Very low | 38.7 | Very low | 129 Ų | 129 | 122.8 Ų | 122.8 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -62.8 | 152.7 | -166.2 | -59.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 302 | G | 33 | Very low | 37.7 | Very low | 85 Ų | 85 | 122.4 Ų | 122.4 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | 91.7 | 123.6 | 126.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 303 | G | 31 | Very low | 36.9 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 150.6 | 118.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 304 | Q | 35.9 | Very low | 35.9 | Very low | 185 Ų | 185 | 125.4 Ų | 125.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -79.4 | 163.4 | -174.3 | -66.7 | 176.7 | 24.1 | 0 | 0 | 114.7 | ||||
| 305 | S | 34.3 | Very low | 35.3 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | 60 | 119.1 | 145.7 | 56.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 306 | S | 30.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | 174 | 140 | 96 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 307 | C | 36.3 | Very low | 34.1 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 73% | 0.73 | 82% | 0.823 | S | S | * | * | trans | -80.5 | 149.1 | 173.1 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 308 | Q | 28.6 | Very low | 34.3 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -166.3 | 152.8 | 146.2 | -111 | 162.6 | 81 | 0 | 0 | 114.5 | ||||
| 309 | S | 31.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -80.9 | 161.1 | -153.3 | -52.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 310 | T | 41.6 | Very low | 34.8 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -58.2 | 156.5 | 163.9 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 311 | P | 32.3 | Very low | 34.9 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -125.9 | 139.2 | 142.5 | 33.6 | -20.2 | 0 | 0 | 0 | 112.9 | ||||
| 312 | S | 37.7 | Very low | 34.7 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -87.7 | 150.7 | 156.9 | -62.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 313 | P | 41.3 | Very low | 34.7 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | -147.4 | 176.7 | 103.4 | 32.8 | -13.1 | 0 | 0 | 0 | 110.8 | |||||
| 314 | G | 27.9 | Very low | 35.1 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | 172.3 | 151.7 | 4.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 315 | S | 33.3 | Very low | 35.2 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 8 | 134.9 | 159.9 | -160.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 316 | C | 29.4 | Very low | 35.5 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | trans | -158.2 | 126.8 | 132.7 | -142 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 317 | G | 33.2 | Very low | 36.1 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -85.4 | -172.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 318 | P | 40.9 | Very low | 36.5 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -132.3 | 146.1 | 160.2 | 34.4 | -18.1 | 0 | 0 | 0 | 114.7 | ||||
| 319 | F | 28.4 | Very low | 37.3 | Very low | 211 Ų | 211 | 119.4 Ų | 119.4 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -112.6 | 168.5 | 164.3 | -92.8 | -54.7 | 0 | 0 | 0 | 109.4 | ||||
| 320 | P | 61.8 | Low | 38 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | -109.5 | -177.8 | -128.7 | 41.6 | -34.7 | 0 | 0 | 0 | 113.4 | |||||
| 321 | L | 30 | Very low | 37.9 | Very low | 154 Ų | 154 | 117 Ų | 117 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | 173.3 | 137 | 127.2 | -89.6 | 165.6 | 0 | 0 | 0 | 111.6 | |||||
| 322 | T | 30.7 | Very low | 38.6 | Very low | 129 Ų | 129 | 120.2 Ų | 120.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 57.3 | 138.4 | 139.9 | -156.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 323 | S | 32.4 | Very low | 38.8 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | cis | -157.2 | 134.2 | 28.5 | -177 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 324 | G | 39.5 | Very low | 38.8 | Very low | 82 Ų | 82 | 116.1 Ų | 116.1 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | -83.9 | 112.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 325 | G | 38.4 | Very low | 39.7 | Very low | 60 Ų | 60 | 115.9 Ų | 115.9 | 62% | 0.619 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -160.8 | -33 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M327 | G325-M327 PolarHBondContact O-N 3.31Š|
