| 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 | 32.8 | Very low | 32.2 | Very low | 239 Ų | 239 | 149.5 Ų | 149.5 | 100% | 1.177 | 89% | 0.889 | S | S | * | * | 0 | 137.9 | 0 | -73.3 | -82.9 | -158.7 | 0 | 0 | 108.1 | |||||
| 2 | P | 38.8 | Very low | 32.3 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 88% | 0.879 | S | S | * | * | cis | -114.2 | 137.4 | -25.8 | 32.2 | -15.2 | 0 | 0 | 0 | 111.3 | ||||
| 3 | K | 31.3 | Very low | 32.5 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 85% | 0.848 | 88% | 0.881 | S | S | * | * | 68.8 | 143.1 | 94.6 | -80.4 | -173.3 | 171.2 | 174.9 | 0 | 117 | |||||
| 4 | K | 33.3 | Very low | 32.6 | Very low | 210 Ų | 210 | 143.4 Ų | 143.4 | 91% | 0.913 | 85% | 0.845 | S | S | * | * | trans | 96.4 | 130.6 | 158.5 | -60.6 | -178.9 | 177.5 | 177.1 | 0 | 113.9 | ||||
| 5 | G | 32.3 | Very low | 32.7 | Very low | 75 Ų | 75 | 140.9 Ų | 140.9 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | cis | -178.5 | 153.2 | 4.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 6 | A | 30.2 | Very low | 32.8 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 85% | 0.851 | 84% | 0.843 | S | S | * | * | trans | -63.1 | 151.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 7 | K | 30.9 | Very low | 33.2 | Very low | 218 Ų | 218 | 132.2 Ų | 132.2 | 95% | 0.948 | 81% | 0.81 | S | S | * | * | trans | -142.7 | 114 | 143.4 | -113.8 | 178.8 | -179.4 | 179.9 | 0 | 110.2 | ||||
| 8 | K | 30.6 | Very low | 34.3 | Very low | 217 Ų | 217 | 129.9 Ų | 129.9 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | trans | -79.2 | 146.9 | 163.4 | -110.8 | 178.8 | 174.6 | 178.9 | 0 | 108.6 | ||||
| 9 | G | 30.8 | Very low | 35.3 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | 144.7 | 128.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 10 | G | 33 | Very low | 36.4 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | cis | -159.3 | 146.4 | -1.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 11 | A | 29.8 | Very low | 37.3 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | trans | -78.5 | 141.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 12 | G | 33.5 | Very low | 38.5 | Very low | 74 Ų | 74 | 127.3 Ų | 127.3 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | 141.7 | 70.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 13 | K | 35.9 | Very low | 39.6 | Very low | 210 Ų | 210 | 128.1 Ų | 128.1 | 91% | 0.913 | 75% | 0.746 | S | S | * | * | trans | -166.2 | 70.8 | 152 | -109 | 179.4 | -175.5 | -175.2 | 0 | 109.1 | ||||
| 14 | Q | 32.6 | Very low | 41.1 | Very low | 79 Ų | 79 | 123 Ų | 123 | 37% | 0.369 | 73% | 0.728 | S | S | . | * | trans | -149.8 | 76.9 | 164.3 | -79.3 | -166.7 | -7.4 | 0 | 0 | 108.4 | M17 | Q14-M17 HydrophobicContact CG-SD 4.39Š| ||
| 15 | A | 34.9 | Very low | 42.6 | Very low | 106 Ų | 106 | 119 Ų | 119 | 88% | 0.876 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -138.1 | 104.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||
| 16 | G | 34.9 | Very low | 44.1 | Very low | 77 Ų | 77 | 121.2 Ų | 121.2 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 108.6 | 77.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 17 | M | 38.5 | Very low | 45.9 | Very low | 57 Ų | 57 | 121.4 Ų | 121.4 | 28% | 0.281 | 68% | 0.683 | S | S | . | * | trans | -117.8 | 145.2 | 170.8 | -63.6 | -68.7 | -79.2 | 0 | 0 | 107.3 | Q14 E21 R22 | Q14-M17 HydrophobicContact CG-SD 4.39Å; M17-E21 HydrophobicContact CE-CB 3.25Å; M17-E21 WeakPolarHBondContact CE-O 3.41Å; M17-E21 HydrophobicContact SD-CB 4.21Å; M17-R22 HydrophobicContact CE-CB 3.51Å; M17-R22 HydrophobicContact CE-CG 3.8Å; M17-R22 HydrophobicContact CG-CG 4.43Å | ||
| 18 | T | 52.6 | Low | 47.6 | Very low | 92 Ų | 92 | 116.7 Ų | 116.7 | 56% | 0.564 | 66% | 0.664 | S | S | * | * | trans | -77.2 | 141.7 | 140.9 | 38.4 | 0 | 0 | 0 | 0 | 107.8 | E20 E21 | T18-E20 PolarHBondContact O-N 3.3Å; T18-E21 PolarHBondContact O-N 3.28Å; T18-E21 VanDerWaalsContact O-N 3.14Å | ||
| 19 | E | 54.1 | Low | 49.3 | Very low | 178 Ų | 178 | 112.8 Ų | 112.8 | 83% | 0.832 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -57.2 | -18.8 | -169.6 | -73 | 179.6 | 145.2 | 0 | 0 | 114.8 | ||
| 20 | E | 57.4 | Low | 51.2 | Low | 155 Ų | 155 | 111.2 Ų | 111.2 | 72% | 0.724 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.1 | -32.4 | 178.2 | -64.5 | -177.9 | 156.2 | 0 | 0 | 113.8 | T18 R22 L24 | T18-E20 PolarHBondContact O-N 3.3Å; E20-R22 VanDerWaalsContact C-N 3.31Å; E20-R22 PolarHBondContact O-N 3.47Å; E20-L24 PolarHBondContact O-N 3.13Å |
| 21 | E | 56 | Low | 53 | Low | 109 Ų | 109 | 112 Ų | 112 | 51% | 0.509 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -76.5 | -20 | -175.5 | -66.2 | -179.4 | 160.7 | 0 | 0 | 112.5 | M17 T18 Y25 | M17-E21 HydrophobicContact CE-CB 3.25Å; M17-E21 WeakPolarHBondContact CE-O 3.41Å; M17-E21 HydrophobicContact SD-CB 4.21Å; T18-E21 PolarHBondContact O-N 3.28Å; T18-E21 VanDerWaalsContact O-N 3.14Å; E21-Y25 PolarHBondContact O-N 3.44Å |
| 22 | R | 57.2 | Low | 55 | Low | 131 Ų | 131 | 108.9 Ų | 108.9 | 49% | 0.494 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -85.2 | -34.7 | -175.2 | -140.2 | 172.7 | -160.8 | 173.9 | 4.8 | 111.2 | M17 E20 M26 | M17-R22 HydrophobicContact CE-CB 3.51Å; M17-R22 HydrophobicContact CE-CG 3.8Å; M17-R22 HydrophobicContact CG-CG 4.43Å; E20-R22 VanDerWaalsContact C-N 3.31Å; E20-R22 PolarHBondContact O-N 3.47Å; R22-M26 WeakPolarHBondContact O-CG 3.48Å; R22-M26 PolarHBondContact O-N 2.98Å |
| 23 | L | 61.6 | Low | 56.9 | Low | 131 Ų | 131 | 110.7 Ų | 110.7 | 69% | 0.686 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.5 | -41.5 | 169.5 | -77 | 164.2 | 0 | 0 | 0 | 110.9 | Y25 M26 Q27 | L23-Y25 PolarHBondContact O-N 2.95Å; L23-M26 PolarHBondContact O-N 3.31Å; L23-Q27 WeakPolarHBondContact O-CB 3.47Å; L23-Q27 PolarHBondContact O-N 3.32Å |
| 24 | L | 63.5 | Low | 58.6 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 47% | 0.466 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.4 | -40.6 | 175.7 | -81.4 | 166 | 0 | 0 | 0 | 113 | E20 Q27 Q28 | E20-L24 PolarHBondContact O-N 3.13Å; L24-Q27 PolarHBondContact O-N 3.06Å; L24-Q28 WeakPolarHBondContact O-CB 3.35Å; L24-Q28 VanDerWaalsContact O-CG 3.29Å; L24-Q28 WeakPolarHBondContact O-CG 3.49Å; L24-Q28 PolarHBondContact O-N 2.78Å |
| 25 | Y | 64.4 | Low | 60.6 | Low | 126 Ų | 126 | 106.7 Ų | 106.7 | 49% | 0.494 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.6 | -40.5 | 177.7 | -175.3 | -98.7 | 0 | 0 | 0 | 112.9 | E21 L23 Q27 Q28 R29 | E21-Y25 PolarHBondContact O-N 3.44Å; L23-Y25 PolarHBondContact O-N 2.95Å; Y25-Q27 VanDerWaalsContact C-N 3.32Å; Y25-Q28 PolarHBondContact O-N 3.38Å; Y25-R29 WeakPolarHBondContact O-CB 3.41Å; Y25-R29 PolarHBondContact O-N 3.31Å |
| 26 | M | 64.2 | Low | 62.3 | Low | 120 Ų | 120 | 106.1 Ų | 106.1 | 59% | 0.591 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.9 | -34.7 | 174.8 | -70 | -64.1 | -71.8 | 0 | 0 | 111.6 | R22 L23 R29 A30 | R22-M26 WeakPolarHBondContact O-CG 3.48Å; R22-M26 PolarHBondContact O-N 2.98Å; L23-M26 PolarHBondContact O-N 3.31Å; M26-R29 PolarHBondContact O-N 3.24Å; M26-A30 WeakPolarHBondContact O-CB 3.37Å; M26-A30 PolarHBondContact O-N 3.16Å |
| 27 | Q | 67.3 | Low | 64.2 | Low | 107 Ų | 107 | 104.5 Ų | 104.5 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 173.9 | -169.5 | 173.9 | 21.6 | 0 | 0 | 111.7 | L23 L24 Y25 R29 A30 Q31 | L23-Q27 WeakPolarHBondContact O-CB 3.47Å; L23-Q27 PolarHBondContact O-N 3.32Å; L24-Q27 PolarHBondContact O-N 3.06Å; Y25-Q27 VanDerWaalsContact C-N 3.32Å; Q27-R29 VanDerWaalsContact C-N 3.32Å; Q27-R29 PolarHBondContact O-N 3.09Å; Q27-A30 PolarHBondContact O-N 3.24Å; Q27-Q31 VanDerWaalsContact O-CB 3.3Å; Q27-Q31 WeakPolarHBondContact O-CB 3.35Å; Q27-Q31 WeakPolarHBondContact O-CG 3.42Å; Q27-Q31 PolarHBondContact O-N 3.46Å |
| 28 | Q | 67.3 | Low | 66.1 | Low | 119 Ų | 119 | 108 Ų | 108 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.6 | -36.3 | 173.9 | -78.6 | 176.7 | 3 | 0 | 0 | 112.3 | L24 Y25 A32 | L24-Q28 WeakPolarHBondContact O-CB 3.35Å; L24-Q28 VanDerWaalsContact O-CG 3.29Å; L24-Q28 WeakPolarHBondContact O-CG 3.49Å; L24-Q28 PolarHBondContact O-N 2.78Å; Y25-Q28 PolarHBondContact O-N 3.38Å; Q28-A32 VanDerWaalsContact O-CB 3.28Å; Q28-A32 WeakPolarHBondContact O-CB 3.3Å; Q28-A32 PolarHBondContact O-N 3.14Å |
| 29 | R | 66.2 | Low | 67.2 | Low | 136 Ų | 136 | 110.4 Ų | 110.4 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.2 | -42 | 176.2 | -172.1 | 177.2 | 173.6 | 170.6 | 1.4 | 112.4 | Y25 M26 Q27 A32 E33 | Y25-R29 WeakPolarHBondContact O-CB 3.41Å; Y25-R29 PolarHBondContact O-N 3.31Å; M26-R29 PolarHBondContact O-N 3.24Å; Q27-R29 VanDerWaalsContact C-N 3.32Å; Q27-R29 PolarHBondContact O-N 3.09Å; R29-A32 PolarHBondContact O-N 3.37Å; R29-E33 IonicContact CZ-OE1 3.9Å; R29-E33 IonicContact NE-OE1 3.11Å; R29-E33 PolarHBondContact NE-OE1 3.05Å; R29-E33 VanDerWaalsContact NE-OE1 3.11Å; R29-E33 IonicContact NH2-OE1 3.78Å; R29-E33 WeakPolarHBondContact O-CB 3.1Å; R29-E33 WeakPolarHBondContact O-CG 3.34Å; R29-E33 PolarHBondContact O-N 2.85Å |
| 30 | A | 70.9 | Confident | 68.3 | Low | 48 Ų | 48 | 109.1 Ų | 109.1 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M26 Q27 E33 D34 | M26-A30 WeakPolarHBondContact O-CB 3.37Å; M26-A30 PolarHBondContact O-N 3.16Å; Q27-A30 PolarHBondContact O-N 3.24Å; A30-E33 PolarHBondContact O-N 3.41Å; A30-D34 WeakPolarHBondContact O-CB 3.46Å; A30-D34 PolarHBondContact O-N 2.96Å |
| 31 | Q | 69.7 | Low | 69.3 | Low | 96 Ų | 96 | 107.7 Ų | 107.7 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 173.1 | -75 | 170.8 | -12 | 0 | 0 | 111.9 | Q27 E35 | Q27-Q31 VanDerWaalsContact O-CB 3.3Å; Q27-Q31 WeakPolarHBondContact O-CB 3.35Å; Q27-Q31 WeakPolarHBondContact O-CG 3.42Å; Q27-Q31 PolarHBondContact O-N 3.46Å; Q31-E35 VanDerWaalsContact O-CB 3.22Å; Q31-E35 WeakPolarHBondContact O-CB 3.41Å; Q31-E35 WeakPolarHBondContact O-CG 3.32Å; Q31-E35 PolarHBondContact O-N 2.82Å |
| 32 | A | 72.5 | Confident | 70.5 | Confident | 47 Ų | 47 | 106.7 Ų | 106.7 | 39% | 0.388 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q28 R29 M36 | Q28-A32 VanDerWaalsContact O-CB 3.28Å; Q28-A32 WeakPolarHBondContact O-CB 3.3Å; Q28-A32 PolarHBondContact O-N 3.14Å; R29-A32 PolarHBondContact O-N 3.37Å; A32-M36 VanDerWaalsContact O-CB 3.27Å; A32-M36 WeakPolarHBondContact O-CB 3.32Å; A32-M36 WeakPolarHBondContact O-CG 3.41Å; A32-M36 PolarHBondContact O-N 3.18Å |
| 33 | E | 72.6 | Confident | 71.6 | Confident | 112 Ų | 112 | 106.5 Ų | 106.5 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.1 | -41 | 175.5 | -75.5 | 175.1 | -168.7 | 0 | 0 | 111.4 | R29 A30 M36 A37 | R29-E33 IonicContact CZ-OE1 3.9Å; R29-E33 IonicContact NE-OE1 3.11Å; R29-E33 PolarHBondContact NE-OE1 3.05Å; R29-E33 VanDerWaalsContact NE-OE1 3.11Å; R29-E33 IonicContact NH2-OE1 3.78Å; R29-E33 WeakPolarHBondContact O-CB 3.1Å; R29-E33 WeakPolarHBondContact O-CG 3.34Å; R29-E33 PolarHBondContact O-N 2.85Å; A30-E33 PolarHBondContact O-N 3.41Å; E33-M36 PolarHBondContact O-N 3.46Å; E33-A37 WeakPolarHBondContact O-CB 3.47Å; E33-A37 PolarHBondContact O-N 3.05Å |
| 34 | D | 72.3 | Confident | 72.6 | Confident | 104 Ų | 104 | 105.4 Ų | 105.4 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.4 | -38.6 | 173.2 | -78.1 | -15.1 | 0 | 0 | 0 | 112.2 | A30 A37 K38 | A30-D34 WeakPolarHBondContact O-CB 3.46Å; A30-D34 PolarHBondContact O-N 2.96Å; D34-A37 PolarHBondContact O-N 2.85Å; D34-K38 WeakPolarHBondContact O-CB 3.25Å; D34-K38 VanDerWaalsContact O-CG 3.29Å; D34-K38 WeakPolarHBondContact O-CG 3.43Å; D34-K38 PolarHBondContact O-N 3.23Å |
| 35 | E | 73.8 | Confident | 73.5 | Confident | 101 Ų | 101 | 104 Ų | 104 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 172.3 | -79.1 | 176.9 | -167.7 | 0 | 0 | 111.6 | Q31 R39 | Q31-E35 VanDerWaalsContact O-CB 3.22Å; Q31-E35 WeakPolarHBondContact O-CB 3.41Å; Q31-E35 WeakPolarHBondContact O-CG 3.32Å; Q31-E35 PolarHBondContact O-N 2.82Å; E35-R39 WeakPolarHBondContact O-CB 3.42Å; E35-R39 WeakPolarHBondContact O-CG 3.34Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 IonicContact OE2-NH2 3.24Å |
| 36 | M | 71.5 | Confident | 74.4 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.3 | -32.9 | 175.3 | -74.3 | -69 | -73.9 | 0 | 0 | 112.3 | A32 E33 K40 | A32-M36 VanDerWaalsContact O-CB 3.27Å; A32-M36 WeakPolarHBondContact O-CB 3.32Å; A32-M36 WeakPolarHBondContact O-CG 3.41Å; A32-M36 PolarHBondContact O-N 3.18Å; E33-M36 PolarHBondContact O-N 3.46Å; M36-K40 VanDerWaalsContact O-CG 3.29Å; M36-K40 WeakPolarHBondContact O-CG 3.39Å; M36-K40 PolarHBondContact O-N 3.05Å |
| 37 | A | 75.6 | Confident | 75.5 | Confident | 42 Ų | 42 | 103.1 Ų | 103.1 | 35% | 0.347 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.9 | -47.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E33 D34 R39 K40 E41 | E33-A37 WeakPolarHBondContact O-CB 3.47Å; E33-A37 PolarHBondContact O-N 3.05Å; D34-A37 PolarHBondContact O-N 2.85Å; A37-R39 PolarHBondContact O-N 3.48Å; A37-K40 WeakPolarHBondContact O-CA 3.38Å; A37-K40 WeakPolarHBondContact O-CB 3.43Å; A37-K40 PolarHBondContact O-N 3.26Å; A37-E41 WeakPolarHBondContact O-CG 3.42Å; A37-E41 PolarHBondContact O-N 2.88Å |
| 38 | K | 77.1 | Confident | 76.4 | Confident | 132 Ų | 132 | 102.8 Ų | 102.8 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.7 | -44.8 | 172.1 | -77.4 | 179.6 | 178.8 | 179.4 | 0 | 111.9 | D34 K40 E41 D42 | D34-K38 WeakPolarHBondContact O-CB 3.25Å; D34-K38 VanDerWaalsContact O-CG 3.29Å; D34-K38 WeakPolarHBondContact O-CG 3.43Å; D34-K38 PolarHBondContact O-N 3.23Å; K38-K40 VanDerWaalsContact C-N 3.29Å; K38-K40 PolarHBondContact O-N 2.96Å; K38-E41 CarbonylContact O-C 3.6Å; K38-E41 PolarHBondContact O-N 2.88Å; K38-D42 VanDerWaalsContact O-CB 3.28Å; K38-D42 WeakPolarHBondContact O-CB 3.47Å; K38-D42 PolarHBondContact O-N 3.24Å |
| 39 | R | 75.8 | Confident | 77.3 | Confident | 142 Ų | 142 | 103.5 Ų | 103.5 | 54% | 0.536 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 174 | -75.8 | 170.8 | -170.8 | 165.4 | 9.1 | 112.4 | E35 A37 M43 | E35-R39 WeakPolarHBondContact O-CB 3.42Å; E35-R39 WeakPolarHBondContact O-CG 3.34Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 IonicContact OE2-NH2 3.24Å; A37-R39 PolarHBondContact O-N 3.48Å; R39-M43 VanDerWaalsContact O-CB 3.3Å; R39-M43 WeakPolarHBondContact O-CB 3.31Å; R39-M43 WeakPolarHBondContact O-CG 3.25Å; R39-M43 PolarHBondContact O-N 2.86Å |
| 40 | K | 77.9 | Confident | 78.3 | Confident | 150 Ų | 150 | 100.8 Ų | 100.8 | 65% | 0.652 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.2 | -40.8 | 175.9 | -74.4 | 171.9 | -176.9 | 176.5 | 0 | 112 | M36 A37 K38 M43 L44 | M36-K40 VanDerWaalsContact O-CG 3.29Å; M36-K40 WeakPolarHBondContact O-CG 3.39Å; M36-K40 PolarHBondContact O-N 3.05Å; A37-K40 WeakPolarHBondContact O-CA 3.38Å; A37-K40 WeakPolarHBondContact O-CB 3.43Å; A37-K40 PolarHBondContact O-N 3.26Å; K38-K40 VanDerWaalsContact C-N 3.29Å; K38-K40 PolarHBondContact O-N 2.96Å; K40-M43 PolarHBondContact O-N 3.47Å; K40-L44 WeakPolarHBondContact O-CB 3.34Å; K40-L44 PolarHBondContact O-N 3.37Å |
| 41 | E | 77 | Confident | 79.3 | Confident | 126 Ų | 126 | 104 Ų | 104 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 174.1 | -72.9 | 179.1 | 171.8 | 0 | 0 | 111.4 | A37 K38 M43 L44 T45 | A37-E41 WeakPolarHBondContact O-CG 3.42Å; A37-E41 PolarHBondContact O-N 2.88Å; K38-E41 CarbonylContact O-C 3.6Å; K38-E41 PolarHBondContact O-N 2.88Å; E41-M43 PolarHBondContact O-N 2.95Å; E41-L44 PolarHBondContact O-N 2.96Å; E41-T45 WeakPolarHBondContact O-CB 3.39Å; E41-T45 WeakPolarHBondContact O-CG2 3.4Å; E41-T45 PolarHBondContact O-N 2.84Å; E41-T45 PolarHBondContact O-OG1 3.44Å |
| 42 | D | 81.3 | Confident | 80.2 | Confident | 87 Ų | 87 | 103.7 Ų | 103.7 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 174.9 | -71 | -26.8 | 0 | 0 | 0 | 111.2 | K38 T45 Q46 | K38-D42 VanDerWaalsContact O-CB 3.28Å; K38-D42 WeakPolarHBondContact O-CB 3.47Å; K38-D42 PolarHBondContact O-N 3.24Å; D42-T45 WeakPolarHBondContact CA-OG1 3.43Å; D42-T45 PolarHBondContact O-OG1 3.29Å; D42-Q46 VanDerWaalsContact O-CB 3.26Å; D42-Q46 WeakPolarHBondContact O-CB 3.43Å; D42-Q46 WeakPolarHBondContact O-CG 3.29Å; D42-Q46 PolarHBondContact O-N 3.4Å |
| 43 | M | 81.8 | Confident | 80.9 | Confident | 128 Ų | 128 | 105.3 Ų | 105.3 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 174.7 | -73.3 | -72.3 | -69.1 | 0 | 0 | 112.1 | R39 K40 E41 F47 | R39-M43 VanDerWaalsContact O-CB 3.3Å; R39-M43 WeakPolarHBondContact O-CB 3.31Å; R39-M43 WeakPolarHBondContact O-CG 3.25Å; R39-M43 PolarHBondContact O-N 2.86Å; K40-M43 PolarHBondContact O-N 3.47Å; E41-M43 PolarHBondContact O-N 2.95Å; M43-F47 WeakPolarHBondContact O-CB 3.46Å; M43-F47 PolarHBondContact O-N 2.84Å |
| 44 | L | 81.4 | Confident | 81.7 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.5 | -43.2 | 177.6 | -171.9 | 72.1 | 0 | 0 | 0 | 111.6 | K40 E41 F47 L48 | K40-L44 WeakPolarHBondContact O-CB 3.34Å; K40-L44 PolarHBondContact O-N 3.37Å; E41-L44 PolarHBondContact O-N 2.96Å; L44-F47 PolarHBondContact O-N 3.2Å; L44-L48 HydrophobicContact CG-CD1 4.41Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 3.3Å |
| 45 | T | 82.6 | Confident | 82.4 | Confident | 61 Ų | 61 | 106.9 Ų | 106.9 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 177.6 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | E41 D42 L48 K49 | E41-T45 WeakPolarHBondContact O-CB 3.39Å; E41-T45 WeakPolarHBondContact O-CG2 3.4Å; E41-T45 PolarHBondContact O-N 2.84Å; E41-T45 PolarHBondContact O-OG1 3.44Å; D42-T45 WeakPolarHBondContact CA-OG1 3.43Å; D42-T45 PolarHBondContact O-OG1 3.29Å; T45-L48 PolarHBondContact O-N 2.84Å; T45-K49 WeakPolarHBondContact O-CB 3.28Å; T45-K49 VanDerWaalsContact O-CG 3.28Å; T45-K49 WeakPolarHBondContact O-CG 3.22Å; T45-K49 PolarHBondContact O-N 3.36Å |
| 46 | Q | 83.9 | Confident | 83.1 | Confident | 110 Ų | 110 | 107.1 Ų | 107.1 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 170.4 | -75.3 | 172.5 | 16.8 | 0 | 0 | 111.4 | D42 L48 K49 D50 | D42-Q46 VanDerWaalsContact O-CB 3.26Å; D42-Q46 WeakPolarHBondContact O-CB 3.43Å; D42-Q46 WeakPolarHBondContact O-CG 3.29Å; D42-Q46 PolarHBondContact O-N 3.4Å; Q46-L48 PolarHBondContact O-N 2.91Å; Q46-K49 PolarHBondContact O-N 3.32Å; Q46-D50 WeakPolarHBondContact O-CB 3.33Å; Q46-D50 PolarHBondContact O-N 2.82Å |
| 47 | F | 86.4 | Confident | 83.9 | Confident | 117 Ų | 117 | 110.1 Ų | 110.1 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 175.8 | 178.7 | -96 | 0 | 0 | 0 | 112.6 | M43 L44 D50 K51 | M43-F47 WeakPolarHBondContact O-CB 3.46Å; M43-F47 PolarHBondContact O-N 2.84Å; L44-F47 PolarHBondContact O-N 3.2Å; F47-D50 PolarHBondContact O-N 3.23Å; F47-K51 HydrophobicContact CD1-CG 4.2Å; F47-K51 HydrophobicContact CE1-CG 3.85Å; F47-K51 HydrophobicContact CE2-CG 4.48Å; F47-K51 HydrophobicContact CZ-CD 4.35Å; F47-K51 HydrophobicContact CZ-CG 4.02Å; F47-K51 WeakPolarHBondContact O-CB 3.39Å; F47-K51 VanDerWaalsContact O-CG 3.29Å; F47-K51 WeakPolarHBondContact O-CG 3.47Å; F47-K51 PolarHBondContact O-N 3.3Å |
| 48 | L | 86.5 | Confident | 84.5 | Confident | 100 Ų | 100 | 112.8 Ų | 112.8 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 176.6 | -71.2 | 174.2 | 0 | 0 | 0 | 111.9 | L44 T45 Q46 K51 L52 | L44-L48 HydrophobicContact CG-CD1 4.41Å; L44-L48 WeakPolarHBondContact O-CG 3.35Å; L44-L48 PolarHBondContact O-N 3.3Å; T45-L48 PolarHBondContact O-N 2.84Å; Q46-L48 PolarHBondContact O-N 2.91Å; L48-K51 PolarHBondContact O-N 2.76Å; L48-L52 WeakPolarHBondContact O-CB 3.47Å; L48-L52 PolarHBondContact O-N 3.13Å |
| 49 | K | 87.1 | Confident | 85 | Confident | 134 Ų | 134 | 109.6 Ų | 109.6 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 172.7 | -77.7 | 174.6 | -179.6 | 175.6 | 0 | 111.4 | T45 Q46 K51 L52 Q53 | T45-K49 WeakPolarHBondContact O-CB 3.28Å; T45-K49 VanDerWaalsContact O-CG 3.28Å; T45-K49 WeakPolarHBondContact O-CG 3.22Å; T45-K49 PolarHBondContact O-N 3.36Å; Q46-K49 PolarHBondContact O-N 3.32Å; K49-K51 VanDerWaalsContact C-N 3.34Å; K49-K51 PolarHBondContact O-N 3.44Å; K49-L52 PolarHBondContact O-N 3.02Å; K49-Q53 WeakPolarHBondContact O-CB 3.45Å; K49-Q53 VanDerWaalsContact O-CG 3.3Å; K49-Q53 WeakPolarHBondContact O-CG 3.43Å; K49-Q53 PolarHBondContact O-N 3.46Å |
| 50 | D | 87.6 | Confident | 85.6 | Confident | 79 Ų | 79 | 105 Ų | 105 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.9 | -36.4 | 176.8 | -79.3 | -6.1 | 0 | 0 | 0 | 112.2 | Q46 F47 K54 | Q46-D50 WeakPolarHBondContact O-CB 3.33Å; Q46-D50 PolarHBondContact O-N 2.82Å; F47-D50 PolarHBondContact O-N 3.23Å; D50-K54 VanDerWaalsContact O-CB 3.29Å; D50-K54 WeakPolarHBondContact O-CB 3.49Å; D50-K54 WeakPolarHBondContact O-CD 3.19Å; D50-K54 WeakPolarHBondContact O-CG 3.41Å; D50-K54 PolarHBondContact O-N 2.99Å |
| 51 | K | 90.7 | Very high | 86.3 | Confident | 114 Ų | 114 | 101.4 Ų | 101.4 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 174.2 | -78.7 | -71.9 | -173.1 | 173.9 | 0 | 111.5 | F47 L48 K49 K54 E55 | F47-K51 HydrophobicContact CD1-CG 4.2Å; F47-K51 HydrophobicContact CE1-CG 3.85Å; F47-K51 HydrophobicContact CE2-CG 4.48Å; F47-K51 HydrophobicContact CZ-CD 4.35Å; F47-K51 HydrophobicContact CZ-CG 4.02Å; F47-K51 WeakPolarHBondContact O-CB 3.39Å; F47-K51 VanDerWaalsContact O-CG 3.29Å; F47-K51 WeakPolarHBondContact O-CG 3.47Å; F47-K51 PolarHBondContact O-N 3.3Å; L48-K51 PolarHBondContact O-N 2.76Å; K49-K51 VanDerWaalsContact C-N 3.34Å; K49-K51 PolarHBondContact O-N 3.44Å; K51-K54 PolarHBondContact O-N 2.85Å; K51-E55 WeakPolarHBondContact O-CB 3.48Å; K51-E55 PolarHBondContact O-N 3.4Å |
| 52 | L | 88.8 | Confident | 86.9 | Confident | 90 Ų | 90 | 99.8 Ų | 99.8 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 176 | -175.5 | 68.4 | 0 | 0 | 0 | 110.7 | L48 K49 K54 E55 E56 | L48-L52 WeakPolarHBondContact O-CB 3.47Å; L48-L52 PolarHBondContact O-N 3.13Å; K49-L52 PolarHBondContact O-N 3.02Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.43Å; L52-E55 CarbonylContact O-C 3.56Å; L52-E55 WeakPolarHBondContact O-CB 3.49Å; L52-E55 PolarHBondContact O-N 2.82Å; L52-E55 VanDerWaalsContact O-N 3.07Å; L52-E56 HydrophobicContact CG-CG 4.43Å; L52-E56 WeakPolarHBondContact O-CB 3.49Å; L52-E56 WeakPolarHBondContact O-CG 3.48Å; L52-E56 PolarHBondContact O-N 2.84Å |
| 53 | Q | 88.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 100.5 Ų | 100.5 | 38% | 0.383 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 176.4 | -74.6 | -178.2 | 12.1 | 0 | 0 | 112.5 | K49 R57 | K49-Q53 WeakPolarHBondContact O-CB 3.45Å; K49-Q53 VanDerWaalsContact O-CG 3.3Å; K49-Q53 WeakPolarHBondContact O-CG 3.43Å; K49-Q53 PolarHBondContact O-N 3.46Å; Q53-R57 WeakPolarHBondContact O-CB 3.39Å; Q53-R57 WeakPolarHBondContact O-CG 3.47Å; Q53-R57 PolarHBondContact O-N 3.05Å |
| 54 | K | 87.6 | Confident | 88 | Confident | 118 Ų | 118 | 100.5 Ų | 100.5 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 173.6 | -77.7 | 169 | -174.5 | 170.3 | 0 | 111.2 | D50 K51 L52 N58 | D50-K54 VanDerWaalsContact O-CB 3.29Å; D50-K54 WeakPolarHBondContact O-CB 3.49Å; D50-K54 WeakPolarHBondContact O-CD 3.19Å; D50-K54 WeakPolarHBondContact O-CG 3.41Å; D50-K54 PolarHBondContact O-N 2.99Å; K51-K54 PolarHBondContact O-N 2.85Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.43Å; K54-N58 WeakPolarHBondContact O-CB 3.27Å; K54-N58 PolarHBondContact O-N 3.39Å; K54-N58 PolarHBondContact O-ND2 3.4Å |
| 55 | E | 88.3 | Confident | 88.5 | Confident | 131 Ų | 131 | 100.8 Ų | 100.8 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66 | -44.4 | 176.2 | -165 | -169.1 | 177.3 | 0 | 0 | 111.8 | K51 L52 N58 S59 | K51-E55 WeakPolarHBondContact O-CB 3.48Å; K51-E55 PolarHBondContact O-N 3.4Å; L52-E55 CarbonylContact O-C 3.56Å; L52-E55 WeakPolarHBondContact O-CB 3.49Å; L52-E55 PolarHBondContact O-N 2.82Å; L52-E55 VanDerWaalsContact O-N 3.07Å; E55-N58 CarbonylContact O-C 3.53Å; E55-N58 PolarHBondContact O-N 3.32Å; E55-S59 WeakPolarHBondContact O-CB 3.49Å; E55-S59 PolarHBondContact O-N 3.47Å; E55-S59 PolarHBondContact O-OG 3.21Å |
| 56 | E | 87.3 | Confident | 89 | Confident | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.6 | -73.7 | 174.7 | 169.4 | 0 | 0 | 112 | L52 N58 S59 A60 | L52-E56 HydrophobicContact CG-CG 4.43Å; L52-E56 WeakPolarHBondContact O-CB 3.49Å; L52-E56 WeakPolarHBondContact O-CG 3.48Å; L52-E56 PolarHBondContact O-N 2.84Å; E56-N58 VanDerWaalsContact C-N 3.35Å; E56-S59 WeakPolarHBondContact CA-OG 3.34Å; E56-S59 PolarHBondContact O-N 2.99Å; E56-S59 PolarHBondContact O-OG 2.98Å; E56-A60 WeakPolarHBondContact O-CB 3.24Å; E56-A60 PolarHBondContact O-N 2.79Å |
| 57 | R | 88.4 | Confident | 89.4 | Confident | 157 Ų | 157 | 99 Ų | 99 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 173.7 | -72.4 | 173.1 | -168.4 | 163.5 | 10 | 110.9 | Q53 V61 | Q53-R57 WeakPolarHBondContact O-CB 3.39Å; Q53-R57 WeakPolarHBondContact O-CG 3.47Å; Q53-R57 PolarHBondContact O-N 3.05Å; R57-V61 WeakPolarHBondContact O-CB 3.47Å; R57-V61 VanDerWaalsContact O-CG2 3.27Å; R57-V61 WeakPolarHBondContact O-CG2 3.32Å; R57-V61 PolarHBondContact O-N 3.38Å |
| 58 | N | 89.1 | Confident | 89.7 | Confident | 98 Ų | 98 | 100 Ų | 100 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 177.6 | -74.1 | -16.9 | 0 | 0 | 0 | 111.9 | K54 E55 E56 V61 N62 | K54-N58 WeakPolarHBondContact O-CB 3.27Å; K54-N58 PolarHBondContact O-N 3.39Å; K54-N58 PolarHBondContact O-ND2 3.4Å; E55-N58 CarbonylContact O-C 3.53Å; E55-N58 PolarHBondContact O-N 3.32Å; E56-N58 VanDerWaalsContact C-N 3.35Å; N58-V61 PolarHBondContact O-N 3.03Å; N58-N62 WeakPolarHBondContact O-CB 3.43Å; N58-N62 PolarHBondContact O-N 2.93Å; N58-N62 PolarHBondContact O-ND2 3.14Å |
| 59 | S | 86.8 | Confident | 90 | Very high | 65 Ų | 65 | 101 Ų | 101 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 178.8 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | E55 E56 N62 L63 | E55-S59 WeakPolarHBondContact O-CB 3.49Å; E55-S59 PolarHBondContact O-N 3.47Å; E55-S59 PolarHBondContact O-OG 3.21Å; E56-S59 WeakPolarHBondContact CA-OG 3.34Å; E56-S59 PolarHBondContact O-N 2.99Å; E56-S59 PolarHBondContact O-OG 2.98Å; S59-N62 PolarHBondContact O-N 3.34Å; S59-L63 VanDerWaalsContact O-CB 3.29Å; S59-L63 WeakPolarHBondContact O-CB 3.16Å; S59-L63 PolarHBondContact O-N 2.84Å |
| 60 | A | 89.3 | Confident | 90.4 | Very high | 46 Ų | 46 | 101.7 Ų | 101.7 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E56 L63 H64 | E56-A60 WeakPolarHBondContact O-CB 3.24Å; E56-A60 PolarHBondContact O-N 2.79Å; A60-L63 PolarHBondContact O-N 3.48Å; A60-H64 PolarHBondContact O-N 3.01Å; A60-H64 PolarHBondContact O-ND1 2.82Å |
| 61 | V | 91.6 | Very high | 90.7 | Very high | 74 Ų | 74 | 104.9 Ų | 104.9 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | R57 N58 L63 H64 K65 | R57-V61 WeakPolarHBondContact O-CB 3.47Å; R57-V61 VanDerWaalsContact O-CG2 3.27Å; R57-V61 WeakPolarHBondContact O-CG2 3.32Å; R57-V61 PolarHBondContact O-N 3.38Å; N58-V61 PolarHBondContact O-N 3.03Å; V61-L63 VanDerWaalsContact C-N 3.35Å; V61-H64 PolarHBondContact O-N 2.83Å; V61-K65 HydrophobicContact CG1-CD 4.26Å; V61-K65 WeakPolarHBondContact O-CG 3.32Å; V61-K65 PolarHBondContact O-N 3.36Å |
| 62 | N | 90.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 102 Ų | 102 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 177.5 | -72.9 | -17.5 | 0 | 0 | 0 | 111.7 | N58 S59 K65 L66 | N58-N62 WeakPolarHBondContact O-CB 3.43Å; N58-N62 PolarHBondContact O-N 2.93Å; N58-N62 PolarHBondContact O-ND2 3.14Å; S59-N62 PolarHBondContact O-N 3.34Å; N62-K65 PolarHBondContact O-N 3.16Å; N62-L66 VanDerWaalsContact O-CB 3.29Å; N62-L66 WeakPolarHBondContact O-CB 3.33Å; N62-L66 PolarHBondContact O-N 3.01Å |
| 63 | L | 92.9 | Very high | 91.1 | Very high | 102 Ų | 102 | 101 Ų | 101 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 173.6 | -177.2 | 65.9 | 0 | 0 | 0 | 111.3 | S59 A60 V61 L66 T67 | S59-L63 VanDerWaalsContact O-CB 3.29Å; S59-L63 WeakPolarHBondContact O-CB 3.16Å; S59-L63 PolarHBondContact O-N 2.84Å; A60-L63 PolarHBondContact O-N 3.48Å; V61-L63 VanDerWaalsContact C-N 3.35Å; L63-L66 PolarHBondContact O-N 2.97Å; L63-T67 HydrophobicContact CD1-CG2 4.35Å; L63-T67 WeakPolarHBondContact O-CB 3.47Å; L63-T67 WeakPolarHBondContact O-CG2 3.28Å; L63-T67 PolarHBondContact O-N 2.8Å; L63-T67 PolarHBondContact O-OG1 3.49Å |
| 64 | H | 92.3 | Very high | 91.4 | Very high | 127 Ų | 127 | 102.1 Ų | 102.1 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 174.6 | -75.5 | 73.8 | 0 | 0 | 0 | 111.7 | A60 V61 T67 Q68 | A60-H64 PolarHBondContact O-N 3.01Å; A60-H64 PolarHBondContact O-ND1 2.82Å; V61-H64 PolarHBondContact O-N 2.83Å; H64-T67 VanDerWaalsContact CA-OG1 3.32Å; H64-T67 WeakPolarHBondContact CA-OG1 3.45Å; H64-T67 PolarHBondContact O-OG1 3.44Å; H64-Q68 VanDerWaalsContact O-CB 3.27Å; H64-Q68 WeakPolarHBondContact O-CB 3.44Å; H64-Q68 PolarHBondContact O-N 3.06Å |
| 65 | K | 93.1 | Very high | 91.8 | Very high | 113 Ų | 113 | 104.4 Ų | 104.4 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 174.4 | -72.1 | 175.2 | 179.7 | 177.2 | 0 | 111.6 | V61 N62 Q68 Q69 | V61-K65 HydrophobicContact CG1-CD 4.26Å; V61-K65 WeakPolarHBondContact O-CG 3.32Å; V61-K65 PolarHBondContact O-N 3.36Å; N62-K65 PolarHBondContact O-N 3.16Å; K65-Q68 PolarHBondContact O-N 3.37Å; K65-Q69 WeakPolarHBondContact O-CB 3.33Å; K65-Q69 VanDerWaalsContact O-CG 3.29Å; K65-Q69 WeakPolarHBondContact O-CG 3.32Å; K65-Q69 PolarHBondContact O-N 2.91Å |
| 66 | L | 92.4 | Very high | 92.1 | Very high | 85 Ų | 85 | 104.9 Ų | 104.9 | 45% | 0.445 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | 179.2 | -162.6 | 90.7 | 0 | 0 | 0 | 110.8 | N62 L63 Q68 Q69 W70 | N62-L66 VanDerWaalsContact O-CB 3.29Å; N62-L66 WeakPolarHBondContact O-CB 3.33Å; N62-L66 PolarHBondContact O-N 3.01Å; L63-L66 PolarHBondContact O-N 2.97Å; L66-Q68 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 2.85Å; L66-Q69 PolarHBondContact O-N 3.05Å; L66-W70 WeakPolarHBondContact O-CB 3.35Å; L66-W70 PolarHBondContact O-N 3.45Å |
| 67 | T | 92.2 | Very high | 92.4 | Very high | 49 Ų | 49 | 102.9 Ų | 102.9 | 30% | 0.301 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 176.7 | 49 | 0 | 0 | 0 | 0 | 112.3 | L63 H64 R71 | L63-T67 HydrophobicContact CD1-CG2 4.35Å; L63-T67 WeakPolarHBondContact O-CB 3.47Å; L63-T67 WeakPolarHBondContact O-CG2 3.28Å; L63-T67 PolarHBondContact O-N 2.8Å; L63-T67 PolarHBondContact O-OG1 3.49Å; H64-T67 VanDerWaalsContact CA-OG1 3.32Å; H64-T67 WeakPolarHBondContact CA-OG1 3.45Å; H64-T67 PolarHBondContact O-OG1 3.44Å; T67-R71 WeakPolarHBondContact O-CB 3.45Å; T67-R71 VanDerWaalsContact O-CG 3.23Å; T67-R71 WeakPolarHBondContact O-CG 3.34Å; T67-R71 PolarHBondContact O-N 2.93Å |
| 68 | Q | 93.3 | Very high | 92.7 | Very high | 137 Ų | 137 | 101.7 Ų | 101.7 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 172.6 | -175.2 | 174.5 | 5.7 | 0 | 0 | 111.6 | H64 K65 L66 R71 A72 | H64-Q68 VanDerWaalsContact O-CB 3.27Å; H64-Q68 WeakPolarHBondContact O-CB 3.44Å; H64-Q68 PolarHBondContact O-N 3.06Å; K65-Q68 PolarHBondContact O-N 3.37Å; L66-Q68 VanDerWaalsContact C-N 3.34Å; L66-Q68 PolarHBondContact O-N 2.85Å; Q68-R71 PolarHBondContact O-N 3.32Å; Q68-A72 WeakPolarHBondContact O-CB 3.49Å; Q68-A72 PolarHBondContact O-N 2.95Å |
| 69 | Q | 93.3 | Very high | 93 | Very high | 122 Ų | 122 | 98.7 Ų | 98.7 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.1 | -47.3 | 174.6 | -73.9 | 173.2 | -9.5 | 0 | 0 | 111.3 | K65 L66 R71 A72 V73 | K65-Q69 WeakPolarHBondContact O-CB 3.33Å; K65-Q69 VanDerWaalsContact O-CG 3.29Å; K65-Q69 WeakPolarHBondContact O-CG 3.32Å; K65-Q69 PolarHBondContact O-N 2.91Å; L66-Q69 PolarHBondContact O-N 3.05Å; Q69-R71 PolarHBondContact O-N 3.34Å; Q69-A72 WeakPolarHBondContact O-CB 3.42Å; Q69-A72 PolarHBondContact O-N 2.91Å; Q69-A72 VanDerWaalsContact O-N 3.12Å; Q69-V73 WeakPolarHBondContact O-CG2 3.45Å; Q69-V73 PolarHBondContact O-N 2.96Å |
| 70 | W | 94.6 | Very high | 93.3 | Very high | 149 Ų | 149 | 98 Ų | 98 | 56% | 0.564 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 175.7 | -80.6 | 117.3 | 0 | 0 | 0 | 112.4 | L66 A72 V73 L74 | L66-W70 WeakPolarHBondContact O-CB 3.35Å; L66-W70 PolarHBondContact O-N 3.45Å; W70-A72 VanDerWaalsContact C-N 3.32Å; W70-A72 PolarHBondContact O-N 2.8Å; W70-V73 PolarHBondContact O-N 2.86Å; W70-L74 VanDerWaalsContact O-CB 3.29Å; W70-L74 WeakPolarHBondContact O-CB 3.29Å; W70-L74 VanDerWaalsContact O-CG 3.23Å; W70-L74 WeakPolarHBondContact O-CG 3.34Å; W70-L74 PolarHBondContact O-N 2.91Å |
| 71 | R | 94.6 | Very high | 93.6 | Very high | 145 Ų | 145 | 100.2 Ų | 100.2 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 174.3 | -75.4 | 172.9 | -176 | 157 | 1 | 112 | T67 Q68 Q69 R75 | T67-R71 WeakPolarHBondContact O-CB 3.45Å; T67-R71 VanDerWaalsContact O-CG 3.23Å; T67-R71 WeakPolarHBondContact O-CG 3.34Å; T67-R71 PolarHBondContact O-N 2.93Å; Q68-R71 PolarHBondContact O-N 3.32Å; Q69-R71 PolarHBondContact O-N 3.34Å; R71-R75 VanDerWaalsContact O-CB 3.32Å; R71-R75 WeakPolarHBondContact O-CB 3.33Å; R71-R75 WeakPolarHBondContact O-CG 3.13Å; R71-R75 PolarHBondContact O-N 2.69Å |
| 72 | A | 94.3 | Very high | 93.8 | Very high | 53 Ų | 53 | 100.4 Ų | 100.4 | 44% | 0.438 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q68 Q69 W70 R75 Q76 | Q68-A72 WeakPolarHBondContact O-CB 3.49Å; Q68-A72 PolarHBondContact O-N 2.95Å; Q69-A72 WeakPolarHBondContact O-CB 3.42Å; Q69-A72 PolarHBondContact O-N 2.91Å; Q69-A72 VanDerWaalsContact O-N 3.12Å; W70-A72 VanDerWaalsContact C-N 3.32Å; W70-A72 PolarHBondContact O-N 2.8Å; A72-R75 PolarHBondContact O-N 3.01Å; A72-Q76 WeakPolarHBondContact O-CB 3.24Å; A72-Q76 PolarHBondContact O-N 3.41Å |
| 73 | V | 93.8 | Very high | 94 | Very high | 70 Ų | 70 | 103.6 Ų | 103.6 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -51 | 177 | 173.8 | 0 | 0 | 0 | 0 | 111 | Q69 W70 R75 Q76 T77 | Q69-V73 WeakPolarHBondContact O-CG2 3.45Å; Q69-V73 PolarHBondContact O-N 2.96Å; W70-V73 PolarHBondContact O-N 2.86Å; V73-R75 VanDerWaalsContact C-N 3.34Å; V73-R75 PolarHBondContact O-N 3.45Å; V73-Q76 WeakPolarHBondContact O-CB 3.31Å; V73-Q76 PolarHBondContact O-N 3.39Å; V73-Q76 VanDerWaalsContact O-N 3.1Å; V73-T77 HydrophobicContact CG1-CG2 4.38Å; V73-T77 WeakPolarHBondContact O-CG2 3.35Å; V73-T77 PolarHBondContact O-N 2.9Å; V73-T77 PolarHBondContact O-OG1 3.15Å |
| 74 | L | 94.2 | Very high | 94.1 | Very high | 105 Ų | 105 | 102 Ų | 102 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -36.6 | -179.7 | -71.8 | 170.9 | 0 | 0 | 0 | 113 | W70 T77 R78 | W70-L74 VanDerWaalsContact O-CB 3.29Å; W70-L74 WeakPolarHBondContact O-CB 3.29Å; W70-L74 VanDerWaalsContact O-CG 3.23Å; W70-L74 WeakPolarHBondContact O-CG 3.34Å; W70-L74 PolarHBondContact O-N 2.91Å; L74-T77 WeakPolarHBondContact CA-OG1 3.45Å; L74-T77 PolarHBondContact O-OG1 2.87Å; L74-R78 WeakPolarHBondContact O-CB 3.38Å; L74-R78 PolarHBondContact O-N 2.95Å |
| 75 | R | 95.4 | Very high | 94.3 | Very high | 167 Ų | 167 | 99.8 Ų | 99.8 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.7 | -39.4 | 173.7 | -75.1 | -179.3 | -162.2 | 123.2 | -5 | 111.5 | R71 A72 V73 A79 | R71-R75 VanDerWaalsContact O-CB 3.32Å; R71-R75 WeakPolarHBondContact O-CB 3.33Å; R71-R75 WeakPolarHBondContact O-CG 3.13Å; R71-R75 PolarHBondContact O-N 2.69Å; A72-R75 PolarHBondContact O-N 3.01Å; V73-R75 VanDerWaalsContact C-N 3.34Å; V73-R75 PolarHBondContact O-N 3.45Å; R75-A79 WeakPolarHBondContact O-CB 3.27Å; R75-A79 PolarHBondContact O-N 3.46Å |
| 76 | Q | 94.8 | Very high | 94.4 | Very high | 141 Ų | 141 | 99.8 Ų | 99.8 | 66% | 0.659 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66 | -44.7 | 178.5 | -173.2 | 177.2 | 6.6 | 0 | 0 | 111.3 | A72 V73 A79 A80 | A72-Q76 WeakPolarHBondContact O-CB 3.24Å; A72-Q76 PolarHBondContact O-N 3.41Å; V73-Q76 WeakPolarHBondContact O-CB 3.31Å; V73-Q76 PolarHBondContact O-N 3.39Å; V73-Q76 VanDerWaalsContact O-N 3.1Å; Q76-A79 PolarHBondContact O-N 2.95Å; Q76-A80 WeakPolarHBondContact O-CB 3.48Å; Q76-A80 PolarHBondContact O-N 3.33Å |
| 77 | T | 92.8 | Very high | 94.6 | Very high | 63 Ų | 63 | 97.8 Ų | 97.8 | 39% | 0.387 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 175.5 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | V73 L74 A79 A80 E81 | V73-T77 HydrophobicContact CG1-CG2 4.38Å; V73-T77 WeakPolarHBondContact O-CG2 3.35Å; V73-T77 PolarHBondContact O-N 2.9Å; V73-T77 PolarHBondContact O-OG1 3.15Å; L74-T77 WeakPolarHBondContact CA-OG1 3.45Å; L74-T77 PolarHBondContact O-OG1 2.87Å; T77-A79 VanDerWaalsContact C-N 3.33Å; T77-A79 PolarHBondContact O-N 3.38Å; T77-A80 WeakPolarHBondContact O-CB 3.23Å; T77-A80 PolarHBondContact O-N 3.35Å; T77-A80 VanDerWaalsContact O-N 3.08Å; T77-E81 WeakPolarHBondContact O-CG 3.39Å; T77-E81 PolarHBondContact O-N 2.91Å |
| 78 | R | 95.7 | Very high | 94.8 | Very high | 133 Ų | 133 | 99.2 Ų | 99.2 | 50% | 0.502 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 178.3 | -172.7 | 57.7 | 174.8 | 175.1 | 3.5 | 112.8 | L74 A80 E81 L82 | L74-R78 WeakPolarHBondContact O-CB 3.38Å; L74-R78 PolarHBondContact O-N 2.95Å; R78-A80 VanDerWaalsContact C-N 3.32Å; R78-E81 WeakPolarHBondContact CD-OE2 3.42Å; R78-E81 IonicContact CZ-OE2 2.8Å; R78-E81 IonicContact NH1-OE2 3.72Å; R78-E81 PolarHBondContact NH1-OE2 3.41Å; R78-E81 PolarHBondContact O-N 2.7Å; R78-L82 HydrophobicContact CG-CD1 4.19Å; R78-L82 HydrophobicContact CG-CG 4.45Å; R78-L82 WeakPolarHBondContact O-CB 3.31Å; R78-L82 VanDerWaalsContact O-CG 3.27Å; R78-L82 WeakPolarHBondContact O-CG 3.37Å; R78-L82 PolarHBondContact O-N 3.39Å |
| 79 | A | 95.2 | Very high | 94.9 | Very high | 34 Ų | 34 | 97 Ų | 97 | 28% | 0.281 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -33.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R75 Q76 T77 R83 | R75-A79 WeakPolarHBondContact O-CB 3.27Å; R75-A79 PolarHBondContact O-N 3.46Å; Q76-A79 PolarHBondContact O-N 2.95Å; T77-A79 VanDerWaalsContact C-N 3.33Å; T77-A79 PolarHBondContact O-N 3.38Å; A79-R83 WeakPolarHBondContact O-CB 3.32Å; A79-R83 VanDerWaalsContact O-CG 3.31Å; A79-R83 WeakPolarHBondContact O-CG 3.49Å; A79-R83 PolarHBondContact O-N 3.49Å; A79-R83 VanDerWaalsContact O-N 3.1Å; A79-R83 PolarHBondContact O-NE 2.99Å |
| 80 | A | 93.8 | Very high | 95.1 | Very high | 50 Ų | 50 | 93.7 Ų | 93.7 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.7 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q76 T77 R78 R83 S84 | Q76-A80 WeakPolarHBondContact O-CB 3.48Å; Q76-A80 PolarHBondContact O-N 3.33Å; T77-A80 WeakPolarHBondContact O-CB 3.23Å; T77-A80 PolarHBondContact O-N 3.35Å; T77-A80 VanDerWaalsContact O-N 3.08Å; R78-A80 VanDerWaalsContact C-N 3.32Å; A80-R83 PolarHBondContact O-N 3.42Å; A80-S84 PolarHBondContact O-N 2.91Å |
| 81 | E | 94.5 | Very high | 95.2 | Very high | 93 Ų | 93 | 91.2 Ų | 91.2 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56 | -53.7 | 172.9 | -71.9 | 169.8 | -169.7 | 0 | 0 | 111.2 | T77 R78 R83 S84 D85 | T77-E81 WeakPolarHBondContact O-CG 3.39Å; T77-E81 PolarHBondContact O-N 2.91Å; R78-E81 WeakPolarHBondContact CD-OE2 3.42Å; R78-E81 IonicContact CZ-OE2 2.8Å; R78-E81 IonicContact NH1-OE2 3.72Å; R78-E81 PolarHBondContact NH1-OE2 3.41Å; R78-E81 PolarHBondContact O-N 2.7Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 2.87Å; E81-S84 CarbonylContact O-C 3.57Å; E81-S84 WeakPolarHBondContact O-CA 3.39Å; E81-S84 VanDerWaalsContact O-CB 3.31Å; E81-S84 WeakPolarHBondContact O-CB 3.39Å; E81-S84 PolarHBondContact O-N 3.48Å; E81-D85 PolarHBondContact O-N 3.12Å |
| 82 | L | 95.7 | Very high | 95.2 | Very high | 79 Ų | 79 | 87.1 Ų | 87.1 | 41% | 0.414 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -36.6 | -179.5 | -71.8 | 173.7 | 0 | 0 | 0 | 112.6 | R78 D85 I86 | R78-L82 HydrophobicContact CG-CD1 4.19Å; R78-L82 HydrophobicContact CG-CG 4.45Å; R78-L82 WeakPolarHBondContact O-CB 3.31Å; R78-L82 VanDerWaalsContact O-CG 3.27Å; R78-L82 WeakPolarHBondContact O-CG 3.37Å; R78-L82 PolarHBondContact O-N 3.39Å; L82-D85 PolarHBondContact O-N 3.47Å; L82-I86 WeakPolarHBondContact O-CB 3.5Å; L82-I86 WeakPolarHBondContact O-CD1 3.39Å; L82-I86 WeakPolarHBondContact O-CG1 3.46Å; L82-I86 PolarHBondContact O-N 3.44Å |
| 83 | R | 95.9 | Very high | 95.4 | Very high | 158 Ų | 158 | 90.8 Ų | 90.8 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 174.1 | -80.1 | -175.5 | -70.1 | -111.1 | -1 | 111.9 | A79 A80 E81 A87 | A79-R83 WeakPolarHBondContact O-CB 3.32Å; A79-R83 VanDerWaalsContact O-CG 3.31Å; A79-R83 WeakPolarHBondContact O-CG 3.49Å; A79-R83 PolarHBondContact O-N 3.49Å; A79-R83 VanDerWaalsContact O-N 3.1Å; A79-R83 PolarHBondContact O-NE 2.99Å; A80-R83 PolarHBondContact O-N 3.42Å; E81-R83 VanDerWaalsContact C-N 3.28Å; E81-R83 PolarHBondContact O-N 2.87Å; R83-A87 WeakPolarHBondContact O-CB 3.46Å; R83-A87 PolarHBondContact O-N 3.28Å |
| 84 | S | 95.2 | Very high | 95.5 | Very high | 70 Ų | 70 | 93 Ų | 93 | 49% | 0.49 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 173.7 | -173.8 | 0 | 0 | 0 | 0 | 111 | A80 E81 I86 A87 V88 | A80-S84 PolarHBondContact O-N 2.91Å; E81-S84 CarbonylContact O-C 3.57Å; E81-S84 WeakPolarHBondContact O-CA 3.39Å; E81-S84 VanDerWaalsContact O-CB 3.31Å; E81-S84 WeakPolarHBondContact O-CB 3.39Å; E81-S84 PolarHBondContact O-N 3.48Å; S84-I86 PolarHBondContact O-N 3.49Å; S84-A87 WeakPolarHBondContact O-CB 3.49Å; S84-A87 PolarHBondContact O-N 2.72Å; S84-V88 WeakPolarHBondContact O-CG2 3.26Å; S84-V88 PolarHBondContact O-N 3.2Å |
| 85 | D | 95.4 | Very high | 95.7 | Very high | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 178.9 | -66.8 | -17.7 | 0 | 0 | 0 | 111.6 | E81 L82 A87 V88 L89 | E81-D85 PolarHBondContact O-N 3.12Å; L82-D85 PolarHBondContact O-N 3.47Å; D85-A87 VanDerWaalsContact C-N 3.33Å; D85-A87 PolarHBondContact O-N 3.25Å; D85-V88 PolarHBondContact O-N 3.31Å; D85-L89 WeakPolarHBondContact O-CB 3.44Å; D85-L89 VanDerWaalsContact O-CG 3.3Å; D85-L89 WeakPolarHBondContact O-CG 3.5Å; D85-L89 PolarHBondContact O-N 3.39Å |
| 86 | I | 96.5 | Very high | 95.8 | Very high | 113 Ų | 113 | 90.1 Ų | 90.1 | 58% | 0.579 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | 174.3 | -71.5 | 165.7 | 0 | 0 | 0 | 110.7 | L82 S84 L89 S90 | L82-I86 WeakPolarHBondContact O-CB 3.5Å; L82-I86 WeakPolarHBondContact O-CD1 3.39Å; L82-I86 WeakPolarHBondContact O-CG1 3.46Å; L82-I86 PolarHBondContact O-N 3.44Å; S84-I86 PolarHBondContact O-N 3.49Å; I86-L89 PolarHBondContact O-N 3.45Å; I86-S90 WeakPolarHBondContact O-CB 3.5Å; I86-S90 PolarHBondContact O-N 2.88Å; I86-S90 PolarHBondContact O-OG 3.47Å |
| 87 | A | 95.8 | Very high | 95.9 | Very high | 42 Ų | 42 | 88.1 Ų | 88.1 | 35% | 0.347 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R83 S84 D85 L89 S90 Q91 | R83-A87 WeakPolarHBondContact O-CB 3.46Å; R83-A87 PolarHBondContact O-N 3.28Å; S84-A87 WeakPolarHBondContact O-CB 3.49Å; S84-A87 PolarHBondContact O-N 2.72Å; D85-A87 VanDerWaalsContact C-N 3.33Å; D85-A87 PolarHBondContact O-N 3.25Å; A87-L89 PolarHBondContact O-N 2.87Å; A87-S90 WeakPolarHBondContact CA-OG 3.2Å; A87-S90 PolarHBondContact O-N 3.43Å; A87-S90 PolarHBondContact O-OG 3.41Å; A87-Q91 WeakPolarHBondContact O-CG 3.29Å; A87-Q91 PolarHBondContact O-N 2.93Å; A87-Q91 VanDerWaalsContact O-N 3.07Å |
| 88 | V | 95.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 90.2 Ų | 90.2 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 175.5 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | S84 D85 S90 Q91 T92 | S84-V88 WeakPolarHBondContact O-CG2 3.26Å; S84-V88 PolarHBondContact O-N 3.2Å; D85-V88 PolarHBondContact O-N 3.31Å; V88-S90 PolarHBondContact O-N 2.96Å; V88-Q91 PolarHBondContact O-N 3.39Å; V88-T92 HydrophobicContact CG1-CG2 4.47Å; V88-T92 WeakPolarHBondContact O-CG2 3.45Å; V88-T92 PolarHBondContact O-N 2.92Å; V88-T92 PolarHBondContact O-OG1 2.85Å |
| 89 | L | 96.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 92 Ų | 92 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 177.8 | -77.1 | 168.5 | 0 | 0 | 0 | 111.5 | D85 I86 A87 Q91 T92 F93 | D85-L89 WeakPolarHBondContact O-CB 3.44Å; D85-L89 VanDerWaalsContact O-CG 3.3Å; D85-L89 WeakPolarHBondContact O-CG 3.5Å; D85-L89 PolarHBondContact O-N 3.39Å; I86-L89 PolarHBondContact O-N 3.45Å; A87-L89 PolarHBondContact O-N 2.87Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 3.42Å; L89-T92 WeakPolarHBondContact CA-OG1 3.46Å; L89-T92 PolarHBondContact O-N 3.36Å; L89-T92 VanDerWaalsContact O-N 3.11Å; L89-T92 PolarHBondContact O-OG1 3.31Å; L89-F93 HydrophobicContact CB-CD2 4.42Å; L89-F93 HydrophobicContact CB-CE2 4.3Å; L89-F93 HydrophobicContact CD2-CE2 4.43Å; L89-F93 WeakPolarHBondContact O-CD2 3.31Å; L89-F93 PolarHBondContact O-N 3.11Å |
| 90 | S | 96.4 | Very high | 96.3 | Very high | 52 Ų | 52 | 96.4 Ų | 96.4 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 178 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | I86 A87 V88 T92 F93 E94 | I86-S90 WeakPolarHBondContact O-CB 3.5Å; I86-S90 PolarHBondContact O-N 2.88Å; I86-S90 PolarHBondContact O-OG 3.47Å; A87-S90 WeakPolarHBondContact CA-OG 3.2Å; A87-S90 PolarHBondContact O-N 3.43Å; A87-S90 PolarHBondContact O-OG 3.41Å; V88-S90 PolarHBondContact O-N 2.96Å; S90-T92 VanDerWaalsContact C-N 3.34Å; S90-T92 PolarHBondContact O-N 3.44Å; S90-F93 PolarHBondContact O-N 2.93Å; S90-E94 WeakPolarHBondContact O-CG 3.46Å; S90-E94 PolarHBondContact O-N 3.42Å |
| 91 | Q | 96.5 | Very high | 96.5 | Very high | 97 Ų | 97 | 97.8 Ų | 97.8 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 176.3 | -69.1 | 177.6 | 8.6 | 0 | 0 | 112.3 | A87 V88 L89 R95 | A87-Q91 WeakPolarHBondContact O-CG 3.29Å; A87-Q91 PolarHBondContact O-N 2.93Å; A87-Q91 VanDerWaalsContact O-N 3.07Å; V88-Q91 PolarHBondContact O-N 3.39Å; L89-Q91 VanDerWaalsContact C-N 3.34Å; L89-Q91 PolarHBondContact O-N 3.42Å; Q91-R95 VanDerWaalsContact O-CG 3.27Å; Q91-R95 WeakPolarHBondContact O-CG 3.45Å; Q91-R95 PolarHBondContact O-N 2.99Å |
| 92 | T | 96.2 | Very high | 96.7 | Very high | 58 Ų | 58 | 96.2 Ų | 96.2 | 36% | 0.356 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 111.9 | V88 L89 S90 R95 V96 | V88-T92 HydrophobicContact CG1-CG2 4.47Å; V88-T92 WeakPolarHBondContact O-CG2 3.45Å; V88-T92 PolarHBondContact O-N 2.92Å; V88-T92 PolarHBondContact O-OG1 2.85Å; L89-T92 WeakPolarHBondContact CA-OG1 3.46Å; L89-T92 PolarHBondContact O-N 3.36Å; L89-T92 VanDerWaalsContact O-N 3.11Å; L89-T92 PolarHBondContact O-OG1 3.31Å; S90-T92 VanDerWaalsContact C-N 3.34Å; S90-T92 PolarHBondContact O-N 3.44Å; T92-R95 PolarHBondContact O-N 3.33Å; T92-V96 VanDerWaalsContact O-CG2 3.29Å; T92-V96 WeakPolarHBondContact O-CG2 3.31Å; T92-V96 PolarHBondContact O-N 3.36Å |
| 93 | F | 96.9 | Very high | 96.8 | Very high | 131 Ų | 131 | 96.4 Ų | 96.4 | 58% | 0.575 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.4 | -45.1 | 176.4 | -78.3 | -60.5 | 0 | 0 | 0 | 111.7 | L89 S90 R95 V96 L97 | L89-F93 HydrophobicContact CB-CD2 4.42Å; L89-F93 HydrophobicContact CB-CE2 4.3Å; L89-F93 HydrophobicContact CD2-CE2 4.43Å; L89-F93 WeakPolarHBondContact O-CD2 3.31Å; L89-F93 PolarHBondContact O-N 3.11Å; S90-F93 PolarHBondContact O-N 2.93Å; F93-R95 PolarHBondContact O-N 3.09Å; F93-V96 PolarHBondContact O-N 3.08Å; F93-V96 VanDerWaalsContact O-N 3.14Å; F93-L97 WeakPolarHBondContact O-CB 3.41Å; F93-L97 WeakPolarHBondContact O-CG 3.46Å; F93-L97 PolarHBondContact O-N 3.5Å |
| 94 | E | 97.4 | Very high | 96.9 | Very high | 115 Ų | 115 | 93.4 Ų | 93.4 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56.5 | -48.6 | 175.1 | -75.3 | 175.1 | 176.1 | 0 | 0 | 111.2 | S90 V96 L97 D98 | S90-E94 WeakPolarHBondContact O-CG 3.46Å; S90-E94 PolarHBondContact O-N 3.42Å; E94-V96 VanDerWaalsContact C-N 3.29Å; E94-V96 PolarHBondContact O-N 3.31Å; E94-L97 WeakPolarHBondContact O-CB 3.33Å; E94-L97 PolarHBondContact O-N 3.42Å; E94-L97 VanDerWaalsContact O-N 3.13Å; E94-D98 PolarHBondContact O-N 3.32Å |
| 95 | R | 97.1 | Very high | 97 | Very high | 148 Ų | 148 | 97 Ų | 97 | 56% | 0.558 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.6 | -36.6 | 176.6 | -71.1 | 172.8 | -173.9 | 166 | 5.6 | 113.3 | Q91 T92 F93 R99 | Q91-R95 VanDerWaalsContact O-CG 3.27Å; Q91-R95 WeakPolarHBondContact O-CG 3.45Å; Q91-R95 PolarHBondContact O-N 2.99Å; T92-R95 PolarHBondContact O-N 3.33Å; F93-R95 PolarHBondContact O-N 3.09Å; R95-R99 WeakPolarHBondContact O-CB 3.33Å; R95-R99 WeakPolarHBondContact O-CD 3.38Å; R95-R99 WeakPolarHBondContact O-CG 3.48Å; R95-R99 PolarHBondContact O-N 3.48Å; R95-R99 VanDerWaalsContact O-N 3.17Å |
| 96 | V | 97.4 | Very high | 97.1 | Very high | 64 Ų | 64 | 96.7 Ų | 96.7 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.6 | -39.3 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | T92 F93 E94 R99 K100 | T92-V96 VanDerWaalsContact O-CG2 3.29Å; T92-V96 WeakPolarHBondContact O-CG2 3.31Å; T92-V96 PolarHBondContact O-N 3.36Å; F93-V96 PolarHBondContact O-N 3.08Å; F93-V96 VanDerWaalsContact O-N 3.14Å; E94-V96 VanDerWaalsContact C-N 3.29Å; E94-V96 PolarHBondContact O-N 3.31Å; V96-R99 PolarHBondContact O-N 2.98Å; V96-K100 HydrophobicContact CG1-CD 4.11Å; V96-K100 WeakPolarHBondContact O-CB 3.41Å; V96-K100 WeakPolarHBondContact O-CG 3.27Å; V96-K100 PolarHBondContact O-N 3.4Å |
| 97 | L | 97.9 | Very high | 97.2 | Very high | 100 Ų | 100 | 95.9 Ų | 95.9 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -49.8 | 174.1 | -74.2 | 171.9 | 0 | 0 | 0 | 110.6 | F93 E94 R99 K100 D101 | F93-L97 WeakPolarHBondContact O-CB 3.41Å; F93-L97 WeakPolarHBondContact O-CG 3.46Å; F93-L97 PolarHBondContact O-N 3.5Å; E94-L97 WeakPolarHBondContact O-CB 3.33Å; E94-L97 PolarHBondContact O-N 3.42Å; E94-L97 VanDerWaalsContact O-N 3.13Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 2.9Å; L97-K100 CarbonylContact O-C 3.57Å; L97-K100 PolarHBondContact O-N 2.91Å; L97-D101 WeakPolarHBondContact O-CB 3.35Å; L97-D101 PolarHBondContact O-N 3.2Å |
| 98 | D | 97.9 | Very high | 97.3 | Very high | 107 Ų | 107 | 98.2 Ų | 98.2 | 57% | 0.572 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.9 | -40.9 | 177.9 | -69.8 | -26.6 | 0 | 0 | 0 | 112.3 | E94 S102 | E94-D98 PolarHBondContact O-N 3.32Å; D98-S102 WeakPolarHBondContact O-CB 3.3Å; D98-S102 PolarHBondContact O-N 3.3Å; D98-S102 PolarHBondContact O-OG 2.92Å |
| 99 | R | 96.6 | Very high | 97.4 | Very high | 171 Ų | 171 | 97.5 Ų | 97.5 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 175.5 | -73.8 | 171.7 | -177.6 | -177.5 | 0.3 | 112.5 | R95 V96 L97 S102 V103 | R95-R99 WeakPolarHBondContact O-CB 3.33Å; R95-R99 WeakPolarHBondContact O-CD 3.38Å; R95-R99 WeakPolarHBondContact O-CG 3.48Å; R95-R99 PolarHBondContact O-N 3.48Å; R95-R99 VanDerWaalsContact O-N 3.17Å; V96-R99 PolarHBondContact O-N 2.98Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 2.9Å; R99-S102 PolarHBondContact O-OG 3.25Å; R99-V103 VanDerWaalsContact O-CG2 3.25Å; R99-V103 WeakPolarHBondContact O-CG2 3.28Å; R99-V103 PolarHBondContact O-N 2.71Å; R99-V103 VanDerWaalsContact O-N 3.11Å |
| 100 | K | 97.7 | Very high | 97.5 | Very high | 126 Ų | 126 | 97.3 Ų | 97.3 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 176.9 | -77 | 177.4 | 175.1 | -71.9 | 0 | 110.5 | V96 L97 S102 V103 I104 | V96-K100 HydrophobicContact CG1-CD 4.11Å; V96-K100 WeakPolarHBondContact O-CB 3.41Å; V96-K100 WeakPolarHBondContact O-CG 3.27Å; V96-K100 PolarHBondContact O-N 3.4Å; L97-K100 CarbonylContact O-C 3.57Å; L97-K100 PolarHBondContact O-N 2.91Å; K100-S102 VanDerWaalsContact C-N 3.35Å; K100-V103 PolarHBondContact O-N 3.03Å; K100-I104 VanDerWaalsContact O-CG1 3.26Å; K100-I104 WeakPolarHBondContact O-CG1 3.38Å; K100-I104 PolarHBondContact O-N 3.14Å |
| 101 | D | 98.2 | Very high | 97.6 | Very high | 78 Ų | 78 | 100.1 Ų | 100.1 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.8 | -76.7 | -11.6 | 0 | 0 | 0 | 111.8 | L97 I104 K105 | L97-D101 WeakPolarHBondContact O-CB 3.35Å; L97-D101 PolarHBondContact O-N 3.2Å; D101-I104 PolarHBondContact O-N 3.37Å; D101-K105 WeakPolarHBondContact O-CB 3.45Å; D101-K105 VanDerWaalsContact O-CG 3.26Å; D101-K105 WeakPolarHBondContact O-CG 3.37Å; D101-K105 PolarHBondContact O-N 2.98Å |
| 102 | S | 97.8 | Very high | 97.6 | Very high | 60 Ų | 60 | 98.4 Ų | 98.4 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 173.3 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | D98 R99 K100 K105 C106 | D98-S102 WeakPolarHBondContact O-CB 3.3Å; D98-S102 PolarHBondContact O-N 3.3Å; D98-S102 PolarHBondContact O-OG 2.92Å; R99-S102 PolarHBondContact O-OG 3.25Å; K100-S102 VanDerWaalsContact C-N 3.35Å; S102-K105 PolarHBondContact O-N 3.09Å; S102-C106 PolarHBondContact O-N 3.36Å; S102-C106 PolarHBondContact O-SG 2.85Å |
| 103 | V | 98.1 | Very high | 97.7 | Very high | 83 Ų | 83 | 100.6 Ų | 100.6 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.8 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | R99 K100 K105 C106 L107 | R99-V103 VanDerWaalsContact O-CG2 3.25Å; R99-V103 WeakPolarHBondContact O-CG2 3.28Å; R99-V103 PolarHBondContact O-N 2.71Å; R99-V103 VanDerWaalsContact O-N 3.11Å; K100-V103 PolarHBondContact O-N 3.03Å; V103-K105 VanDerWaalsContact C-N 3.33Å; V103-K105 PolarHBondContact O-N 3.33Å; V103-C106 PolarHBondContact O-N 3.43Å; V103-L107 HydrophobicContact CG1-CD1 3.92Å; V103-L107 HydrophobicContact CG1-CG 4.31Å; V103-L107 WeakPolarHBondContact O-CB 3.44Å; V103-L107 VanDerWaalsContact O-CG 3.32Å; V103-L107 WeakPolarHBondContact O-CG 3.31Å; V103-L107 PolarHBondContact O-N 3.13Å |
| 104 | I | 97.8 | Very high | 97.7 | Very high | 95 Ų | 95 | 96.8 Ų | 96.8 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 176.8 | -70.5 | 164.6 | 0 | 0 | 0 | 110.3 | K100 D101 C106 L107 V108 | K100-I104 VanDerWaalsContact O-CG1 3.26Å; K100-I104 WeakPolarHBondContact O-CG1 3.38Å; K100-I104 PolarHBondContact O-N 3.14Å; D101-I104 PolarHBondContact O-N 3.37Å; I104-C106 PolarHBondContact O-N 2.95Å; I104-L107 PolarHBondContact O-N 2.87Å; I104-V108 HydrophobicContact CG2-CG2 4.4Å; I104-V108 VanDerWaalsContact O-CG2 3.3Å; I104-V108 WeakPolarHBondContact O-CG2 3.31Å; I104-V108 PolarHBondContact O-N 2.91Å |
| 105 | K | 97.9 | Very high | 97.6 | Very high | 145 Ų | 145 | 97.6 Ų | 97.6 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -45.5 | 177.1 | -74.4 | 170.4 | -175.4 | 173.3 | 0 | 111.8 | D101 S102 V103 V108 C109 | D101-K105 WeakPolarHBondContact O-CB 3.45Å; D101-K105 VanDerWaalsContact O-CG 3.26Å; D101-K105 WeakPolarHBondContact O-CG 3.37Å; D101-K105 PolarHBondContact O-N 2.98Å; S102-K105 PolarHBondContact O-N 3.09Å; V103-K105 VanDerWaalsContact C-N 3.33Å; V103-K105 PolarHBondContact O-N 3.33Å; K105-V108 PolarHBondContact O-N 2.97Å; K105-C109 PolarHBondContact O-N 3.34Å; K105-C109 PolarHBondContact O-SG 3.41Å; K105-C109 VanDerWaalsContact O-SG 3.33Å |
| 106 | C | 97.7 | Very high | 97.7 | Very high | 74 Ų | 74 | 97.5 Ų | 97.5 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 175.5 | -65 | 0 | 0 | 0 | 0 | 111.3 | S102 V103 I104 V108 C109 D110 | S102-C106 PolarHBondContact O-N 3.36Å; S102-C106 PolarHBondContact O-SG 2.85Å; V103-C106 PolarHBondContact O-N 3.43Å; I104-C106 PolarHBondContact O-N 2.95Å; C106-V108 VanDerWaalsContact C-N 3.3Å; C106-V108 PolarHBondContact O-N 3.24Å; C106-C109 WeakPolarHBondContact O-CB 3.31Å; C106-C109 PolarHBondContact O-N 3.09Å; C106-C109 VanDerWaalsContact O-N 3.1Å; C106-D110 PolarHBondContact O-N 2.88Å |
| 107 | L | 97.8 | Very high | 97.6 | Very high | 96 Ų | 96 | 100.8 Ų | 100.8 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -35.8 | 178.9 | -71.2 | 173.4 | 0 | 0 | 0 | 112.9 | V103 I104 L111 | V103-L107 HydrophobicContact CG1-CD1 3.92Å; V103-L107 HydrophobicContact CG1-CG 4.31Å; V103-L107 WeakPolarHBondContact O-CB 3.44Å; V103-L107 VanDerWaalsContact O-CG 3.32Å; V103-L107 WeakPolarHBondContact O-CG 3.31Å; V103-L107 PolarHBondContact O-N 3.13Å; I104-L107 PolarHBondContact O-N 2.87Å; L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.49Å |
| 108 | V | 98.4 | Very high | 97.6 | Very high | 91 Ų | 91 | 99.6 Ų | 99.6 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -42 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | I104 K105 C106 L111 S112 | I104-V108 HydrophobicContact CG2-CG2 4.4Å; I104-V108 VanDerWaalsContact O-CG2 3.3Å; I104-V108 WeakPolarHBondContact O-CG2 3.31Å; I104-V108 PolarHBondContact O-N 2.91Å; K105-V108 PolarHBondContact O-N 2.97Å; C106-V108 VanDerWaalsContact C-N 3.3Å; C106-V108 PolarHBondContact O-N 3.24Å; V108-L111 PolarHBondContact O-N 3.08Å; V108-S112 PolarHBondContact O-N 3.49Å; V108-S112 PolarHBondContact O-OG 3.46Å |
| 109 | C | 98.3 | Very high | 97.6 | Very high | 65 Ų | 65 | 96.1 Ų | 96.1 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 173.4 | -66.1 | 0 | 0 | 0 | 0 | 110.9 | K105 C106 L111 S112 E113 | K105-C109 PolarHBondContact O-N 3.34Å; K105-C109 PolarHBondContact O-SG 3.41Å; K105-C109 VanDerWaalsContact O-SG 3.33Å; C106-C109 WeakPolarHBondContact O-CB 3.31Å; C106-C109 PolarHBondContact O-N 3.09Å; C106-C109 VanDerWaalsContact O-N 3.1Å; C109-L111 VanDerWaalsContact C-N 3.28Å; C109-L111 PolarHBondContact O-N 3.08Å; C109-S112 PolarHBondContact O-N 3.27Å; C109-S112 PolarHBondContact O-OG 3.34Å; C109-E113 WeakPolarHBondContact O-CG 3.39Å; C109-E113 PolarHBondContact O-N 2.9Å |
| 110 | D | 97.7 | Very high | 97.6 | Very high | 88 Ų | 88 | 92.9 Ų | 92.9 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.7 | -40.9 | 179.9 | -63.6 | -17.2 | 0 | 0 | 0 | 111.7 | C106 E113 A114 | C106-D110 PolarHBondContact O-N 2.88Å; D110-E113 PolarHBondContact O-N 3Å; D110-A114 VanDerWaalsContact O-CB 3.3Å; D110-A114 WeakPolarHBondContact O-CB 3.18Å; D110-A114 PolarHBondContact O-N 2.93Å |
| 111 | L | 97.8 | Very high | 97.6 | Very high | 111 Ų | 111 | 89.6 Ų | 89.6 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 174.5 | -78.7 | 170 | 0 | 0 | 0 | 111.8 | L107 V108 C109 E113 A114 E115 | L107-L111 WeakPolarHBondContact O-CB 3.26Å; L107-L111 VanDerWaalsContact O-CG 3.26Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.49Å; V108-L111 PolarHBondContact O-N 3.08Å; C109-L111 VanDerWaalsContact C-N 3.28Å; C109-L111 PolarHBondContact O-N 3.08Å; L111-E113 VanDerWaalsContact C-N 3.33Å; L111-E113 PolarHBondContact O-N 3.27Å; L111-A114 PolarHBondContact O-N 3.34Å; L111-E115 WeakPolarHBondContact O-CB 3.49Å; L111-E115 WeakPolarHBondContact O-CG 3.47Å; L111-E115 PolarHBondContact O-N 2.95Å |
| 112 | S | 97.9 | Very high | 97.6 | Very high | 61 Ų | 61 | 90.9 Ų | 90.9 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 178.8 | 71.8 | 0 | 0 | 0 | 0 | 112.5 | V108 C109 Q116 | V108-S112 PolarHBondContact O-N 3.49Å; V108-S112 PolarHBondContact O-OG 3.46Å; C109-S112 PolarHBondContact O-N 3.27Å; C109-S112 PolarHBondContact O-OG 3.34Å; S112-Q116 WeakPolarHBondContact O-CB 3.23Å; S112-Q116 PolarHBondContact O-N 2.93Å |
| 113 | E | 97.4 | Very high | 97.6 | Very high | 104 Ų | 104 | 95 Ų | 95 | 49% | 0.486 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 175.6 | -71.6 | -179.5 | -168.5 | 0 | 0 | 111.1 | C109 D110 L111 E115 Q116 Q117 | C109-E113 WeakPolarHBondContact O-CG 3.39Å; C109-E113 PolarHBondContact O-N 2.9Å; D110-E113 PolarHBondContact O-N 3Å; L111-E113 VanDerWaalsContact C-N 3.33Å; L111-E113 PolarHBondContact O-N 3.27Å; E113-E115 PolarHBondContact O-N 3.45Å; E113-Q116 PolarHBondContact O-N 3.29Å; E113-Q117 WeakPolarHBondContact O-CB 3.36Å; E113-Q117 VanDerWaalsContact O-CG 3.24Å; E113-Q117 WeakPolarHBondContact O-CG 3.24Å; E113-Q117 PolarHBondContact O-N 2.88Å |
| 114 | A | 96.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 93.5 Ų | 93.5 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | D110 L111 Q117 S118 | D110-A114 VanDerWaalsContact O-CB 3.3Å; D110-A114 WeakPolarHBondContact O-CB 3.18Å; D110-A114 PolarHBondContact O-N 2.93Å; L111-A114 PolarHBondContact O-N 3.34Å; A114-Q117 PolarHBondContact O-N 3.44Å; A114-S118 WeakPolarHBondContact O-CB 3.43Å; A114-S118 PolarHBondContact O-N 2.94Å |
| 115 | E | 97.1 | Very high | 97.5 | Very high | 132 Ų | 132 | 94.5 Ų | 94.5 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -46.4 | 174.2 | -77.1 | -179.5 | 177.3 | 0 | 0 | 111.3 | L111 E113 Q117 S118 A119 | L111-E115 WeakPolarHBondContact O-CB 3.49Å; L111-E115 WeakPolarHBondContact O-CG 3.47Å; L111-E115 PolarHBondContact O-N 2.95Å; E113-E115 PolarHBondContact O-N 3.45Å; E115-Q117 PolarHBondContact O-N 3.43Å; E115-S118 PolarHBondContact O-N 3Å; E115-S118 PolarHBondContact O-OG 2.98Å; E115-A119 WeakPolarHBondContact O-CB 3.49Å; E115-A119 PolarHBondContact O-N 3.41Å |
| 116 | Q | 97.8 | Very high | 97.5 | Very high | 145 Ų | 145 | 91.8 Ų | 91.8 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 177.8 | -176.9 | 176.1 | -7.9 | 0 | 0 | 112 | S112 E113 S118 A119 Q120 | S112-Q116 WeakPolarHBondContact O-CB 3.23Å; S112-Q116 PolarHBondContact O-N 2.93Å; E113-Q116 PolarHBondContact O-N 3.29Å; Q116-S118 VanDerWaalsContact C-N 3.34Å; Q116-A119 PolarHBondContact O-N 3.3Å; Q116-Q120 WeakPolarHBondContact O-CB 3.33Å; Q116-Q120 PolarHBondContact O-N 3.49Å |
| 117 | Q | 96.7 | Very high | 97.6 | Very high | 133 Ų | 133 | 94 Ų | 94 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 175.4 | -72.1 | 172.8 | 15.2 | 0 | 0 | 111.2 | E113 A114 E115 A119 Q120 A121 | E113-Q117 WeakPolarHBondContact O-CB 3.36Å; E113-Q117 VanDerWaalsContact O-CG 3.24Å; E113-Q117 WeakPolarHBondContact O-CG 3.24Å; E113-Q117 PolarHBondContact O-N 2.88Å; A114-Q117 PolarHBondContact O-N 3.44Å; E115-Q117 PolarHBondContact O-N 3.43Å; Q117-A119 PolarHBondContact O-N 3Å; Q117-Q120 PolarHBondContact O-N 2.96Å; Q117-A121 WeakPolarHBondContact O-CB 3.42Å; Q117-A121 PolarHBondContact O-N 3.37Å |
| 118 | S | 96.6 | Very high | 97.6 | Very high | 75 Ų | 75 | 93.1 Ų | 93.1 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 177.6 | 80 | 0 | 0 | 0 | 0 | 112.2 | A114 E115 Q116 A121 L122 | A114-S118 WeakPolarHBondContact O-CB 3.43Å; A114-S118 PolarHBondContact O-N 2.94Å; E115-S118 PolarHBondContact O-N 3Å; E115-S118 PolarHBondContact O-OG 2.98Å; Q116-S118 VanDerWaalsContact C-N 3.34Å; S118-A121 PolarHBondContact O-N 3.49Å; S118-L122 WeakPolarHBondContact O-CB 3.27Å; S118-L122 PolarHBondContact O-N 3Å |
| 119 | A | 97.5 | Very high | 97.6 | Very high | 35 Ų | 35 | 91.2 Ų | 91.2 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E115 Q116 Q117 L122 R123 | E115-A119 WeakPolarHBondContact O-CB 3.49Å; E115-A119 PolarHBondContact O-N 3.41Å; Q116-A119 PolarHBondContact O-N 3.3Å; Q117-A119 PolarHBondContact O-N 3Å; A119-L122 PolarHBondContact O-N 3.49Å; A119-R123 WeakPolarHBondContact O-CG 3.43Å; A119-R123 PolarHBondContact O-N 3.47Å |
| 120 | Q | 97.8 | Very high | 97.6 | Very high | 102 Ų | 102 | 93 Ų | 93 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -43.5 | 176.2 | -173.9 | 58.6 | 30.7 | 0 | 0 | 111.7 | Q116 Q117 L122 R123 S124 | Q116-Q120 WeakPolarHBondContact O-CB 3.33Å; Q116-Q120 PolarHBondContact O-N 3.49Å; Q117-Q120 PolarHBondContact O-N 2.96Å; Q120-L122 VanDerWaalsContact C-N 3.33Å; Q120-L122 PolarHBondContact O-N 3.39Å; Q120-R123 PolarHBondContact O-N 2.89Å; Q120-S124 PolarHBondContact O-N 2.96Å; Q120-S124 PolarHBondContact O-OG 2.88Å |