| 326 | D | 39.6 | Very low | 40.3 | Very low | 138 Ų | 138 | 116.3 Ų | 116.3 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 7.9 | -170.4 | -73.6 | -40 | 0 | 0 | 0 | 116 | T330 | D326-T330 PolarHBondContact O-OG1 2.85Š|
| 327 | M | 44 | Very low | 40.6 | Very low | 136 Ų | 136 | 113 Ų | 113 | 67% | 0.67 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -77.1 | -27.9 | -177.4 | -75.6 | -102.3 | -75.8 | 0 | 0 | 113.1 | G325 L331 | G325-M327 PolarHBondContact O-N 3.31Å; M327-L331 HydrophobicContact CB-CD1 4.37Å; M327-L331 HydrophobicContact CE-CD1 4.38Å; M327-L331 WeakPolarHBondContact O-CB 3.32Å; M327-L331 WeakPolarHBondContact O-CD1 3.39Å; M327-L331 PolarHBondContact O-N 3.24Å |
| 328 | V | 45.3 | Very low | 40.8 | Very low | 121 Ų | 121 | 117.7 Ų | 117.7 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77 | -32.4 | -166.1 | -178.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 329 | L | 44.3 | Very low | 40.6 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 65% | 0.649 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -84.7 | -34.3 | 179.3 | -147.9 | 75.8 | 0 | 0 | 0 | 112.4 | R332 T333 | L329-R332 PolarHBondContact O-N 3.08Å; L329-T333 PolarHBondContact O-OG1 3.38Å |
| 330 | T | 46.8 | Very low | 41.2 | Very low | 88 Ų | 88 | 112 Ų | 112 | 54% | 0.54 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -69.7 | -38.2 | 179.5 | -46.5 | 0 | 0 | 0 | 0 | 111.8 | D326 L334 | D326-T330 PolarHBondContact O-OG1 2.85Å; T330-L334 HydrophobicContact CG2-CD1 4.46Å; T330-L334 PolarHBondContact O-N 3.48Å |
| 331 | L | 39.4 | Very low | 40 | Very low | 107 Ų | 107 | 113 Ų | 113 | 56% | 0.56 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.8 | -36.8 | 176.4 | -94.4 | 151.9 | 0 | 0 | 0 | 112.7 | M327 T333 L334 A335 | M327-L331 HydrophobicContact CB-CD1 4.37Å; M327-L331 HydrophobicContact CE-CD1 4.38Å; M327-L331 WeakPolarHBondContact O-CB 3.32Å; M327-L331 WeakPolarHBondContact O-CD1 3.39Å; M327-L331 PolarHBondContact O-N 3.24Å; L331-T333 VanDerWaalsContact C-N 3.3Å; L331-T333 PolarHBondContact O-N 2.8Å; L331-L334 PolarHBondContact O-N 3.39Å; L331-A335 WeakPolarHBondContact O-CB 3.15Å; L331-A335 PolarHBondContact O-N 3.06Å; L331-A335 VanDerWaalsContact O-N 3.11Å |
| 332 | R | 47.1 | Very low | 40.2 | Very low | 189 Ų | 189 | 109.4 Ų | 109.4 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.3 | -33 | -178.2 | -148.8 | 174.9 | -172.3 | 153.9 | 1.7 | 112.2 | L329 F336 | L329-R332 PolarHBondContact O-N 3.08Å; R332-F336 HydrophobicContact CG-CE2 4.49Å; R332-F336 WeakPolarHBondContact O-CD2 3.19Å; R332-F336 VanDerWaalsContact O-CE2 3.27Å; R332-F336 WeakPolarHBondContact O-CE2 3.22Å |
| 333 | T | 42.4 | Very low | 40.2 | Very low | 81 Ų | 81 | 107 Ų | 107 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -79.1 | -29.3 | 179.5 | -51.5 | 0 | 0 | 0 | 0 | 112.6 | L329 L331 | L329-T333 PolarHBondContact O-OG1 3.38Å; L331-T333 VanDerWaalsContact C-N 3.3Å; L331-T333 PolarHBondContact O-N 2.8Å |
| 334 | L | 40.7 | Very low | 40 | Very low | 81 Ų | 81 | 108.6 Ų | 108.6 | 42% | 0.424 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -82.4 | -26.1 | 178.3 | -69.7 | 176.4 | 0 | 0 | 0 | 113.7 | T330 L331 F336 L337 | T330-L334 HydrophobicContact CG2-CD1 4.46Å; T330-L334 PolarHBondContact O-N 3.48Å; L331-L334 PolarHBondContact O-N 3.39Å; L334-F336 PolarHBondContact O-N 3.24Å; L334-L337 PolarHBondContact O-N 3.5Å |
| 335 | A | 46.3 | Very low | 39.7 | Very low | 70 Ų | 70 | 110.1 Ų | 110.1 | 58% | 0.579 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -64.8 | -22.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L331 L337 | L331-A335 WeakPolarHBondContact O-CB 3.15Å; L331-A335 PolarHBondContact O-N 3.06Å; L331-A335 VanDerWaalsContact O-N 3.11Å; A335-L337 VanDerWaalsContact C-N 3.3Å; A335-L337 PolarHBondContact O-N 3.05Å |