| 121 | A | 97.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 92.9 Ų | 92.9 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q117 S118 S124 H125 | Q117-A121 WeakPolarHBondContact O-CB 3.42Å; Q117-A121 PolarHBondContact O-N 3.37Å; S118-A121 PolarHBondContact O-N 3.49Å; A121-S124 PolarHBondContact O-N 3.46Å; A121-S124 PolarHBondContact O-OG 3.37Å; A121-H125 WeakPolarHBondContact O-CB 3.47Å; A121-H125 PolarHBondContact O-N 2.97Å |
| 122 | L | 97.6 | Very high | 97.6 | Very high | 106 Ų | 106 | 92.6 Ų | 92.6 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -46.4 | 176.9 | -177.1 | 65.7 | 0 | 0 | 0 | 111.9 | S118 A119 Q120 S124 H125 L126 | S118-L122 WeakPolarHBondContact O-CB 3.27Å; S118-L122 PolarHBondContact O-N 3Å; A119-L122 PolarHBondContact O-N 3.49Å; Q120-L122 VanDerWaalsContact C-N 3.33Å; Q120-L122 PolarHBondContact O-N 3.39Å; L122-S124 PolarHBondContact O-N 2.89Å; L122-H125 PolarHBondContact O-N 3.5Å; L122-L126 HydrophobicContact CD1-CG 4.49Å; L122-L126 HydrophobicContact CG-CD1 4.18Å; L122-L126 VanDerWaalsContact O-CG 3.31Å; L122-L126 WeakPolarHBondContact O-CG 3.45Å; L122-L126 PolarHBondContact O-N 2.86Å |
| 123 | R | 98.1 | Very high | 97.6 | Very high | 146 Ų | 146 | 93.9 Ų | 93.9 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59 | -48.4 | 176.8 | -73.8 | 173.9 | -170.2 | 152.2 | 2.6 | 111.5 | A119 Q120 H125 L126 E127 | A119-R123 WeakPolarHBondContact O-CG 3.43Å; A119-R123 PolarHBondContact O-N 3.47Å; Q120-R123 PolarHBondContact O-N 2.89Å; R123-H125 VanDerWaalsContact C-N 3.3Å; R123-H125 PolarHBondContact O-N 3.25Å; R123-L126 PolarHBondContact O-N 3.49Å; R123-L126 VanDerWaalsContact O-N 3.14Å; R123-E127 WeakPolarHBondContact O-CG 3.39Å; R123-E127 PolarHBondContact O-N 3.43Å |
| 124 | S | 97.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 91.9 Ų | 91.9 | 36% | 0.357 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 179.1 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | Q120 A121 L122 E127 C128 | Q120-S124 PolarHBondContact O-N 2.96Å; Q120-S124 PolarHBondContact O-OG 2.88Å; A121-S124 PolarHBondContact O-N 3.46Å; A121-S124 PolarHBondContact O-OG 3.37Å; L122-S124 PolarHBondContact O-N 2.89Å; S124-E127 PolarHBondContact O-N 3.47Å; S124-C128 PolarHBondContact O-N 3.47Å; S124-C128 PolarHBondContact O-SG 2.88Å; S124-C128 VanDerWaalsContact O-SG 3.34Å |
| 125 | H | 97.6 | Very high | 97.7 | Very high | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 174 | 177 | -86 | 0 | 0 | 0 | 111.7 | A121 L122 R123 E127 C128 V129 | A121-H125 WeakPolarHBondContact O-CB 3.47Å; A121-H125 PolarHBondContact O-N 2.97Å; L122-H125 PolarHBondContact O-N 3.5Å; R123-H125 VanDerWaalsContact C-N 3.3Å; R123-H125 PolarHBondContact O-N 3.25Å; H125-E127 VanDerWaalsContact C-N 3.35Å; H125-C128 WeakPolarHBondContact O-CB 3.46Å; H125-C128 PolarHBondContact O-N 3.5Å; H125-V129 VanDerWaalsContact CE1-CG2 3.48Å; H125-V129 WeakPolarHBondContact CE1-CG2 3.39Å; H125-V129 WeakPolarHBondContact O-CG2 3.35Å; H125-V129 PolarHBondContact O-N 3.36Å |
| 126 | L | 98.1 | Very high | 97.7 | Very high | 88 Ų | 88 | 92.8 Ų | 92.8 | 46% | 0.461 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.1 | -70.6 | 172.8 | 0 | 0 | 0 | 111.5 | L122 R123 C128 V129 D130 | L122-L126 HydrophobicContact CD1-CG 4.49Å; L122-L126 HydrophobicContact CG-CD1 4.18Å; L122-L126 VanDerWaalsContact O-CG 3.31Å; L122-L126 WeakPolarHBondContact O-CG 3.45Å; L122-L126 PolarHBondContact O-N 2.86Å; R123-L126 PolarHBondContact O-N 3.49Å; R123-L126 VanDerWaalsContact O-N 3.14Å; L126-C128 VanDerWaalsContact C-N 3.34Å; L126-C128 PolarHBondContact O-N 3.39Å; L126-V129 PolarHBondContact O-N 3.5Å; L126-V129 VanDerWaalsContact O-N 3.15Å; L126-D130 PolarHBondContact O-N 2.86Å |
| 127 | E | 98.3 | Very high | 97.8 | Very high | 121 Ų | 121 | 92.8 Ų | 92.8 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.4 | -43.6 | 174.1 | -71.7 | 169.4 | -177.6 | 0 | 0 | 111.7 | R123 S124 H125 V129 D130 C131 | R123-E127 WeakPolarHBondContact O-CG 3.39Å; R123-E127 PolarHBondContact O-N 3.43Å; S124-E127 PolarHBondContact O-N 3.47Å; H125-E127 VanDerWaalsContact C-N 3.35Å; E127-V129 VanDerWaalsContact C-N 3.35Å; E127-V129 PolarHBondContact O-N 3.04Å; E127-D130 PolarHBondContact O-N 3.46Å; E127-C131 PolarHBondContact O-N 3.05Å; E127-C131 PolarHBondContact O-SG 3.31Å |
| 128 | C | 97.8 | Very high | 97.8 | Very high | 78 Ų | 78 | 88.5 Ų | 88.5 | 53% | 0.527 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 174 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | S124 H125 L126 C131 L132 | S124-C128 PolarHBondContact O-N 3.47Å; S124-C128 PolarHBondContact O-SG 2.88Å; S124-C128 VanDerWaalsContact O-SG 3.34Å; H125-C128 WeakPolarHBondContact O-CB 3.46Å; H125-C128 PolarHBondContact O-N 3.5Å; L126-C128 VanDerWaalsContact C-N 3.34Å; L126-C128 PolarHBondContact O-N 3.39Å; C128-C131 PolarHBondContact O-N 3.29Å; C128-L132 WeakPolarHBondContact O-CG 3.32Å; C128-L132 PolarHBondContact O-N 2.96Å |
| 129 | V | 98.2 | Very high | 97.9 | Very high | 50 Ų | 50 | 92.1 Ų | 92.1 | 30% | 0.303 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 176.3 | 171 | 0 | 0 | 0 | 0 | 111 | H125 L126 E127 C131 L132 L133 | H125-V129 VanDerWaalsContact CE1-CG2 3.48Å; H125-V129 WeakPolarHBondContact CE1-CG2 3.39Å; H125-V129 WeakPolarHBondContact O-CG2 3.35Å; H125-V129 PolarHBondContact O-N 3.36Å; L126-V129 PolarHBondContact O-N 3.5Å; L126-V129 VanDerWaalsContact O-N 3.15Å; E127-V129 VanDerWaalsContact C-N 3.35Å; E127-V129 PolarHBondContact O-N 3.04Å; V129-C131 VanDerWaalsContact C-N 3.34Å; V129-C131 PolarHBondContact O-N 3.28Å; V129-L132 WeakPolarHBondContact O-CB 3.31Å; V129-L132 PolarHBondContact O-N 2.9Å; V129-L133 HydrophobicContact CG1-CD1 4.07Å; V129-L133 HydrophobicContact CG1-CG 4.33Å; V129-L133 WeakPolarHBondContact O-CB 3.43Å; V129-L133 WeakPolarHBondContact O-CG 3.36Å; V129-L133 PolarHBondContact O-N 3.46Å |
| 130 | D | 98.4 | Very high | 97.9 | Very high | 102 Ų | 102 | 95.9 Ų | 95.9 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.9 | -74.4 | -27.7 | 0 | 0 | 0 | 111.8 | L126 E127 L133 A134 | L126-D130 PolarHBondContact O-N 2.86Å; E127-D130 PolarHBondContact O-N 3.46Å; D130-L133 PolarHBondContact O-N 3Å; D130-A134 WeakPolarHBondContact O-CB 3.41Å; D130-A134 PolarHBondContact O-N 2.98Å |
| 131 | C | 98.2 | Very high | 98 | Very high | 86 Ų | 86 | 93.6 Ų | 93.6 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 172.9 | -67.3 | 0 | 0 | 0 | 0 | 111.6 | E127 C128 V129 A134 L135 | E127-C131 PolarHBondContact O-N 3.05Å; E127-C131 PolarHBondContact O-SG 3.31Å; C128-C131 PolarHBondContact O-N 3.29Å; V129-C131 VanDerWaalsContact C-N 3.34Å; V129-C131 PolarHBondContact O-N 3.28Å; C131-A134 PolarHBondContact O-N 3.39Å; C131-L135 WeakPolarHBondContact O-CB 3.35Å; C131-L135 PolarHBondContact O-N 2.99Å |
| 132 | L | 98 | Very high | 98 | Very high | 106 Ų | 106 | 93.1 Ų | 93.1 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 175.4 | -72.6 | 173.3 | 0 | 0 | 0 | 111.7 | C128 V129 L135 Q136 | C128-L132 WeakPolarHBondContact O-CG 3.32Å; C128-L132 PolarHBondContact O-N 2.96Å; V129-L132 WeakPolarHBondContact O-CB 3.31Å; V129-L132 PolarHBondContact O-N 2.9Å; L132-L135 PolarHBondContact O-N 3.38Å; L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 3.49Å |
| 133 | L | 98.1 | Very high | 98 | Very high | 88 Ų | 88 | 90.9 Ų | 90.9 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -42 | 176.3 | -73.2 | 174.3 | 0 | 0 | 0 | 111.5 | V129 D130 Q136 K137 | V129-L133 HydrophobicContact CG1-CD1 4.07Å; V129-L133 HydrophobicContact CG1-CG 4.33Å; V129-L133 WeakPolarHBondContact O-CB 3.43Å; V129-L133 WeakPolarHBondContact O-CG 3.36Å; V129-L133 PolarHBondContact O-N 3.46Å; D130-L133 PolarHBondContact O-N 3Å; L133-Q136 PolarHBondContact O-N 3.43Å; L133-K137 WeakPolarHBondContact O-CB 3.47Å; L133-K137 VanDerWaalsContact O-CG 3.28Å; L133-K137 WeakPolarHBondContact O-CG 3.23Å; L133-K137 PolarHBondContact O-N 3.19Å |
| 134 | A | 98.2 | Very high | 98 | Very high | 61 Ų | 61 | 89.6 Ų | 89.6 | 50% | 0.504 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D130 C131 K137 G138 | D130-A134 WeakPolarHBondContact O-CB 3.41Å; D130-A134 PolarHBondContact O-N 2.98Å; C131-A134 PolarHBondContact O-N 3.39Å; A134-K137 PolarHBondContact O-N 3.47Å; A134-G138 PolarHBondContact O-N 3.5Å |
| 135 | L | 98 | Very high | 98.1 | Very high | 118 Ų | 118 | 94.1 Ų | 94.1 | 62% | 0.618 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -45.9 | 175.3 | -172.6 | 77.2 | 0 | 0 | 0 | 111.6 | C131 L132 G138 R139 | C131-L135 WeakPolarHBondContact O-CB 3.35Å; C131-L135 PolarHBondContact O-N 2.99Å; L132-L135 PolarHBondContact O-N 3.38Å; L135-G138 PolarHBondContact O-N 2.94Å; L135-R139 WeakPolarHBondContact O-CB 3.4Å; L135-R139 PolarHBondContact O-N 2.89Å |
| 136 | Q | 97.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 94.1 Ų | 94.1 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 178.5 | -66.8 | -55.2 | -28.1 | 0 | 0 | 112.2 | L132 L133 R139 L140 | L132-Q136 WeakPolarHBondContact O-CG 3.41Å; L132-Q136 PolarHBondContact O-N 3.49Å; L133-Q136 PolarHBondContact O-N 3.43Å; Q136-R139 PolarHBondContact O-N 2.94Å; Q136-L140 WeakPolarHBondContact O-CB 3.33Å; Q136-L140 WeakPolarHBondContact O-CG 3.32Å; Q136-L140 PolarHBondContact O-N 3.04Å |
| 137 | K | 98.1 | Very high | 98.1 | Very high | 146 Ų | 146 | 99.1 Ų | 99.1 | 64% | 0.635 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -44.8 | 173 | -74.9 | 173.6 | -178.4 | 177.6 | 0 | 111.4 | L133 A134 L140 A141 | L133-K137 WeakPolarHBondContact O-CB 3.47Å; L133-K137 VanDerWaalsContact O-CG 3.28Å; L133-K137 WeakPolarHBondContact O-CG 3.23Å; L133-K137 PolarHBondContact O-N 3.19Å; A134-K137 PolarHBondContact O-N 3.47Å; K137-L140 PolarHBondContact O-N 2.95Å; K137-A141 WeakPolarHBondContact O-CB 3.43Å; K137-A141 PolarHBondContact O-N 2.91Å |
| 138 | G | 98.2 | Very high | 98.1 | Very high | 42 Ų | 42 | 97 Ų | 97 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A134 L135 A141 S142 | A134-G138 PolarHBondContact O-N 3.5Å; L135-G138 PolarHBondContact O-N 2.94Å; G138-A141 PolarHBondContact O-N 3.24Å; G138-S142 PolarHBondContact O-N 3.42Å; G138-S142 PolarHBondContact O-OG 2.93Å |
| 139 | R | 98.3 | Very high | 98.1 | Very high | 152 Ų | 152 | 96.5 Ų | 96.5 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.6 | -47.7 | 175 | -177.2 | -176.9 | 173.5 | -161.2 | 0.3 | 111.8 | L135 Q136 S142 L143 | L135-R139 WeakPolarHBondContact O-CB 3.4Å; L135-R139 PolarHBondContact O-N 2.89Å; Q136-R139 PolarHBondContact O-N 2.94Å; R139-S142 PolarHBondContact O-N 2.88Å; R139-S142 PolarHBondContact O-OG 2.86Å; R139-L143 HydrophobicContact CG-CD1 4.19Å; R139-L143 WeakPolarHBondContact O-CG 3.45Å; R139-L143 PolarHBondContact O-N 3.32Å |
| 140 | L | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 96.1 Ų | 96.1 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 178.3 | -74.4 | 171.6 | 0 | 0 | 0 | 111.6 | Q136 K137 S142 L143 E144 | Q136-L140 WeakPolarHBondContact O-CB 3.33Å; Q136-L140 WeakPolarHBondContact O-CG 3.32Å; Q136-L140 PolarHBondContact O-N 3.04Å; K137-L140 PolarHBondContact O-N 2.95Å; L140-S142 VanDerWaalsContact C-N 3.33Å; L140-S142 PolarHBondContact O-N 2.93Å; L140-L143 PolarHBondContact O-N 3.39Å; L140-E144 WeakPolarHBondContact O-CB 3.2Å; L140-E144 PolarHBondContact O-N 2.89Å |
| 141 | A | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 96.8 Ų | 96.8 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K137 G138 E144 Q145 | K137-A141 WeakPolarHBondContact O-CB 3.43Å; K137-A141 PolarHBondContact O-N 2.91Å; G138-A141 PolarHBondContact O-N 3.24Å; A141-E144 PolarHBondContact O-N 3.23Å; A141-Q145 WeakPolarHBondContact O-CB 3.39Å; A141-Q145 PolarHBondContact O-N 3.33Å |
| 142 | S | 98.2 | Very high | 98.1 | Very high | 46 Ų | 46 | 99.3 Ų | 99.3 | 32% | 0.322 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 176.6 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | G138 R139 L140 Q146 | G138-S142 PolarHBondContact O-N 3.42Å; G138-S142 PolarHBondContact O-OG 2.93Å; R139-S142 PolarHBondContact O-N 2.88Å; R139-S142 PolarHBondContact O-OG 2.86Å; L140-S142 VanDerWaalsContact C-N 3.33Å; L140-S142 PolarHBondContact O-N 2.93Å; S142-Q146 WeakPolarHBondContact O-CB 3.41Å; S142-Q146 VanDerWaalsContact O-CG 3.23Å; S142-Q146 WeakPolarHBondContact O-CG 3.41Å; S142-Q146 PolarHBondContact O-N 3.21Å |
| 143 | L | 98 | Very high | 98.1 | Very high | 59 Ų | 59 | 95.7 Ų | 95.7 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 176.3 | -75.8 | 170.2 | 0 | 0 | 0 | 111.2 | R139 L140 Q146 W147 | R139-L143 HydrophobicContact CG-CD1 4.19Å; R139-L143 WeakPolarHBondContact O-CG 3.45Å; R139-L143 PolarHBondContact O-N 3.32Å; L140-L143 PolarHBondContact O-N 3.39Å; L143-Q146 PolarHBondContact O-N 3.34Å; L143-W147 WeakPolarHBondContact O-CB 3.44Å; L143-W147 VanDerWaalsContact O-CG 3.31Å; L143-W147 PolarHBondContact O-N 2.85Å |
| 144 | E | 98.3 | Very high | 98.1 | Very high | 120 Ų | 120 | 96.8 Ų | 96.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 175.6 | -176.1 | 175.9 | -173.9 | 0 | 0 | 111.1 | L140 A141 Q146 W147 N148 | L140-E144 WeakPolarHBondContact O-CB 3.2Å; L140-E144 PolarHBondContact O-N 2.89Å; A141-E144 PolarHBondContact O-N 3.23Å; E144-Q146 PolarHBondContact O-N 3.48Å; E144-W147 PolarHBondContact O-N 2.87Å; E144-N148 WeakPolarHBondContact O-CB 3.46Å; E144-N148 PolarHBondContact O-N 2.93Å; E144-N148 PolarHBondContact O-ND2 3.35Å |
| 145 | Q | 98.3 | Very high | 98.1 | Very high | 145 Ų | 145 | 96.8 Ų | 96.8 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.1 | -45.5 | 175.6 | -175.2 | -178.6 | -0.5 | 0 | 0 | 111.9 | A141 W147 N148 S149 | A141-Q145 WeakPolarHBondContact O-CB 3.39Å; A141-Q145 PolarHBondContact O-N 3.33Å; Q145-W147 PolarHBondContact O-N 2.95Å; Q145-N148 PolarHBondContact O-N 3.3Å; Q145-S149 WeakPolarHBondContact O-CB 3.49Å; Q145-S149 PolarHBondContact O-N 2.96Å; Q145-S149 PolarHBondContact O-OG 3.39Å |
| 146 | Q | 98.2 | Very high | 98.1 | Very high | 117 Ų | 117 | 99.3 Ų | 99.3 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 177.3 | -75.5 | 169.9 | 18.1 | 0 | 0 | 111.4 | S142 L143 E144 S149 G150 | S142-Q146 WeakPolarHBondContact O-CB 3.41Å; S142-Q146 VanDerWaalsContact O-CG 3.23Å; S142-Q146 WeakPolarHBondContact O-CG 3.41Å; S142-Q146 PolarHBondContact O-N 3.21Å; L143-Q146 PolarHBondContact O-N 3.34Å; E144-Q146 PolarHBondContact O-N 3.48Å; Q146-S149 WeakPolarHBondContact CA-OG 3.32Å; Q146-S149 PolarHBondContact O-N 2.91Å; Q146-S149 PolarHBondContact O-OG 3.34Å; Q146-G150 PolarHBondContact O-N 3.5Å |
| 147 | W | 97.9 | Very high | 98.2 | Very high | 192 Ų | 192 | 100.8 Ų | 100.8 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -46.6 | 177.3 | -75.2 | 5.2 | 0 | 0 | 0 | 112.3 | L143 E144 Q145 G150 L151 | L143-W147 WeakPolarHBondContact O-CB 3.44Å; L143-W147 VanDerWaalsContact O-CG 3.31Å; L143-W147 PolarHBondContact O-N 2.85Å; E144-W147 PolarHBondContact O-N 2.87Å; Q145-W147 PolarHBondContact O-N 2.95Å; W147-G150 PolarHBondContact O-N 2.88Å; W147-L151 WeakPolarHBondContact O-CB 3.38Å; W147-L151 PolarHBondContact O-N 3.26Å |
| 148 | N | 98.4 | Very high | 98.1 | Very high | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 178 | -69.1 | -19.5 | 0 | 0 | 0 | 110.9 | E144 Q145 G150 L151 E152 | E144-N148 WeakPolarHBondContact O-CB 3.46Å; E144-N148 PolarHBondContact O-N 2.93Å; E144-N148 PolarHBondContact O-ND2 3.35Å; Q145-N148 PolarHBondContact O-N 3.3Å; N148-G150 VanDerWaalsContact C-N 3.34Å; N148-G150 PolarHBondContact O-N 3.42Å; N148-L151 PolarHBondContact O-N 3.08Å; N148-E152 WeakPolarHBondContact O-CB 3.49Å; N148-E152 WeakPolarHBondContact O-CG 3.29Å; N148-E152 PolarHBondContact O-N 2.88Å |
| 149 | S | 97.8 | Very high | 98.1 | Very high | 66 Ų | 66 | 100.9 Ų | 100.9 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 176.5 | 69.5 | 0 | 0 | 0 | 0 | 112.9 | Q145 Q146 G153 | Q145-S149 WeakPolarHBondContact O-CB 3.49Å; Q145-S149 PolarHBondContact O-N 2.96Å; Q145-S149 PolarHBondContact O-OG 3.39Å; Q146-S149 WeakPolarHBondContact CA-OG 3.32Å; Q146-S149 PolarHBondContact O-N 2.91Å; Q146-S149 PolarHBondContact O-OG 3.34Å; S149-G153 PolarHBondContact O-N 2.81Å |
| 150 | G | 98.2 | Very high | 98.1 | Very high | 42 Ų | 42 | 95.2 Ų | 95.2 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q146 W147 N148 L154 | Q146-G150 PolarHBondContact O-N 3.5Å; W147-G150 PolarHBondContact O-N 2.88Å; N148-G150 VanDerWaalsContact C-N 3.34Å; N148-G150 PolarHBondContact O-N 3.42Å; G150-L154 WeakPolarHBondContact O-CB 3.41Å; G150-L154 PolarHBondContact O-N 3.33Å |
| 151 | L | 98.1 | Very high | 98.1 | Very high | 116 Ų | 116 | 95.2 Ų | 95.2 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | 175.6 | -175.9 | 67.1 | 0 | 0 | 0 | 111.6 | W147 N148 S155 | W147-L151 WeakPolarHBondContact O-CB 3.38Å; W147-L151 PolarHBondContact O-N 3.26Å; N148-L151 PolarHBondContact O-N 3.08Å; L151-S155 VanDerWaalsContact O-CB 3.24Å; L151-S155 WeakPolarHBondContact O-CB 3.28Å; L151-S155 PolarHBondContact O-N 3.17Å |
| 152 | E | 98.3 | Very high | 98.1 | Very high | 139 Ų | 139 | 99.3 Ų | 99.3 | 65% | 0.65 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -45.9 | 175 | -75.2 | 174.1 | -175 | 0 | 0 | 111.3 | N148 S155 Y156 | N148-E152 WeakPolarHBondContact O-CB 3.49Å; N148-E152 WeakPolarHBondContact O-CG 3.29Å; N148-E152 PolarHBondContact O-N 2.88Å; E152-S155 PolarHBondContact O-N 3.41Å; E152-Y156 WeakPolarHBondContact O-CB 3.43Å; E152-Y156 PolarHBondContact O-N 3.29Å |
| 153 | G | 98.1 | Very high | 98.1 | Very high | 30 Ų | 30 | 103.8 Ų | 103.8 | 31% | 0.309 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S149 S155 Y156 E157 | S149-G153 PolarHBondContact O-N 2.81Å; G153-S155 VanDerWaalsContact C-N 3.33Å; G153-S155 PolarHBondContact O-N 3.43Å; G153-Y156 PolarHBondContact O-N 3.1Å; G153-E157 WeakPolarHBondContact O-CG 3.43Å; G153-E157 PolarHBondContact O-N 2.85Å |
| 154 | L | 97.9 | Very high | 98.1 | Very high | 111 Ų | 111 | 106 Ų | 106 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.1 | -39.6 | 178 | -175.8 | 65.6 | 0 | 0 | 0 | 112.1 | G150 Y156 F158 | G150-L154 WeakPolarHBondContact O-CB 3.41Å; G150-L154 PolarHBondContact O-N 3.33Å; L154-Y156 VanDerWaalsContact C-N 3.34Å; L154-F158 VanDerWaalsContact O-CB 3.27Å; L154-F158 WeakPolarHBondContact O-CB 3.36Å; L154-F158 PolarHBondContact O-N 3.22Å |
| 155 | S | 98.1 | Very high | 98 | Very high | 61 Ų | 61 | 105.5 Ų | 105.5 | 43% | 0.427 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 176.9 | -174 | 0 | 0 | 0 | 0 | 111.5 | L151 E152 G153 N159 | L151-S155 VanDerWaalsContact O-CB 3.24Å; L151-S155 WeakPolarHBondContact O-CB 3.28Å; L151-S155 PolarHBondContact O-N 3.17Å; E152-S155 PolarHBondContact O-N 3.41Å; G153-S155 VanDerWaalsContact C-N 3.33Å; G153-S155 PolarHBondContact O-N 3.43Å; S155-N159 VanDerWaalsContact O-CB 3.31Å; S155-N159 WeakPolarHBondContact O-CB 3.46Å; S155-N159 VanDerWaalsContact O-CG 3.22Å; S155-N159 PolarHBondContact O-N 3.47Å; S155-N159 PolarHBondContact O-ND2 3Å; S155-N159 PolarHBondContact OG-ND2 2.9Å |
| 156 | Y | 98.3 | Very high | 98 | Very high | 172 Ų | 172 | 102.5 Ų | 102.5 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.9 | -49.2 | 175.9 | 177.8 | -97.9 | 0 | 0 | 0 | 111.6 | E152 G153 L154 F158 N159 S160 | E152-Y156 WeakPolarHBondContact O-CB 3.43Å; E152-Y156 PolarHBondContact O-N 3.29Å; G153-Y156 PolarHBondContact O-N 3.1Å; L154-Y156 VanDerWaalsContact C-N 3.34Å; Y156-F158 PolarHBondContact O-N 3.34Å; Y156-N159 PolarHBondContact O-N 2.87Å; Y156-S160 VanDerWaalsContact O-CB 3.3Å; Y156-S160 WeakPolarHBondContact O-CB 3.5Å; Y156-S160 PolarHBondContact O-N 3.24Å |
| 157 | E | 98.1 | Very high | 98 | Very high | 115 Ų | 115 | 99.4 Ų | 99.4 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.7 | -50.9 | 176.9 | -73.1 | 174.4 | -179.4 | 0 | 0 | 111.1 | G153 N159 S160 E161 | G153-E157 WeakPolarHBondContact O-CG 3.43Å; G153-E157 PolarHBondContact O-N 2.85Å; E157-N159 PolarHBondContact O-N 3.37Å; E157-S160 PolarHBondContact O-N 2.92Å; E157-E161 WeakPolarHBondContact O-CB 3.5Å; E157-E161 WeakPolarHBondContact O-CG 3.47Å; E157-E161 PolarHBondContact O-N 3.44Å |
| 158 | F | 97.9 | Very high | 98 | Very high | 129 Ų | 129 | 95.3 Ų | 95.3 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.8 | -44.2 | 179.4 | -178.6 | -95.4 | 0 | 0 | 0 | 112.6 | L154 Y156 R162 | L154-F158 VanDerWaalsContact O-CB 3.27Å; L154-F158 WeakPolarHBondContact O-CB 3.36Å; L154-F158 PolarHBondContact O-N 3.22Å; Y156-F158 PolarHBondContact O-N 3.34Å; F158-R162 WeakPolarHBondContact O-CB 3.46Å; F158-R162 PolarHBondContact O-N 2.94Å |
| 159 | N | 98 | Very high | 97.9 | Very high | 61 Ų | 61 | 96.8 Ų | 96.8 | 33% | 0.326 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 179.3 | -73.6 | -36.6 | 0 | 0 | 0 | 111.7 | S155 Y156 E157 R162 E163 | S155-N159 VanDerWaalsContact O-CB 3.31Å; S155-N159 WeakPolarHBondContact O-CB 3.46Å; S155-N159 VanDerWaalsContact O-CG 3.22Å; S155-N159 PolarHBondContact O-N 3.47Å; S155-N159 PolarHBondContact O-ND2 3Å; S155-N159 PolarHBondContact OG-ND2 2.9Å; Y156-N159 PolarHBondContact O-N 2.87Å; E157-N159 PolarHBondContact O-N 3.37Å; N159-R162 PolarHBondContact O-N 2.7Å; N159-E163 WeakPolarHBondContact O-CB 3.47Å; N159-E163 WeakPolarHBondContact O-CG 3.3Å; N159-E163 PolarHBondContact O-N 2.9Å |
| 160 | S | 97.9 | Very high | 97.9 | Very high | 33 Ų | 33 | 100 Ų | 100 | 23% | 0.231 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | Y156 E157 R162 E163 Q164 | Y156-S160 VanDerWaalsContact O-CB 3.3Å; Y156-S160 WeakPolarHBondContact O-CB 3.5Å; Y156-S160 PolarHBondContact O-N 3.24Å; E157-S160 PolarHBondContact O-N 2.92Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 2.94Å; S160-E163 PolarHBondContact O-N 3.11Å; S160-Q164 VanDerWaalsContact O-CG 3.29Å; S160-Q164 WeakPolarHBondContact O-CG 3.48Å; S160-Q164 PolarHBondContact O-N 2.92Å; S160-Q164 PolarHBondContact OG-NE2 3.28Å |
| 161 | E | 97.8 | Very high | 97.9 | Very high | 114 Ų | 114 | 104 Ų | 104 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 176.2 | -74.2 | -179.2 | 176.8 | 0 | 0 | 111.2 | E157 E163 Q164 I165 | E157-E161 WeakPolarHBondContact O-CB 3.5Å; E157-E161 WeakPolarHBondContact O-CG 3.47Å; E157-E161 PolarHBondContact O-N 3.44Å; E161-E163 PolarHBondContact O-N 3.2Å; E161-Q164 PolarHBondContact O-N 3.42Å; E161-I165 WeakPolarHBondContact O-CB 3.33Å; E161-I165 VanDerWaalsContact O-CG1 3.26Å; E161-I165 WeakPolarHBondContact O-CG1 3.37Å; E161-I165 PolarHBondContact O-N 3.41Å |
| 162 | R | 98 | Very high | 97.8 | Very high | 140 Ų | 140 | 104 Ų | 104 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 175.9 | 175.3 | -179.2 | 155.2 | -145.5 | -6.4 | 111.9 | F158 N159 S160 I165 L166 | F158-R162 WeakPolarHBondContact O-CB 3.46Å; F158-R162 PolarHBondContact O-N 2.94Å; N159-R162 PolarHBondContact O-N 2.7Å; S160-R162 VanDerWaalsContact C-N 3.33Å; S160-R162 PolarHBondContact O-N 2.94Å; R162-I165 PolarHBondContact O-N 2.97Å; R162-L166 HydrophobicContact CG-CD1 4.03Å; R162-L166 WeakPolarHBondContact O-CB 3.25Å; R162-L166 VanDerWaalsContact O-CG 3.27Å; R162-L166 WeakPolarHBondContact O-CG 3.43Å; R162-L166 PolarHBondContact O-N 3.32Å |
| 163 | E | 98.2 | Very high | 97.8 | Very high | 139 Ų | 139 | 99.7 Ų | 99.7 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.3 | -42.8 | 176.9 | -78.9 | 177.3 | -172.1 | 0 | 0 | 111.8 | N159 S160 E161 L166 S167 | N159-E163 WeakPolarHBondContact O-CB 3.47Å; N159-E163 WeakPolarHBondContact O-CG 3.3Å; N159-E163 PolarHBondContact O-N 2.9Å; S160-E163 PolarHBondContact O-N 3.11Å; E161-E163 PolarHBondContact O-N 3.2Å; E163-L166 PolarHBondContact O-N 3.48Å; E163-S167 VanDerWaalsContact O-CB 3.31Å; E163-S167 WeakPolarHBondContact O-CB 3.5Å; E163-S167 PolarHBondContact O-N 2.88Å |
| 164 | Q | 97.8 | Very high | 97.7 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.4 | -72 | 173.6 | 17.3 | 0 | 0 | 111.9 | S160 E161 L166 S167 Q168 | S160-Q164 VanDerWaalsContact O-CG 3.29Å; S160-Q164 WeakPolarHBondContact O-CG 3.48Å; S160-Q164 PolarHBondContact O-N 2.92Å; S160-Q164 PolarHBondContact OG-NE2 3.28Å; E161-Q164 PolarHBondContact O-N 3.42Å; Q164-L166 PolarHBondContact O-N 2.99Å; Q164-S167 PolarHBondContact O-N 3.28Å; Q164-Q168 WeakPolarHBondContact O-CB 3.4Å; Q164-Q168 VanDerWaalsContact O-CG 3.31Å; Q164-Q168 WeakPolarHBondContact O-CG 3.5Å; Q164-Q168 PolarHBondContact O-N 2.95Å |
| 165 | I | 97.5 | Very high | 97.7 | Very high | 109 Ų | 109 | 102.4 Ų | 102.4 | 56% | 0.559 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 178.4 | -68.8 | 165.8 | 0 | 0 | 0 | 110.5 | E161 R162 S167 Q168 H169 | E161-I165 WeakPolarHBondContact O-CB 3.33Å; E161-I165 VanDerWaalsContact O-CG1 3.26Å; E161-I165 WeakPolarHBondContact O-CG1 3.37Å; E161-I165 PolarHBondContact O-N 3.41Å; R162-I165 PolarHBondContact O-N 2.97Å; I165-S167 VanDerWaalsContact C-N 3.34Å; I165-S167 PolarHBondContact O-N 3.22Å; I165-Q168 PolarHBondContact O-N 2.98Å; I165-H169 VanDerWaalsContact O-CB 3.28Å; I165-H169 WeakPolarHBondContact O-CB 3.44Å; I165-H169 PolarHBondContact O-N 2.89Å |
| 166 | L | 98.1 | Very high | 97.7 | Very high | 82 Ų | 82 | 104.5 Ų | 104.5 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 178.3 | -72.9 | 174.3 | 0 | 0 | 0 | 111.8 | R162 E163 Q164 H169 Q170 | R162-L166 HydrophobicContact CG-CD1 4.03Å; R162-L166 WeakPolarHBondContact O-CB 3.25Å; R162-L166 VanDerWaalsContact O-CG 3.27Å; R162-L166 WeakPolarHBondContact O-CG 3.43Å; R162-L166 PolarHBondContact O-N 3.32Å; E163-L166 PolarHBondContact O-N 3.48Å; Q164-L166 PolarHBondContact O-N 2.99Å; L166-H169 PolarHBondContact O-N 3.43Å; L166-Q170 WeakPolarHBondContact O-CB 3.41Å; L166-Q170 VanDerWaalsContact O-CG 3.26Å; L166-Q170 WeakPolarHBondContact O-CG 3.41Å; L166-Q170 PolarHBondContact O-N 2.94Å |
| 167 | S | 98.1 | Very high | 97.6 | Very high | 51 Ų | 51 | 102.5 Ų | 102.5 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | E163 Q164 I165 Q170 Q171 | E163-S167 VanDerWaalsContact O-CB 3.31Å; E163-S167 WeakPolarHBondContact O-CB 3.5Å; E163-S167 PolarHBondContact O-N 2.88Å; Q164-S167 PolarHBondContact O-N 3.28Å; I165-S167 VanDerWaalsContact C-N 3.34Å; I165-S167 PolarHBondContact O-N 3.22Å; S167-Q170 PolarHBondContact O-N 3.36Å; S167-Q171 VanDerWaalsContact O-CG 3.32Å; S167-Q171 WeakPolarHBondContact O-CG 3.24Å; S167-Q171 PolarHBondContact O-N 2.88Å |
| 168 | Q | 97.8 | Very high | 97.6 | Very high | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 175.2 | -74 | 173.8 | 7 | 0 | 0 | 111.1 | Q164 I165 Q170 Q171 E172 | Q164-Q168 WeakPolarHBondContact O-CB 3.4Å; Q164-Q168 VanDerWaalsContact O-CG 3.31Å; Q164-Q168 WeakPolarHBondContact O-CG 3.5Å; Q164-Q168 PolarHBondContact O-N 2.95Å; I165-Q168 PolarHBondContact O-N 2.98Å; Q168-Q170 VanDerWaalsContact C-N 3.32Å; Q168-Q170 PolarHBondContact O-N 2.85Å; Q168-Q171 WeakPolarHBondContact O-CB 3.42Å; Q168-Q171 PolarHBondContact O-N 3.25Å; Q168-Q171 VanDerWaalsContact O-N 3.14Å; Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.41Å |
| 169 | H | 96.9 | Very high | 97.5 | Very high | 108 Ų | 108 | 99.1 Ų | 99.1 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 177.4 | -177.9 | 55.3 | 0 | 0 | 0 | 112 | I165 L166 Q171 E172 C173 | I165-H169 VanDerWaalsContact O-CB 3.28Å; I165-H169 WeakPolarHBondContact O-CB 3.44Å; I165-H169 PolarHBondContact O-N 2.89Å; L166-H169 PolarHBondContact O-N 3.43Å; H169-Q171 PolarHBondContact O-N 3.41Å; H169-E172 PolarHBondContact O-N 3.15Å; H169-C173 VanDerWaalsContact CE1-SG 3.5Å; H169-C173 WeakPolarHBondContact O-CB 3.38Å; H169-C173 PolarHBondContact O-N 3.26Å; H169-C173 PolarHBondContact O-SG 2.91Å; H169-C173 VanDerWaalsContact O-SG 3.34Å |
| 170 | Q | 97.9 | Very high | 97.4 | Very high | 134 Ų | 134 | 99.9 Ų | 99.9 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.2 | -41.6 | 175.3 | -75.9 | 171.8 | 5.3 | 0 | 0 | 112.3 | L166 S167 Q168 C173 A174 | L166-Q170 WeakPolarHBondContact O-CB 3.41Å; L166-Q170 VanDerWaalsContact O-CG 3.26Å; L166-Q170 WeakPolarHBondContact O-CG 3.41Å; L166-Q170 PolarHBondContact O-N 2.94Å; S167-Q170 PolarHBondContact O-N 3.36Å; Q168-Q170 VanDerWaalsContact C-N 3.32Å; Q168-Q170 PolarHBondContact O-N 2.85Å; Q170-C173 PolarHBondContact O-N 2.89Å; Q170-A174 WeakPolarHBondContact O-CB 3.39Å; Q170-A174 PolarHBondContact O-N 3.45Å |
| 171 | Q | 97.5 | Very high | 97.4 | Very high | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 176.6 | -71.3 | 171.9 | 15.2 | 0 | 0 | 111.8 | S167 Q168 H169 A174 Y175 | S167-Q171 VanDerWaalsContact O-CG 3.32Å; S167-Q171 WeakPolarHBondContact O-CG 3.24Å; S167-Q171 PolarHBondContact O-N 2.88Å; Q168-Q171 WeakPolarHBondContact O-CB 3.42Å; Q168-Q171 PolarHBondContact O-N 3.25Å; Q168-Q171 VanDerWaalsContact O-N 3.14Å; H169-Q171 PolarHBondContact O-N 3.41Å; Q171-A174 PolarHBondContact O-N 3.43Å; Q171-Y175 WeakPolarHBondContact O-CB 3.35Å; Q171-Y175 PolarHBondContact O-N 3.34Å |
| 172 | E | 96.3 | Very high | 97.4 | Very high | 116 Ų | 116 | 101.3 Ų | 101.3 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 176.4 | -71.9 | 176 | 175.5 | 0 | 0 | 111.8 | Q168 H169 Y175 L176 | Q168-E172 WeakPolarHBondContact O-CG 3.48Å; Q168-E172 PolarHBondContact O-N 3.41Å; H169-E172 PolarHBondContact O-N 3.15Å; E172-Y175 PolarHBondContact O-N 2.94Å; E172-L176 WeakPolarHBondContact O-CB 3.32Å; E172-L176 VanDerWaalsContact O-CG 3.31Å; E172-L176 WeakPolarHBondContact O-CG 3.31Å; E172-L176 PolarHBondContact O-N 3.49Å |
| 173 | C | 97.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 99.9 Ų | 99.9 | 32% | 0.318 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 174.3 | -75.3 | 0 | 0 | 0 | 0 | 111.7 | H169 Q170 Y175 L176 E177 | H169-C173 VanDerWaalsContact CE1-SG 3.5Å; H169-C173 WeakPolarHBondContact O-CB 3.38Å; H169-C173 PolarHBondContact O-N 3.26Å; H169-C173 PolarHBondContact O-SG 2.91Å; H169-C173 VanDerWaalsContact O-SG 3.34Å; Q170-C173 PolarHBondContact O-N 2.89Å; C173-Y175 VanDerWaalsContact C-N 3.33Å; C173-Y175 PolarHBondContact O-N 3.33Å; C173-L176 PolarHBondContact O-N 3.02Å; C173-E177 WeakPolarHBondContact O-CG 3.42Å; C173-E177 PolarHBondContact O-N 3.41Å |
| 174 | A | 97.3 | Very high | 97.1 | Very high | 43 Ų | 43 | 99.1 Ų | 99.1 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q170 Q171 L176 E177 D178 | Q170-A174 WeakPolarHBondContact O-CB 3.39Å; Q170-A174 PolarHBondContact O-N 3.45Å; Q171-A174 PolarHBondContact O-N 3.43Å; A174-L176 PolarHBondContact O-N 3.31Å; A174-E177 PolarHBondContact O-N 3.33Å; A174-D178 PolarHBondContact O-N 2.9Å |
| 175 | Y | 97.6 | Very high | 97 | Very high | 156 Ų | 156 | 97.9 Ų | 97.9 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -43.3 | 175.3 | 173 | -99.3 | 0 | 0 | 0 | 112.4 | Q171 E172 C173 D178 V179 | Q171-Y175 WeakPolarHBondContact O-CB 3.35Å; Q171-Y175 PolarHBondContact O-N 3.34Å; E172-Y175 PolarHBondContact O-N 2.94Å; C173-Y175 VanDerWaalsContact C-N 3.33Å; C173-Y175 PolarHBondContact O-N 3.33Å; Y175-D178 PolarHBondContact O-N 3.41Å; Y175-V179 HydrophobicContact CD1-CG2 4.27Å; Y175-V179 HydrophobicContact CD2-CG2 4.31Å; Y175-V179 HydrophobicContact CE1-CG2 3.78Å; Y175-V179 HydrophobicContact CE2-CG2 3.84Å; Y175-V179 VanDerWaalsContact O-CG2 3.31Å; Y175-V179 WeakPolarHBondContact O-CG2 3.4Å; Y175-V179 PolarHBondContact O-N 3.36Å |
| 176 | L | 96.9 | Very high | 97 | Very high | 105 Ų | 105 | 98.4 Ų | 98.4 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 176.8 | -72.2 | 174.7 | 0 | 0 | 0 | 111.3 | E172 C173 A174 V179 T180 | E172-L176 WeakPolarHBondContact O-CB 3.32Å; E172-L176 VanDerWaalsContact O-CG 3.31Å; E172-L176 WeakPolarHBondContact O-CG 3.31Å; E172-L176 PolarHBondContact O-N 3.49Å; C173-L176 PolarHBondContact O-N 3.02Å; A174-L176 PolarHBondContact O-N 3.31Å; L176-V179 PolarHBondContact O-N 2.88Å; L176-T180 WeakPolarHBondContact O-CB 3.48Å; L176-T180 VanDerWaalsContact O-CG2 3.27Å; L176-T180 WeakPolarHBondContact O-CG2 3.44Å; L176-T180 PolarHBondContact O-N 2.71Å; L176-T180 PolarHBondContact O-OG1 3.48Å; L176-T180 VanDerWaalsContact O-OG1 3.09Å |
| 177 | E | 97.1 | Very high | 96.8 | Very high | 130 Ų | 130 | 101.1 Ų | 101.1 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58 | -48.7 | 173.6 | -73.6 | 172.9 | -173.8 | 0 | 0 | 110.9 | C173 A174 V179 T180 F181 | C173-E177 WeakPolarHBondContact O-CG 3.42Å; C173-E177 PolarHBondContact O-N 3.41Å; A174-E177 PolarHBondContact O-N 3.33Å; E177-V179 PolarHBondContact O-N 2.88Å; E177-T180 WeakPolarHBondContact CA-OG1 3.29Å; E177-T180 PolarHBondContact O-N 2.96Å; E177-T180 PolarHBondContact O-OG1 2.86Å; E177-F181 WeakPolarHBondContact O-CB 3.23Å; E177-F181 PolarHBondContact O-N 2.91Å |
| 178 | D | 96.9 | Very high | 96.8 | Very high | 112 Ų | 112 | 105 Ų | 105 | 60% | 0.599 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -44 | 177.3 | -73.3 | -19.7 | 0 | 0 | 0 | 112.4 | A174 Y175 F181 A182 | A174-D178 PolarHBondContact O-N 2.9Å; Y175-D178 PolarHBondContact O-N 3.41Å; D178-F181 PolarHBondContact O-N 3.36Å; D178-A182 WeakPolarHBondContact O-CB 3.35Å; D178-A182 PolarHBondContact O-N 2.89Å |
| 179 | V | 97.3 | Very high | 96.7 | Very high | 61 Ų | 61 | 105.6 Ų | 105.6 | 37% | 0.37 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 177 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | Y175 L176 E177 F181 A182 M183 | Y175-V179 HydrophobicContact CD1-CG2 4.27Å; Y175-V179 HydrophobicContact CD2-CG2 4.31Å; Y175-V179 HydrophobicContact CE1-CG2 3.78Å; Y175-V179 HydrophobicContact CE2-CG2 3.84Å; Y175-V179 VanDerWaalsContact O-CG2 3.31Å; Y175-V179 WeakPolarHBondContact O-CG2 3.4Å; Y175-V179 PolarHBondContact O-N 3.36Å; L176-V179 PolarHBondContact O-N 2.88Å; E177-V179 PolarHBondContact O-N 2.88Å; V179-F181 VanDerWaalsContact C-N 3.34Å; V179-A182 PolarHBondContact O-N 3.28Å; V179-M183 VanDerWaalsContact O-CB 3.23Å; V179-M183 WeakPolarHBondContact O-CB 3.38Å; V179-M183 PolarHBondContact O-N 3.07Å |
| 180 | T | 96.3 | Very high | 96.6 | Very high | 76 Ų | 76 | 103.4 Ų | 103.4 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 177 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | L176 E177 M183 E184 | L176-T180 WeakPolarHBondContact O-CB 3.48Å; L176-T180 VanDerWaalsContact O-CG2 3.27Å; L176-T180 WeakPolarHBondContact O-CG2 3.44Å; L176-T180 PolarHBondContact O-N 2.71Å; L176-T180 PolarHBondContact O-OG1 3.48Å; L176-T180 VanDerWaalsContact O-OG1 3.09Å; E177-T180 WeakPolarHBondContact CA-OG1 3.29Å; E177-T180 PolarHBondContact O-N 2.96Å; E177-T180 PolarHBondContact O-OG1 2.86Å; T180-M183 PolarHBondContact O-N 2.93Å; T180-E184 WeakPolarHBondContact O-CB 3.42Å; T180-E184 WeakPolarHBondContact O-CG 3.29Å; T180-E184 PolarHBondContact O-N 2.96Å |
| 181 | F | 97.4 | Very high | 96.4 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 53% | 0.526 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 176.8 | -179.3 | -98.6 | 0 | 0 | 0 | 111.9 | E177 D178 V179 M183 E184 Q185 | E177-F181 WeakPolarHBondContact O-CB 3.23Å; E177-F181 PolarHBondContact O-N 2.91Å; D178-F181 PolarHBondContact O-N 3.36Å; V179-F181 VanDerWaalsContact C-N 3.34Å; F181-M183 VanDerWaalsContact C-N 3.29Å; F181-M183 PolarHBondContact O-N 3.15Å; F181-E184 PolarHBondContact O-N 3.42Å; F181-Q185 HydrophobicContact CD1-CG 4.29Å; F181-Q185 HydrophobicContact CE1-CG 3.89Å; F181-Q185 HydrophobicContact CE2-CG 4.44Å; F181-Q185 HydrophobicContact CZ-CG 3.98Å; F181-Q185 VanDerWaalsContact CZ-NE2 3.31Å; F181-Q185 WeakPolarHBondContact O-CG 3.39Å; F181-Q185 PolarHBondContact O-N 3.15Å |
| 182 | A | 97.1 | Very high | 96.3 | Very high | 58 Ų | 58 | 96 Ų | 96 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D178 V179 Q185 F186 | D178-A182 WeakPolarHBondContact O-CB 3.35Å; D178-A182 PolarHBondContact O-N 2.89Å; V179-A182 PolarHBondContact O-N 3.28Å; A182-Q185 PolarHBondContact O-N 3.45Å; A182-F186 WeakPolarHBondContact O-CB 3.41Å; A182-F186 PolarHBondContact O-N 2.87Å |
| 183 | M | 95.1 | Very high | 96.3 | Very high | 109 Ų | 109 | 96.3 Ų | 96.3 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -41.3 | 177.6 | -169 | 158.7 | 97.7 | 0 | 0 | 111.8 | V179 T180 F181 F186 Y187 | V179-M183 VanDerWaalsContact O-CB 3.23Å; V179-M183 WeakPolarHBondContact O-CB 3.38Å; V179-M183 PolarHBondContact O-N 3.07Å; T180-M183 PolarHBondContact O-N 2.93Å; F181-M183 VanDerWaalsContact C-N 3.29Å; F181-M183 PolarHBondContact O-N 3.15Å; M183-F186 PolarHBondContact O-N 2.93Å; M183-Y187 HydrophobicContact CE-CE2 4.15Å; M183-Y187 HydrophobicContact CG-CD2 3.67Å; M183-Y187 HydrophobicContact CG-CE2 3.4Å; M183-Y187 VanDerWaalsContact CG-CE2 3.4Å; M183-Y187 WeakPolarHBondContact O-CD2 3.47Å; M183-Y187 PolarHBondContact O-N 3.29Å; M183-Y187 HydrophobicContact SD-CE2 3.99Å |
| 184 | E | 95.9 | Very high | 96.1 | Very high | 124 Ų | 124 | 96.7 Ų | 96.7 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.1 | -45.2 | 173.2 | -76.7 | 177.1 | 178.7 | 0 | 0 | 111.7 | T180 F181 Y187 M188 | T180-E184 WeakPolarHBondContact O-CB 3.42Å; T180-E184 WeakPolarHBondContact O-CG 3.29Å; T180-E184 PolarHBondContact O-N 2.96Å; F181-E184 PolarHBondContact O-N 3.42Å; E184-Y187 PolarHBondContact O-N 3.38Å; E184-M188 WeakPolarHBondContact O-CB 3.44Å; E184-M188 WeakPolarHBondContact O-CG 3.41Å; E184-M188 PolarHBondContact O-N 2.83Å |
| 185 | Q | 95.9 | Very high | 96 | Very high | 81 Ų | 81 | 101.9 Ų | 101.9 | 38% | 0.379 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.8 | -70.2 | -65 | -14.4 | 0 | 0 | 111.8 | F181 A182 Y187 M188 E189 | F181-Q185 HydrophobicContact CD1-CG 4.29Å; F181-Q185 HydrophobicContact CE1-CG 3.89Å; F181-Q185 HydrophobicContact CE2-CG 4.44Å; F181-Q185 HydrophobicContact CZ-CG 3.98Å; F181-Q185 VanDerWaalsContact CZ-NE2 3.31Å; F181-Q185 WeakPolarHBondContact O-CG 3.39Å; F181-Q185 PolarHBondContact O-N 3.15Å; A182-Q185 PolarHBondContact O-N 3.45Å; Q185-Y187 VanDerWaalsContact C-N 3.33Å; Q185-Y187 PolarHBondContact O-N 3.37Å; Q185-M188 WeakPolarHBondContact O-CB 3.41Å; Q185-M188 PolarHBondContact O-N 3.48Å; Q185-M188 VanDerWaalsContact O-N 3.15Å; Q185-E189 WeakPolarHBondContact O-CG 3.44Å; Q185-E189 PolarHBondContact O-N 2.91Å |
| 186 | F | 96.8 | Very high | 95.8 | Very high | 119 Ų | 119 | 100.9 Ų | 100.9 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 177.3 | 178.2 | -97.8 | 0 | 0 | 0 | 112 | A182 M183 E189 V190 | A182-F186 WeakPolarHBondContact O-CB 3.41Å; A182-F186 PolarHBondContact O-N 2.87Å; M183-F186 PolarHBondContact O-N 2.93Å; F186-E189 PolarHBondContact O-N 3.15Å; F186-V190 HydrophobicContact CD1-CG2 4.23Å; F186-V190 HydrophobicContact CE1-CG2 3.78Å; F186-V190 HydrophobicContact CE2-CG2 4.19Å; F186-V190 HydrophobicContact CZ-CG2 3.76Å; F186-V190 VanDerWaalsContact O-CG2 3.32Å; F186-V190 WeakPolarHBondContact O-CG2 3.33Å; F186-V190 PolarHBondContact O-N 3Å |
| 187 | Y | 94.3 | Very high | 95.7 | Very high | 140 Ų | 140 | 101 Ų | 101 | 55% | 0.549 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -33.7 | 177.2 | -79 | -60.3 | 0 | 0 | 0 | 112.9 | M183 E184 Q185 D191 | M183-Y187 HydrophobicContact CE-CE2 4.15Å; M183-Y187 HydrophobicContact CG-CD2 3.67Å; M183-Y187 HydrophobicContact CG-CE2 3.4Å; M183-Y187 VanDerWaalsContact CG-CE2 3.4Å; M183-Y187 WeakPolarHBondContact O-CD2 3.47Å; M183-Y187 PolarHBondContact O-N 3.29Å; M183-Y187 HydrophobicContact SD-CE2 3.99Å; E184-Y187 PolarHBondContact O-N 3.38Å; Q185-Y187 VanDerWaalsContact C-N 3.33Å; Q185-Y187 PolarHBondContact O-N 3.37Å; Y187-D191 VanDerWaalsContact O-CB 3.32Å; Y187-D191 WeakPolarHBondContact O-CB 3.44Å; Y187-D191 PolarHBondContact O-N 3.43Å |
| 188 | M | 96.5 | Very high | 95.5 | Very high | 132 Ų | 132 | 102.4 Ų | 102.4 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 172.3 | -78.2 | -164.2 | 66.1 | 0 | 0 | 112 | E184 Q185 G192 | E184-M188 WeakPolarHBondContact O-CB 3.44Å; E184-M188 WeakPolarHBondContact O-CG 3.41Å; E184-M188 PolarHBondContact O-N 2.83Å; Q185-M188 WeakPolarHBondContact O-CB 3.41Å; Q185-M188 PolarHBondContact O-N 3.48Å; Q185-M188 VanDerWaalsContact O-N 3.15Å; M188-G192 PolarHBondContact O-N 3.2Å |
| 189 | E | 95.9 | Very high | 95.4 | Very high | 119 Ų | 119 | 102.4 Ų | 102.4 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -49.5 | 175 | -72.3 | 176 | 176.7 | 0 | 0 | 111.1 | Q185 F186 D191 G192 E193 | Q185-E189 WeakPolarHBondContact O-CG 3.44Å; Q185-E189 PolarHBondContact O-N 2.91Å; F186-E189 PolarHBondContact O-N 3.15Å; E189-D191 PolarHBondContact O-N 3.31Å; E189-G192 CarbonylContact O-C 3.53Å; E189-G192 WeakPolarHBondContact O-CA 3.29Å; E189-G192 PolarHBondContact O-N 2.96Å; E189-E193 WeakPolarHBondContact O-CG 3.23Å; E189-E193 PolarHBondContact O-N 3.47Å |
| 190 | V | 95.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 102.4 Ų | 102.4 | 38% | 0.376 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 178.2 | 172 | 0 | 0 | 0 | 0 | 112 | F186 G192 E193 A194 | F186-V190 HydrophobicContact CD1-CG2 4.23Å; F186-V190 HydrophobicContact CE1-CG2 3.78Å; F186-V190 HydrophobicContact CE2-CG2 4.19Å; F186-V190 HydrophobicContact CZ-CG2 3.76Å; F186-V190 VanDerWaalsContact O-CG2 3.32Å; F186-V190 WeakPolarHBondContact O-CG2 3.33Å; F186-V190 PolarHBondContact O-N 3Å; V190-G192 VanDerWaalsContact C-N 3.32Å; V190-E193 PolarHBondContact O-N 3.37Å; V190-A194 VanDerWaalsContact O-CB 3.29Å; V190-A194 WeakPolarHBondContact O-CB 3.36Å; V190-A194 PolarHBondContact O-N 2.92Å |
| 191 | D | 94.4 | Very high | 95.2 | Very high | 74 Ų | 74 | 102.3 Ų | 102.3 | 40% | 0.396 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 174.2 | -173.8 | 48.3 | 0 | 0 | 0 | 111.1 | Y187 E189 R195 | Y187-D191 VanDerWaalsContact O-CB 3.32Å; Y187-D191 WeakPolarHBondContact O-CB 3.44Å; Y187-D191 PolarHBondContact O-N 3.43Å; E189-D191 PolarHBondContact O-N 3.31Å; D191-R195 WeakPolarHBondContact O-CB 3.44Å; D191-R195 WeakPolarHBondContact O-CG 3.35Å; D191-R195 PolarHBondContact O-N 3.16Å; D191-R195 IonicContact OD1-NE 2.85Å; D191-R195 PolarHBondContact OD1-NE 3.13Å; D191-R195 IonicContact OD2-CZ 3.53Å; D191-R195 IonicContact OD2-NE 3.66Å; D191-R195 PolarHBondContact OD2-NE 3.33Å; D191-R195 IonicContact OD2-NH2 3.92Å; D191-R195 PolarHBondContact OD2-NH2 2.83Å |
| 192 | G | 94.8 | Very high | 95 | Very high | 33 Ų | 33 | 103.3 Ų | 103.3 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M188 E189 V190 R195 Q196 | M188-G192 PolarHBondContact O-N 3.2Å; E189-G192 CarbonylContact O-C 3.53Å; E189-G192 WeakPolarHBondContact O-CA 3.29Å; E189-G192 PolarHBondContact O-N 2.96Å; V190-G192 VanDerWaalsContact C-N 3.32Å; G192-R195 PolarHBondContact O-N 3.43Å; G192-Q196 WeakPolarHBondContact O-CB 3.43Å; G192-Q196 PolarHBondContact O-N 2.91Å |
| 193 | E | 95.7 | Very high | 94.9 | Very high | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.3 | -48.9 | 176.2 | -72.4 | -177.4 | 171.3 | 0 | 0 | 111.1 | E189 V190 R195 Q196 D197 | E189-E193 WeakPolarHBondContact O-CG 3.23Å; E189-E193 PolarHBondContact O-N 3.47Å; V190-E193 PolarHBondContact O-N 3.37Å; E193-R195 VanDerWaalsContact C-N 3.3Å; E193-R195 PolarHBondContact O-N 2.87Å; E193-Q196 CarbonylContact O-C 3.6Å; E193-Q196 WeakPolarHBondContact O-CB 3.39Å; E193-Q196 PolarHBondContact O-N 2.73Å; E193-D197 WeakPolarHBondContact O-CB 3.21Å; E193-D197 PolarHBondContact O-N 2.94Å |
| 194 | A | 93.4 | Very high | 94.8 | Very high | 54 Ų | 54 | 101.7 Ų | 101.7 | 45% | 0.446 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V190 Y198 | V190-A194 VanDerWaalsContact O-CB 3.29Å; V190-A194 WeakPolarHBondContact O-CB 3.36Å; V190-A194 PolarHBondContact O-N 2.92Å; A194-Y198 VanDerWaalsContact O-CB 3.28Å; A194-Y198 WeakPolarHBondContact O-CB 3.45Å; A194-Y198 PolarHBondContact O-N 2.93Å |
| 195 | R | 94.8 | Very high | 94.6 | Very high | 153 Ų | 153 | 100.2 Ų | 100.2 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.9 | -39.6 | 173.8 | -74.8 | 172.9 | -170.8 | -157 | 8.4 | 111.9 | D191 G192 E193 Q199 | D191-R195 WeakPolarHBondContact O-CB 3.44Å; D191-R195 WeakPolarHBondContact O-CG 3.35Å; D191-R195 PolarHBondContact O-N 3.16Å; D191-R195 IonicContact OD1-NE 2.85Å; D191-R195 PolarHBondContact OD1-NE 3.13Å; D191-R195 IonicContact OD2-CZ 3.53Å; D191-R195 IonicContact OD2-NE 3.66Å; D191-R195 PolarHBondContact OD2-NE 3.33Å; D191-R195 IonicContact OD2-NH2 3.92Å; D191-R195 PolarHBondContact OD2-NH2 2.83Å; G192-R195 PolarHBondContact O-N 3.43Å; E193-R195 VanDerWaalsContact C-N 3.3Å; E193-R195 PolarHBondContact O-N 2.87Å; R195-Q199 VanDerWaalsContact O-CG 3.27Å; R195-Q199 WeakPolarHBondContact O-CG 3.24Å; R195-Q199 PolarHBondContact O-N 3.43Å |
| 196 | Q | 94.5 | Very high | 94.6 | Very high | 135 Ų | 135 | 102.5 Ų | 102.5 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.6 | -45.9 | 177.7 | -176.9 | 174.5 | -13.6 | 0 | 0 | 111.4 | G192 E193 Y198 Q199 S200 | G192-Q196 WeakPolarHBondContact O-CB 3.43Å; G192-Q196 PolarHBondContact O-N 2.91Å; E193-Q196 CarbonylContact O-C 3.6Å; E193-Q196 WeakPolarHBondContact O-CB 3.39Å; E193-Q196 PolarHBondContact O-N 2.73Å; Q196-Y198 VanDerWaalsContact C-N 3.32Å; Q196-Y198 PolarHBondContact O-N 3.17Å; Q196-Q199 PolarHBondContact O-N 3.34Å; Q196-Q199 VanDerWaalsContact O-N 3.14Å; Q196-S200 PolarHBondContact O-N 3.29Å |
| 197 | D | 94.7 | Very high | 94.4 | Very high | 107 Ų | 107 | 100.7 Ų | 100.7 | 57% | 0.572 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.8 | -42 | 175.3 | -77.3 | -10 | 0 | 0 | 0 | 111.5 | E193 Q199 S200 T201 | E193-D197 WeakPolarHBondContact O-CB 3.21Å; E193-D197 PolarHBondContact O-N 2.94Å; D197-Q199 VanDerWaalsContact C-N 3.35Å; D197-Q199 PolarHBondContact O-N 3Å; D197-S200 PolarHBondContact O-N 2.93Å; D197-T201 WeakPolarHBondContact O-CB 3.48Å; D197-T201 WeakPolarHBondContact O-CG2 3.39Å; D197-T201 PolarHBondContact O-N 3.5Å; D197-T201 PolarHBondContact O-OG1 3.24Å |
| 198 | Y | 92.8 | Very high | 94.4 | Very high | 159 Ų | 159 | 100.9 Ų | 100.9 | 62% | 0.624 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 173.6 | 177.8 | -95.9 | 0 | 0 | 0 | 111.8 | A194 Q196 T201 R202 | A194-Y198 VanDerWaalsContact O-CB 3.28Å; A194-Y198 WeakPolarHBondContact O-CB 3.45Å; A194-Y198 PolarHBondContact O-N 2.93Å; Q196-Y198 VanDerWaalsContact C-N 3.32Å; Q196-Y198 PolarHBondContact O-N 3.17Å; Y198-T201 WeakPolarHBondContact CA-OG1 3.25Å; Y198-T201 PolarHBondContact O-OG1 3.37Å; Y198-R202 VanDerWaalsContact O-CB 3.24Å; Y198-R202 WeakPolarHBondContact O-CB 3.36Å; Y198-R202 PolarHBondContact O-N 2.95Å |
| 199 | Q | 94.3 | Very high | 94.1 | Very high | 113 Ų | 113 | 98.9 Ų | 98.9 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.4 | -73.4 | 172.1 | 32.4 | 0 | 0 | 111.6 | R195 Q196 D197 R202 D203 | R195-Q199 VanDerWaalsContact O-CG 3.27Å; R195-Q199 WeakPolarHBondContact O-CG 3.24Å; R195-Q199 PolarHBondContact O-N 3.43Å; Q196-Q199 PolarHBondContact O-N 3.34Å; Q196-Q199 VanDerWaalsContact O-N 3.14Å; D197-Q199 VanDerWaalsContact C-N 3.35Å; D197-Q199 PolarHBondContact O-N 3Å; Q199-R202 WeakPolarHBondContact O-CB 3.44Å; Q199-R202 PolarHBondContact O-N 2.89Å; Q199-D203 WeakPolarHBondContact O-CB 3.47Å; Q199-D203 PolarHBondContact O-N 3.36Å |
| 200 | S | 94.9 | Very high | 94 | Very high | 61 Ų | 61 | 96.8 Ų | 96.8 | 43% | 0.427 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 177.8 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | Q196 D197 R202 D203 D204 | Q196-S200 PolarHBondContact O-N 3.29Å; D197-S200 PolarHBondContact O-N 2.93Å; S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 2.93Å; S200-D203 PolarHBondContact O-N 3.14Å; S200-D203 VanDerWaalsContact O-N 3.16Å; S200-D204 WeakPolarHBondContact O-CB 3.43Å; S200-D204 PolarHBondContact O-N 2.9Å |
| 201 | T | 93.6 | Very high | 93.8 | Very high | 73 Ų | 73 | 100.1 Ų | 100.1 | 45% | 0.448 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 178.5 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | D197 Y198 I205 | D197-T201 WeakPolarHBondContact O-CB 3.48Å; D197-T201 WeakPolarHBondContact O-CG2 3.39Å; D197-T201 PolarHBondContact O-N 3.5Å; D197-T201 PolarHBondContact O-OG1 3.24Å; Y198-T201 WeakPolarHBondContact CA-OG1 3.25Å; Y198-T201 PolarHBondContact O-OG1 3.37Å; T201-I205 WeakPolarHBondContact O-CB 3.25Å; T201-I205 WeakPolarHBondContact O-CD1 3.34Å; T201-I205 WeakPolarHBondContact O-CG1 3.4Å; T201-I205 PolarHBondContact O-N 3.37Å |
| 202 | R | 94.8 | Very high | 93.6 | Very high | 141 Ų | 141 | 102.1 Ų | 102.1 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 174.2 | -169 | -169.2 | 77.7 | 157.7 | 1 | 111.7 | Y198 Q199 S200 I205 K206 | Y198-R202 VanDerWaalsContact O-CB 3.24Å; Y198-R202 WeakPolarHBondContact O-CB 3.36Å; Y198-R202 PolarHBondContact O-N 2.95Å; Q199-R202 WeakPolarHBondContact O-CB 3.44Å; Q199-R202 PolarHBondContact O-N 2.89Å; S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 2.93Å; R202-I205 PolarHBondContact O-N 2.93Å; R202-K206 WeakPolarHBondContact O-CB 3.3Å; R202-K206 PolarHBondContact O-N 3.49Å |
| 203 | D | 93.5 | Very high | 93.5 | Very high | 64 Ų | 64 | 108.3 Ų | 108.3 | 34% | 0.342 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.4 | -36.6 | -179.6 | -70.7 | -10.5 | 0 | 0 | 0 | 111.6 | Q199 S200 K206 N207 | Q199-D203 WeakPolarHBondContact O-CB 3.47Å; Q199-D203 PolarHBondContact O-N 3.36Å; S200-D203 PolarHBondContact O-N 3.14Å; S200-D203 VanDerWaalsContact O-N 3.16Å; D203-K206 WeakPolarHBondContact O-CB 3.47Å; D203-K206 PolarHBondContact O-N 3.32Å; D203-N207 WeakPolarHBondContact O-CB 3.5Å; D203-N207 VanDerWaalsContact O-CG 3.23Å; D203-N207 PolarHBondContact O-N 2.97Å; D203-N207 PolarHBondContact O-ND2 3.28Å |
| 204 | D | 93.8 | Very high | 93.3 | Very high | 70 Ų | 70 | 107.5 Ų | 107.5 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 171.2 | -76.5 | -19 | 0 | 0 | 0 | 111.9 | S200 K206 N207 R208 | S200-D204 WeakPolarHBondContact O-CB 3.43Å; S200-D204 PolarHBondContact O-N 2.9Å; D204-K206 VanDerWaalsContact C-N 3.3Å; D204-K206 PolarHBondContact O-N 3.49Å; D204-N207 PolarHBondContact O-N 3.28Å; D204-R208 WeakPolarHBondContact O-CB 3.5Å; D204-R208 WeakPolarHBondContact O-CG 3.26Å; D204-R208 PolarHBondContact O-N 3.46Å |
| 205 | I | 92.1 | Very high | 93.1 | Very high | 93 Ų | 93 | 107.2 Ų | 107.2 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.5 | -69.8 | 164.1 | 0 | 0 | 0 | 110 | T201 R202 N209 | T201-I205 WeakPolarHBondContact O-CB 3.25Å; T201-I205 WeakPolarHBondContact O-CD1 3.34Å; T201-I205 WeakPolarHBondContact O-CG1 3.4Å; T201-I205 PolarHBondContact O-N 3.37Å; R202-I205 PolarHBondContact O-N 2.93Å; I205-N209 WeakPolarHBondContact CG2-ND2 3.39Å; I205-N209 WeakPolarHBondContact O-CB 3.37Å; I205-N209 PolarHBondContact O-N 3.26Å; I205-N209 PolarHBondContact O-ND2 3.06Å |
| 206 | K | 94.9 | Very high | 92.8 | Very high | 129 Ų | 129 | 104.6 Ų | 104.6 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -44.1 | 176.9 | -173.9 | -176.6 | 175.6 | -171.5 | 0 | 111.2 | R202 D203 D204 N209 I210 | R202-K206 WeakPolarHBondContact O-CB 3.3Å; R202-K206 PolarHBondContact O-N 3.49Å; D203-K206 WeakPolarHBondContact O-CB 3.47Å; D203-K206 PolarHBondContact O-N 3.32Å; D204-K206 VanDerWaalsContact C-N 3.3Å; D204-K206 PolarHBondContact O-N 3.49Å; K206-N209 PolarHBondContact O-N 3.46Å; K206-I210 HydrophobicContact CG-CD1 4.2Å; K206-I210 VanDerWaalsContact O-CG1 3.28Å; K206-I210 WeakPolarHBondContact O-CG1 3.42Å; K206-I210 PolarHBondContact O-N 2.86Å |
| 207 | N | 92.9 | Very high | 92.7 | Very high | 80 Ų | 80 | 105.4 Ų | 105.4 | 43% | 0.428 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 178.3 | -71 | -19.5 | 0 | 0 | 0 | 111.7 | D203 D204 N209 I210 E211 | D203-N207 WeakPolarHBondContact O-CB 3.5Å; D203-N207 VanDerWaalsContact O-CG 3.23Å; D203-N207 PolarHBondContact O-N 2.97Å; D203-N207 PolarHBondContact O-ND2 3.28Å; D204-N207 PolarHBondContact O-N 3.28Å; N207-N209 VanDerWaalsContact C-N 3.33Å; N207-N209 PolarHBondContact O-N 2.91Å; N207-I210 CarbonylContact O-C 3.59Å; N207-I210 WeakPolarHBondContact O-CA 3.3Å; N207-I210 WeakPolarHBondContact O-CB 3.26Å; N207-I210 PolarHBondContact O-N 3.49Å; N207-E211 WeakPolarHBondContact O-CG 3.36Å; N207-E211 PolarHBondContact O-N 3.37Å |
| 208 | R | 93.6 | Very high | 92.4 | Very high | 144 Ų | 144 | 105.8 Ų | 105.8 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.2 | -44.5 | 173.5 | -75.2 | -178.9 | -172.7 | 129.3 | 6.2 | 112.1 | D204 I210 E211 E212 | D204-R208 WeakPolarHBondContact O-CB 3.5Å; D204-R208 WeakPolarHBondContact O-CG 3.26Å; D204-R208 PolarHBondContact O-N 3.46Å; R208-I210 VanDerWaalsContact C-N 3.29Å; R208-I210 PolarHBondContact O-N 3.37Å; R208-E211 PolarHBondContact O-N 2.94Å; R208-E212 WeakPolarHBondContact O-CB 3.41Å; R208-E212 WeakPolarHBondContact O-CG 3.3Å; R208-E212 PolarHBondContact O-N 3.41Å |
| 209 | N | 91.6 | Very high | 92.2 | Very high | 91 Ų | 91 | 104.3 Ų | 104.3 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 175.5 | -85.2 | -70.2 | 0 | 0 | 0 | 112.3 | I205 K206 N207 K213 | I205-N209 WeakPolarHBondContact CG2-ND2 3.39Å; I205-N209 WeakPolarHBondContact O-CB 3.37Å; I205-N209 PolarHBondContact O-N 3.26Å; I205-N209 PolarHBondContact O-ND2 3.06Å; K206-N209 PolarHBondContact O-N 3.46Å; N207-N209 VanDerWaalsContact C-N 3.33Å; N207-N209 PolarHBondContact O-N 2.91Å; N209-K213 WeakPolarHBondContact O-CB 3.45Å; N209-K213 PolarHBondContact O-N 3.46Å |
| 210 | I | 93.5 | Very high | 91.8 | Very high | 75 Ų | 75 | 104.2 Ų | 104.2 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.6 | -46.5 | 175.3 | -69.9 | 163.9 | 0 | 0 | 0 | 110.1 | K206 N207 R208 K213 H214 | K206-I210 HydrophobicContact CG-CD1 4.2Å; K206-I210 VanDerWaalsContact O-CG1 3.28Å; K206-I210 WeakPolarHBondContact O-CG1 3.42Å; K206-I210 PolarHBondContact O-N 2.86Å; N207-I210 CarbonylContact O-C 3.59Å; N207-I210 WeakPolarHBondContact O-CA 3.3Å; N207-I210 WeakPolarHBondContact O-CB 3.26Å; N207-I210 PolarHBondContact O-N 3.49Å; R208-I210 VanDerWaalsContact C-N 3.29Å; R208-I210 PolarHBondContact O-N 3.37Å; I210-K213 PolarHBondContact O-N 2.79Å; I210-H214 PolarHBondContact O-CD2 3.45Å; I210-H214 PolarHBondContact O-N 3.42Å |
| 211 | E | 91.5 | Very high | 91.3 | Very high | 131 Ų | 131 | 105.7 Ų | 105.7 | 61% | 0.612 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.5 | -47.3 | 177 | -72 | 172.9 | -174.8 | 0 | 0 | 112.4 | N207 R208 K213 H214 A215 | N207-E211 WeakPolarHBondContact O-CG 3.36Å; N207-E211 PolarHBondContact O-N 3.37Å; R208-E211 PolarHBondContact O-N 2.94Å; E211-K213 VanDerWaalsContact C-N 3.34Å; E211-K213 PolarHBondContact O-N 3.48Å; E211-H214 CarbonylContact O-C 3.55Å; E211-H214 PolarHBondContact O-N 3.06Å; E211-H214 VanDerWaalsContact O-N 3.13Å; E211-A215 WeakPolarHBondContact O-CB 3.28Å; E211-A215 PolarHBondContact O-N 3.36Å |
| 212 | E | 90.6 | Very high | 91 | Very high | 116 Ų | 116 | 104 Ų | 104 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 176.1 | -75.2 | 176.5 | -172.3 | 0 | 0 | 111.2 | R208 H214 A215 L216 | R208-E212 WeakPolarHBondContact O-CB 3.41Å; R208-E212 WeakPolarHBondContact O-CG 3.3Å; R208-E212 PolarHBondContact O-N 3.41Å; E212-H214 VanDerWaalsContact C-N 3.32Å; E212-H214 PolarHBondContact O-N 2.86Å; E212-A215 PolarHBondContact O-N 2.92Å; E212-L216 VanDerWaalsContact O-CB 3.31Å; E212-L216 WeakPolarHBondContact O-CB 3.46Å; E212-L216 VanDerWaalsContact O-CG 3.29Å; E212-L216 WeakPolarHBondContact O-CG 3.33Å; E212-L216 PolarHBondContact O-N 3.29Å |
| 213 | K | 91.2 | Very high | 90.4 | Very high | 163 Ų | 163 | 100.9 Ų | 100.9 | 71% | 0.709 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -41.7 | 174.1 | -177.9 | -178.1 | 174.8 | -178 | 0 | 111.4 | N209 I210 E211 R217 | N209-K213 WeakPolarHBondContact O-CB 3.45Å; N209-K213 PolarHBondContact O-N 3.46Å; I210-K213 PolarHBondContact O-N 2.79Å; E211-K213 VanDerWaalsContact C-N 3.34Å; E211-K213 PolarHBondContact O-N 3.48Å; K213-R217 WeakPolarHBondContact O-CB 3.29Å; K213-R217 PolarHBondContact O-N 2.93Å |
| 214 | H | 91.4 | Very high | 90 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.4 | -42.7 | 175.4 | -79.4 | -65.8 | 0 | 0 | 0 | 112.3 | I210 E211 E212 R217 I218 | I210-H214 PolarHBondContact O-CD2 3.45Å; I210-H214 PolarHBondContact O-N 3.42Å; E211-H214 CarbonylContact O-C 3.55Å; E211-H214 PolarHBondContact O-N 3.06Å; E211-H214 VanDerWaalsContact O-N 3.13Å; E212-H214 VanDerWaalsContact C-N 3.32Å; E212-H214 PolarHBondContact O-N 2.86Å; H214-R217 WeakPolarHBondContact O-CB 3.2Å; H214-R217 PolarHBondContact O-N 2.96Å; H214-I218 WeakPolarHBondContact O-CG1 3.31Å; H214-I218 PolarHBondContact O-N 2.8Å |
| 215 | A | 90.5 | Very high | 89.5 | Confident | 48 Ų | 48 | 104.5 Ų | 104.5 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E211 E212 R217 I218 Q219 | E211-A215 WeakPolarHBondContact O-CB 3.28Å; E211-A215 PolarHBondContact O-N 3.36Å; E212-A215 PolarHBondContact O-N 2.92Å; A215-R217 VanDerWaalsContact C-N 3.3Å; A215-R217 PolarHBondContact O-N 2.96Å; A215-I218 PolarHBondContact O-N 3.33Å; A215-Q219 WeakPolarHBondContact O-CG 3.42Å; A215-Q219 PolarHBondContact O-N 2.8Å |
| 216 | L | 87.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 100.9 Ų | 100.9 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -41.4 | 173.8 | -76.5 | 170.4 | 0 | 0 | 0 | 111.3 | E212 Q219 L220 | E212-L216 VanDerWaalsContact O-CB 3.31Å; E212-L216 WeakPolarHBondContact O-CB 3.46Å; E212-L216 VanDerWaalsContact O-CG 3.29Å; E212-L216 WeakPolarHBondContact O-CG 3.33Å; E212-L216 PolarHBondContact O-N 3.29Å; L216-Q219 PolarHBondContact O-N 3.37Å; L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 VanDerWaalsContact O-CG 3.25Å; L216-L220 WeakPolarHBondContact O-CG 3.1Å; L216-L220 PolarHBondContact O-N 2.95Å |
| 217 | R | 91.8 | Very high | 88.5 | Confident | 152 Ų | 152 | 99.4 Ų | 99.4 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.6 | -48.6 | 175 | -179.2 | -179.1 | 177.2 | 172.6 | 3.1 | 111.5 | K213 H214 A215 Q219 L220 E221 | K213-R217 WeakPolarHBondContact O-CB 3.29Å; K213-R217 PolarHBondContact O-N 2.93Å; H214-R217 WeakPolarHBondContact O-CB 3.2Å; H214-R217 PolarHBondContact O-N 2.96Å; A215-R217 VanDerWaalsContact C-N 3.3Å; A215-R217 PolarHBondContact O-N 2.96Å; R217-Q219 PolarHBondContact O-N 3.46Å; R217-L220 PolarHBondContact O-N 2.88Å; R217-E221 HydrophobicContact CG-CG 4.47Å; R217-E221 WeakPolarHBondContact CG-OE1 3.47Å; R217-E221 IonicContact CZ-OE1 3.92Å; R217-E221 IonicContact NE-OE1 3.84Å; R217-E221 PolarHBondContact NE-OE1 2.9Å; R217-E221 IonicContact NH2-OE1 2.93Å; R217-E221 WeakPolarHBondContact O-CB 3.47Å; R217-E221 VanDerWaalsContact O-CG 3.32Å; R217-E221 WeakPolarHBondContact O-CG 3.39Å; R217-E221 PolarHBondContact O-N 3.42Å |
| 218 | I | 89.9 | Confident | 87.8 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 60% | 0.595 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 178.1 | -66.7 | 164.8 | 0 | 0 | 0 | 111 | H214 A215 E221 G222 | H214-I218 WeakPolarHBondContact O-CG1 3.31Å; H214-I218 PolarHBondContact O-N 2.8Å; A215-I218 PolarHBondContact O-N 3.33Å; I218-E221 PolarHBondContact O-N 3.45Å; I218-G222 PolarHBondContact O-N 3.49Å |
| 219 | Q | 88.6 | Confident | 87.2 | Confident | 128 Ų | 128 | 104.4 Ų | 104.4 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 176.6 | -74.9 | -178.3 | -6.8 | 0 | 0 | 112.3 | A215 L216 R217 G222 T223 | A215-Q219 WeakPolarHBondContact O-CG 3.42Å; A215-Q219 PolarHBondContact O-N 2.8Å; L216-Q219 PolarHBondContact O-N 3.37Å; R217-Q219 PolarHBondContact O-N 3.46Å; Q219-G222 PolarHBondContact O-N 3.34Å; Q219-T223 WeakPolarHBondContact O-CG2 3.27Å; Q219-T223 PolarHBondContact O-N 2.89Å; Q219-T223 PolarHBondContact O-OG1 3.25Å |
| 220 | L | 85.9 | Confident | 86.4 | Confident | 111 Ų | 111 | 105.9 Ų | 105.9 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.7 | -43.4 | 176.9 | -73.6 | 169.9 | 0 | 0 | 0 | 111.2 | L216 R217 G222 T223 V224 | L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 VanDerWaalsContact O-CG 3.25Å; L216-L220 WeakPolarHBondContact O-CG 3.1Å; L216-L220 PolarHBondContact O-N 2.95Å; R217-L220 PolarHBondContact O-N 2.88Å; L220-G222 VanDerWaalsContact C-N 3.29Å; L220-G222 PolarHBondContact O-N 3Å; L220-T223 WeakPolarHBondContact CA-OG1 3.45Å; L220-T223 PolarHBondContact O-N 3.44Å; L220-T223 PolarHBondContact O-OG1 3.42Å; L220-V224 WeakPolarHBondContact O-CB 3.47Å; L220-V224 VanDerWaalsContact O-CG2 3.25Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 3.24Å |
| 221 | E | 84.7 | Confident | 85.5 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 172.4 | -73.1 | 169.6 | -177.9 | 0 | 0 | 110.5 | R217 I218 V224 E225 | R217-E221 HydrophobicContact CG-CG 4.47Å; R217-E221 WeakPolarHBondContact CG-OE1 3.47Å; R217-E221 IonicContact CZ-OE1 3.92Å; R217-E221 IonicContact NE-OE1 3.84Å; R217-E221 PolarHBondContact NE-OE1 2.9Å; R217-E221 IonicContact NH2-OE1 2.93Å; R217-E221 WeakPolarHBondContact O-CB 3.47Å; R217-E221 VanDerWaalsContact O-CG 3.32Å; R217-E221 WeakPolarHBondContact O-CG 3.39Å; R217-E221 PolarHBondContact O-N 3.42Å; I218-E221 PolarHBondContact O-N 3.45Å; E221-V224 PolarHBondContact O-N 2.91Å; E221-E225 WeakPolarHBondContact O-CG 3.45Å; E221-E225 PolarHBondContact O-N 2.72Å |
| 222 | G | 86.1 | Confident | 84.6 | Confident | 37 Ų | 37 | 107.7 Ų | 107.7 | 38% | 0.381 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I218 Q219 L220 E225 G226 | I218-G222 PolarHBondContact O-N 3.49Å; Q219-G222 PolarHBondContact O-N 3.34Å; L220-G222 VanDerWaalsContact C-N 3.29Å; L220-G222 PolarHBondContact O-N 3Å; G222-E225 PolarHBondContact O-N 2.87Å; G222-G226 PolarHBondContact O-N 3.48Å |
| 223 | T | 83.3 | Confident | 83.7 | Confident | 76 Ų | 76 | 108.7 Ų | 108.7 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.6 | -36.3 | 175.2 | 52 | 0 | 0 | 0 | 0 | 111.6 | Q219 L220 G226 L227 | Q219-T223 WeakPolarHBondContact O-CG2 3.27Å; Q219-T223 PolarHBondContact O-N 2.89Å; Q219-T223 PolarHBondContact O-OG1 3.25Å; L220-T223 WeakPolarHBondContact CA-OG1 3.45Å; L220-T223 PolarHBondContact O-N 3.44Å; L220-T223 PolarHBondContact O-OG1 3.42Å; T223-G226 PolarHBondContact O-N 2.85Å; T223-L227 WeakPolarHBondContact O-CB 3.43Å; T223-L227 WeakPolarHBondContact O-CG 3.33Å; T223-L227 PolarHBondContact O-N 3.47Å |
| 224 | V | 84.1 | Confident | 82.4 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 60% | 0.6 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61 | -46 | 172.5 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L220 E221 G226 W228 | L220-V224 WeakPolarHBondContact O-CB 3.47Å; L220-V224 VanDerWaalsContact O-CG2 3.25Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 3.24Å; E221-V224 PolarHBondContact O-N 2.91Å; V224-G226 VanDerWaalsContact C-N 3.35Å; V224-G226 PolarHBondContact O-N 2.95Å; V224-W228 WeakPolarHBondContact O-CB 3.41Å; V224-W228 PolarHBondContact O-N 2.84Å |
| 225 | E | 84.4 | Confident | 81 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -39.3 | 174.6 | -72.4 | -179 | -173 | 0 | 0 | 112.9 | E221 G222 W228 R229 | E221-E225 WeakPolarHBondContact O-CG 3.45Å; E221-E225 PolarHBondContact O-N 2.72Å; G222-E225 PolarHBondContact O-N 2.87Å; E225-W228 PolarHBondContact O-N 3.05Å; E225-R229 PolarHBondContact O-N 3.16Å; E225-R229 VanDerWaalsContact O-N 3.13Å; E225-R229 IonicContact OE2-NH2 2.77Å |
| 226 | G | 82.9 | Confident | 79.5 | Confident | 18 Ų | 18 | 110.4 Ų | 110.4 | 19% | 0.186 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G222 T223 V224 W228 R229 Q230 | G222-G226 PolarHBondContact O-N 3.48Å; T223-G226 PolarHBondContact O-N 2.85Å; V224-G226 VanDerWaalsContact C-N 3.35Å; V224-G226 PolarHBondContact O-N 2.95Å; G226-W228 VanDerWaalsContact C-N 3.28Å; G226-W228 PolarHBondContact O-N 2.92Å; G226-R229 PolarHBondContact O-N 2.88Å; G226-Q230 WeakPolarHBondContact O-CG 3.44Å; G226-Q230 PolarHBondContact O-N 3.29Å |