| 336 | F | 45.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 115.1 Ų | 115.1 | 58% | 0.579 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -81.4 | 0.8 | -179.5 | -72.7 | -73.8 | 0 | 0 | 0 | 115 | R332 L334 | R332-F336 HydrophobicContact CG-CE2 4.49Å; R332-F336 WeakPolarHBondContact O-CD2 3.19Å; R332-F336 VanDerWaalsContact O-CE2 3.27Å; R332-F336 WeakPolarHBondContact O-CE2 3.22Å; L334-F336 PolarHBondContact O-N 3.24Å |
| 337 | L | 35.6 | Very low | 38.9 | Very low | 63 Ų | 63 | 117 Ų | 117 | 33% | 0.33 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -99.6 | 3.8 | -178.6 | -69.1 | 174.6 | 0 | 0 | 0 | 114.4 | K136 L334 A335 | K136-L337 HydrophobicContact CD-CD2 3.62Å; K136-L337 HydrophobicContact CG-CD2 4.07Å; L334-L337 PolarHBondContact O-N 3.5Å; A335-L337 VanDerWaalsContact C-N 3.3Å; A335-L337 PolarHBondContact O-N 3.05Å |
| 338 | Q | 38.3 | Very low | 38.4 | Very low | 164 Ų | 164 | 116 Ų | 116 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -96.1 | 128.5 | 179 | -161.6 | 165.4 | -7.4 | 0 | 0 | 110.5 | ||
| 339 | P | 37.1 | Very low | 37.8 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149.6 | 176.6 | 28.3 | -31.8 | 0 | 0 | 0 | 111 | ||
| 340 | P | 40.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 116 Ų | 116 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -72 | 140.5 | 179.2 | 30.2 | -32.7 | 0 | 0 | 0 | 110.5 | ||
| 341 | P | 37.4 | Very low | 36.3 | Very low | 124 Ų | 124 | 120.3 Ų | 120.3 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 147.1 | 162.7 | 28.9 | -28.9 | 0 | 0 | 0 | 109.6 | ||
| 342 | G | 33 | Very low | 35.8 | Very low | 80 Ų | 80 | 120.1 Ų | 120.1 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 162.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 343 | G | 31.2 | Very low | 35 | Very low | 79 Ų | 79 | 115 Ų | 115 | 81% | 0.814 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 161.9 | -159 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 344 | V | 29.2 | Very low | 34.3 | Very low | 139 Ų | 139 | 123 Ų | 123 | 84% | 0.842 | 72% | 0.724 | S | S | * | * | trans | -140.4 | 123.2 | 146.1 | -176.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 345 | C | 32.3 | Very low | 33.9 | Very low | 114 Ų | 114 | 127.4 Ų | 127.4 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -78.3 | 124 | 175 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 346 | L | 29 | Very low | 33 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | trans | -143.1 | 125.5 | 158.7 | -74.2 | 177.8 | 0 | 0 | 0 | 109.9 | ||||
| 347 | Q | 32.6 | Very low | 32.3 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -70.1 | 163.7 | 178.9 | -88.3 | -167.4 | -10.8 | 0 | 0 | 113.5 | ||||
| 348 | P | 32 | Very low | 32.1 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -97.1 | 158.7 | -175.3 | 37.4 | -31.5 | 0 | 0 | 0 | 113.6 | ||||
| 349 | P | 32.7 | Very low | 31.8 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | trans | -116.8 | 126.3 | 153.1 | 31.7 | -18.1 | 0 | 0 | 0 | 113.2 | ||||
| 350 | T | 29.7 | Very low | 32.1 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 32 | 116.5 | 134.5 | 59.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 351 | H | 30.6 | Very low | 32 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | 39.2 | 110.4 | 123.4 | -149.4 | -94.9 | 0 | 0 | 0 | 119 | |||||
| 352 | S | 30 | Very low | 32.4 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | trans | -150.6 | 118.9 | 147 | 41.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 353 | S | 29.2 | Very low | 33.1 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 56% | 0.559 | 79% | 0.794 | S | S | * | * | trans | -71.5 | 139 | 171.6 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 354 | W | 28.1 | Very low | 33.3 | Very low | 249 Ų | 249 | 140.2 Ų | 140.2 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -115.6 | 115.6 | 159.6 | -77 | 94.2 | 0 | 0 | 0 | 110.1 | ||||
| 355 | Q | 31.4 | Very low | 33.7 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 151.1 | -176 | -71.8 | 173.9 | -6.7 | 0 | 0 | 111.9 | ||
| 356 | R | 28.5 | Very low | 34.5 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 123.7 | 174.5 | 179.9 | -176.9 | -66.5 | 168.8 | -2.3 | 110.7 | ||
| 357 | A | 29.6 | Very low | 35 | Very low | 103 Ų | 103 | 137 Ų | 137 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 134.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 358 | T | 32.3 | Very low | 35.2 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -136.2 | 141.1 | 174.2 | -43.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 359 | A | 31.7 | Very low | 35.4 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | 154.2 | 163.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 360 | P | 44 | Very low | 35.7 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | cis | -132.9 | 170.5 | -14.3 | 22.4 | 1.6 | 0 | 0 | 0 | 114.8 | ||||
| 361 | Q | 38.3 | Very low | 35.9 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -116.7 | 152.9 | 162.1 | -83 | -85.4 | -18.5 | 0 | 0 | 109.6 | ||||
| 362 | P | 44.9 | Very low | 36.3 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -95.4 | 173.9 | 178.8 | 38.3 | -31.7 | 0 | 0 | 0 | 114.1 | ||||
| 363 | P | 48.5 | Very low | 36.4 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -114.9 | -173.7 | -141.4 | 43.3 | -36.1 | 0 | 0 | 0 | 116.8 | ||||
| 364 | S | 34.5 | Very low | 36.7 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 101.4 | 136.3 | 170 | 72.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 365 | S | 38.2 | Very low | 37.2 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -165.5 | 174.6 | 2.5 | -103.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 366 | P | 49.1 | Very low | 37.6 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -103 | 155.7 | -150.2 | 38.6 | -33.4 | 0 | 0 | 0 | 116.1 | ||||
| 367 | A | 38.6 | Very low | 38.2 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -147.3 | 135.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 368 | G | 36.8 | Very low | 39.1 | Very low | 80 Ų | 80 | 121.3 Ų | 121.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | cis | 150.4 | 107.2 | 16.7 | 0 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 369 | D | 35.7 | Very low | 39.4 | Very low | 163 Ų | 163 | 126 Ų | 126 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -80.2 | 156.9 | -167.7 | -155.8 | 0.6 | 0 | 0 | 0 | 112.5 | ||||
| 370 | S | 40.9 | Very low | 39.8 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -80.3 | 137.5 | -171.5 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 371 | G | 32.7 | Very low | 39.6 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -143.1 | 118.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 372 | S | 39.5 | Very low | 39.7 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -84.3 | 142.8 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 373 | F | 32.8 | Very low | 39.4 | Very low | 181 Ų | 181 | 126 Ų | 126 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -176 | 129.2 | 139.5 | -125.2 | -108.2 | 0 | 0 | 0 | 112.1 | ||||
| 374 | N | 35.6 | Very low | 38.8 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 66% | 0.663 | 82% | 0.817 | S | S | * | * | trans | 29.8 | 145.6 | 142.4 | -59.5 | -9.5 | 0 | 0 | 0 | 120 | ||||
| 375 | S | 38.3 | Very low | 39.1 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | cis | 178.9 | 160.9 | 31 | 21.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 376 | D | 38.3 | Very low | 39.2 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | trans | 74.5 | 122.3 | 141.3 | -91.2 | -46.5 | 0 | 0 | 0 | 124.1 | ||||
| 377 | V | 41.9 | Very low | 38.4 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | 73.6 | 127 | 125.4 | 127.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 378 | S | 48.5 | Very low | 38.4 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | 60 | 134.8 | 151 | -53.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 379 | N | 39.8 | Very low | 38.5 | Very low | 230 Ų | 230 | 134.3 Ų | 134.3 | 100% | 1.23 | 81% | 0.811 | S | S | * | * | cis | -164.9 | 0 | 40.7 | -170.1 | 36.8 | 0 | 0 | 0 | 108.6 |
Retrieved 379 of 379 residues in 203.7 ms
(Link to these results)