| 227 | L | 82.3 | Confident | 78 | Confident | 98 Ų | 98 | 108.8 Ų | 108.8 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -36 | 175.3 | -74.4 | 171.4 | 0 | 0 | 0 | 111.4 | T223 Q230 F231 | T223-L227 WeakPolarHBondContact O-CB 3.43Å; T223-L227 WeakPolarHBondContact O-CG 3.33Å; T223-L227 PolarHBondContact O-N 3.47Å; L227-Q230 PolarHBondContact O-N 3.04Å; L227-F231 WeakPolarHBondContact O-CB 3.26Å; L227-F231 PolarHBondContact O-N 2.87Å |
| 228 | W | 78.8 | Confident | 76 | Confident | 173 Ų | 173 | 109.7 Ų | 109.7 | 66% | 0.655 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.3 | -42.4 | 174.4 | -173.8 | -113.4 | 0 | 0 | 0 | 112.4 | V224 E225 G226 Q232 | V224-W228 WeakPolarHBondContact O-CB 3.41Å; V224-W228 PolarHBondContact O-N 2.84Å; E225-W228 PolarHBondContact O-N 3.05Å; G226-W228 VanDerWaalsContact C-N 3.28Å; G226-W228 PolarHBondContact O-N 2.92Å; W228-Q232 WeakPolarHBondContact O-CG 3.32Å; W228-Q232 PolarHBondContact O-N 3.46Å |
| 229 | R | 79.6 | Confident | 74.1 | Confident | 155 Ų | 155 | 110.7 Ų | 110.7 | 59% | 0.585 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.4 | -42.3 | 173.6 | -68.5 | -178.5 | -154.8 | 124.3 | 11.2 | 112.1 | E225 G226 Q232 Q233 | E225-R229 PolarHBondContact O-N 3.16Å; E225-R229 VanDerWaalsContact O-N 3.13Å; E225-R229 IonicContact OE2-NH2 2.77Å; G226-R229 PolarHBondContact O-N 2.88Å; R229-Q232 PolarHBondContact O-N 2.7Å; R229-Q233 WeakPolarHBondContact O-CB 3.31Å; R229-Q233 PolarHBondContact O-N 3.49Å |
| 230 | Q | 76.1 | Confident | 72.4 | Confident | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -39.2 | 178.3 | -71.6 | 176.3 | 12.2 | 0 | 0 | 112.2 | G226 L227 Q232 Q233 A234 | G226-Q230 WeakPolarHBondContact O-CG 3.44Å; G226-Q230 PolarHBondContact O-N 3.29Å; L227-Q230 PolarHBondContact O-N 3.04Å; Q230-Q232 VanDerWaalsContact C-N 3.33Å; Q230-Q232 PolarHBondContact O-N 3.48Å; Q230-Q233 PolarHBondContact O-N 2.91Å; Q230-Q233 VanDerWaalsContact O-N 3.14Å; Q230-A234 VanDerWaalsContact O-CB 3.3Å; Q230-A234 WeakPolarHBondContact O-CB 3.49Å; Q230-A234 PolarHBondContact O-N 2.9Å |
| 231 | F | 74.4 | Confident | 70.5 | Confident | 154 Ų | 154 | 111.6 Ų | 111.6 | 68% | 0.675 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.8 | -42.7 | 173.9 | -115.9 | -75.2 | 0 | 0 | 0 | 111.6 | L227 Q233 L235 | L227-F231 WeakPolarHBondContact O-CB 3.26Å; L227-F231 PolarHBondContact O-N 2.87Å; F231-Q233 VanDerWaalsContact C-N 3.26Å; F231-Q233 PolarHBondContact O-N 3.34Å; F231-L235 WeakPolarHBondContact O-CB 3.31Å; F231-L235 PolarHBondContact O-N 3.43Å |
| 232 | Q | 72.1 | Confident | 68.3 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -29.3 | 175.5 | -72.8 | -170.6 | -3.3 | 0 | 0 | 113.2 | W228 R229 Q230 R236 | W228-Q232 WeakPolarHBondContact O-CG 3.32Å; W228-Q232 PolarHBondContact O-N 3.46Å; R229-Q232 PolarHBondContact O-N 2.7Å; Q230-Q232 VanDerWaalsContact C-N 3.33Å; Q230-Q232 PolarHBondContact O-N 3.48Å; Q232-R236 WeakPolarHBondContact O-CG 3.3Å |
| 233 | Q | 71.9 | Confident | 66.1 | Low | 137 Ų | 137 | 118.2 Ų | 118.2 | 64% | 0.64 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -82.9 | -41.2 | 179.6 | -160.1 | 166.1 | 11.2 | 0 | 0 | 112 | R229 Q230 F231 R236 S237 | R229-Q233 WeakPolarHBondContact O-CB 3.31Å; R229-Q233 PolarHBondContact O-N 3.49Å; Q230-Q233 PolarHBondContact O-N 2.91Å; Q230-Q233 VanDerWaalsContact O-N 3.14Å; F231-Q233 VanDerWaalsContact C-N 3.26Å; F231-Q233 PolarHBondContact O-N 3.34Å; Q233-R236 WeakPolarHBondContact O-CB 3.39Å; Q233-R236 PolarHBondContact O-N 3.5Å; Q233-R236 VanDerWaalsContact O-N 3.16Å; Q233-S237 PolarHBondContact O-N 3.03Å; Q233-S237 VanDerWaalsContact O-N 3.09Å; Q233-S237 PolarHBondContact O-OG 3.27Å |
| 234 | A | 63.5 | Low | 64.3 | Low | 52 Ų | 52 | 122 Ų | 122 | 43% | 0.43 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.1 | -37 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q230 R236 S237 Y238 | Q230-A234 VanDerWaalsContact O-CB 3.3Å; Q230-A234 WeakPolarHBondContact O-CB 3.49Å; Q230-A234 PolarHBondContact O-N 2.9Å; A234-R236 PolarHBondContact O-N 3.24Å; A234-S237 WeakPolarHBondContact CA-OG 3.45Å; A234-S237 PolarHBondContact O-N 2.9Å; A234-S237 PolarHBondContact O-OG 2.91Å; A234-Y238 WeakPolarHBondContact O-CB 3.1Å; A234-Y238 PolarHBondContact O-N 3.19Å |
| 235 | L | 61.6 | Low | 62.6 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.2 | -28.8 | 173.7 | -162 | 81.2 | 0 | 0 | 0 | 112.4 | F231 | F231-L235 WeakPolarHBondContact O-CB 3.31Å; F231-L235 PolarHBondContact O-N 3.43Å |
| 236 | R | 58.8 | Low | 60.6 | Low | 172 Ų | 172 | 130.8 Ų | 130.8 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -80.1 | -43.6 | 176.7 | -67.6 | 174.9 | -167.7 | 165.9 | 5.9 | 111.8 | Q232 Q233 A234 | Q232-R236 WeakPolarHBondContact O-CG 3.3Å; Q233-R236 WeakPolarHBondContact O-CB 3.39Å; Q233-R236 PolarHBondContact O-N 3.5Å; Q233-R236 VanDerWaalsContact O-N 3.16Å; A234-R236 PolarHBondContact O-N 3.24Å |
| 237 | S | 57.2 | Low | 59 | Low | 65 Ų | 65 | 138 Ų | 138 | 46% | 0.455 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -75.7 | -27.4 | 179.9 | 57.1 | 0 | 0 | 0 | 0 | 114 | Q233 A234 N239 E240 | Q233-S237 PolarHBondContact O-N 3.03Å; Q233-S237 VanDerWaalsContact O-N 3.09Å; Q233-S237 PolarHBondContact O-OG 3.27Å; A234-S237 WeakPolarHBondContact CA-OG 3.45Å; A234-S237 PolarHBondContact O-N 2.9Å; A234-S237 PolarHBondContact O-OG 2.91Å; S237-N239 VanDerWaalsContact C-N 3.3Å; S237-N239 PolarHBondContact O-N 3.49Å; S237-E240 PolarHBondContact O-N 3.19Å |
| 238 | Y | 49 | Very low | 57.6 | Low | 170 Ų | 170 | 138 Ų | 138 | 67% | 0.667 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.4 | -25.9 | 178.9 | -170.4 | -97.1 | 0 | 0 | 0 | 112.8 | A234 | A234-Y238 WeakPolarHBondContact O-CB 3.1Å; A234-Y238 PolarHBondContact O-N 3.19Å |
| 239 | N | 51.1 | Low | 56.2 | Low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -16 | 173.4 | -87.1 | -12.9 | 0 | 0 | 0 | 113.8 | S237 | S237-N239 VanDerWaalsContact C-N 3.3Å; S237-N239 PolarHBondContact O-N 3.49Å |
| 240 | E | 52.3 | Low | 54.8 | Low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -10.1 | -173.5 | -71.1 | 178.2 | 167.5 | 0 | 0 | 113.5 | S237 | S237-E240 PolarHBondContact O-N 3.19Š|
| 241 | A | 46.1 | Very low | 53.7 | Low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -142 | 28.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 242 | T | 39.5 | Very low | 52.7 | Low | 89 Ų | 89 | 134.7 Ų | 134.7 | 55% | 0.546 | 69% | 0.687 | S | S | . | * | trans | -94.2 | 117 | 164.7 | 41.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 243 | E | 39.2 | Very low | 51.9 | Low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 70% | 0.697 | S | S | * | * | S | Bend | -174.8 | -35.4 | 105.8 | -103.8 | 179 | 140.9 | 0 | 0 | 115.5 | |||
| 244 | D | 45.5 | Very low | 51.4 | Low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -111.3 | 11 | -152.8 | -76.5 | -23.8 | 0 | 0 | 0 | 121 | ||
| 245 | R | 48.7 | Very low | 51.2 | Low | 248 Ų | 248 | 142.5 Ų | 142.5 | 94% | 0.936 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -137.2 | 28.2 | -176.3 | -84.2 | -171.3 | 176.4 | 99.1 | -1.5 | 118 | ||
| 246 | H | 42 | Very low | 51.2 | Low | 147 Ų | 147 | 142.7 Ų | 142.7 | 68% | 0.681 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -96.8 | -9.8 | -176 | -140.4 | -64.1 | 0 | 0 | 0 | 116.2 | ||
| 247 | I | 50.1 | Low | 51.8 | Low | 170 Ų | 170 | 139.8 Ų | 139.8 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -101.3 | -13.3 | -162.7 | -59.9 | 177.6 | 0 | 0 | 0 | 115.2 | ||
| 248 | A | 51.8 | Low | 52.3 | Low | 97 Ų | 97 | 144.7 Ų | 144.7 | 80% | 0.802 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -99.9 | -10.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 249 | F | 50.1 | Low | 53.1 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 70% | 0.697 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -107.6 | -14.9 | -169.2 | -167.1 | -104.1 | 0 | 0 | 0 | 115.7 | ||
| 250 | E | 49.5 | Very low | 54.1 | Low | 137 Ų | 137 | 135.9 Ų | 135.9 | 64% | 0.64 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -80.6 | -17.3 | -171.5 | -79.1 | -163.1 | 146.8 | 0 | 0 | 115.9 | ||
| 251 | S | 53.5 | Low | 55.1 | Low | 91 Ų | 91 | 133 Ų | 133 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.9 | -23.8 | -171.6 | 64.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 252 | L | 53.4 | Low | 56.3 | Low | 147 Ų | 147 | 135.5 Ų | 135.5 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -94.3 | -23.6 | -176.4 | -87.8 | 144.9 | 0 | 0 | 0 | 113.9 | ||
| 253 | R | 55.3 | Low | 57.7 | Low | 170 Ų | 170 | 137 Ų | 137 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.3 | -23.2 | -178.1 | -171.3 | 175.9 | 172 | -176.4 | -1.5 | 114 | ||
| 254 | T | 60.8 | Low | 59.5 | Low | 68 Ų | 68 | 132 Ų | 132 | 42% | 0.417 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -85.1 | -12.5 | -173.5 | 49.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 255 | R | 60.8 | Low | 61.1 | Low | 206 Ų | 206 | 127.9 Ų | 127.9 | 78% | 0.777 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -88.4 | -36.5 | 178.6 | -101.7 | 172.4 | 69.1 | 161 | -0.9 | 114.2 | S259 | R255-S259 PolarHBondContact O-OG 3.47Å |
| 256 | D | 60.8 | Low | 62.5 | Low | 131 Ų | 131 | 121 Ų | 121 | 70% | 0.701 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.7 | -27.8 | 178.1 | -90.9 | 0.4 | 0 | 0 | 0 | 113.5 | R258 S259 | D256-R258 VanDerWaalsContact C-N 3.31Å; D256-R258 PolarHBondContact O-N 3.06Å; D256-S259 PolarHBondContact O-OG 3.2Å |
| 257 | Q | 71.1 | Confident | 64.3 | Low | 112 Ų | 112 | 120 Ų | 120 | 52% | 0.523 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.4 | -27.9 | 179.8 | -163.8 | 102.1 | 15.7 | 0 | 0 | 112.7 | Q261 | Q257-Q261 WeakPolarHBondContact O-CG 3.36Å |
| 258 | R | 67.8 | Low | 65.8 | Low | 168 Ų | 168 | 119.2 Ų | 119.2 | 63% | 0.634 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -83.2 | -40.2 | -174.2 | -69.1 | 179.2 | -178.2 | 159 | 2.6 | 112.5 | D256 Q261 E262 | D256-R258 VanDerWaalsContact C-N 3.31Å; D256-R258 PolarHBondContact O-N 3.06Å; R258-Q261 PolarHBondContact O-N 3.21Å; R258-E262 PolarHBondContact O-N 3.07Å |
| 259 | S | 66.1 | Low | 67.2 | Low | 59 Ų | 59 | 121.9 Ų | 121.9 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.4 | -32.3 | 177.9 | 31.8 | 0 | 0 | 0 | 0 | 113.1 | R255 D256 I263 | R255-S259 PolarHBondContact O-OG 3.47Å; D256-S259 PolarHBondContact O-OG 3.2Å; S259-I263 WeakPolarHBondContact O-CG1 3.33Å |
| 260 | A | 71.4 | Confident | 68.6 | Low | 63 Ų | 63 | 119.5 Ų | 119.5 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.2 | -34.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D264 | A260-D264 PolarHBondContact O-N 3.04Å |
| 261 | Q | 73.6 | Confident | 70.3 | Confident | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.523 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.2 | -34.4 | -179.9 | -71.9 | 176.2 | -2.2 | 0 | 0 | 112.3 | Q257 R258 T265 | Q257-Q261 WeakPolarHBondContact O-CG 3.36Å; R258-Q261 PolarHBondContact O-N 3.21Å; Q261-T265 VanDerWaalsContact O-CG2 3.24Å; Q261-T265 WeakPolarHBondContact O-CG2 3.23Å; Q261-T265 PolarHBondContact O-N 3.44Å; Q261-T265 PolarHBondContact O-OG1 3.43Å |
| 262 | E | 72.1 | Confident | 71.9 | Confident | 137 Ų | 137 | 121.1 Ų | 121.1 | 64% | 0.64 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.1 | -39.5 | 179 | -74.5 | 177 | 174.2 | 0 | 0 | 112.6 | R258 T265 Q266 | R258-E262 PolarHBondContact O-N 3.07Å; E262-T265 PolarHBondContact O-N 3.31Å; E262-T265 PolarHBondContact O-OG1 2.83Å; E262-Q266 WeakPolarHBondContact O-CG 3.31Å; E262-Q266 PolarHBondContact O-N 2.96Å |
| 263 | I | 69.4 | Low | 73.2 | Confident | 120 Ų | 120 | 119.7 Ų | 119.7 | 62% | 0.615 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.7 | -41.8 | 178.5 | -64.8 | 171.3 | 0 | 0 | 0 | 111.5 | S259 Q266 M267 | S259-I263 WeakPolarHBondContact O-CG1 3.33Å; I263-Q266 PolarHBondContact O-N 2.68Å; I263-M267 PolarHBondContact O-N 3.49Å; I263-M267 VanDerWaalsContact O-N 3.09Å |
| 264 | D | 76.3 | Confident | 74.8 | Confident | 74 Ų | 74 | 117.3 Ų | 117.3 | 40% | 0.396 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.4 | -38.2 | -179.9 | -167.3 | 10.5 | 0 | 0 | 0 | 111.9 | A260 Q266 M267 R268 | A260-D264 PolarHBondContact O-N 3.04Å; D264-Q266 PolarHBondContact O-N 3.45Å; D264-M267 PolarHBondContact O-N 3.3Å; D264-R268 WeakPolarHBondContact O-CG 3.28Å; D264-R268 PolarHBondContact O-N 3.01Å; D264-R268 VanDerWaalsContact O-N 3.12Å; D264-R268 IonicContact OD1-CZ 2.91Å; D264-R268 IonicContact OD1-NE 3.46Å; D264-R268 PolarHBondContact OD1-NE 2.95Å; D264-R268 IonicContact OD1-NH2 3.07Å; D264-R268 PolarHBondContact OD1-NH2 3.36Å; D264-R268 IonicContact OD2-CZ 3.45Å; D264-R268 IonicContact OD2-NE 2.69Å; D264-R268 IonicContact OD2-NH2 3.58Å; D264-R268 PolarHBondContact OD2-NH2 3.4Å |
| 265 | T | 79.5 | Confident | 76.2 | Confident | 69 Ų | 69 | 117.9 Ų | 117.9 | 42% | 0.423 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.8 | -35.7 | 175.9 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | Q261 E262 R269 | Q261-T265 VanDerWaalsContact O-CG2 3.24Å; Q261-T265 WeakPolarHBondContact O-CG2 3.23Å; Q261-T265 PolarHBondContact O-N 3.44Å; Q261-T265 PolarHBondContact O-OG1 3.43Å; E262-T265 PolarHBondContact O-N 3.31Å; E262-T265 PolarHBondContact O-OG1 2.83Å; T265-R269 WeakPolarHBondContact O-CG 3.42Å; T265-R269 PolarHBondContact O-N 2.88Å |
| 266 | Q | 77 | Confident | 77.6 | Confident | 105 Ų | 105 | 110.9 Ų | 110.9 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.9 | -38.9 | 177.9 | -66.5 | -67.6 | -2.6 | 0 | 0 | 112.1 | E262 I263 D264 R269 L270 | E262-Q266 WeakPolarHBondContact O-CG 3.31Å; E262-Q266 PolarHBondContact O-N 2.96Å; I263-Q266 PolarHBondContact O-N 2.68Å; D264-Q266 PolarHBondContact O-N 3.45Å; Q266-R269 PolarHBondContact O-N 2.89Å; Q266-L270 PolarHBondContact O-N 3.12Å; Q266-L270 VanDerWaalsContact O-N 3.08Å |
| 267 | M | 79.3 | Confident | 78.8 | Confident | 126 Ų | 126 | 108.2 Ų | 108.2 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.9 | -43.2 | 174.6 | -83.8 | -74.5 | -78.7 | 0 | 0 | 112.7 | I263 D264 R269 L270 Q271 | I263-M267 PolarHBondContact O-N 3.49Å; I263-M267 VanDerWaalsContact O-N 3.09Å; D264-M267 PolarHBondContact O-N 3.3Å; M267-R269 VanDerWaalsContact C-N 3.33Å; M267-R269 PolarHBondContact O-N 3.08Å; M267-L270 PolarHBondContact O-N 3.46Å; M267-Q271 PolarHBondContact O-N 3.37Å |
| 268 | R | 81.8 | Confident | 79.8 | Confident | 153 Ų | 153 | 106.2 Ų | 106.2 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.9 | -32.1 | 177.8 | -67.2 | 176.9 | -161.4 | -151.1 | 8.8 | 113 | D264 K272 | D264-R268 WeakPolarHBondContact O-CG 3.28Å; D264-R268 PolarHBondContact O-N 3.01Å; D264-R268 VanDerWaalsContact O-N 3.12Å; D264-R268 IonicContact OD1-CZ 2.91Å; D264-R268 IonicContact OD1-NE 3.46Å; D264-R268 PolarHBondContact OD1-NE 2.95Å; D264-R268 IonicContact OD1-NH2 3.07Å; D264-R268 PolarHBondContact OD1-NH2 3.36Å; D264-R268 IonicContact OD2-CZ 3.45Å; D264-R268 IonicContact OD2-NE 2.69Å; D264-R268 IonicContact OD2-NH2 3.58Å; D264-R268 PolarHBondContact OD2-NH2 3.4Å; R268-K272 WeakPolarHBondContact O-CG 3.46Å; R268-K272 PolarHBondContact O-N 3.37Å; R268-K272 VanDerWaalsContact O-N 3.11Å |
| 269 | R | 81.1 | Confident | 80.9 | Confident | 152 Ų | 152 | 100.8 Ų | 100.8 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.2 | -42.7 | 174.7 | -76 | 176.8 | -175.5 | 174.3 | 2.3 | 111.5 | T265 Q266 M267 K272 M273 | T265-R269 WeakPolarHBondContact O-CG 3.42Å; T265-R269 PolarHBondContact O-N 2.88Å; Q266-R269 PolarHBondContact O-N 2.89Å; M267-R269 VanDerWaalsContact C-N 3.33Å; M267-R269 PolarHBondContact O-N 3.08Å; R269-K272 PolarHBondContact O-N 3.39Å; R269-M273 WeakPolarHBondContact O-CG 3.2Å; R269-M273 PolarHBondContact O-N 3.21Å; R269-M273 VanDerWaalsContact O-N 3.08Å |
| 270 | L | 79.8 | Confident | 82 | Confident | 109 Ų | 109 | 103.3 Ų | 103.3 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 174.3 | -81 | 167.5 | 0 | 0 | 0 | 111.7 | Q266 M267 K272 M273 Q274 | Q266-L270 PolarHBondContact O-N 3.12Å; Q266-L270 VanDerWaalsContact O-N 3.08Å; M267-L270 PolarHBondContact O-N 3.46Å; L270-K272 PolarHBondContact O-N 2.9Å; L270-M273 PolarHBondContact O-N 3.45Å; L270-Q274 WeakPolarHBondContact O-CB 3.47Å; L270-Q274 PolarHBondContact O-N 3.33Å |
| 271 | Q | 85 | Confident | 82.9 | Confident | 106 Ų | 106 | 108.6 Ų | 108.6 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.6 | -169 | 62.4 | 36.1 | 0 | 0 | 112.2 | M267 M273 Q274 D275 | M267-Q271 PolarHBondContact O-N 3.37Å; Q271-M273 VanDerWaalsContact C-N 3.3Å; Q271-M273 PolarHBondContact O-N 2.94Å; Q271-Q274 WeakPolarHBondContact O-CB 3.3Å; Q271-Q274 PolarHBondContact O-N 2.84Å; Q271-Q274 VanDerWaalsContact O-N 3.13Å; Q271-D275 PolarHBondContact NE2-OD1 2.93Å; Q271-D275 PolarHBondContact O-N 3.29Å |
| 272 | K | 87.4 | Confident | 83.7 | Confident | 156 Ų | 156 | 107.1 Ų | 107.1 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -36.8 | 176.6 | -74.8 | 178.3 | 179.7 | -174.9 | 0 | 113 | R268 R269 L270 S276 | R268-K272 WeakPolarHBondContact O-CG 3.46Å; R268-K272 PolarHBondContact O-N 3.37Å; R268-K272 VanDerWaalsContact O-N 3.11Å; R269-K272 PolarHBondContact O-N 3.39Å; L270-K272 PolarHBondContact O-N 2.9Å; K272-S276 WeakPolarHBondContact O-CB 3.29Å; K272-S276 PolarHBondContact O-N 3.45Å; K272-S276 VanDerWaalsContact O-N 3.09Å; K272-S276 PolarHBondContact O-OG 3.49Å |
| 273 | M | 82.1 | Confident | 84.7 | Confident | 117 Ų | 117 | 109.5 Ų | 109.5 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.3 | -36.5 | 174.8 | -71 | -151 | -71.6 | 0 | 0 | 112.1 | R269 L270 Q271 S276 I277 | R269-M273 WeakPolarHBondContact O-CG 3.2Å; R269-M273 PolarHBondContact O-N 3.21Å; R269-M273 VanDerWaalsContact O-N 3.08Å; L270-M273 PolarHBondContact O-N 3.45Å; Q271-M273 VanDerWaalsContact C-N 3.3Å; Q271-M273 PolarHBondContact O-N 2.94Å; M273-S276 PolarHBondContact O-OG 3.33Å; M273-I277 WeakPolarHBondContact O-CD1 3.29Å; M273-I277 WeakPolarHBondContact O-CG1 3.41Å; M273-I277 PolarHBondContact O-N 3.1Å; M273-I277 VanDerWaalsContact O-N 3.08Å |
| 274 | Q | 88.2 | Confident | 85.7 | Confident | 121 Ų | 121 | 109.3 Ų | 109.3 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 174.6 | -169.4 | 72.8 | 0.9 | 0 | 0 | 111.6 | L270 Q271 I277 S278 | L270-Q274 WeakPolarHBondContact O-CB 3.47Å; L270-Q274 PolarHBondContact O-N 3.33Å; Q271-Q274 WeakPolarHBondContact O-CB 3.3Å; Q271-Q274 PolarHBondContact O-N 2.84Å; Q271-Q274 VanDerWaalsContact O-N 3.13Å; Q274-I277 PolarHBondContact O-N 3.02Å; Q274-S278 PolarHBondContact O-N 3.31Å |
| 275 | D | 89.8 | Confident | 86.4 | Confident | 80 Ų | 80 | 110.6 Ų | 110.6 | 43% | 0.428 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 179.3 | -63.8 | -20.5 | 0 | 0 | 0 | 111.1 | Q271 S278 A279 | Q271-D275 PolarHBondContact NE2-OD1 2.93Å; Q271-D275 PolarHBondContact O-N 3.29Å; D275-S278 PolarHBondContact O-N 3.5Å; D275-S278 PolarHBondContact O-OG 2.94Å; D275-A279 WeakPolarHBondContact O-CB 3.43Å; D275-A279 PolarHBondContact O-N 2.94Å |
| 276 | S | 90.7 | Very high | 87 | Confident | 58 Ų | 58 | 110 Ų | 110 | 41% | 0.406 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.9 | 72.5 | 0 | 0 | 0 | 0 | 112.6 | K272 M273 S278 A279 L280 | K272-S276 WeakPolarHBondContact O-CB 3.29Å; K272-S276 PolarHBondContact O-N 3.45Å; K272-S276 VanDerWaalsContact O-N 3.09Å; K272-S276 PolarHBondContact O-OG 3.49Å; M273-S276 PolarHBondContact O-OG 3.33Å; S276-S278 VanDerWaalsContact C-N 3.33Å; S276-S278 PolarHBondContact O-N 2.92Å; S276-A279 PolarHBondContact O-N 3.21Å; S276-L280 WeakPolarHBondContact O-CB 3.47Å; S276-L280 WeakPolarHBondContact O-CG 3.35Å; S276-L280 PolarHBondContact O-N 3.3Å |
| 277 | I | 86.6 | Confident | 87.6 | Confident | 76 Ų | 76 | 108.2 Ų | 108.2 | 39% | 0.39 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 173.1 | -70 | 165.6 | 0 | 0 | 0 | 110.3 | M273 Q274 L280 R281 | M273-I277 WeakPolarHBondContact O-CD1 3.29Å; M273-I277 WeakPolarHBondContact O-CG1 3.41Å; M273-I277 PolarHBondContact O-N 3.1Å; M273-I277 VanDerWaalsContact O-N 3.08Å; Q274-I277 PolarHBondContact O-N 3.02Å; I277-L280 PolarHBondContact O-N 3.38Å; I277-R281 WeakPolarHBondContact O-CB 3.31Å; I277-R281 WeakPolarHBondContact O-CG 3.49Å; I277-R281 PolarHBondContact O-N 3.47Å |
| 278 | S | 90.4 | Very high | 88.3 | Confident | 69 Ų | 69 | 106.9 Ų | 106.9 | 48% | 0.483 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 178.5 | 79.7 | 0 | 0 | 0 | 0 | 112.4 | Q274 D275 S276 R281 S282 | Q274-S278 PolarHBondContact O-N 3.31Å; D275-S278 PolarHBondContact O-N 3.5Å; D275-S278 PolarHBondContact O-OG 2.94Å; S276-S278 VanDerWaalsContact C-N 3.33Å; S276-S278 PolarHBondContact O-N 2.92Å; S278-R281 PolarHBondContact O-N 3.29Å; S278-S282 PolarHBondContact O-N 2.9Å |
| 279 | A | 91.4 | Very high | 88.8 | Confident | 55 Ų | 55 | 106.8 Ų | 106.8 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D275 S276 S282 R283 | D275-A279 WeakPolarHBondContact O-CB 3.43Å; D275-A279 PolarHBondContact O-N 2.94Å; S276-A279 PolarHBondContact O-N 3.21Å; A279-S282 PolarHBondContact O-N 2.94Å; A279-R283 PolarHBondContact O-N 3.42Å |
| 280 | L | 88.9 | Confident | 89.3 | Confident | 112 Ų | 112 | 106.3 Ų | 106.3 | 59% | 0.586 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -39.8 | 176.2 | -72.4 | 172.1 | 0 | 0 | 0 | 111.9 | S276 I277 R283 L284 | S276-L280 WeakPolarHBondContact O-CB 3.47Å; S276-L280 WeakPolarHBondContact O-CG 3.35Å; S276-L280 PolarHBondContact O-N 3.3Å; I277-L280 PolarHBondContact O-N 3.38Å; L280-R283 PolarHBondContact O-N 3.24Å; L280-L284 WeakPolarHBondContact O-CB 3.22Å; L280-L284 PolarHBondContact O-N 3.09Å |
| 281 | R | 90.4 | Very high | 89.6 | Confident | 174 Ų | 174 | 104.4 Ų | 104.4 | 66% | 0.657 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 173.5 | -76 | 176.9 | 176 | 178 | 0.2 | 112.4 | I277 S278 L284 N285 | I277-R281 WeakPolarHBondContact O-CB 3.31Å; I277-R281 WeakPolarHBondContact O-CG 3.49Å; I277-R281 PolarHBondContact O-N 3.47Å; S278-R281 PolarHBondContact O-N 3.29Å; R281-L284 PolarHBondContact O-N 2.96Å; R281-N285 PolarHBondContact O-N 2.78Å |
| 282 | S | 90.2 | Very high | 90 | Very high | 80 Ų | 80 | 103.5 Ų | 103.5 | 56% | 0.559 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.2 | -48.3 | 175.5 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | S278 A279 L284 N285 S286 | S278-S282 PolarHBondContact O-N 2.9Å; A279-S282 PolarHBondContact O-N 2.94Å; S282-L284 PolarHBondContact O-N 2.83Å; S282-N285 PolarHBondContact O-N 3.35Å; S282-S286 PolarHBondContact O-N 3.4Å |
| 283 | R | 92.9 | Very high | 90.2 | Very high | 188 Ų | 188 | 97.7 Ų | 97.7 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -39.1 | 176.3 | -84.1 | -178.6 | 80.7 | -172.5 | 6.3 | 113.3 | A279 L280 S286 S287 | A279-R283 PolarHBondContact O-N 3.42Å; L280-R283 PolarHBondContact O-N 3.24Å; R283-S286 PolarHBondContact O-N 3.18Å; R283-S286 PolarHBondContact O-OG 3.38Å; R283-S287 VanDerWaalsContact O-CB 3.31Å; R283-S287 WeakPolarHBondContact O-CB 3.49Å; R283-S287 PolarHBondContact O-N 3.38Å |
| 284 | L | 90.4 | Very high | 90.6 | Very high | 115 Ų | 115 | 94.9 Ų | 94.9 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 176.4 | -173.3 | 72.6 | 0 | 0 | 0 | 110.6 | L280 R281 S282 S286 S287 Q288 | L280-L284 WeakPolarHBondContact O-CB 3.22Å; L280-L284 PolarHBondContact O-N 3.09Å; R281-L284 PolarHBondContact O-N 2.96Å; S282-L284 PolarHBondContact O-N 2.83Å; L284-S286 PolarHBondContact O-N 3.46Å; L284-S287 PolarHBondContact O-N 2.5Å; L284-Q288 VanDerWaalsContact O-CB 3.31Å; L284-Q288 WeakPolarHBondContact O-CB 3.36Å; L284-Q288 PolarHBondContact O-N 3.07Å |
| 285 | N | 92.3 | Very high | 90.8 | Very high | 102 Ų | 102 | 91 Ų | 91 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 177.8 | -92.5 | -6.9 | 0 | 0 | 0 | 113.1 | R281 S282 K289 | R281-N285 PolarHBondContact O-N 2.78Å; S282-N285 PolarHBondContact O-N 3.35Å; N285-K289 WeakPolarHBondContact O-CG 3.47Å; N285-K289 PolarHBondContact O-N 3.29Å |
| 286 | S | 90.8 | Very high | 90.9 | Very high | 55 Ų | 55 | 94.7 Ų | 94.7 | 39% | 0.385 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.4 | -46.3 | 176.9 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | S282 R283 L284 Q288 K289 E290 | S282-S286 PolarHBondContact O-N 3.4Å; R283-S286 PolarHBondContact O-N 3.18Å; R283-S286 PolarHBondContact O-OG 3.38Å; L284-S286 PolarHBondContact O-N 3.46Å; S286-Q288 VanDerWaalsContact C-N 3.31Å; S286-Q288 PolarHBondContact O-N 3.29Å; S286-K289 PolarHBondContact O-N 3.05Å; S286-E290 WeakPolarHBondContact O-CG 3.48Å; S286-E290 PolarHBondContact O-N 3.2Å |
| 287 | S | 90.5 | Very high | 91.1 | Very high | 69 Ų | 69 | 94 Ų | 94 | 48% | 0.483 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 112.4 | R283 L284 S291 | R283-S287 VanDerWaalsContact O-CB 3.31Å; R283-S287 WeakPolarHBondContact O-CB 3.49Å; R283-S287 PolarHBondContact O-N 3.38Å; L284-S287 PolarHBondContact O-N 2.5Å; S287-S291 WeakPolarHBondContact O-CB 3.5Å; S287-S291 PolarHBondContact O-N 3.4Å; S287-S291 PolarHBondContact O-OG 3.27Å |
| 288 | Q | 92.8 | Very high | 91.3 | Very high | 97 Ų | 97 | 96.5 Ų | 96.5 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 175.7 | -174.1 | 155.2 | -12.6 | 0 | 0 | 112.2 | L284 S286 E290 S291 E292 | L284-Q288 VanDerWaalsContact O-CB 3.31Å; L284-Q288 WeakPolarHBondContact O-CB 3.36Å; L284-Q288 PolarHBondContact O-N 3.07Å; S286-Q288 VanDerWaalsContact C-N 3.31Å; S286-Q288 PolarHBondContact O-N 3.29Å; Q288-E290 PolarHBondContact O-N 3.36Å; Q288-S291 PolarHBondContact O-N 3.14Å; Q288-S291 PolarHBondContact O-OG 3.16Å; Q288-S291 VanDerWaalsContact O-OG 3.04Å; Q288-E292 PolarHBondContact NE2-OE1 3.14Å; Q288-E292 WeakPolarHBondContact O-CB 3.42Å; Q288-E292 WeakPolarHBondContact O-CG 3.25Å; Q288-E292 PolarHBondContact O-N 2.85Å |
| 289 | K | 92.5 | Very high | 91.4 | Very high | 152 Ų | 152 | 100.3 Ų | 100.3 | 66% | 0.661 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.4 | -41.1 | 175 | -76.6 | 179.8 | 179.1 | -178 | 0 | 112.6 | N285 S286 G293 | N285-K289 WeakPolarHBondContact O-CG 3.47Å; N285-K289 PolarHBondContact O-N 3.29Å; S286-K289 PolarHBondContact O-N 3.05Å; K289-G293 PolarHBondContact O-N 3.41Å |
| 290 | E | 91.3 | Very high | 91.6 | Very high | 141 Ų | 141 | 100.3 Ų | 100.3 | 66% | 0.659 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -45.6 | 175.8 | -75.9 | 172.2 | -172.6 | 0 | 0 | 111.7 | S286 Q288 E292 G293 A294 | S286-E290 WeakPolarHBondContact O-CG 3.48Å; S286-E290 PolarHBondContact O-N 3.2Å; Q288-E290 PolarHBondContact O-N 3.36Å; E290-E292 PolarHBondContact O-N 2.89Å; E290-G293 PolarHBondContact O-N 2.9Å; E290-A294 WeakPolarHBondContact O-CB 3.37Å; E290-A294 PolarHBondContact O-N 3.34Å |
| 291 | S | 86.5 | Confident | 91.7 | Very high | 69 Ų | 69 | 97.4 Ų | 97.4 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 178.6 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | S287 Q288 A294 A295 | S287-S291 WeakPolarHBondContact O-CB 3.5Å; S287-S291 PolarHBondContact O-N 3.4Å; S287-S291 PolarHBondContact O-OG 3.27Å; Q288-S291 PolarHBondContact O-N 3.14Å; Q288-S291 PolarHBondContact O-OG 3.16Å; Q288-S291 VanDerWaalsContact O-OG 3.04Å; S291-A294 PolarHBondContact O-N 3.25Å; S291-A295 VanDerWaalsContact O-CB 3.23Å; S291-A295 WeakPolarHBondContact O-CB 3.33Å; S291-A295 PolarHBondContact O-N 3.17Å |
| 292 | E | 93.3 | Very high | 91.9 | Very high | 87 Ų | 87 | 97.6 Ų | 97.6 | 41% | 0.407 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.4 | -34.1 | 173.1 | -75.8 | 176.1 | -170.1 | 0 | 0 | 112.9 | Q288 E290 R296 | Q288-E292 PolarHBondContact NE2-OE1 3.14Å; Q288-E292 WeakPolarHBondContact O-CB 3.42Å; Q288-E292 WeakPolarHBondContact O-CG 3.25Å; Q288-E292 PolarHBondContact O-N 2.85Å; E290-E292 PolarHBondContact O-N 2.89Å; E292-R296 WeakPolarHBondContact O-CB 3.25Å; E292-R296 WeakPolarHBondContact O-CG 3.47Å; E292-R296 PolarHBondContact O-N 2.93Å; E292-R296 VanDerWaalsContact O-N 3.08Å; E292-R296 PolarHBondContact O-NE 2.93Å |
| 293 | G | 92.2 | Very high | 92.1 | Very high | 35 Ų | 35 | 99.9 Ų | 99.9 | 36% | 0.361 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -50.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K289 E290 A295 R296 G297 | K289-G293 PolarHBondContact O-N 3.41Å; E290-G293 PolarHBondContact O-N 2.9Å; G293-A295 PolarHBondContact O-N 2.8Å; G293-R296 PolarHBondContact O-N 3.07Å; G293-G297 PolarHBondContact O-N 2.87Å |
| 294 | A | 91.4 | Very high | 92.2 | Very high | 58 Ų | 58 | 96.6 Ų | 96.6 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | E290 S291 R296 G297 L298 | E290-A294 WeakPolarHBondContact O-CB 3.37Å; E290-A294 PolarHBondContact O-N 3.34Å; S291-A294 PolarHBondContact O-N 3.25Å; A294-R296 VanDerWaalsContact C-N 3.28Å; A294-R296 PolarHBondContact O-N 3.02Å; A294-G297 PolarHBondContact O-N 3.38Å; A294-L298 WeakPolarHBondContact O-CB 3.08Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 2.89Å |
| 295 | A | 90.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 95.5 Ų | 95.5 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -27.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S291 G293 R299 | S291-A295 VanDerWaalsContact O-CB 3.23Å; S291-A295 WeakPolarHBondContact O-CB 3.33Å; S291-A295 PolarHBondContact O-N 3.17Å; G293-A295 PolarHBondContact O-N 2.8Å; A295-R299 WeakPolarHBondContact O-CB 3.43Å; A295-R299 WeakPolarHBondContact O-CG 3.48Å; A295-R299 PolarHBondContact O-N 3.25Å; A295-R299 PolarHBondContact O-NE 3.47Å; A295-R299 VanDerWaalsContact O-NE 3.1Å |
| 296 | R | 93.8 | Very high | 92.5 | Very high | 157 Ų | 157 | 93.1 Ų | 93.1 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75 | -45.1 | 171 | -85.9 | -176.3 | -84.4 | 171.4 | -11.4 | 111.6 | E292 G293 A294 L298 R299 A300 | E292-R296 WeakPolarHBondContact O-CB 3.25Å; E292-R296 WeakPolarHBondContact O-CG 3.47Å; E292-R296 PolarHBondContact O-N 2.93Å; E292-R296 VanDerWaalsContact O-N 3.08Å; E292-R296 PolarHBondContact O-NE 2.93Å; G293-R296 PolarHBondContact O-N 3.07Å; A294-R296 VanDerWaalsContact C-N 3.28Å; A294-R296 PolarHBondContact O-N 3.02Å; R296-L298 PolarHBondContact O-N 3.31Å; R296-R299 PolarHBondContact O-N 2.89Å; R296-A300 PolarHBondContact O-N 2.82Å |
| 297 | G | 93.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 94.8 Ų | 94.8 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G293 A294 R299 A300 A301 | G293-G297 PolarHBondContact O-N 2.87Å; A294-G297 PolarHBondContact O-N 3.38Å; G297-R299 VanDerWaalsContact C-N 3.32Å; G297-R299 PolarHBondContact O-N 3.44Å; G297-A300 PolarHBondContact O-N 3.26Å; G297-A301 WeakPolarHBondContact O-CB 3.27Å; G297-A301 PolarHBondContact O-N 3.11Å |
| 298 | L | 91.1 | Very high | 93 | Very high | 130 Ų | 130 | 96 Ų | 96 | 68% | 0.681 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -35.9 | 176.5 | -73.2 | 171.3 | 0 | 0 | 0 | 112.8 | A294 R296 R302 | A294-L298 WeakPolarHBondContact O-CB 3.08Å; A294-L298 WeakPolarHBondContact O-CG 3.48Å; A294-L298 PolarHBondContact O-N 2.89Å; R296-L298 PolarHBondContact O-N 3.31Å; L298-R302 VanDerWaalsContact O-CB 3.31Å; L298-R302 WeakPolarHBondContact O-CB 3.47Å; L298-R302 PolarHBondContact O-N 2.77Å |
| 299 | R | 93.5 | Very high | 92.9 | Very high | 149 Ų | 149 | 94 Ų | 94 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.4 | -45.9 | 175 | -84.9 | -174.8 | -85.4 | -175.8 | -7.4 | 112 | A295 R296 G297 R302 E303 | A295-R299 WeakPolarHBondContact O-CB 3.43Å; A295-R299 WeakPolarHBondContact O-CG 3.48Å; A295-R299 PolarHBondContact O-N 3.25Å; A295-R299 PolarHBondContact O-NE 3.47Å; A295-R299 VanDerWaalsContact O-NE 3.1Å; R296-R299 PolarHBondContact O-N 2.89Å; G297-R299 VanDerWaalsContact C-N 3.32Å; G297-R299 PolarHBondContact O-N 3.44Å; R299-R302 PolarHBondContact O-N 2.89Å; R299-E303 WeakPolarHBondContact O-CG 3.49Å; R299-E303 PolarHBondContact O-N 3.5Å |
| 300 | A | 94.5 | Very high | 93.1 | Very high | 55 Ų | 55 | 95.2 Ų | 95.2 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R296 G297 R302 E303 E304 | R296-A300 PolarHBondContact O-N 2.82Å; G297-A300 PolarHBondContact O-N 3.26Å; A300-R302 VanDerWaalsContact C-N 3.34Å; A300-R302 PolarHBondContact O-N 3.4Å; A300-E303 PolarHBondContact O-N 3.07Å; A300-E304 PolarHBondContact O-N 2.85Å |
| 301 | A | 92.6 | Very high | 93.3 | Very high | 50 Ų | 50 | 93.5 Ų | 93.5 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G297 E304 V305 | G297-A301 WeakPolarHBondContact O-CB 3.27Å; G297-A301 PolarHBondContact O-N 3.11Å; A301-E304 PolarHBondContact O-N 3.29Å; A301-V305 WeakPolarHBondContact O-CG2 3.29Å; A301-V305 PolarHBondContact O-N 2.95Å |
| 302 | R | 94.5 | Very high | 93.6 | Very high | 178 Ų | 178 | 95.4 Ų | 95.4 | 67% | 0.672 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 174.6 | -174.9 | -172.9 | 121.1 | -178.7 | 0.1 | 111.4 | L298 R299 A300 V305 T306 | L298-R302 VanDerWaalsContact O-CB 3.31Å; L298-R302 WeakPolarHBondContact O-CB 3.47Å; L298-R302 PolarHBondContact O-N 2.77Å; R299-R302 PolarHBondContact O-N 2.89Å; A300-R302 VanDerWaalsContact C-N 3.34Å; A300-R302 PolarHBondContact O-N 3.4Å; R302-V305 PolarHBondContact O-N 3.22Å; R302-T306 HydrophobicContact CG-CG2 4.47Å; R302-T306 WeakPolarHBondContact O-CG2 3.47Å; R302-T306 PolarHBondContact O-N 3.32Å; R302-T306 PolarHBondContact O-OG1 3.34Å |
| 303 | E | 94.7 | Very high | 93.7 | Very high | 128 Ų | 128 | 99 Ų | 99 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 179.3 | -75.9 | 174.5 | -174.9 | 0 | 0 | 111.6 | R299 A300 T306 L307 | R299-E303 WeakPolarHBondContact O-CG 3.49Å; R299-E303 PolarHBondContact O-N 3.5Å; A300-E303 PolarHBondContact O-N 3.07Å; E303-T306 WeakPolarHBondContact CA-OG1 3.43Å; E303-T306 PolarHBondContact O-N 2.91Å; E303-T306 PolarHBondContact O-OG1 3.23Å; E303-L307 PolarHBondContact O-N 3.05Å |
| 304 | E | 95 | Very high | 93.8 | Very high | 120 Ų | 120 | 99 Ų | 99 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -48.8 | 176 | -171.7 | 172 | -171.8 | 0 | 0 | 112.1 | A300 A301 T306 L307 Q308 | A300-E304 PolarHBondContact O-N 2.85Å; A301-E304 PolarHBondContact O-N 3.29Å; E304-T306 VanDerWaalsContact C-N 3.3Å; E304-T306 PolarHBondContact O-N 3.14Å; E304-L307 WeakPolarHBondContact O-CB 3.38Å; E304-L307 PolarHBondContact O-N 3.08Å; E304-L307 VanDerWaalsContact O-N 3.11Å; E304-Q308 WeakPolarHBondContact O-CG 3.45Å; E304-Q308 PolarHBondContact O-N 3.47Å |
| 305 | V | 93.7 | Very high | 94 | Very high | 91 Ų | 91 | 102 Ų | 102 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -39.4 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111 | A301 R302 L307 Q308 A309 | A301-V305 WeakPolarHBondContact O-CG2 3.29Å; A301-V305 PolarHBondContact O-N 2.95Å; R302-V305 PolarHBondContact O-N 3.22Å; V305-L307 VanDerWaalsContact C-N 3.32Å; V305-L307 PolarHBondContact O-N 3.42Å; V305-Q308 PolarHBondContact O-N 3.25Å; V305-A309 WeakPolarHBondContact O-CB 3.12Å; V305-A309 PolarHBondContact O-N 3.07Å |
| 306 | T | 94.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 104.4 Ų | 104.4 | 33% | 0.325 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -33.5 | 176.5 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | R302 E303 E304 R310 | R302-T306 HydrophobicContact CG-CG2 4.47Å; R302-T306 WeakPolarHBondContact O-CG2 3.47Å; R302-T306 PolarHBondContact O-N 3.32Å; R302-T306 PolarHBondContact O-OG1 3.34Å; E303-T306 WeakPolarHBondContact CA-OG1 3.43Å; E303-T306 PolarHBondContact O-N 2.91Å; E303-T306 PolarHBondContact O-OG1 3.23Å; E304-T306 VanDerWaalsContact C-N 3.3Å; E304-T306 PolarHBondContact O-N 3.14Å; T306-R310 VanDerWaalsContact O-CG 3.32Å; T306-R310 WeakPolarHBondContact O-CG 3.35Å; T306-R310 PolarHBondContact O-N 2.97Å |
| 307 | L | 96.3 | Very high | 94.2 | Very high | 90 Ų | 90 | 100 Ų | 100 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -48.8 | 175 | -173.9 | 73.9 | 0 | 0 | 0 | 110.4 | E303 E304 V305 A309 R310 Q311 | E303-L307 PolarHBondContact O-N 3.05Å; E304-L307 WeakPolarHBondContact O-CB 3.38Å; E304-L307 PolarHBondContact O-N 3.08Å; E304-L307 VanDerWaalsContact O-N 3.11Å; V305-L307 VanDerWaalsContact C-N 3.32Å; V305-L307 PolarHBondContact O-N 3.42Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 2.89Å; L307-R310 PolarHBondContact O-N 3.3Å; L307-R310 VanDerWaalsContact O-N 3.15Å; L307-Q311 WeakPolarHBondContact O-CG 3.45Å; L307-Q311 PolarHBondContact O-N 3.47Å |
| 308 | Q | 94.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 106.5 Ų | 106.5 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 176.3 | -69.2 | 176.1 | 0.8 | 0 | 0 | 111.2 | E304 V305 R310 Q311 L312 | E304-Q308 WeakPolarHBondContact O-CG 3.45Å; E304-Q308 PolarHBondContact O-N 3.47Å; V305-Q308 PolarHBondContact O-N 3.25Å; Q308-R310 PolarHBondContact O-N 3.19Å; Q308-Q311 PolarHBondContact O-N 3.04Å; Q308-L312 WeakPolarHBondContact O-CB 3.35Å; Q308-L312 WeakPolarHBondContact O-CG 3.39Å; Q308-L312 PolarHBondContact O-N 3.43Å |
| 309 | A | 92.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 102.8 Ų | 102.8 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V305 L307 K313 | V305-A309 WeakPolarHBondContact O-CB 3.12Å; V305-A309 PolarHBondContact O-N 3.07Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 2.89Å; A309-K313 VanDerWaalsContact O-CB 3.29Å; A309-K313 WeakPolarHBondContact O-CB 3.29Å; A309-K313 PolarHBondContact O-N 2.92Å |
| 310 | R | 95 | Very high | 94.4 | Very high | 176 Ų | 176 | 103.9 Ų | 103.9 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -41.8 | 174.8 | -76 | 175.4 | -173.8 | 150.5 | 1.7 | 111.9 | T306 L307 Q308 K313 A314 | T306-R310 VanDerWaalsContact O-CG 3.32Å; T306-R310 WeakPolarHBondContact O-CG 3.35Å; T306-R310 PolarHBondContact O-N 2.97Å; L307-R310 PolarHBondContact O-N 3.3Å; L307-R310 VanDerWaalsContact O-N 3.15Å; Q308-R310 PolarHBondContact O-N 3.19Å; R310-K313 PolarHBondContact O-N 3.17Å; R310-A314 WeakPolarHBondContact O-CB 3.43Å; R310-A314 PolarHBondContact O-N 3.27Å |
| 311 | Q | 95.8 | Very high | 94.4 | Very high | 105 Ų | 105 | 105 Ų | 105 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 177.3 | -72.5 | 174.7 | -6.1 | 0 | 0 | 111.4 | L307 Q308 K313 A314 Q315 | L307-Q311 WeakPolarHBondContact O-CG 3.45Å; L307-Q311 PolarHBondContact O-N 3.47Å; Q308-Q311 PolarHBondContact O-N 3.04Å; Q311-K313 VanDerWaalsContact C-N 3.32Å; Q311-K313 PolarHBondContact O-N 3.34Å; Q311-A314 WeakPolarHBondContact O-CB 3.43Å; Q311-A314 PolarHBondContact O-N 2.58Å; Q311-A314 VanDerWaalsContact O-N 3.15Å; Q311-Q315 WeakPolarHBondContact O-CG 3.34Å; Q311-Q315 PolarHBondContact O-N 3.39Å |
| 312 | L | 93.7 | Very high | 94.5 | Very high | 110 Ų | 110 | 104.7 Ų | 104.7 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.6 | -42.4 | 174.9 | -78.7 | 164.7 | 0 | 0 | 0 | 111.7 | Q308 A314 Q315 L316 | Q308-L312 WeakPolarHBondContact O-CB 3.35Å; Q308-L312 WeakPolarHBondContact O-CG 3.39Å; Q308-L312 PolarHBondContact O-N 3.43Å; L312-A314 VanDerWaalsContact C-N 3.31Å; L312-A314 PolarHBondContact O-N 3.1Å; L312-Q315 PolarHBondContact O-N 3.24Å; L312-L316 WeakPolarHBondContact O-CB 3.39Å; L312-L316 PolarHBondContact O-N 2.74Å |
| 313 | K | 94.9 | Very high | 94.4 | Very high | 161 Ų | 161 | 101.9 Ų | 101.9 | 70% | 0.7 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | 176.6 | -166.8 | 172.2 | -175.6 | 176.4 | 0 | 112.3 | A309 R310 Q311 S317 | A309-K313 VanDerWaalsContact O-CB 3.29Å; A309-K313 WeakPolarHBondContact O-CB 3.29Å; A309-K313 PolarHBondContact O-N 2.92Å; R310-K313 PolarHBondContact O-N 3.17Å; Q311-K313 VanDerWaalsContact C-N 3.32Å; Q311-K313 PolarHBondContact O-N 3.34Å; K313-S317 PolarHBondContact O-N 2.95Å; K313-S317 PolarHBondContact O-OG 3.34Å |
| 314 | A | 95 | Very high | 94.4 | Very high | 37 Ų | 37 | 104.7 Ų | 104.7 | 31% | 0.306 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.2 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R310 Q311 L312 S317 R318 | R310-A314 WeakPolarHBondContact O-CB 3.43Å; R310-A314 PolarHBondContact O-N 3.27Å; Q311-A314 WeakPolarHBondContact O-CB 3.43Å; Q311-A314 PolarHBondContact O-N 2.58Å; Q311-A314 VanDerWaalsContact O-N 3.15Å; L312-A314 VanDerWaalsContact C-N 3.31Å; L312-A314 PolarHBondContact O-N 3.1Å; A314-S317 PolarHBondContact O-OG 3.2Å; A314-R318 WeakPolarHBondContact O-CB 3.3Å; A314-R318 VanDerWaalsContact O-CG 3.25Å; A314-R318 WeakPolarHBondContact O-CG 3.2Å; A314-R318 PolarHBondContact O-N 2.85Å; A314-R318 VanDerWaalsContact O-N 3.07Å |
| 315 | Q | 95.4 | Very high | 94.4 | Very high | 119 Ų | 119 | 103.4 Ų | 103.4 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 172.6 | -72.6 | 175.4 | -6.5 | 0 | 0 | 111 | Q311 L312 S317 R318 A319 | Q311-Q315 WeakPolarHBondContact O-CG 3.34Å; Q311-Q315 PolarHBondContact O-N 3.39Å; L312-Q315 PolarHBondContact O-N 3.24Å; Q315-S317 PolarHBondContact O-N 3.29Å; Q315-R318 PolarHBondContact O-N 3.49Å; Q315-A319 WeakPolarHBondContact O-CB 3.41Å; Q315-A319 PolarHBondContact O-N 3.05Å |
| 316 | L | 93.4 | Very high | 94.4 | Very high | 91 Ų | 91 | 104.6 Ų | 104.6 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177 | -170.2 | 77.7 | 0 | 0 | 0 | 111.9 | L312 A319 R320 | L312-L316 WeakPolarHBondContact O-CB 3.39Å; L312-L316 PolarHBondContact O-N 2.74Å; L316-A319 PolarHBondContact O-N 2.92Å; L316-R320 WeakPolarHBondContact O-CB 3.35Å; L316-R320 VanDerWaalsContact O-CG 3.3Å; L316-R320 WeakPolarHBondContact O-CG 3.31Å; L316-R320 PolarHBondContact O-N 2.96Å |
| 317 | S | 94.8 | Very high | 94.4 | Very high | 63 Ų | 63 | 107.4 Ų | 107.4 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 177.2 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | K313 A314 Q315 R320 T321 | K313-S317 PolarHBondContact O-N 2.95Å; K313-S317 PolarHBondContact O-OG 3.34Å; A314-S317 PolarHBondContact O-OG 3.2Å; Q315-S317 PolarHBondContact O-N 3.29Å; S317-R320 PolarHBondContact O-N 3.46Å; S317-T321 WeakPolarHBondContact O-CG2 3.47Å; S317-T321 PolarHBondContact O-N 2.86Å; S317-T321 PolarHBondContact O-OG1 3Å |
| 318 | R | 95.7 | Very high | 94.4 | Very high | 180 Ų | 180 | 106.1 Ų | 106.1 | 68% | 0.679 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.4 | -47.2 | 174.6 | -72.5 | 172.1 | -172.4 | 177.9 | 2.7 | 111.9 | A314 Q315 T321 A322 | A314-R318 WeakPolarHBondContact O-CB 3.3Å; A314-R318 VanDerWaalsContact O-CG 3.25Å; A314-R318 WeakPolarHBondContact O-CG 3.2Å; A314-R318 PolarHBondContact O-N 2.85Å; A314-R318 VanDerWaalsContact O-N 3.07Å; Q315-R318 PolarHBondContact O-N 3.49Å; R318-T321 WeakPolarHBondContact CA-OG1 3.36Å; R318-T321 PolarHBondContact O-N 3.38Å; R318-T321 PolarHBondContact O-OG1 3.43Å; R318-A322 WeakPolarHBondContact O-CB 3.46Å; R318-A322 PolarHBondContact O-N 2.92Å |
| 319 | A | 93 | Very high | 94.4 | Very high | 53 Ų | 53 | 106 Ų | 106 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q315 L316 T321 A322 E323 | Q315-A319 WeakPolarHBondContact O-CB 3.41Å; Q315-A319 PolarHBondContact O-N 3.05Å; L316-A319 PolarHBondContact O-N 2.92Å; A319-T321 VanDerWaalsContact C-N 3.31Å; A319-T321 PolarHBondContact O-N 3.42Å; A319-A322 PolarHBondContact O-N 3.46Å; A319-A322 VanDerWaalsContact O-N 3.13Å; A319-E323 WeakPolarHBondContact O-CG 3.42Å; A319-E323 PolarHBondContact O-N 3.28Å |
| 320 | R | 93.3 | Very high | 94.6 | Very high | 172 Ų | 172 | 108.8 Ų | 108.8 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.9 | -40.1 | 175.9 | -75.7 | 177.4 | 179 | -172.5 | -0.3 | 112.8 | L316 S317 R324 | L316-R320 WeakPolarHBondContact O-CB 3.35Å; L316-R320 VanDerWaalsContact O-CG 3.3Å; L316-R320 WeakPolarHBondContact O-CG 3.31Å; L316-R320 PolarHBondContact O-N 2.96Å; S317-R320 PolarHBondContact O-N 3.46Å; R320-R324 VanDerWaalsContact O-CB 3.24Å; R320-R324 WeakPolarHBondContact O-CB 3.36Å; R320-R324 PolarHBondContact O-N 2.83Å |
| 321 | T | 94.9 | Very high | 94.6 | Very high | 78 Ų | 78 | 103.1 Ų | 103.1 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 176 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | S317 R318 A319 R324 N325 | S317-T321 WeakPolarHBondContact O-CG2 3.47Å; S317-T321 PolarHBondContact O-N 2.86Å; S317-T321 PolarHBondContact O-OG1 3Å; R318-T321 WeakPolarHBondContact CA-OG1 3.36Å; R318-T321 PolarHBondContact O-N 3.38Å; R318-T321 PolarHBondContact O-OG1 3.43Å; A319-T321 VanDerWaalsContact C-N 3.31Å; A319-T321 PolarHBondContact O-N 3.42Å; T321-R324 PolarHBondContact O-N 2.84Å; T321-N325 WeakPolarHBondContact O-CB 3.39Å; T321-N325 PolarHBondContact O-N 3.24Å; T321-N325 PolarHBondContact O-ND2 2.9Å; T321-N325 PolarHBondContact O-OD1 2.82Å |
| 322 | A | 94.6 | Very high | 94.6 | Very high | 43 Ų | 43 | 102.6 Ų | 102.6 | 36% | 0.355 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -49 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R318 A319 R324 N325 Q326 | R318-A322 WeakPolarHBondContact O-CB 3.46Å; R318-A322 PolarHBondContact O-N 2.92Å; A319-A322 PolarHBondContact O-N 3.46Å; A319-A322 VanDerWaalsContact O-N 3.13Å; A322-R324 VanDerWaalsContact C-N 3.33Å; A322-R324 PolarHBondContact O-N 3.5Å; A322-N325 WeakPolarHBondContact O-CB 3.44Å; A322-N325 PolarHBondContact O-N 3.07Å; A322-N325 VanDerWaalsContact O-N 3.16Å; A322-Q326 WeakPolarHBondContact O-CG 3.17Å; A322-Q326 PolarHBondContact O-N 3.44Å |
| 323 | E | 92.3 | Very high | 94.7 | Very high | 120 Ų | 120 | 103.7 Ų | 103.7 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 175.6 | -70.7 | -57.7 | 145.4 | 0 | 0 | 111.8 | A319 N325 Q326 L327 | A319-E323 WeakPolarHBondContact O-CG 3.42Å; A319-E323 PolarHBondContact O-N 3.28Å; E323-N325 VanDerWaalsContact C-N 3.31Å; E323-N325 PolarHBondContact O-N 3.44Å; E323-Q326 PolarHBondContact O-N 3.24Å; E323-L327 WeakPolarHBondContact O-CB 3.31Å; E323-L327 PolarHBondContact O-N 3.13Å |
| 324 | R | 94.6 | Very high | 94.6 | Very high | 186 Ų | 186 | 98.9 Ų | 98.9 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -41.4 | 176.3 | -168.4 | 174.7 | 178.8 | 91.2 | -0.7 | 111.5 | R320 T321 A322 L327 T328 | R320-R324 VanDerWaalsContact O-CB 3.24Å; R320-R324 WeakPolarHBondContact O-CB 3.36Å; R320-R324 PolarHBondContact O-N 2.83Å; T321-R324 PolarHBondContact O-N 2.84Å; A322-R324 VanDerWaalsContact C-N 3.33Å; A322-R324 PolarHBondContact O-N 3.5Å; R324-L327 PolarHBondContact O-N 3.45Å; R324-T328 WeakPolarHBondContact O-CG2 3.14Å; R324-T328 PolarHBondContact O-N 3.43Å; R324-T328 PolarHBondContact O-OG1 2.85Å |
| 325 | N | 94.9 | Very high | 94.6 | Very high | 94 Ų | 94 | 101.7 Ų | 101.7 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.7 | -70.2 | -12.6 | 0 | 0 | 0 | 112.1 | T321 A322 E323 T328 N329 | T321-N325 WeakPolarHBondContact O-CB 3.39Å; T321-N325 PolarHBondContact O-N 3.24Å; T321-N325 PolarHBondContact O-ND2 2.9Å; T321-N325 PolarHBondContact O-OD1 2.82Å; A322-N325 WeakPolarHBondContact O-CB 3.44Å; A322-N325 PolarHBondContact O-N 3.07Å; A322-N325 VanDerWaalsContact O-N 3.16Å; E323-N325 VanDerWaalsContact C-N 3.31Å; E323-N325 PolarHBondContact O-N 3.44Å; N325-T328 VanDerWaalsContact CA-OG1 3.29Å; N325-T328 WeakPolarHBondContact CA-OG1 3.48Å; N325-T328 PolarHBondContact O-N 3.17Å; N325-T328 PolarHBondContact O-OG1 3Å; N325-N329 WeakPolarHBondContact O-CB 3.32Å; N325-N329 PolarHBondContact O-N 2.93Å; N325-N329 PolarHBondContact O-ND2 2.81Å; N325-N329 PolarHBondContact O-OD1 2.94Å |
| 326 | Q | 94.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 175 | -73.2 | -178.7 | 7.2 | 0 | 0 | 111.1 | A322 E323 T328 N329 L330 | A322-Q326 WeakPolarHBondContact O-CG 3.17Å; A322-Q326 PolarHBondContact O-N 3.44Å; E323-Q326 PolarHBondContact O-N 3.24Å; Q326-T328 PolarHBondContact O-N 3.3Å; Q326-N329 PolarHBondContact O-N 3.32Å; Q326-L330 WeakPolarHBondContact O-CB 3.27Å; Q326-L330 PolarHBondContact O-N 3.29Å |
| 327 | L | 94.3 | Very high | 94.7 | Very high | 111 Ų | 111 | 96 Ų | 96 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -42.6 | 176.1 | -174.5 | 66.8 | 0 | 0 | 0 | 111.8 | E323 R324 L330 T331 | E323-L327 WeakPolarHBondContact O-CB 3.31Å; E323-L327 PolarHBondContact O-N 3.13Å; R324-L327 PolarHBondContact O-N 3.45Å; L327-L330 PolarHBondContact O-N 2.95Å; L327-T331 HydrophobicContact CD1-CG2 4.44Å; L327-T331 WeakPolarHBondContact O-CB 3.2Å; L327-T331 VanDerWaalsContact O-CG2 3.29Å; L327-T331 WeakPolarHBondContact O-CG2 3.48Å; L327-T331 PolarHBondContact O-N 3.19Å; L327-T331 PolarHBondContact O-OG1 3.09Å |
| 328 | T | 95.8 | Very high | 94.7 | Very high | 63 Ų | 63 | 95.6 Ų | 95.6 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.7 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | R324 N325 Q326 T331 V332 | R324-T328 WeakPolarHBondContact O-CG2 3.14Å; R324-T328 PolarHBondContact O-N 3.43Å; R324-T328 PolarHBondContact O-OG1 2.85Å; N325-T328 VanDerWaalsContact CA-OG1 3.29Å; N325-T328 WeakPolarHBondContact CA-OG1 3.48Å; N325-T328 PolarHBondContact O-N 3.17Å; N325-T328 PolarHBondContact O-OG1 3Å; Q326-T328 PolarHBondContact O-N 3.3Å; T328-T331 WeakPolarHBondContact CA-OG1 3.26Å; T328-T331 PolarHBondContact O-N 3.48Å; T328-T331 PolarHBondContact O-OG1 3.28Å; T328-V332 WeakPolarHBondContact O-CB 3.47Å; T328-V332 VanDerWaalsContact O-CG2 3.23Å; T328-V332 WeakPolarHBondContact O-CG2 3.4Å; T328-V332 PolarHBondContact O-N 2.87Å |
| 329 | N | 95.6 | Very high | 94.7 | Very high | 92 Ų | 92 | 94.6 Ų | 94.6 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 177.8 | -69.8 | -9.4 | 0 | 0 | 0 | 111 | N325 Q326 T331 V332 H333 | N325-N329 WeakPolarHBondContact O-CB 3.32Å; N325-N329 PolarHBondContact O-N 2.93Å; N325-N329 PolarHBondContact O-ND2 2.81Å; N325-N329 PolarHBondContact O-OD1 2.94Å; Q326-N329 PolarHBondContact O-N 3.32Å; N329-T331 VanDerWaalsContact C-N 3.34Å; N329-T331 PolarHBondContact O-N 3.28Å; N329-V332 PolarHBondContact O-N 2.66Å; N329-H333 WeakPolarHBondContact O-CB 3.43Å; N329-H333 PolarHBondContact O-CD2 3.34Å; N329-H333 PolarHBondContact O-N 2.77Å |
| 330 | L | 95.1 | Very high | 94.8 | Very high | 115 Ų | 115 | 97.5 Ų | 97.5 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 179.2 | -173.4 | 136.9 | 0 | 0 | 0 | 111.7 | Q326 L327 S334 | Q326-L330 WeakPolarHBondContact O-CB 3.27Å; Q326-L330 PolarHBondContact O-N 3.29Å; L327-L330 PolarHBondContact O-N 2.95Å; L330-S334 VanDerWaalsContact O-CB 3.23Å; L330-S334 WeakPolarHBondContact O-CB 3.39Å; L330-S334 PolarHBondContact O-N 3.06Å; L330-S334 PolarHBondContact O-OG 2.93Å; L330-S334 VanDerWaalsContact O-OG 3.06Å |
| 331 | T | 95.4 | Very high | 94.8 | Very high | 56 Ų | 56 | 94.5 Ų | 94.5 | 34% | 0.344 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 176.4 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | L327 T328 N329 S334 N335 | L327-T331 HydrophobicContact CD1-CG2 4.44Å; L327-T331 WeakPolarHBondContact O-CB 3.2Å; L327-T331 VanDerWaalsContact O-CG2 3.29Å; L327-T331 WeakPolarHBondContact O-CG2 3.48Å; L327-T331 PolarHBondContact O-N 3.19Å; L327-T331 PolarHBondContact O-OG1 3.09Å; T328-T331 WeakPolarHBondContact CA-OG1 3.26Å; T328-T331 PolarHBondContact O-N 3.48Å; T328-T331 PolarHBondContact O-OG1 3.28Å; N329-T331 VanDerWaalsContact C-N 3.34Å; N329-T331 PolarHBondContact O-N 3.28Å; T331-S334 PolarHBondContact O-OG 3.38Å; T331-N335 WeakPolarHBondContact O-CB 3.46Å; T331-N335 PolarHBondContact O-N 3.3Å; T331-N335 PolarHBondContact O-ND2 3.07Å |
| 332 | V | 96.5 | Very high | 94.8 | Very high | 94 Ų | 94 | 96.1 Ų | 96.1 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -47.4 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | T328 N329 N335 A336 | T328-V332 WeakPolarHBondContact O-CB 3.47Å; T328-V332 VanDerWaalsContact O-CG2 3.23Å; T328-V332 WeakPolarHBondContact O-CG2 3.4Å; T328-V332 PolarHBondContact O-N 2.87Å; N329-V332 PolarHBondContact O-N 2.66Å; V332-N335 PolarHBondContact O-N 3.24Å; V332-A336 WeakPolarHBondContact O-CB 3.38Å; V332-A336 PolarHBondContact O-N 3.46Å |
| 333 | H | 95.1 | Very high | 94.9 | Very high | 133 Ų | 133 | 95.4 Ų | 95.4 | 62% | 0.616 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.3 | -42.1 | 179.3 | -69.7 | -55.2 | 0 | 0 | 0 | 112.2 | N329 A336 A337 | N329-H333 WeakPolarHBondContact O-CB 3.43Å; N329-H333 PolarHBondContact O-CD2 3.34Å; N329-H333 PolarHBondContact O-N 2.77Å; H333-A336 PolarHBondContact O-N 3.48Å; H333-A337 WeakPolarHBondContact O-CB 3.36Å; H333-A337 PolarHBondContact O-N 3.46Å |
| 334 | S | 93.6 | Very high | 95 | Very high | 61 Ų | 61 | 95 Ų | 95 | 43% | 0.427 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.3 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | L330 T331 A336 A337 A338 | L330-S334 VanDerWaalsContact O-CB 3.23Å; L330-S334 WeakPolarHBondContact O-CB 3.39Å; L330-S334 PolarHBondContact O-N 3.06Å; L330-S334 PolarHBondContact O-OG 2.93Å; L330-S334 VanDerWaalsContact O-OG 3.06Å; T331-S334 PolarHBondContact O-OG 3.38Å; S334-A336 PolarHBondContact O-N 3.31Å; S334-A337 PolarHBondContact O-N 3.11Å; S334-A338 VanDerWaalsContact O-CB 3.29Å; S334-A338 WeakPolarHBondContact O-CB 3.44Å; S334-A338 PolarHBondContact O-N 2.94Å |
| 335 | N | 94.4 | Very high | 95 | Very high | 95 Ų | 95 | 90.1 Ų | 90.1 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 175.7 | -77.7 | -42.7 | 0 | 0 | 0 | 112.4 | T331 V332 K339 | T331-N335 WeakPolarHBondContact O-CB 3.46Å; T331-N335 PolarHBondContact O-N 3.3Å; T331-N335 PolarHBondContact O-ND2 3.07Å; V332-N335 PolarHBondContact O-N 3.24Å; N335-K339 WeakPolarHBondContact O-CB 3.23Å; N335-K339 VanDerWaalsContact O-CG 3.3Å; N335-K339 WeakPolarHBondContact O-CG 3.29Å; N335-K339 PolarHBondContact O-N 3.42Å |
| 336 | A | 96 | Very high | 95 | Very high | 42 Ų | 42 | 88.9 Ų | 88.9 | 35% | 0.347 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V332 H333 S334 K339 N340 | V332-A336 WeakPolarHBondContact O-CB 3.38Å; V332-A336 PolarHBondContact O-N 3.46Å; H333-A336 PolarHBondContact O-N 3.48Å; S334-A336 PolarHBondContact O-N 3.31Å; A336-K339 PolarHBondContact O-N 3.4Å; A336-N340 WeakPolarHBondContact O-CB 3.27Å; A336-N340 VanDerWaalsContact O-CG 3.27Å; A336-N340 PolarHBondContact O-N 3.05Å; A336-N340 PolarHBondContact O-ND2 3.45Å |
| 337 | A | 95 | Very high | 95.1 | Very high | 48 Ų | 48 | 91 Ų | 91 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H333 S334 K339 N340 L341 | H333-A337 WeakPolarHBondContact O-CB 3.36Å; H333-A337 PolarHBondContact O-N 3.46Å; S334-A337 PolarHBondContact O-N 3.11Å; A337-K339 PolarHBondContact O-N 3.14Å; A337-N340 PolarHBondContact O-N 2.69Å; A337-L341 WeakPolarHBondContact O-CG 3.38Å; A337-L341 PolarHBondContact O-N 3.49Å |
| 338 | A | 94.3 | Very high | 95 | Very high | 55 Ų | 55 | 87.3 Ų | 87.3 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | S334 N340 L341 Q342 | S334-A338 VanDerWaalsContact O-CB 3.29Å; S334-A338 WeakPolarHBondContact O-CB 3.44Å; S334-A338 PolarHBondContact O-N 2.94Å; A338-N340 PolarHBondContact O-N 3.32Å; A338-L341 PolarHBondContact O-N 3.39Å; A338-Q342 WeakPolarHBondContact O-CB 3.49Å; A338-Q342 PolarHBondContact O-N 3.06Å |
| 339 | K | 95.8 | Very high | 94.9 | Very high | 159 Ų | 159 | 88.6 Ų | 88.6 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | 175 | -76.5 | 177.5 | -178.5 | -178.9 | 0 | 112.3 | N335 A336 A337 Q342 G343 | N335-K339 WeakPolarHBondContact O-CB 3.23Å; N335-K339 VanDerWaalsContact O-CG 3.3Å; N335-K339 WeakPolarHBondContact O-CG 3.29Å; N335-K339 PolarHBondContact O-N 3.42Å; A336-K339 PolarHBondContact O-N 3.4Å; A337-K339 PolarHBondContact O-N 3.14Å; K339-Q342 PolarHBondContact O-N 3.49Å; K339-G343 PolarHBondContact O-N 2.92Å |
| 340 | N | 96.2 | Very high | 94.9 | Very high | 115 Ų | 115 | 92.9 Ų | 92.9 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 177 | -72.9 | -16.9 | 0 | 0 | 0 | 111.4 | A336 A337 A338 Q342 G343 I344 | A336-N340 WeakPolarHBondContact O-CB 3.27Å; A336-N340 VanDerWaalsContact O-CG 3.27Å; A336-N340 PolarHBondContact O-N 3.05Å; A336-N340 PolarHBondContact O-ND2 3.45Å; A337-N340 PolarHBondContact O-N 2.69Å; A338-N340 PolarHBondContact O-N 3.32Å; N340-Q342 PolarHBondContact O-N 3.21Å; N340-G343 CarbonylContact O-C 3.6Å; N340-G343 WeakPolarHBondContact O-CA 3.23Å; N340-G343 PolarHBondContact O-N 3.34Å; N340-G343 VanDerWaalsContact O-N 3.12Å; N340-I344 WeakPolarHBondContact O-CG1 3.48Å; N340-I344 PolarHBondContact O-N 2.82Å |
| 341 | L | 92.9 | Very high | 94.8 | Very high | 109 Ų | 109 | 93.1 Ų | 93.1 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 176.2 | -69.6 | 172.3 | 0 | 0 | 0 | 111.5 | A337 A338 G343 I344 I345 | A337-L341 WeakPolarHBondContact O-CG 3.38Å; A337-L341 PolarHBondContact O-N 3.49Å; A338-L341 PolarHBondContact O-N 3.39Å; L341-G343 VanDerWaalsContact C-N 3.27Å; L341-G343 PolarHBondContact O-N 2.86Å; L341-I344 HydrophobicContact CD2-CD1 4.49Å; L341-I344 WeakPolarHBondContact O-CB 3.42Å; L341-I344 PolarHBondContact O-N 2.69Å; L341-I344 VanDerWaalsContact O-N 3.08Å; L341-I345 WeakPolarHBondContact O-CG1 3.45Å; L341-I345 PolarHBondContact O-N 3.42Å |
| 342 | Q | 94.8 | Very high | 94.7 | Very high | 111 Ų | 111 | 95.9 Ų | 95.9 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -37.4 | 173.5 | -162.9 | 65.5 | 26.7 | 0 | 0 | 111.8 | A338 K339 N340 I344 I345 T346 | A338-Q342 WeakPolarHBondContact O-CB 3.49Å; A338-Q342 PolarHBondContact O-N 3.06Å; K339-Q342 PolarHBondContact O-N 3.49Å; N340-Q342 PolarHBondContact O-N 3.21Å; Q342-I344 VanDerWaalsContact C-N 3.34Å; Q342-I345 PolarHBondContact O-N 2.93Å; Q342-T346 WeakPolarHBondContact O-CG2 3.4Å; Q342-T346 PolarHBondContact O-N 3.01Å; Q342-T346 PolarHBondContact O-OG1 3.29Å |
| 343 | G | 96.4 | Very high | 94.5 | Very high | 28 Ų | 28 | 99.1 Ų | 99.1 | 29% | 0.289 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K339 N340 L341 T346 K347 | K339-G343 PolarHBondContact O-N 2.92Å; N340-G343 CarbonylContact O-C 3.6Å; N340-G343 WeakPolarHBondContact O-CA 3.23Å; N340-G343 PolarHBondContact O-N 3.34Å; N340-G343 VanDerWaalsContact O-N 3.12Å; L341-G343 VanDerWaalsContact C-N 3.27Å; L341-G343 PolarHBondContact O-N 2.86Å; G343-T346 WeakPolarHBondContact CA-OG1 3.29Å; G343-T346 PolarHBondContact O-OG1 3.35Å; G343-K347 VanDerWaalsContact O-CG 3.31Å; G343-K347 WeakPolarHBondContact O-CG 3.47Å; G343-K347 PolarHBondContact O-N 2.91Å; G343-K347 VanDerWaalsContact O-N 3.17Å |
| 344 | I | 95.1 | Very high | 94.4 | Very high | 112 Ų | 112 | 96.7 Ų | 96.7 | 57% | 0.574 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69 | -44.2 | 175.1 | -65.7 | 167.4 | 0 | 0 | 0 | 110.5 | N340 L341 Q342 T346 K347 G348 | N340-I344 WeakPolarHBondContact O-CG1 3.48Å; N340-I344 PolarHBondContact O-N 2.82Å; L341-I344 HydrophobicContact CD2-CD1 4.49Å; L341-I344 WeakPolarHBondContact O-CB 3.42Å; L341-I344 PolarHBondContact O-N 2.69Å; L341-I344 VanDerWaalsContact O-N 3.08Å; Q342-I344 VanDerWaalsContact C-N 3.34Å; I344-T346 PolarHBondContact O-N 3.06Å; I344-K347 PolarHBondContact O-N 3.18Å; I344-G348 PolarHBondContact O-N 3.48Å |
| 345 | I | 93.7 | Very high | 94.1 | Very high | 83 Ų | 83 | 96.1 Ų | 96.1 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 177.4 | -67.8 | 167 | 0 | 0 | 0 | 110.3 | L341 Q342 K347 G348 E349 | L341-I345 WeakPolarHBondContact O-CG1 3.45Å; L341-I345 PolarHBondContact O-N 3.42Å; Q342-I345 PolarHBondContact O-N 2.93Å; I345-K347 VanDerWaalsContact C-N 3.31Å; I345-K347 PolarHBondContact O-N 3.01Å; I345-G348 CarbonylContact O-C 3.58Å; I345-G348 WeakPolarHBondContact O-CA 3.47Å; I345-G348 PolarHBondContact O-N 2.9Å; I345-E349 HydrophobicContact CG2-CG 4.29Å; I345-E349 WeakPolarHBondContact O-CG 3.22Å; I345-E349 PolarHBondContact O-N 2.99Å |
| 346 | T | 95.2 | Very high | 93.9 | Very high | 69 Ų | 69 | 98 Ų | 98 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -36.4 | 179.3 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | Q342 G343 I344 R350 | Q342-T346 WeakPolarHBondContact O-CG2 3.4Å; Q342-T346 PolarHBondContact O-N 3.01Å; Q342-T346 PolarHBondContact O-OG1 3.29Å; G343-T346 WeakPolarHBondContact CA-OG1 3.29Å; G343-T346 PolarHBondContact O-OG1 3.35Å; I344-T346 PolarHBondContact O-N 3.06Å; T346-R350 WeakPolarHBondContact O-CB 3.37Å; T346-R350 PolarHBondContact O-N 3.42Å |
| 347 | K | 95.6 | Very high | 93.7 | Very high | 160 Ų | 160 | 101 Ų | 101 | 70% | 0.696 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -43.9 | 171.2 | -73.6 | 174.8 | -177.7 | -178.7 | 0 | 111.7 | G343 I344 I345 R350 L351 | G343-K347 VanDerWaalsContact O-CG 3.31Å; G343-K347 WeakPolarHBondContact O-CG 3.47Å; G343-K347 PolarHBondContact O-N 2.91Å; G343-K347 VanDerWaalsContact O-N 3.17Å; I344-K347 PolarHBondContact O-N 3.18Å; I345-K347 VanDerWaalsContact C-N 3.31Å; I345-K347 PolarHBondContact O-N 3.01Å; K347-R350 PolarHBondContact O-N 3.47Å; K347-L351 PolarHBondContact O-N 3.43Å |
| 348 | G | 93.3 | Very high | 93.4 | Very high | 34 Ų | 34 | 102 Ų | 102 | 35% | 0.351 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I344 I345 R350 L351 L352 | I344-G348 PolarHBondContact O-N 3.48Å; I345-G348 CarbonylContact O-C 3.58Å; I345-G348 WeakPolarHBondContact O-CA 3.47Å; I345-G348 PolarHBondContact O-N 2.9Å; G348-R350 VanDerWaalsContact C-N 3.32Å; G348-R350 PolarHBondContact O-N 2.83Å; G348-L351 WeakPolarHBondContact O-CB 3.39Å; G348-L351 PolarHBondContact O-N 3.43Å; G348-L351 VanDerWaalsContact O-N 3.14Å; G348-L352 WeakPolarHBondContact O-CG 3.32Å; G348-L352 PolarHBondContact O-N 2.91Å |
| 349 | E | 93.3 | Very high | 93 | Very high | 89 Ų | 89 | 106 Ų | 106 | 42% | 0.416 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 174.9 | -73.1 | 179 | 179.5 | 0 | 0 | 111.9 | I345 L351 L352 R353 | I345-E349 HydrophobicContact CG2-CG 4.29Å; I345-E349 WeakPolarHBondContact O-CG 3.22Å; I345-E349 PolarHBondContact O-N 2.99Å; E349-L351 VanDerWaalsContact C-N 3.33Å; E349-L351 PolarHBondContact O-N 3.36Å; E349-L352 PolarHBondContact O-N 3.1Å; E349-R353 WeakPolarHBondContact O-CB 3.27Å; E349-R353 VanDerWaalsContact O-CG 3.31Å; E349-R353 WeakPolarHBondContact O-CG 3.29Å; E349-R353 PolarHBondContact O-N 3.28Å |
| 350 | R | 95 | Very high | 92.7 | Very high | 183 Ų | 183 | 106 Ų | 106 | 69% | 0.691 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 175.7 | -174.4 | 176.5 | 179.8 | 177.6 | -0.4 | 111.4 | T346 K347 G348 R353 L354 | T346-R350 WeakPolarHBondContact O-CB 3.37Å; T346-R350 PolarHBondContact O-N 3.42Å; K347-R350 PolarHBondContact O-N 3.47Å; G348-R350 VanDerWaalsContact C-N 3.32Å; G348-R350 PolarHBondContact O-N 2.83Å; R350-R353 PolarHBondContact O-N 2.99Å; R350-L354 HydrophobicContact CG-CD1 4.19Å; R350-L354 WeakPolarHBondContact O-CB 3.46Å; R350-L354 VanDerWaalsContact O-CG 3.3Å; R350-L354 WeakPolarHBondContact O-CG 3.42Å; R350-L354 PolarHBondContact O-N 2.83Å |
| 351 | L | 93.7 | Very high | 92.2 | Very high | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 177.5 | -166.2 | 154.6 | 0 | 0 | 0 | 111 | K347 G348 E349 L354 A355 | K347-L351 PolarHBondContact O-N 3.43Å; G348-L351 WeakPolarHBondContact O-CB 3.39Å; G348-L351 PolarHBondContact O-N 3.43Å; G348-L351 VanDerWaalsContact O-N 3.14Å; E349-L351 VanDerWaalsContact C-N 3.33Å; E349-L351 PolarHBondContact O-N 3.36Å; L351-L354 PolarHBondContact O-N 3.28Å; L351-A355 WeakPolarHBondContact O-CB 3.18Å; L351-A355 PolarHBondContact O-N 3.16Å |
| 352 | L | 92.4 | Very high | 91.9 | Very high | 115 Ų | 115 | 103.8 Ų | 103.8 | 60% | 0.602 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 175.6 | -70.3 | 175.9 | 0 | 0 | 0 | 112.1 | G348 E349 L354 A355 E356 | G348-L352 WeakPolarHBondContact O-CG 3.32Å; G348-L352 PolarHBondContact O-N 2.91Å; E349-L352 PolarHBondContact O-N 3.1Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 2.92Å; L352-A355 PolarHBondContact O-N 3.42Å; L352-E356 PolarHBondContact O-N 2.91Å |
| 353 | R | 93.4 | Very high | 91.4 | Very high | 161 Ų | 161 | 102 Ų | 102 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 175.7 | -71.8 | 178 | -169.9 | -173.6 | 7 | 112 | E349 R350 E356 M357 | E349-R353 WeakPolarHBondContact O-CB 3.27Å; E349-R353 VanDerWaalsContact O-CG 3.31Å; E349-R353 WeakPolarHBondContact O-CG 3.29Å; E349-R353 PolarHBondContact O-N 3.28Å; R350-R353 PolarHBondContact O-N 2.99Å; R353-E356 PolarHBondContact O-N 3.45Å; R353-M357 WeakPolarHBondContact O-CG 3.25Å; R353-M357 PolarHBondContact O-N 3.44Å |
| 354 | L | 92.9 | Very high | 90.7 | Very high | 83 Ų | 83 | 106.7 Ų | 106.7 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 174.8 | -74.9 | 168.2 | 0 | 0 | 0 | 111.1 | R350 L351 L352 E356 M357 C358 | R350-L354 HydrophobicContact CG-CD1 4.19Å; R350-L354 WeakPolarHBondContact O-CB 3.46Å; R350-L354 VanDerWaalsContact O-CG 3.3Å; R350-L354 WeakPolarHBondContact O-CG 3.42Å; R350-L354 PolarHBondContact O-N 2.83Å; L351-L354 PolarHBondContact O-N 3.28Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-L354 PolarHBondContact O-N 2.92Å; L354-E356 PolarHBondContact O-N 2.89Å; L354-M357 HydrophobicContact CD2-CE 3.65Å; L354-M357 HydrophobicContact CG-CE 4.45Å; L354-M357 PolarHBondContact O-N 3.23Å; L354-C358 WeakPolarHBondContact O-CB 3.29Å; L354-C358 PolarHBondContact O-N 3.44Å; L354-C358 PolarHBondContact O-SG 2.86Å |
| 355 | A | 87.6 | Confident | 89.9 | Confident | 49 Ų | 49 | 106.9 Ų | 106.9 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L351 L352 C358 R359 | L351-A355 WeakPolarHBondContact O-CB 3.18Å; L351-A355 PolarHBondContact O-N 3.16Å; L352-A355 PolarHBondContact O-N 3.42Å; A355-C358 PolarHBondContact O-N 2.91Å; A355-R359 VanDerWaalsContact O-CB 3.29Å; A355-R359 WeakPolarHBondContact O-CB 3.34Å; A355-R359 PolarHBondContact O-N 3.37Å |
| 356 | E | 89.7 | Confident | 89.2 | Confident | 133 Ų | 133 | 103.4 Ų | 103.4 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -42.5 | 174.1 | -78.2 | -178.6 | 169.2 | 0 | 0 | 112.6 | L352 R353 L354 R359 K360 | L352-E356 PolarHBondContact O-N 2.91Å; R353-E356 PolarHBondContact O-N 3.45Å; L354-E356 PolarHBondContact O-N 2.89Å; E356-R359 PolarHBondContact O-N 2.99Å; E356-K360 PolarHBondContact O-N 3.1Å |
| 357 | M | 92.1 | Very high | 88.5 | Confident | 105 Ų | 105 | 102.8 Ų | 102.8 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 175.9 | -71.5 | -168.8 | -54.3 | 0 | 0 | 111.8 | R353 L354 R359 K360 | R353-M357 WeakPolarHBondContact O-CG 3.25Å; R353-M357 PolarHBondContact O-N 3.44Å; L354-M357 HydrophobicContact CD2-CE 3.65Å; L354-M357 HydrophobicContact CG-CE 4.45Å; L354-M357 PolarHBondContact O-N 3.23Å; M357-R359 VanDerWaalsContact C-N 3.33Å; M357-K360 WeakPolarHBondContact O-CB 3.27Å; M357-K360 PolarHBondContact O-N 2.94Å |
| 358 | C | 87.2 | Confident | 87.8 | Confident | 71 Ų | 71 | 100.4 Ų | 100.4 | 48% | 0.48 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 174.8 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | L354 A355 K360 L361 E362 | L354-C358 WeakPolarHBondContact O-CB 3.29Å; L354-C358 PolarHBondContact O-N 3.44Å; L354-C358 PolarHBondContact O-SG 2.86Å; A355-C358 PolarHBondContact O-N 2.91Å; C358-K360 PolarHBondContact O-N 2.89Å; C358-L361 WeakPolarHBondContact O-CB 3.32Å; C358-L361 PolarHBondContact O-N 3.32Å; C358-E362 PolarHBondContact O-N 3.26Å |
| 359 | R | 85.9 | Confident | 86.9 | Confident | 137 Ų | 137 | 103 Ų | 103 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -22.8 | 179.6 | -166.3 | 171.5 | -176.8 | 165 | 2.6 | 114 | A355 E356 M357 L361 E362 K367 | A355-R359 VanDerWaalsContact O-CB 3.29Å; A355-R359 WeakPolarHBondContact O-CB 3.34Å; A355-R359 PolarHBondContact O-N 3.37Å; E356-R359 PolarHBondContact O-N 2.99Å; M357-R359 VanDerWaalsContact C-N 3.33Å; R359-L361 VanDerWaalsContact C-N 3.25Å; R359-L361 PolarHBondContact O-N 3.48Å; R359-E362 VanDerWaalsContact CA-OE1 3.28Å; R359-E362 WeakPolarHBondContact CA-OE1 3.48Å; R359-E362 PolarHBondContact O-N 2.84Å; R359-K367 HydrophobicContact CG-CG 4.44Å; R359-K367 WeakPolarHBondContact O-CE 3.5Å |
| 360 | K | 89.6 | Confident | 85.7 | Confident | 160 Ų | 160 | 100.3 Ų | 100.3 | 70% | 0.696 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.2 | 171.8 | -67.9 | 174.1 | -175.4 | 178.7 | 0 | 113 | E356 M357 C358 | E356-K360 PolarHBondContact O-N 3.1Å; M357-K360 WeakPolarHBondContact O-CB 3.27Å; M357-K360 PolarHBondContact O-N 2.94Å; C358-K360 PolarHBondContact O-N 2.89Å |
| 361 | L | 87.1 | Confident | 84.5 | Confident | 156 Ų | 156 | 96.7 Ų | 96.7 | 82% | 0.817 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.6 | -178.7 | -58.9 | 175.7 | 0 | 0 | 0 | 112.8 | C358 R359 | C358-L361 WeakPolarHBondContact O-CB 3.32Å; C358-L361 PolarHBondContact O-N 3.32Å; R359-L361 VanDerWaalsContact C-N 3.25Å; R359-L361 PolarHBondContact O-N 3.48Å |
| 362 | E | 86.1 | Confident | 83.2 | Confident | 22 Ų | 22 | 94.5 Ų | 94.5 | 10% | 0.103 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -73.6 | 146.6 | 175 | -77 | 159.2 | -135.9 | 0 | 0 | 111.8 | C358 R359 E366 K367 R412 | C358-E362 PolarHBondContact O-N 3.26Å; R359-E362 VanDerWaalsContact CA-OE1 3.28Å; R359-E362 WeakPolarHBondContact CA-OE1 3.48Å; R359-E362 PolarHBondContact O-N 2.84Å; E362-E366 HydrophobicContact CB-CB 4.27Å; E362-K367 HydrophobicContact CB-CG 4.15Å; E362-K367 VanDerWaalsContact O-CE 3.29Å; E362-K367 WeakPolarHBondContact O-CE 3.36Å; E362-R412 VanDerWaalsContact CD-CZ 3.49Å; E362-R412 VanDerWaalsContact CD-NH2 3.27Å; E362-R412 IonicContact OE1-CZ 3.65Å; E362-R412 VanDerWaalsContact OE1-CZ 3.24Å; E362-R412 IonicContact OE1-NH1 2.91Å; E362-R412 PolarHBondContact OE1-NH1 3.3Å; E362-R412 IonicContact OE1-NH2 2.83Å; E362-R412 PolarHBondContact OE1-NH2 3.23Å; E362-R412 IonicContact OE2-CZ 3.2Å; E362-R412 IonicContact OE2-NH1 3.5Å; E362-R412 PolarHBondContact OE2-NH1 3.4Å; E362-R412 IonicContact OE2-NH2 3.79Å |
| 363 | T | 84.8 | Confident | 81.6 | Confident | 72 Ų | 72 | 95.3 Ų | 95.3 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | trans | -70.2 | 157.2 | 173.1 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | H365 E366 K367 | T363-H365 PolarHBondContact O-N 3.37Å; T363-E366 PolarHBondContact N-OE2 3.24Å; T363-E366 PolarHBondContact O-N 2.91Å; T363-E366 VanDerWaalsContact O-N 3.1Å; T363-E366 VanDerWaalsContact OG1-CD 3.26Å; T363-E366 VanDerWaalsContact OG1-CG 3.25Å; T363-E366 WeakPolarHBondContact OG1-CG 3.33Å; T363-E366 PolarHBondContact OG1-N 2.93Å; T363-E366 PolarHBondContact OG1-OE2 3.08Å; T363-K367 WeakPolarHBondContact O-CG 3.4Å; T363-K367 PolarHBondContact O-N 2.91Å | ||
| 364 | E | 80.9 | Confident | 80 | Confident | 128 Ų | 128 | 90.6 Ų | 90.6 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -58.6 | -33.9 | 177.2 | -66.4 | -57.1 | 132.3 | 0 | 0 | 112.2 | K367 V368 | E364-K367 PolarHBondContact O-N 3.12Å; E364-K367 IonicContact OE1-NZ 3.27Å; E364-K367 PolarHBondContact OE1-NZ 2.95Å; E364-V368 VanDerWaalsContact O-CG2 3.31Å; E364-V368 WeakPolarHBondContact O-CG2 3.33Å; E364-V368 PolarHBondContact O-N 3.37Å; E364-V368 VanDerWaalsContact O-N 3.17Å |
| 365 | H | 78.3 | Confident | 78.4 | Confident | 116 Ų | 116 | 92.7 Ų | 92.7 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.4 | -169.1 | 66.3 | 0 | 0 | 0 | 112 | T363 K367 V368 L369 | T363-H365 PolarHBondContact O-N 3.37Å; H365-K367 VanDerWaalsContact C-N 3.33Å; H365-K367 PolarHBondContact O-N 3.11Å; H365-V368 PolarHBondContact O-N 3.48Å; H365-L369 PolarHBondContact O-N 2.88Å |
| 366 | E | 79.9 | Confident | 77.2 | Confident | 9 Ų | 9 | 93.4 Ų | 93.4 | 4% | 0.042 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -70.2 | -27.7 | 177.9 | -71 | 168.9 | 149.1 | 0 | 0 | 113.4 | E362 T363 L369 P370 Y372 K415 | E362-E366 HydrophobicContact CB-CB 4.27Å; T363-E366 PolarHBondContact N-OE2 3.24Å; T363-E366 PolarHBondContact O-N 2.91Å; T363-E366 VanDerWaalsContact O-N 3.1Å; T363-E366 VanDerWaalsContact OG1-CD 3.26Å; T363-E366 VanDerWaalsContact OG1-CG 3.25Å; T363-E366 WeakPolarHBondContact OG1-CG 3.33Å; T363-E366 PolarHBondContact OG1-N 2.93Å; T363-E366 PolarHBondContact OG1-OE2 3.08Å; E366-L369 CarbonylContact O-C 3.52Å; E366-P370 VanDerWaalsContact O-CA 3.23Å; E366-P370 WeakPolarHBondContact O-CA 3.46Å; E366-P370 WeakPolarHBondContact O-CG 3.46Å; E366-Y372 WeakPolarHBondContact CG-OH 3.26Å; E366-K415 IonicContact OE1-NZ 3.9Å; E366-K415 PolarHBondContact OE1-NZ 3.41Å |
| 367 | K | 80.6 | Confident | 76.2 | Confident | 56 Ų | 56 | 90.7 Ų | 90.7 | 24% | 0.243 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -71.5 | -32.8 | 174 | -70.1 | 176 | -168 | 164.3 | 0 | 112.5 | R359 E362 T363 E364 H365 | R359-K367 HydrophobicContact CG-CG 4.44Å; R359-K367 WeakPolarHBondContact O-CE 3.5Å; E362-K367 HydrophobicContact CB-CG 4.15Å; E362-K367 VanDerWaalsContact O-CE 3.29Å; E362-K367 WeakPolarHBondContact O-CE 3.36Å; T363-K367 WeakPolarHBondContact O-CG 3.4Å; T363-K367 PolarHBondContact O-N 2.91Å; E364-K367 PolarHBondContact O-N 3.12Å; E364-K367 IonicContact OE1-NZ 3.27Å; E364-K367 PolarHBondContact OE1-NZ 2.95Å; H365-K367 VanDerWaalsContact C-N 3.33Å; H365-K367 PolarHBondContact O-N 3.11Å |
| 368 | V | 79.9 | Confident | 75 | Confident | 110 Ų | 110 | 89.7 Ų | 89.7 | 67% | 0.667 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -86.4 | -41 | -178.6 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | E364 H365 P370 | E364-V368 VanDerWaalsContact O-CG2 3.31Å; E364-V368 WeakPolarHBondContact O-CG2 3.33Å; E364-V368 PolarHBondContact O-N 3.37Å; E364-V368 VanDerWaalsContact O-N 3.17Å; H365-V368 PolarHBondContact O-N 3.48Å; V368-P370 WeakPolarHBondContact O-CD 3.27Å |
| 369 | L | 75.5 | Confident | 74 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | trans | -122.8 | 80.5 | 173.8 | -78 | 127 | 0 | 0 | 0 | 110.7 | H365 E366 F371 | H365-L369 PolarHBondContact O-N 2.88Å; E366-L369 CarbonylContact O-C 3.52Å; L369-F371 PolarHBondContact O-N 3.48Å | ||
| 370 | P | 67.3 | Low | 73.1 | Confident | 32 Ų | 32 | 91.8 Ų | 91.8 | 21% | 0.208 | 50% | 0.495 | C | S | . | . | trans | -70.2 | -20.4 | 179.4 | -19.1 | 32.1 | 0 | 0 | 0 | 114.1 | E366 V368 R412 | E366-P370 VanDerWaalsContact O-CA 3.23Å; E366-P370 WeakPolarHBondContact O-CA 3.46Å; E366-P370 WeakPolarHBondContact O-CG 3.46Å; V368-P370 WeakPolarHBondContact O-CD 3.27Å; P370-R412 WeakPolarHBondContact O-CD 3.34Å | ||
| 371 | F | 70.5 | Confident | 71.9 | Confident | 107 Ų | 107 | 86.3 Ų | 86.3 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -123.5 | 121.5 | -175.9 | -50 | -59.9 | 0 | 0 | 0 | 108.8 | L369 R408 | L369-F371 PolarHBondContact O-N 3.48Å; F371-R408 HydrophobicContact CD1-CB 3.64Å; F371-R408 HydrophobicContact CD1-CG 4.14Å; F371-R408 HydrophobicContact CE1-CB 3.63Å; F371-R408 HydrophobicContact CE1-CG 4.43Å |
| 372 | Y | 65.2 | Low | 70.8 | Confident | 73 Ų | 73 | 82 Ų | 82 | 29% | 0.286 | 46% | 0.455 | S | S | . | . | trans | -91.7 | 146.5 | -177.2 | -61.2 | -89 | 0 | 0 | 0 | 109.7 | E366 S374 K415 | E366-Y372 WeakPolarHBondContact CG-OH 3.26Å; Y372-S374 PolarHBondContact O-N 3.37Å; Y372-K415 HydrophobicContact CD2-CD 3.78Å; Y372-K415 HydrophobicContact CE1-CD 4.12Å; Y372-K415 HydrophobicContact CE2-CD 3.18Å; Y372-K415 WeakPolarHBondContact OH-CE 3.26Å; Y372-K415 PolarHBondContact OH-NZ 2.98Å | ||
| 373 | T | 59.2 | Low | 69.8 | Low | 131 Ų | 131 | 84.5 Ų | 84.5 | 80% | 0.804 | 47% | 0.466 | S | S | * | . | trans | -61.4 | 129.3 | 167.2 | 42.5 | 0 | 0 | 0 | 0 | 108.7 | S375 | T373-S375 PolarHBondContact O-N 2.9Š| ||
| 374 | S | 58.9 | Low | 68.9 | Low | 62 Ų | 62 | 86.4 Ų | 86.4 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | trans | -44.6 | 128.5 | 171 | 21 | 0 | 0 | 0 | 0 | 110 | Y372 L376 E381 | Y372-S374 PolarHBondContact O-N 3.37Å; S374-L376 PolarHBondContact O-N 3.01Å; S374-E381 VanDerWaalsContact CB-OE1 3.31Å; S374-E381 WeakPolarHBondContact CB-OE1 3.29Å; S374-E381 PolarHBondContact OG-OE1 3.45Å | ||
| 375 | S | 60.9 | Low | 68.2 | Low | 128 Ų | 128 | 88.4 Ų | 88.4 | 90% | 0.895 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -71.6 | -3.9 | 172.8 | -42.1 | 0 | 0 | 0 | 0 | 112.5 | T373 | T373-S375 PolarHBondContact O-N 2.9Š|
| 376 | L | 61.4 | Low | 67.6 | Low | 63 Ų | 63 | 85.2 Ų | 85.2 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -77.2 | 139.2 | -178.5 | -65.1 | 165.7 | 0 | 0 | 0 | 109.8 | S374 E380 E381 E384 | S374-L376 PolarHBondContact O-N 3.01Å; L376-E380 HydrophobicContact CB-CB 4.09Å; L376-E380 HydrophobicContact CD2-CB 3.98Å; L376-E381 HydrophobicContact CB-CG 3.87Å; L376-E384 WeakPolarHBondContact CD1-OE2 3.43Å |
| 377 | T | 69.9 | Low | 66.8 | Low | 77 Ų | 77 | 89 Ų | 89 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | trans | -67.9 | 157.2 | 170.9 | 55.4 | 0 | 0 | 0 | 0 | 110.6 | E379 E380 E381 | T377-E379 PolarHBondContact O-N 3.37Å; T377-E380 PolarHBondContact N-OE2 3.25Å; T377-E380 PolarHBondContact O-N 2.93Å; T377-E380 VanDerWaalsContact OG1-CG 3.28Å; T377-E380 WeakPolarHBondContact OG1-CG 3.33Å; T377-E380 PolarHBondContact OG1-OE2 3.28Å; T377-E381 PolarHBondContact O-N 2.9Å | ||
| 378 | A | 66.3 | Low | 65.9 | Low | 84 Ų | 84 | 89.7 Ų | 89.7 | 69% | 0.694 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.5 | -28 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S382 | A378-S382 WeakPolarHBondContact O-CB 3.22Å; A378-S382 PolarHBondContact O-N 2.81Å |
| 379 | E | 65.2 | Low | 64.8 | Low | 158 Ų | 158 | 92.5 Ų | 92.5 | 74% | 0.738 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.8 | -43.9 | 174.3 | -66.8 | 179.1 | 174 | 0 | 0 | 111.7 | T377 S382 Q383 | T377-E379 PolarHBondContact O-N 3.37Å; E379-S382 PolarHBondContact O-N 3.12Å; E379-S382 PolarHBondContact O-OG 3.4Å; E379-Q383 PolarHBondContact O-N 2.89Å |
| 380 | E | 68.4 | Low | 64.1 | Low | 94 Ų | 94 | 94.7 Ų | 94.7 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 177.3 | -69.1 | 165.3 | 148.7 | 0 | 0 | 112.2 | L376 T377 S382 Q383 E384 | L376-E380 HydrophobicContact CB-CB 4.09Å; L376-E380 HydrophobicContact CD2-CB 3.98Å; T377-E380 PolarHBondContact N-OE2 3.25Å; T377-E380 PolarHBondContact O-N 2.93Å; T377-E380 VanDerWaalsContact OG1-CG 3.28Å; T377-E380 WeakPolarHBondContact OG1-CG 3.33Å; T377-E380 PolarHBondContact OG1-OE2 3.28Å; E380-S382 VanDerWaalsContact C-N 3.32Å; E380-S382 PolarHBondContact O-N 2.94Å; E380-Q383 PolarHBondContact O-N 2.97Å; E380-E384 PolarHBondContact O-N 3.12Å |
| 381 | E | 62.9 | Low | 63.7 | Low | 44 Ų | 44 | 98.8 Ų | 98.8 | 21% | 0.206 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 172.7 | -72.9 | -169.4 | -176.4 | 0 | 0 | 112.3 | S374 L376 T377 Q383 R385 | S374-E381 VanDerWaalsContact CB-OE1 3.31Å; S374-E381 WeakPolarHBondContact CB-OE1 3.29Å; S374-E381 PolarHBondContact OG-OE1 3.45Å; L376-E381 HydrophobicContact CB-CG 3.87Å; T377-E381 PolarHBondContact O-N 2.9Å; E381-Q383 VanDerWaalsContact C-N 3.27Å; E381-Q383 PolarHBondContact O-N 3.18Å; E381-R385 WeakPolarHBondContact O-CB 3.43Å; E381-R385 VanDerWaalsContact O-CG 3.25Å; E381-R385 WeakPolarHBondContact O-CG 3.16Å; E381-R385 PolarHBondContact O-N 3.38Å; E381-R385 IonicContact OE2-CZ 2.7Å; E381-R385 IonicContact OE2-NH1 3.63Å; E381-R385 IonicContact OE2-NH2 3.48Å; E381-R385 PolarHBondContact OE2-NH2 2.87Å |
| 382 | S | 64.7 | Low | 63.2 | Low | 67 Ų | 67 | 95.3 Ų | 95.3 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.9 | -32.9 | 177.5 | 76.5 | 0 | 0 | 0 | 0 | 111.7 | A378 E379 E380 A386 | A378-S382 WeakPolarHBondContact O-CB 3.22Å; A378-S382 PolarHBondContact O-N 2.81Å; E379-S382 PolarHBondContact O-N 3.12Å; E379-S382 PolarHBondContact O-OG 3.4Å; E380-S382 VanDerWaalsContact C-N 3.32Å; E380-S382 PolarHBondContact O-N 2.94Å; S382-A386 WeakPolarHBondContact O-CB 3.18Å; S382-A386 PolarHBondContact O-N 3.42Å |
| 383 | Q | 66.2 | Low | 63 | Low | 74 Ų | 74 | 97.7 Ų | 97.7 | 35% | 0.346 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.2 | -41.6 | 177.8 | -162.4 | 71.8 | 62.6 | 0 | 0 | 112.1 | E379 E380 E381 A386 N387 | E379-Q383 PolarHBondContact O-N 2.89Å; E380-Q383 PolarHBondContact O-N 2.97Å; E381-Q383 VanDerWaalsContact C-N 3.27Å; E381-Q383 PolarHBondContact O-N 3.18Å; Q383-A386 PolarHBondContact O-N 3.46Å; Q383-N387 WeakPolarHBondContact O-CB 3.46Å; Q383-N387 PolarHBondContact O-N 2.71Å; Q383-N387 PolarHBondContact O-OD1 3.1Å |
| 384 | E | 65.7 | Low | 63.7 | Low | 112 Ų | 112 | 98 Ų | 98 | 52% | 0.523 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.6 | -41.8 | 172.6 | -85.4 | -169.5 | 160.4 | 0 | 0 | 112 | L376 E380 A386 N387 A388 | L376-E384 WeakPolarHBondContact CD1-OE2 3.43Å; E380-E384 PolarHBondContact O-N 3.12Å; E384-A386 VanDerWaalsContact C-N 3.3Å; E384-A386 PolarHBondContact O-N 3.19Å; E384-N387 PolarHBondContact O-N 3.3Å; E384-A388 WeakPolarHBondContact O-CB 3.4Å; E384-A388 PolarHBondContact O-N 3.1Å |
| 385 | R | 65.7 | Low | 64.1 | Low | 169 Ų | 169 | 103.2 Ų | 103.2 | 64% | 0.638 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.3 | -36.5 | 174.6 | -73.1 | 176.1 | -169.5 | 145.9 | 16.3 | 112.2 | E381 M389 | E381-R385 WeakPolarHBondContact O-CB 3.43Å; E381-R385 VanDerWaalsContact O-CG 3.25Å; E381-R385 WeakPolarHBondContact O-CG 3.16Å; E381-R385 PolarHBondContact O-N 3.38Å; E381-R385 IonicContact OE2-CZ 2.7Å; E381-R385 IonicContact OE2-NH1 3.63Å; E381-R385 IonicContact OE2-NH2 3.48Å; E381-R385 PolarHBondContact OE2-NH2 2.87Å; R385-M389 PolarHBondContact O-N 2.92Å |
| 386 | A | 64.6 | Low | 64.3 | Low | 50 Ų | 50 | 103.2 Ų | 103.2 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.3 | -42.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S382 Q383 E384 M389 | S382-A386 WeakPolarHBondContact O-CB 3.18Å; S382-A386 PolarHBondContact O-N 3.42Å; Q383-A386 PolarHBondContact O-N 3.46Å; E384-A386 VanDerWaalsContact C-N 3.3Å; E384-A386 PolarHBondContact O-N 3.19Å; A386-M389 VanDerWaalsContact O-CB 3.25Å; A386-M389 WeakPolarHBondContact O-CB 3.43Å; A386-M389 PolarHBondContact O-N 3.35Å |
| 387 | N | 64 | Low | 64.4 | Low | 87 Ų | 87 | 101.8 Ų | 101.8 | 47% | 0.465 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.2 | -33.1 | 177.4 | -64.8 | -5 | 0 | 0 | 0 | 112.2 | Q383 E384 M389 E390 | Q383-N387 WeakPolarHBondContact O-CB 3.46Å; Q383-N387 PolarHBondContact O-N 2.71Å; Q383-N387 PolarHBondContact O-OD1 3.1Å; E384-N387 PolarHBondContact O-N 3.3Å; N387-M389 PolarHBondContact O-N 3.08Å; N387-E390 PolarHBondContact O-N 2.88Å |
| 388 | A | 60.8 | Low | 64.3 | Low | 72 Ų | 72 | 103.2 Ų | 103.2 | 60% | 0.595 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -15.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E384 | E384-A388 WeakPolarHBondContact O-CB 3.4Å; E384-A388 PolarHBondContact O-N 3.1Å |
| 389 | M | 58.1 | Low | 64.3 | Low | 169 Ų | 169 | 101.4 Ų | 101.4 | 83% | 0.833 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -16.1 | 175.3 | -155.2 | 87.3 | 145.6 | 0 | 0 | 112.1 | R385 A386 N387 | R385-M389 PolarHBondContact O-N 2.92Å; A386-M389 VanDerWaalsContact O-CB 3.25Å; A386-M389 WeakPolarHBondContact O-CB 3.43Å; A386-M389 PolarHBondContact O-N 3.35Å; N387-M389 PolarHBondContact O-N 3.08Å |
| 390 | E | 60.9 | Low | 64.3 | Low | 136 Ų | 136 | 99.6 Ų | 99.6 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -77.7 | 131.2 | 173.5 | -67.3 | -174.4 | 160 | 0 | 0 | 109.8 | N387 P392 | N387-E390 PolarHBondContact O-N 2.88Å; E390-P392 WeakPolarHBondContact O-CD 3.49Å |
| 391 | P | 58.6 | Low | 64.2 | Low | 118 Ų | 118 | 98.8 Ų | 98.8 | 77% | 0.766 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 121.5 | 180 | 25.6 | -31.9 | 0 | 0 | 0 | 109.4 | S393 | P391-S393 PolarHBondContact O-N 2.81Š|
| 392 | P | 59.3 | Low | 64.4 | Low | 33 Ų | 33 | 103.1 Ų | 103.1 | 21% | 0.214 | 56% | 0.559 | C | S | . | * | P | Polyproline II helix | trans | -67 | 130.7 | -174.4 | 20.2 | -27.9 | 0 | 0 | 0 | 111.8 | E390 E394 A397 Q398 L401 | E390-P392 WeakPolarHBondContact O-CD 3.49Å; P392-E394 VanDerWaalsContact C-N 3.31Å; P392-E394 PolarHBondContact O-N 3.46Å; P392-A397 HydrophobicContact CB-CB 3.38Å; P392-A397 HydrophobicContact CG-CB 4.15Å; P392-Q398 HydrophobicContact CG-CG 3.99Å; P392-Q398 PolarHBondContact O-NE2 2.75Å; P392-Q398 VanDerWaalsContact O-NE2 3.09Å; P392-L401 HydrophobicContact CG-CD1 3.82Å; P392-L401 HydrophobicContact CG-CG 4.28Å |
| 393 | S | 61.4 | Low | 64.5 | Low | 123 Ų | 123 | 106.7 Ų | 106.7 | 86% | 0.86 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -73 | -19 | 180 | 177 | 0 | 0 | 0 | 0 | 113.9 | P391 | P391-S393 PolarHBondContact O-N 2.81Š|
| 394 | E | 73.5 | Confident | 64.6 | Low | 137 Ų | 137 | 108 Ų | 108 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -105.7 | 140.5 | -173.5 | -64.6 | -174.6 | 166.3 | 0 | 0 | 112 | P392 L396 A397 Q398 | P392-E394 VanDerWaalsContact C-N 3.31Å; P392-E394 PolarHBondContact O-N 3.46Å; E394-L396 PolarHBondContact O-N 3.42Å; E394-A397 HydrophobicContact CB-CB 4.4Å; E394-A397 PolarHBondContact O-N 2.8Å; E394-Q398 PolarHBondContact O-N 3.34Å; E394-Q398 VanDerWaalsContact O-N 3.07Å |
| 395 | E | 67.1 | Low | 65 | Low | 172 Ų | 172 | 109.2 Ų | 109.2 | 80% | 0.804 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.2 | -34.4 | -178.7 | -65.2 | -179.3 | 170.4 | 0 | 0 | 112.9 | Q398 A399 | E395-Q398 PolarHBondContact O-N 2.82Å; E395-A399 PolarHBondContact O-N 2.9Å; E395-A399 VanDerWaalsContact O-N 3.08Å |
| 396 | L | 66.6 | Low | 65.7 | Low | 128 Ų | 128 | 104.6 Ų | 104.6 | 67% | 0.67 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.6 | -41.4 | 176.6 | -175.4 | 69.6 | 0 | 0 | 0 | 111.5 | E394 Q398 A399 M400 | E394-L396 PolarHBondContact O-N 3.42Å; L396-Q398 VanDerWaalsContact C-N 3.34Å; L396-A399 PolarHBondContact O-N 2.9Å; L396-M400 HydrophobicContact CG-SD 4.48Å; L396-M400 VanDerWaalsContact O-CG 3.31Å; L396-M400 WeakPolarHBondContact O-CG 3.35Å; L396-M400 PolarHBondContact O-N 3.28Å |
| 397 | A | 63.8 | Low | 66.3 | Low | 33 Ų | 33 | 107.3 Ų | 107.3 | 27% | 0.273 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.9 | -30.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | P392 E394 M400 L401 | P392-A397 HydrophobicContact CB-CB 3.38Å; P392-A397 HydrophobicContact CG-CB 4.15Å; E394-A397 HydrophobicContact CB-CB 4.4Å; E394-A397 PolarHBondContact O-N 2.8Å; A397-M400 PolarHBondContact O-N 2.94Å; A397-L401 PolarHBondContact O-N 2.88Å |
| 398 | Q | 67.1 | Low | 67.1 | Low | 107 Ų | 107 | 110.6 Ų | 110.6 | 50% | 0.5 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.8 | -43 | 169 | -68.6 | 175.7 | 6.1 | 0 | 0 | 112.2 | P392 E394 E395 L396 M400 L401 | P392-Q398 HydrophobicContact CG-CG 3.99Å; P392-Q398 PolarHBondContact O-NE2 2.75Å; P392-Q398 VanDerWaalsContact O-NE2 3.09Å; E394-Q398 PolarHBondContact O-N 3.34Å; E394-Q398 VanDerWaalsContact O-N 3.07Å; E395-Q398 PolarHBondContact O-N 2.82Å; L396-Q398 VanDerWaalsContact C-N 3.34Å; Q398-M400 VanDerWaalsContact C-N 3.29Å; Q398-M400 PolarHBondContact O-N 3.32Å; Q398-L401 WeakPolarHBondContact O-CB 3.48Å; Q398-L401 PolarHBondContact O-N 2.99Å |
| 399 | A | 66.9 | Low | 68.2 | Low | 46 Ų | 46 | 112.5 Ų | 112.5 | 38% | 0.38 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.9 | -29.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E395 L396 L401 D402 Y403 | E395-A399 PolarHBondContact O-N 2.9Å; E395-A399 VanDerWaalsContact O-N 3.08Å; L396-A399 PolarHBondContact O-N 2.9Å; A399-L401 VanDerWaalsContact C-N 3.29Å; A399-L401 PolarHBondContact O-N 2.97Å; A399-D402 PolarHBondContact O-N 3.35Å; A399-Y403 WeakPolarHBondContact O-CD2 3.44Å |
| 400 | M | 64.2 | Low | 69.4 | Low | 121 Ų | 121 | 110.2 Ų | 110.2 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.5 | -23.5 | 175.6 | -75.6 | -178.8 | 68.8 | 0 | 0 | 113.3 | L396 A397 Q398 D402 Y403 L404 | L396-M400 HydrophobicContact CG-SD 4.48Å; L396-M400 VanDerWaalsContact O-CG 3.31Å; L396-M400 WeakPolarHBondContact O-CG 3.35Å; L396-M400 PolarHBondContact O-N 3.28Å; A397-M400 PolarHBondContact O-N 2.94Å; Q398-M400 VanDerWaalsContact C-N 3.29Å; Q398-M400 PolarHBondContact O-N 3.32Å; M400-D402 VanDerWaalsContact C-N 3.26Å; M400-D402 PolarHBondContact O-N 3.08Å; M400-Y403 CarbonylContact O-C 3.56Å; M400-Y403 PolarHBondContact O-N 2.86Å; M400-L404 PolarHBondContact O-N 3.3Å |
| 401 | L | 66.9 | Low | 70.4 | Confident | 77 Ų | 77 | 107.5 Ų | 107.5 | 40% | 0.403 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 173.4 | -67.8 | 172.5 | 0 | 0 | 0 | 111.8 | P392 A397 Q398 A399 Y403 L404 | P392-L401 HydrophobicContact CG-CD1 3.82Å; P392-L401 HydrophobicContact CG-CG 4.28Å; A397-L401 PolarHBondContact O-N 2.88Å; Q398-L401 WeakPolarHBondContact O-CB 3.48Å; Q398-L401 PolarHBondContact O-N 2.99Å; A399-L401 VanDerWaalsContact C-N 3.29Å; A399-L401 PolarHBondContact O-N 2.97Å; L401-Y403 PolarHBondContact O-N 3.47Å; L401-L404 HydrophobicContact CB-CD1 4.42Å; L401-L404 HydrophobicContact CD2-CD1 3.77Å; L401-L404 HydrophobicContact CD2-CG 4.48Å; L401-L404 WeakPolarHBondContact O-CD1 3.37Å; L401-L404 VanDerWaalsContact O-CG 3.29Å; L401-L404 WeakPolarHBondContact O-CG 3.36Å; L401-L404 PolarHBondContact O-N 3.24Å |
| 402 | D | 66.3 | Low | 71.5 | Confident | 135 Ų | 135 | 104.9 Ų | 104.9 | 72% | 0.722 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.6 | 177.6 | -68.8 | -21.9 | 0 | 0 | 0 | 112.8 | A399 M400 | A399-D402 PolarHBondContact O-N 3.35Å; M400-D402 VanDerWaalsContact C-N 3.26Å; M400-D402 PolarHBondContact O-N 3.08Å |
| 403 | Y | 67.1 | Low | 72.8 | Confident | 141 Ų | 141 | 108.8 Ų | 108.8 | 55% | 0.553 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 11.8 | -178.6 | -60.8 | -73.8 | 0 | 0 | 0 | 113.9 | A399 M400 L401 V405 L406 | A399-Y403 WeakPolarHBondContact O-CD2 3.44Å; M400-Y403 CarbonylContact O-C 3.56Å; M400-Y403 PolarHBondContact O-N 2.86Å; L401-Y403 PolarHBondContact O-N 3.47Å; Y403-V405 PolarHBondContact O-N 3.44Å; Y403-V405 VanDerWaalsContact O-N 3.16Å; Y403-L406 WeakPolarHBondContact O-CA 3.29Å; Y403-L406 WeakPolarHBondContact O-CB 3.41Å; Y403-L406 PolarHBondContact O-N 2.79Å |
| 404 | L | 69.4 | Low | 74 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -55.1 | -34 | 175.3 | -71.8 | 170.7 | 0 | 0 | 0 | 112.3 | M400 L401 L406 E407 | M400-L404 PolarHBondContact O-N 3.3Å; L401-L404 HydrophobicContact CB-CD1 4.42Å; L401-L404 HydrophobicContact CD2-CD1 3.77Å; L401-L404 HydrophobicContact CD2-CG 4.48Å; L401-L404 WeakPolarHBondContact O-CD1 3.37Å; L401-L404 VanDerWaalsContact O-CG 3.29Å; L401-L404 WeakPolarHBondContact O-CG 3.36Å; L401-L404 PolarHBondContact O-N 3.24Å; L404-L406 PolarHBondContact O-N 2.79Å; L404-L406 VanDerWaalsContact O-N 3.14Å; L404-E407 VanDerWaalsContact O-CB 3.27Å; L404-E407 WeakPolarHBondContact O-CB 3.42Å; L404-E407 PolarHBondContact O-N 3.05Å |
| 405 | V | 72.6 | Confident | 74.5 | Confident | 138 Ų | 138 | 102.3 Ų | 102.3 | 84% | 0.836 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -63.7 | -20.2 | 177 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | Y403 | Y403-V405 PolarHBondContact O-N 3.44Å; Y403-V405 VanDerWaalsContact O-N 3.16Å |
| 406 | L | 80.3 | Confident | 75.4 | Confident | 73 Ų | 73 | 97.4 Ų | 97.4 | 38% | 0.382 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -95 | 6.9 | 177.6 | -81.7 | 76.6 | 0 | 0 | 0 | 113.4 | Y403 L404 R408 F409 W410 | Y403-L406 WeakPolarHBondContact O-CA 3.29Å; Y403-L406 WeakPolarHBondContact O-CB 3.41Å; Y403-L406 PolarHBondContact O-N 2.79Å; L404-L406 PolarHBondContact O-N 2.79Å; L404-L406 VanDerWaalsContact O-N 3.14Å; L406-R408 VanDerWaalsContact C-N 3.26Å; L406-R408 PolarHBondContact O-N 2.76Å; L406-F409 HydrophobicContact CB-CB 4.41Å; L406-F409 WeakPolarHBondContact O-CA 3.3Å; L406-F409 VanDerWaalsContact O-CB 3.3Å; L406-F409 WeakPolarHBondContact O-CB 3.4Å; L406-F409 PolarHBondContact O-N 3.26Å; L406-W410 PolarHBondContact O-N 3.18Å |
| 407 | E | 77.9 | Confident | 76.6 | Confident | 107 Ų | 107 | 93.6 Ų | 93.6 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -51.6 | -45.8 | -179 | -171.1 | -169.5 | 162.4 | 0 | 0 | 112.3 | L404 F409 W410 Q411 | L404-E407 VanDerWaalsContact O-CB 3.27Å; L404-E407 WeakPolarHBondContact O-CB 3.42Å; L404-E407 PolarHBondContact O-N 3.05Å; E407-F409 VanDerWaalsContact C-N 3.3Å; E407-F409 PolarHBondContact O-N 3.34Å; E407-W410 PolarHBondContact O-N 2.99Å; E407-W410 VanDerWaalsContact O-N 3.14Å; E407-Q411 WeakPolarHBondContact O-CG 3.45Å; E407-Q411 PolarHBondContact O-N 2.92Å; E407-Q411 PolarHBondContact OE1-NE2 3.46Å |
| 408 | R | 79.9 | Confident | 77.7 | Confident | 155 Ų | 155 | 97.3 Ų | 97.3 | 59% | 0.585 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.9 | -32.2 | 177.4 | -67.9 | -174.8 | -177.4 | -178.5 | 0.9 | 113.7 | F371 L406 R412 | F371-R408 HydrophobicContact CD1-CB 3.64Å; F371-R408 HydrophobicContact CD1-CG 4.14Å; F371-R408 HydrophobicContact CE1-CB 3.63Å; F371-R408 HydrophobicContact CE1-CG 4.43Å; L406-R408 VanDerWaalsContact C-N 3.26Å; L406-R408 PolarHBondContact O-N 2.76Å; R408-R412 PolarHBondContact O-N 3.18Å |
| 409 | F | 84 | Confident | 78.7 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 174.1 | 170.3 | -91.8 | 0 | 0 | 0 | 110.3 | L406 E407 R412 Y413 | L406-F409 HydrophobicContact CB-CB 4.41Å; L406-F409 WeakPolarHBondContact O-CA 3.3Å; L406-F409 VanDerWaalsContact O-CB 3.3Å; L406-F409 WeakPolarHBondContact O-CB 3.4Å; L406-F409 PolarHBondContact O-N 3.26Å; E407-F409 VanDerWaalsContact C-N 3.3Å; E407-F409 PolarHBondContact O-N 3.34Å; F409-R412 PolarHBondContact O-N 2.9Å; F409-Y413 PolarHBondContact O-N 2.84Å |
| 410 | W | 83.5 | Confident | 80 | Confident | 121 Ų | 121 | 100.1 Ų | 100.1 | 46% | 0.458 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 178.6 | -68 | 118 | 0 | 0 | 0 | 112.8 | L406 E407 R412 Y413 N414 | L406-W410 PolarHBondContact O-N 3.18Å; E407-W410 PolarHBondContact O-N 2.99Å; E407-W410 VanDerWaalsContact O-N 3.14Å; W410-R412 VanDerWaalsContact C-N 3.31Å; W410-R412 PolarHBondContact O-N 2.93Å; W410-Y413 HydrophobicContact CE3-CD1 4.09Å; W410-Y413 HydrophobicContact CE3-CG 4.37Å; W410-Y413 HydrophobicContact CZ3-CD1 4.2Å; W410-Y413 HydrophobicContact CZ3-CG 4.5Å; W410-Y413 PolarHBondContact O-N 2.82Å; W410-N414 WeakPolarHBondContact O-CB 3.5Å; W410-N414 PolarHBondContact O-N 3.39Å; W410-N414 PolarHBondContact O-ND2 2.9Å |
| 411 | Q | 81.4 | Confident | 81.4 | Confident | 79 Ų | 79 | 97.7 Ų | 97.7 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.6 | -46 | 171.2 | -71.4 | 171.9 | -2.1 | 0 | 0 | 111.2 | E407 N414 K415 | E407-Q411 WeakPolarHBondContact O-CG 3.45Å; E407-Q411 PolarHBondContact O-N 2.92Å; E407-Q411 PolarHBondContact OE1-NE2 3.46Å; Q411-N414 PolarHBondContact O-N 3.45Å; Q411-K415 PolarHBondContact O-N 2.83Å; Q411-K415 VanDerWaalsContact O-N 3.09Å |
| 412 | R | 82.6 | Confident | 82.6 | Confident | 63 Ų | 63 | 97.3 Ų | 97.3 | 24% | 0.238 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 177.9 | -158.4 | 173.9 | 87.1 | 146.8 | 10.8 | 112.4 | E362 P370 R408 F409 W410 V416 | E362-R412 VanDerWaalsContact CD-CZ 3.49Å; E362-R412 VanDerWaalsContact CD-NH2 3.27Å; E362-R412 IonicContact OE1-CZ 3.65Å; E362-R412 VanDerWaalsContact OE1-CZ 3.24Å; E362-R412 IonicContact OE1-NH1 2.91Å; E362-R412 PolarHBondContact OE1-NH1 3.3Å; E362-R412 IonicContact OE1-NH2 2.83Å; E362-R412 PolarHBondContact OE1-NH2 3.23Å; E362-R412 IonicContact OE2-CZ 3.2Å; E362-R412 IonicContact OE2-NH1 3.5Å; E362-R412 PolarHBondContact OE2-NH1 3.4Å; E362-R412 IonicContact OE2-NH2 3.79Å; P370-R412 WeakPolarHBondContact O-CD 3.34Å; R408-R412 PolarHBondContact O-N 3.18Å; F409-R412 PolarHBondContact O-N 2.9Å; W410-R412 VanDerWaalsContact C-N 3.31Å; W410-R412 PolarHBondContact O-N 2.93Å; R412-V416 WeakPolarHBondContact O-CG2 3.3Å; R412-V416 PolarHBondContact O-N 2.71Å |
| 413 | Y | 86.1 | Confident | 83.9 | Confident | 116 Ų | 116 | 96.1 Ų | 96.1 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 175.4 | 176.4 | -97 | 0 | 0 | 0 | 112 | F409 W410 K415 V416 L417 | F409-Y413 PolarHBondContact O-N 2.84Å; W410-Y413 HydrophobicContact CE3-CD1 4.09Å; W410-Y413 HydrophobicContact CE3-CG 4.37Å; W410-Y413 HydrophobicContact CZ3-CD1 4.2Å; W410-Y413 HydrophobicContact CZ3-CG 4.5Å; W410-Y413 PolarHBondContact O-N 2.82Å; Y413-K415 PolarHBondContact O-N 3.24Å; Y413-V416 PolarHBondContact O-N 3.47Å; Y413-L417 HydrophobicContact CE1-CD2 4.25Å; Y413-L417 WeakPolarHBondContact O-CB 3.27Å; Y413-L417 PolarHBondContact O-N 2.81Å |
| 414 | N | 86.7 | Confident | 85.3 | Confident | 80 Ų | 80 | 93.6 Ų | 93.6 | 43% | 0.428 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | -178.1 | -71.4 | -19.8 | 0 | 0 | 0 | 112.2 | W410 Q411 L417 L418 | W410-N414 WeakPolarHBondContact O-CB 3.5Å; W410-N414 PolarHBondContact O-N 3.39Å; W410-N414 PolarHBondContact O-ND2 2.9Å; Q411-N414 PolarHBondContact O-N 3.45Å; N414-L417 WeakPolarHBondContact O-CB 3.47Å; N414-L417 PolarHBondContact O-N 2.89Å; N414-L418 WeakPolarHBondContact O-CG 3.04Å; N414-L418 PolarHBondContact O-N 3.07Å |
| 415 | K | 84.7 | Confident | 86.5 | Confident | 43 Ų | 43 | 98.2 Ų | 98.2 | 19% | 0.187 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -58.7 | -53.9 | 172.4 | 176.5 | 178.9 | 178.2 | -86.9 | 0 | 111.8 | E366 Y372 Q411 Y413 L417 L418 E419 | E366-K415 IonicContact OE1-NZ 3.9Å; E366-K415 PolarHBondContact OE1-NZ 3.41Å; Y372-K415 HydrophobicContact CD2-CD 3.78Å; Y372-K415 HydrophobicContact CE1-CD 4.12Å; Y372-K415 HydrophobicContact CE2-CD 3.18Å; Y372-K415 WeakPolarHBondContact OH-CE 3.26Å; Y372-K415 PolarHBondContact OH-NZ 2.98Å; Q411-K415 PolarHBondContact O-N 2.83Å; Q411-K415 VanDerWaalsContact O-N 3.09Å; Y413-K415 PolarHBondContact O-N 3.24Å; K415-L417 PolarHBondContact O-N 2.95Å; K415-L418 WeakPolarHBondContact O-CB 3.35Å; K415-L418 PolarHBondContact O-N 2.84Å; K415-E419 WeakPolarHBondContact CE-OE1 3.3Å; K415-E419 IonicContact NZ-OE1 3.63Å; K415-E419 PolarHBondContact NZ-OE1 3.09Å; K415-E419 IonicContact NZ-OE2 2.74Å; K415-E419 PolarHBondContact O-N 2.96Å |
| 416 | V | 86.3 | Confident | 87.6 | Confident | 69 Ų | 69 | 97.3 Ų | 97.3 | 42% | 0.418 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.5 | -35.2 | -179.7 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | R412 Y413 E419 R420 | R412-V416 WeakPolarHBondContact O-CG2 3.3Å; R412-V416 PolarHBondContact O-N 2.71Å; Y413-V416 PolarHBondContact O-N 3.47Å; V416-E419 PolarHBondContact O-N 2.94Å; V416-R420 WeakPolarHBondContact O-CB 3.39Å; V416-R420 PolarHBondContact O-N 3.2Å |
| 417 | L | 90.9 | Very high | 88.4 | Confident | 48 Ų | 48 | 101.9 Ų | 101.9 | 25% | 0.251 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 173.7 | -178.2 | 63.4 | 0 | 0 | 0 | 112 | Y413 N414 K415 R420 L421 | Y413-L417 HydrophobicContact CE1-CD2 4.25Å; Y413-L417 WeakPolarHBondContact O-CB 3.27Å; Y413-L417 PolarHBondContact O-N 2.81Å; N414-L417 WeakPolarHBondContact O-CB 3.47Å; N414-L417 PolarHBondContact O-N 2.89Å; K415-L417 PolarHBondContact O-N 2.95Å; L417-R420 PolarHBondContact O-N 2.77Å; L417-L421 HydrophobicContact CG-CD1 4.43Å; L417-L421 VanDerWaalsContact O-CG 3.29Å; L417-L421 WeakPolarHBondContact O-CG 3.36Å; L417-L421 PolarHBondContact O-N 3.34Å |
| 418 | L | 88.2 | Confident | 89.2 | Confident | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 176.4 | -73 | 170.1 | 0 | 0 | 0 | 111.6 | N414 K415 R420 L421 C422 | N414-L418 WeakPolarHBondContact O-CG 3.04Å; N414-L418 PolarHBondContact O-N 3.07Å; K415-L418 WeakPolarHBondContact O-CB 3.35Å; K415-L418 PolarHBondContact O-N 2.84Å; L418-R420 VanDerWaalsContact C-N 3.34Å; L418-R420 PolarHBondContact O-N 3.33Å; L418-L421 PolarHBondContact O-N 3.29Å; L418-L421 VanDerWaalsContact O-N 3.16Å; L418-C422 PolarHBondContact O-N 3.31Å; L418-C422 PolarHBondContact O-SG 3.48Å |
| 419 | E | 87.3 | Confident | 90 | Very high | 78 Ų | 78 | 92.7 Ų | 92.7 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 176.8 | -71.3 | 178 | 177.6 | 0 | 0 | 111.6 | K415 V416 L421 C422 L423 | K415-E419 WeakPolarHBondContact CE-OE1 3.3Å; K415-E419 IonicContact NZ-OE1 3.63Å; K415-E419 PolarHBondContact NZ-OE1 3.09Å; K415-E419 IonicContact NZ-OE2 2.74Å; K415-E419 PolarHBondContact O-N 2.96Å; V416-E419 PolarHBondContact O-N 2.94Å; E419-L421 VanDerWaalsContact C-N 3.33Å; E419-L421 PolarHBondContact O-N 2.91Å; E419-C422 PolarHBondContact O-N 2.85Å; E419-L423 WeakPolarHBondContact O-CG 3.28Å; E419-L423 PolarHBondContact O-N 3.43Å |
| 420 | R | 93.6 | Very high | 90.5 | Very high | 134 Ų | 134 | 92.5 Ų | 92.5 | 51% | 0.506 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 174 | -172.1 | -172.4 | 74.1 | -179.1 | 2.1 | 111.5 | V416 L417 L418 C422 L423 E424 | V416-R420 WeakPolarHBondContact O-CB 3.39Å; V416-R420 PolarHBondContact O-N 3.2Å; L417-R420 PolarHBondContact O-N 2.77Å; L418-R420 VanDerWaalsContact C-N 3.34Å; L418-R420 PolarHBondContact O-N 3.33Å; R420-C422 VanDerWaalsContact C-N 3.34Å; R420-L423 PolarHBondContact O-N 2.84Å; R420-E424 IonicContact NE-OE1 3.48Å; R420-E424 WeakPolarHBondContact O-CB 3.36Å; R420-E424 WeakPolarHBondContact O-CG 3.26Å; R420-E424 PolarHBondContact O-N 3.25Å |
| 421 | L | 93.9 | Very high | 91.1 | Very high | 70 Ų | 70 | 89.9 Ų | 89.9 | 37% | 0.366 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 178.5 | -71.1 | 172 | 0 | 0 | 0 | 112.1 | L417 L418 E419 E424 R425 | L417-L421 HydrophobicContact CG-CD1 4.43Å; L417-L421 VanDerWaalsContact O-CG 3.29Å; L417-L421 WeakPolarHBondContact O-CG 3.36Å; L417-L421 PolarHBondContact O-N 3.34Å; L418-L421 PolarHBondContact O-N 3.29Å; L418-L421 VanDerWaalsContact O-N 3.16Å; E419-L421 VanDerWaalsContact C-N 3.33Å; E419-L421 PolarHBondContact O-N 2.91Å; L421-E424 PolarHBondContact O-N 2.85Å; L421-R425 WeakPolarHBondContact O-CG 3.08Å; L421-R425 PolarHBondContact O-N 3.37Å; L421-R425 VanDerWaalsContact O-N 3.11Å |
| 422 | C | 93 | Very high | 91.8 | Very high | 69 Ų | 69 | 91.8 Ų | 91.8 | 47% | 0.466 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63 | -48.9 | 173.4 | -73.3 | 0 | 0 | 0 | 0 | 111.6 | L418 E419 R420 E424 R425 E426 | L418-C422 PolarHBondContact O-N 3.31Å; L418-C422 PolarHBondContact O-SG 3.48Å; E419-C422 PolarHBondContact O-N 2.85Å; R420-C422 VanDerWaalsContact C-N 3.34Å; C422-E424 VanDerWaalsContact C-N 3.3Å; C422-E424 PolarHBondContact O-N 2.9Å; C422-R425 WeakPolarHBondContact O-CB 3.13Å; C422-R425 PolarHBondContact O-N 2.84Å; C422-R425 VanDerWaalsContact O-N 3.12Å; C422-E426 PolarHBondContact O-N 3.29Å |
| 423 | L | 93.6 | Very high | 92.4 | Very high | 111 Ų | 111 | 93.9 Ų | 93.9 | 58% | 0.581 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.7 | -38.5 | 176.9 | -70.8 | 172.1 | 0 | 0 | 0 | 112.3 | E419 R420 R425 E426 R427 | E419-L423 WeakPolarHBondContact O-CG 3.28Å; E419-L423 PolarHBondContact O-N 3.43Å; R420-L423 PolarHBondContact O-N 2.84Å; L423-R425 VanDerWaalsContact C-N 3.35Å; L423-E426 PolarHBondContact O-N 3.35Å; L423-R427 VanDerWaalsContact O-CB 3.26Å; L423-R427 WeakPolarHBondContact O-CB 3.16Å; L423-R427 PolarHBondContact O-N 2.84Å |
| 424 | E | 95.4 | Very high | 92.9 | Very high | 88 Ų | 88 | 92 Ų | 92 | 41% | 0.411 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 175 | -79.2 | 175.6 | -178.4 | 0 | 0 | 112.2 | R420 L421 C422 G428 | R420-E424 IonicContact NE-OE1 3.48Å; R420-E424 WeakPolarHBondContact O-CB 3.36Å; R420-E424 WeakPolarHBondContact O-CG 3.26Å; R420-E424 PolarHBondContact O-N 3.25Å; L421-E424 PolarHBondContact O-N 2.85Å; C422-E424 VanDerWaalsContact C-N 3.3Å; C422-E424 PolarHBondContact O-N 2.9Å; E424-G428 PolarHBondContact O-N 2.84Å |
| 425 | R | 95.2 | Very high | 93.3 | Very high | 198 Ų | 198 | 94 Ų | 94 | 75% | 0.747 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.3 | -47 | 175.6 | -73.2 | 177.2 | -179.1 | -178.9 | 2 | 111.9 | L421 C422 L423 G428 A429 | L421-R425 WeakPolarHBondContact O-CG 3.08Å; L421-R425 PolarHBondContact O-N 3.37Å; L421-R425 VanDerWaalsContact O-N 3.11Å; C422-R425 WeakPolarHBondContact O-CB 3.13Å; C422-R425 PolarHBondContact O-N 2.84Å; C422-R425 VanDerWaalsContact O-N 3.12Å; L423-R425 VanDerWaalsContact C-N 3.35Å; R425-G428 WeakPolarHBondContact O-CA 3.11Å; R425-G428 PolarHBondContact O-N 3.3Å; R425-G428 VanDerWaalsContact O-N 3.1Å; R425-A429 PolarHBondContact O-N 3.09Å |
| 426 | E | 95.4 | Very high | 93.7 | Very high | 119 Ų | 119 | 97.7 Ų | 97.7 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 177.4 | -73.2 | -180 | 177.7 | 0 | 0 | 111.7 | C422 L423 G428 A429 L430 | C422-E426 PolarHBondContact O-N 3.29Å; L423-E426 PolarHBondContact O-N 3.35Å; E426-G428 VanDerWaalsContact C-N 3.26Å; E426-G428 PolarHBondContact O-N 3.27Å; E426-A429 PolarHBondContact O-N 2.87Å; E426-L430 WeakPolarHBondContact O-CB 3.34Å; E426-L430 WeakPolarHBondContact O-CG 3.39Å; E426-L430 PolarHBondContact O-N 3.43Å |
| 427 | R | 96.3 | Very high | 94.1 | Very high | 169 Ų | 169 | 99.8 Ų | 99.8 | 64% | 0.638 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.7 | -44.1 | 172.5 | -171.7 | -171.6 | 72.9 | -178.6 | -0.1 | 110.5 | L423 L430 T431 | L423-R427 VanDerWaalsContact O-CB 3.26Å; L423-R427 WeakPolarHBondContact O-CB 3.16Å; L423-R427 PolarHBondContact O-N 2.84Å; R427-L430 PolarHBondContact O-N 2.95Å; R427-T431 HydrophobicContact CG-CG2 4.41Å; R427-T431 WeakPolarHBondContact O-CB 3.29Å; R427-T431 WeakPolarHBondContact O-CG2 3.44Å; R427-T431 PolarHBondContact O-N 2.79Å; R427-T431 PolarHBondContact O-OG1 3.25Å; R427-T431 VanDerWaalsContact O-OG1 3.1Å |
| 428 | G | 96.1 | Very high | 94.2 | Very high | 24 Ų | 24 | 105.8 Ų | 105.8 | 25% | 0.247 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -55.3 | -52 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E424 R425 E426 T431 Q432 | E424-G428 PolarHBondContact O-N 2.84Å; R425-G428 WeakPolarHBondContact O-CA 3.11Å; R425-G428 PolarHBondContact O-N 3.3Å; R425-G428 VanDerWaalsContact O-N 3.1Å; E426-G428 VanDerWaalsContact C-N 3.26Å; E426-G428 PolarHBondContact O-N 3.27Å; G428-T431 PolarHBondContact O-N 3.21Å; G428-T431 PolarHBondContact O-OG1 2.9Å; G428-Q432 WeakPolarHBondContact O-CG 3.17Å; G428-Q432 PolarHBondContact O-N 3.27Å; G428-Q432 VanDerWaalsContact O-N 3.08Å |
| 429 | A | 94.8 | Very high | 94.4 | Very high | 44 Ų | 44 | 105.1 Ų | 105.1 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R425 E426 T431 Q432 E433 | R425-A429 PolarHBondContact O-N 3.09Å; E426-A429 PolarHBondContact O-N 2.87Å; A429-T431 VanDerWaalsContact C-N 3.28Å; A429-T431 PolarHBondContact O-N 3.43Å; A429-Q432 WeakPolarHBondContact O-CB 3.41Å; A429-Q432 PolarHBondContact O-N 3.14Å; A429-Q432 VanDerWaalsContact O-N 3.08Å; A429-E433 PolarHBondContact O-N 3.2Å |
| 430 | L | 95.8 | Very high | 94.6 | Very high | 108 Ų | 108 | 106.2 Ų | 106.2 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -36.3 | 178.2 | -72.1 | 172.4 | 0 | 0 | 0 | 112.4 | E426 R427 N434 | E426-L430 WeakPolarHBondContact O-CB 3.34Å; E426-L430 WeakPolarHBondContact O-CG 3.39Å; E426-L430 PolarHBondContact O-N 3.43Å; R427-L430 PolarHBondContact O-N 2.95Å; L430-N434 VanDerWaalsContact O-CB 3.27Å; L430-N434 WeakPolarHBondContact O-CB 3.5Å; L430-N434 PolarHBondContact O-N 2.88Å |
| 431 | T | 96.3 | Very high | 94.4 | Very high | 66 Ų | 66 | 104.8 Ų | 104.8 | 41% | 0.405 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 175.3 | 56.1 | 0 | 0 | 0 | 0 | 112.4 | R427 G428 A429 N434 Q435 | R427-T431 HydrophobicContact CG-CG2 4.41Å; R427-T431 WeakPolarHBondContact O-CB 3.29Å; R427-T431 WeakPolarHBondContact O-CG2 3.44Å; R427-T431 PolarHBondContact O-N 2.79Å; R427-T431 PolarHBondContact O-OG1 3.25Å; R427-T431 VanDerWaalsContact O-OG1 3.1Å; G428-T431 PolarHBondContact O-N 3.21Å; G428-T431 PolarHBondContact O-OG1 2.9Å; A429-T431 VanDerWaalsContact C-N 3.28Å; A429-T431 PolarHBondContact O-N 3.43Å; T431-N434 PolarHBondContact O-N 2.97Å; T431-Q435 VanDerWaalsContact O-CG 3.25Å; T431-Q435 WeakPolarHBondContact O-CG 3.21Å; T431-Q435 PolarHBondContact O-N 2.86Å |
| 432 | Q | 95.5 | Very high | 94 | Very high | 120 Ų | 120 | 108.4 Ų | 108.4 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67 | -45 | 174.9 | -69.1 | 174.7 | 8.7 | 0 | 0 | 111.2 | G428 A429 N434 Q435 Q436 | G428-Q432 WeakPolarHBondContact O-CG 3.17Å; G428-Q432 PolarHBondContact O-N 3.27Å; G428-Q432 VanDerWaalsContact O-N 3.08Å; A429-Q432 WeakPolarHBondContact O-CB 3.41Å; A429-Q432 PolarHBondContact O-N 3.14Å; A429-Q432 VanDerWaalsContact O-N 3.08Å; Q432-N434 VanDerWaalsContact C-N 3.34Å; Q432-N434 PolarHBondContact O-N 3.49Å; Q432-Q435 WeakPolarHBondContact O-CB 3.35Å; Q432-Q435 PolarHBondContact O-N 2.85Å; Q432-Q436 WeakPolarHBondContact O-CG 3.12Å; Q432-Q436 PolarHBondContact O-N 3.05Å |
| 433 | E | 95.3 | Very high | 93.4 | Very high | 106 Ų | 106 | 110.6 Ų | 110.6 | 50% | 0.495 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 174.3 | -72 | 178.8 | -178.1 | 0 | 0 | 111.4 | A429 Q435 Q436 L437 | A429-E433 PolarHBondContact O-N 3.2Å; E433-Q435 VanDerWaalsContact C-N 3.32Å; E433-Q435 PolarHBondContact O-N 2.92Å; E433-Q436 WeakPolarHBondContact O-CB 3.48Å; E433-Q436 PolarHBondContact O-N 3.33Å; E433-L437 WeakPolarHBondContact O-CB 3.36Å; E433-L437 WeakPolarHBondContact O-CG 3.28Å; E433-L437 PolarHBondContact O-N 3.26Å |
| 434 | N | 95.8 | Very high | 92.9 | Very high | 77 Ų | 77 | 112.9 Ų | 112.9 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 176.9 | -161.1 | -79.4 | 0 | 0 | 0 | 111.7 | L430 T431 Q432 L437 R438 | L430-N434 VanDerWaalsContact O-CB 3.27Å; L430-N434 WeakPolarHBondContact O-CB 3.5Å; L430-N434 PolarHBondContact O-N 2.88Å; T431-N434 PolarHBondContact O-N 2.97Å; Q432-N434 VanDerWaalsContact C-N 3.34Å; Q432-N434 PolarHBondContact O-N 3.49Å; N434-L437 PolarHBondContact O-N 2.93Å; N434-R438 WeakPolarHBondContact O-CB 3.33Å; N434-R438 VanDerWaalsContact O-CG 3.26Å; N434-R438 WeakPolarHBondContact O-CG 3.22Å; N434-R438 PolarHBondContact O-N 3.21Å; N434-R438 PolarHBondContact OD1-NE 2.78Å |
| 435 | Q | 95.8 | Very high | 92.3 | Very high | 122 Ų | 122 | 113.1 Ų | 113.1 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 173.8 | -74.3 | 171 | 9.9 | 0 | 0 | 111.4 | T431 Q432 E433 R438 I439 | T431-Q435 VanDerWaalsContact O-CG 3.25Å; T431-Q435 WeakPolarHBondContact O-CG 3.21Å; T431-Q435 PolarHBondContact O-N 2.86Å; Q432-Q435 WeakPolarHBondContact O-CB 3.35Å; Q432-Q435 PolarHBondContact O-N 2.85Å; E433-Q435 VanDerWaalsContact C-N 3.32Å; E433-Q435 PolarHBondContact O-N 2.92Å; Q435-R438 PolarHBondContact O-N 3.44Å; Q435-I439 VanDerWaalsContact O-CG1 3.27Å; Q435-I439 WeakPolarHBondContact O-CG1 3.42Å; Q435-I439 PolarHBondContact O-N 3.05Å |
| 436 | Q | 94.3 | Very high | 91.4 | Very high | 121 Ų | 121 | 106.1 Ų | 106.1 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 176.4 | -71 | 174.2 | 1.6 | 0 | 0 | 111.8 | Q432 E433 R438 I439 L440 | Q432-Q436 WeakPolarHBondContact O-CG 3.12Å; Q432-Q436 PolarHBondContact O-N 3.05Å; E433-Q436 WeakPolarHBondContact O-CB 3.48Å; E433-Q436 PolarHBondContact O-N 3.33Å; Q436-R438 VanDerWaalsContact C-N 3.34Å; Q436-R438 PolarHBondContact O-N 2.8Å; Q436-I439 PolarHBondContact O-N 3.24Å; Q436-L440 WeakPolarHBondContact O-CG 3.35Å; Q436-L440 PolarHBondContact O-N 3.49Å |
| 437 | L | 94.4 | Very high | 90.3 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 176.2 | -71.5 | 173.6 | 0 | 0 | 0 | 111.8 | E433 N434 L440 L441 | E433-L437 WeakPolarHBondContact O-CB 3.36Å; E433-L437 WeakPolarHBondContact O-CG 3.28Å; E433-L437 PolarHBondContact O-N 3.26Å; N434-L437 PolarHBondContact O-N 2.93Å; L437-L440 PolarHBondContact O-N 2.74Å; L437-L441 VanDerWaalsContact O-CB 3.26Å; L437-L441 WeakPolarHBondContact O-CB 3.27Å; L437-L441 PolarHBondContact O-N 2.99Å |
| 438 | R | 93.3 | Very high | 89.2 | Confident | 175 Ų | 175 | 100.4 Ų | 100.4 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 173.6 | -75.1 | 175.1 | -176 | -123.5 | 0.4 | 112.1 | N434 Q435 Q436 R442 | N434-R438 WeakPolarHBondContact O-CB 3.33Å; N434-R438 VanDerWaalsContact O-CG 3.26Å; N434-R438 WeakPolarHBondContact O-CG 3.22Å; N434-R438 PolarHBondContact O-N 3.21Å; N434-R438 PolarHBondContact OD1-NE 2.78Å; Q435-R438 PolarHBondContact O-N 3.44Å; Q436-R438 VanDerWaalsContact C-N 3.34Å; Q436-R438 PolarHBondContact O-N 2.8Å; R438-R442 WeakPolarHBondContact O-CB 3.29Å; R438-R442 PolarHBondContact O-N 3.31Å |
| 439 | I | 92.2 | Very high | 87.9 | Confident | 97 Ų | 97 | 101.8 Ų | 101.8 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 175.5 | -68.4 | 163.2 | 0 | 0 | 0 | 110.2 | Q435 Q436 R442 Q443 | Q435-I439 VanDerWaalsContact O-CG1 3.27Å; Q435-I439 WeakPolarHBondContact O-CG1 3.42Å; Q435-I439 PolarHBondContact O-N 3.05Å; Q436-I439 PolarHBondContact O-N 3.24Å; I439-R442 WeakPolarHBondContact O-CB 3.17Å; I439-R442 PolarHBondContact O-N 3.14Å; I439-Q443 WeakPolarHBondContact O-CG 3.32Å; I439-Q443 PolarHBondContact O-N 2.84Å |
| 440 | L | 90.3 | Very high | 86.3 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.2 | -74 | 169.4 | 0 | 0 | 0 | 112 | Q436 L437 R442 Q443 Y444 | Q436-L440 WeakPolarHBondContact O-CG 3.35Å; Q436-L440 PolarHBondContact O-N 3.49Å; L437-L440 PolarHBondContact O-N 2.74Å; L440-R442 VanDerWaalsContact C-N 3.34Å; L440-Q443 PolarHBondContact O-N 2.87Å; L440-Y444 WeakPolarHBondContact O-CB 3.44Å; L440-Y444 PolarHBondContact O-N 3.19Å |
| 441 | L | 89.2 | Confident | 84.8 | Confident | 105 Ų | 105 | 101.9 Ų | 101.9 | 55% | 0.55 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 174.8 | -169.3 | 84.7 | 0 | 0 | 0 | 110.6 | L437 Y444 L445 | L437-L441 VanDerWaalsContact O-CB 3.26Å; L437-L441 WeakPolarHBondContact O-CB 3.27Å; L437-L441 PolarHBondContact O-N 2.99Å; L441-Y444 PolarHBondContact O-N 2.59Å; L441-L445 HydrophobicContact CD2-CD1 4.43Å; L441-L445 HydrophobicContact CG-CD1 4.28Å; L441-L445 WeakPolarHBondContact O-CB 3.28Å; L441-L445 VanDerWaalsContact O-CG 3.3Å; L441-L445 WeakPolarHBondContact O-CG 3.37Å; L441-L445 PolarHBondContact O-N 2.84Å |
| 442 | R | 86.3 | Confident | 83.4 | Confident | 145 Ų | 145 | 103.5 Ų | 103.5 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 174.3 | -176.3 | 174.9 | 179.7 | 170.5 | 2.9 | 110.8 | R438 I439 L440 Y444 L445 D446 E453 | R438-R442 WeakPolarHBondContact O-CB 3.29Å; R438-R442 PolarHBondContact O-N 3.31Å; I439-R442 WeakPolarHBondContact O-CB 3.17Å; I439-R442 PolarHBondContact O-N 3.14Å; L440-R442 VanDerWaalsContact C-N 3.34Å; R442-Y444 VanDerWaalsContact C-N 3.3Å; R442-Y444 PolarHBondContact O-N 3.22Å; R442-L445 PolarHBondContact O-N 3.48Å; R442-D446 WeakPolarHBondContact CG-OD2 3.41Å; R442-D446 IonicContact NE-OD2 3.61Å; R442-D446 VanDerWaalsContact O-CB 3.27Å; R442-D446 WeakPolarHBondContact O-CB 3.39Å; R442-D446 PolarHBondContact O-N 3.34Å; R442-E453 IonicContact NH2-OE2 3.78Å; R442-E453 PolarHBondContact NH2-OE2 3.31Å |
| 443 | Q | 81.4 | Confident | 82 | Confident | 115 Ų | 115 | 103.3 Ų | 103.3 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 175.6 | -72.8 | 174.3 | -1 | 0 | 0 | 112.9 | I439 L440 G447 | I439-Q443 WeakPolarHBondContact O-CG 3.32Å; I439-Q443 PolarHBondContact O-N 2.84Å; L440-Q443 PolarHBondContact O-N 2.87Å; Q443-G447 PolarHBondContact O-N 2.84Å |
| 444 | Y | 82.9 | Confident | 80.5 | Confident | 159 Ų | 159 | 98.9 Ų | 98.9 | 62% | 0.624 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.4 | -44.3 | 176.8 | -178.6 | -99.7 | 0 | 0 | 0 | 111.9 | L440 L441 R442 D446 G447 I448 | L440-Y444 WeakPolarHBondContact O-CB 3.44Å; L440-Y444 PolarHBondContact O-N 3.19Å; L441-Y444 PolarHBondContact O-N 2.59Å; R442-Y444 VanDerWaalsContact C-N 3.3Å; R442-Y444 PolarHBondContact O-N 3.22Å; Y444-D446 VanDerWaalsContact C-N 3.33Å; Y444-G447 PolarHBondContact O-N 3.49Å; Y444-G447 VanDerWaalsContact O-N 3.14Å; Y444-I448 HydrophobicContact CD1-CD1 3.7Å; Y444-I448 HydrophobicContact CD2-CD1 4.36Å; Y444-I448 HydrophobicContact CE1-CD1 3.2Å; Y444-I448 HydrophobicContact CE2-CD1 3.94Å; Y444-I448 HydrophobicContact CG-CD1 4.26Å; Y444-I448 WeakPolarHBondContact O-CG1 3.18Å; Y444-I448 PolarHBondContact O-N 2.85Å |
| 445 | L | 81.9 | Confident | 79 | Confident | 94 Ų | 94 | 98.6 Ų | 98.6 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 175 | -69.3 | 173.4 | 0 | 0 | 0 | 111.7 | L441 R442 G447 I448 S449 | L441-L445 HydrophobicContact CD2-CD1 4.43Å; L441-L445 HydrophobicContact CG-CD1 4.28Å; L441-L445 WeakPolarHBondContact O-CB 3.28Å; L441-L445 VanDerWaalsContact O-CG 3.3Å; L441-L445 WeakPolarHBondContact O-CG 3.37Å; L441-L445 PolarHBondContact O-N 2.84Å; R442-L445 PolarHBondContact O-N 3.48Å; L445-G447 VanDerWaalsContact C-N 3.29Å; L445-I448 PolarHBondContact O-N 3.04Å; L445-S449 WeakPolarHBondContact O-CB 3.3Å; L445-S449 PolarHBondContact O-N 3.22Å; L445-S449 PolarHBondContact O-OG 3.43Å |
| 446 | D | 75.5 | Confident | 77.7 | Confident | 50 Ų | 50 | 101.8 Ų | 101.8 | 27% | 0.267 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -28.7 | 173 | -69.7 | -14.5 | 0 | 0 | 0 | 111.4 | R442 Y444 I448 S449 I454 | R442-D446 WeakPolarHBondContact CG-OD2 3.41Å; R442-D446 IonicContact NE-OD2 3.61Å; R442-D446 VanDerWaalsContact O-CB 3.27Å; R442-D446 WeakPolarHBondContact O-CB 3.39Å; R442-D446 PolarHBondContact O-N 3.34Å; Y444-D446 VanDerWaalsContact C-N 3.33Å; D446-I448 VanDerWaalsContact C-N 3.31Å; D446-I448 PolarHBondContact O-N 2.79Å; D446-S449 VanDerWaalsContact O-O 3.12Å; D446-I454 HydrophobicContact CB-CD1 3.81Å; D446-I454 HydrophobicContact CB-CG1 3.87Å; D446-I454 WeakPolarHBondContact O-CD1 3.46Å |
| 447 | G | 72.3 | Confident | 76.2 | Confident | 58 Ų | 58 | 102.5 Ų | 102.5 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.9 | -24.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q443 Y444 L445 | Q443-G447 PolarHBondContact O-N 2.84Å; Y444-G447 PolarHBondContact O-N 3.49Å; Y444-G447 VanDerWaalsContact O-N 3.14Å; L445-G447 VanDerWaalsContact C-N 3.29Å |
| 448 | I | 73.4 | Confident | 74.6 | Confident | 110 Ų | 110 | 109.4 Ų | 109.4 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -103.2 | -32.9 | -175.1 | -63.5 | 166.8 | 0 | 0 | 0 | 112.1 | Y444 L445 D446 | Y444-I448 HydrophobicContact CD1-CD1 3.7Å; Y444-I448 HydrophobicContact CD2-CD1 4.36Å; Y444-I448 HydrophobicContact CE1-CD1 3.2Å; Y444-I448 HydrophobicContact CE2-CD1 3.94Å; Y444-I448 HydrophobicContact CG-CD1 4.26Å; Y444-I448 WeakPolarHBondContact O-CG1 3.18Å; Y444-I448 PolarHBondContact O-N 2.85Å; L445-I448 PolarHBondContact O-N 3.04Å; D446-I448 VanDerWaalsContact C-N 3.31Å; D446-I448 PolarHBondContact O-N 2.79Å |
| 449 | S | 68.9 | Low | 73.1 | Confident | 53 Ų | 53 | 102.7 Ų | 102.7 | 37% | 0.371 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -93 | 143.7 | 178.2 | 68.4 | 0 | 0 | 0 | 0 | 111.1 | L445 D446 I454 | L445-S449 WeakPolarHBondContact O-CB 3.3Å; L445-S449 PolarHBondContact O-N 3.22Å; L445-S449 PolarHBondContact O-OG 3.43Å; D446-S449 VanDerWaalsContact O-O 3.12Å; S449-I454 WeakPolarHBondContact O-CD1 3.43Å |
| 450 | V | 62.6 | Low | 71.8 | Confident | 107 Ų | 107 | 104 Ų | 104 | 65% | 0.648 | 52% | 0.518 | S | S | * | . | trans | -101.3 | 98.6 | 173 | -175.6 | 0 | 0 | 0 | 0 | 107.8 | L455 L461 | V450-L455 HydrophobicContact CG1-CD2 4.5Å; V450-L461 HydrophobicContact CG2-CD1 4.24Å | ||
| 451 | S | 63.1 | Low | 70.5 | Confident | 47 Ų | 47 | 104 Ų | 104 | 33% | 0.329 | 52% | 0.518 | S | S | . | . | trans | -122.6 | 155.4 | 178 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | E453 I454 L455 | S451-E453 PolarHBondContact O-N 2.92Å; S451-I454 WeakPolarHBondContact O-CB 3.29Å; S451-I454 PolarHBondContact O-N 2.82Å; S451-I454 WeakPolarHBondContact OG-CD1 3.2Å; S451-L455 PolarHBondContact O-N 2.81Å | ||
| 452 | D | 67 | Low | 69.1 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -23.7 | -168.2 | -159.2 | 46 | 0 | 0 | 0 | 113.5 | R456 | D452-R456 WeakPolarHBondContact O-CG 3.48Å; D452-R456 IonicContact OD2-CZ 2.58Å; D452-R456 IonicContact OD2-NE 2.81Å; D452-R456 IonicContact OD2-NH2 2.66Å; D452-R456 PolarHBondContact OD2-NH2 3.45Å |
| 453 | E | 67.6 | Low | 67.7 | Low | 116 Ų | 116 | 105.1 Ų | 105.1 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68 | -35.8 | 173 | -68.3 | -173.1 | 174.8 | 0 | 0 | 112.2 | R442 S451 H457 | R442-E453 IonicContact NH2-OE2 3.78Å; R442-E453 PolarHBondContact NH2-OE2 3.31Å; S451-E453 PolarHBondContact O-N 2.92Å; E453-H457 PolarHBondContact O-ND1 3.06Å |
| 454 | I | 62.9 | Low | 66.4 | Low | 14 Ų | 14 | 105.4 Ų | 105.4 | 7% | 0.072 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -68.1 | -54.1 | -178.6 | -61.1 | 156.1 | 0 | 0 | 0 | 107.8 | D446 S449 S451 R456 H457 N459 | D446-I454 HydrophobicContact CB-CD1 3.81Å; D446-I454 HydrophobicContact CB-CG1 3.87Å; D446-I454 WeakPolarHBondContact O-CD1 3.46Å; S449-I454 WeakPolarHBondContact O-CD1 3.43Å; S451-I454 WeakPolarHBondContact O-CB 3.29Å; S451-I454 PolarHBondContact O-N 2.82Å; S451-I454 WeakPolarHBondContact OG-CD1 3.2Å; I454-R456 PolarHBondContact O-N 3.39Å; I454-H457 PolarHBondContact O-N 2.8Å; I454-N459 HydrophobicContact CG2-CB 4.14Å; I454-N459 VanDerWaalsContact CG2-CG 3.48Å; I454-N459 PolarHBondContact O-ND2 3.32Å; I454-N459 PolarHBondContact O-OD1 3.33Å |
| 455 | L | 64.6 | Low | 64.5 | Low | 70 Ų | 70 | 103.3 Ų | 103.3 | 37% | 0.366 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -54.2 | -18.6 | -177.4 | -61.7 | 172.5 | 0 | 0 | 0 | 115.4 | V450 S451 L462 | V450-L455 HydrophobicContact CG1-CD2 4.5Å; S451-L455 PolarHBondContact O-N 2.81Å; L455-L462 HydrophobicContact CD2-CD1 3.86Å |
| 456 | R | 68 | Low | 62.7 | Low | 190 Ų | 190 | 109.4 Ų | 109.4 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -22.4 | 175.3 | -65.3 | 175.1 | -168.8 | -170.3 | 4.4 | 114.2 | D452 I454 | D452-R456 WeakPolarHBondContact O-CG 3.48Å; D452-R456 IonicContact OD2-CZ 2.58Å; D452-R456 IonicContact OD2-NE 2.81Å; D452-R456 IonicContact OD2-NH2 2.66Å; D452-R456 PolarHBondContact OD2-NH2 3.45Å; I454-R456 PolarHBondContact O-N 3.39Å |
| 457 | H | 63.5 | Low | 61.3 | Low | 136 Ų | 136 | 113 Ų | 113 | 63% | 0.63 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -97 | 168.7 | 178.7 | -62.1 | 83.4 | 0 | 0 | 0 | 111 | E453 I454 N459 | E453-H457 PolarHBondContact O-ND1 3.06Å; I454-H457 PolarHBondContact O-N 2.8Å; H457-N459 PolarHBondContact O-N 2.8Å; H457-N459 PolarHBondContact O-ND2 2.87Å; H457-N459 PolarHBondContact O-OD1 3.45Å |
| 458 | R | 60.3 | Low | 59.7 | Low | 256 Ų | 256 | 116 Ų | 116 | 97% | 0.966 | 60% | 0.599 | S | S | * | * | trans | -71 | 111 | 175.7 | -86.3 | -175 | 172.7 | -173.5 | -1.8 | 109.6 | ||||
| 459 | N | 62.2 | Low | 58.4 | Low | 35 Ų | 35 | 119.3 Ų | 119.3 | 19% | 0.187 | 62% | 0.616 | C | S | . | * | trans | -133.3 | 156.1 | -180 | -29.1 | -67.6 | 0 | 0 | 0 | 111.9 | I454 H457 L461 L462 | I454-N459 HydrophobicContact CG2-CB 4.14Å; I454-N459 VanDerWaalsContact CG2-CG 3.48Å; I454-N459 PolarHBondContact O-ND2 3.32Å; I454-N459 PolarHBondContact O-OD1 3.33Å; H457-N459 PolarHBondContact O-N 2.8Å; H457-N459 PolarHBondContact O-ND2 2.87Å; H457-N459 PolarHBondContact O-OD1 3.45Å; N459-L461 PolarHBondContact O-N 3.11Å; N459-L461 VanDerWaalsContact O-N 3.14Å; N459-L462 PolarHBondContact O-N 2.82Å | ||
| 460 | P | 65 | Low | 56.9 | Low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -14.3 | 178.7 | 26.4 | -35.3 | 0 | 0 | 0 | 114.4 | ||
| 461 | L | 63 | Low | 55.7 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 53% | 0.529 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.2 | -22 | 179.1 | -63.4 | 172.3 | 0 | 0 | 0 | 113.8 | V450 N459 | V450-L461 HydrophobicContact CG2-CD1 4.24Å; N459-L461 PolarHBondContact O-N 3.11Å; N459-L461 VanDerWaalsContact O-N 3.14Å |
| 462 | L | 58.8 | Low | 54.7 | Low | 101 Ų | 101 | 127.8 Ų | 127.8 | 53% | 0.529 | 66% | 0.662 | S | S | . | * | trans | -135.6 | 82.8 | 178.2 | -100.3 | 163.7 | 0 | 0 | 0 | 109.1 | L455 N459 V464 | L455-L462 HydrophobicContact CD2-CD1 3.86Å; N459-L462 PolarHBondContact O-N 2.82Å; L462-V464 PolarHBondContact O-N 2.98Å | ||
| 463 | M | 57 | Low | 53.3 | Low | 171 Ų | 171 | 128.7 Ų | 128.7 | 84% | 0.842 | 67% | 0.674 | S | S | * | * | trans | -76.2 | 91.7 | 170.6 | -70.6 | -161.5 | -43.8 | 0 | 0 | 110.1 | S465 | M463-S465 PolarHBondContact O-N 3.45Š| ||
| 464 | V | 54 | Low | 52.5 | Low | 122 Ų | 122 | 129.6 Ų | 129.6 | 74% | 0.739 | 69% | 0.687 | S | S | * | * | trans | -77.5 | 105.4 | 167.9 | -177.2 | 0 | 0 | 0 | 0 | 108 | L462 R466 | L462-V464 PolarHBondContact O-N 2.98Å; V464-R466 PolarHBondContact O-N 2.88Å; V464-R466 VanDerWaalsContact O-N 3.1Å | ||
| 465 | S | 42.6 | Very low | 51.2 | Low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -62.4 | 108.1 | 175.2 | 45 | 0 | 0 | 0 | 0 | 110.7 | M463 | M463-S465 PolarHBondContact O-N 3.45Š| ||
| 466 | R | 44.6 | Very low | 50.1 | Low | 222 Ų | 222 | 138 Ų | 138 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | trans | -127 | 130.2 | 149.7 | -88.9 | -173.2 | 174.5 | 172.3 | -0.8 | 109 | V464 T468 | V464-R466 PolarHBondContact O-N 2.88Å; V464-R466 VanDerWaalsContact O-N 3.1Å; R466-T468 PolarHBondContact O-N 2.84Å | ||
| 467 | P | 46.8 | Very low | 48.8 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | trans | -76.6 | 124.7 | -179.9 | 32.1 | -30 | 0 | 0 | 0 | 108.1 | ||||
| 468 | T | 37.3 | Very low | 47.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | -142.2 | 113 | 154.1 | 31.8 | 0 | 0 | 0 | 0 | 108.9 | R466 A470 | R466-T468 PolarHBondContact O-N 2.84Å; T468-A470 PolarHBondContact O-N 3.1Å | ||
| 469 | L | 45.7 | Very low | 46.9 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 94% | 0.937 | 75% | 0.752 | S | S | * | * | trans | -51.1 | 111.9 | 154.3 | -74.6 | 117.5 | 0 | 0 | 0 | 108.3 | ||||
| 470 | A | 38.2 | Very low | 46 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -137.2 | 102 | 158.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | T468 | T468-A470 PolarHBondContact O-N 3.1Š| ||
| 471 | V | 37.3 | Very low | 44.8 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -42.6 | 131.3 | 171.4 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | P473 | V471-P473 WeakPolarHBondContact O-CD 3.41Š| ||
| 472 | Q | 41.5 | Very low | 43.9 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -59.4 | 124.9 | 162.1 | -69.5 | -177.5 | -21.2 | 0 | 0 | 108.5 | T474 | Q472-T474 PolarHBondContact O-N 3.25Å; Q472-T474 VanDerWaalsContact O-N 3.09Å | ||
| 473 | P | 38.9 | Very low | 42.9 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -77.8 | 96.6 | 164.8 | 30.2 | -27 | 0 | 0 | 0 | 108 | V471 A475 | V471-P473 WeakPolarHBondContact O-CD 3.41Å; P473-A475 PolarHBondContact O-N 3.4Å; P473-A475 VanDerWaalsContact O-N 3.09Å | ||
| 474 | T | 50.2 | Low | 42.1 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -66.7 | 92.2 | 148.3 | 40.5 | 0 | 0 | 0 | 0 | 107 | Q472 | Q472-T474 PolarHBondContact O-N 3.25Å; Q472-T474 VanDerWaalsContact O-N 3.09Å | ||
| 475 | A | 35.6 | Very low | 41.5 | Very low | 85 Ų | 85 | 150.3 Ų | 150.3 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -106.2 | 73.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P473 | P473-A475 PolarHBondContact O-N 3.4Å; P473-A475 VanDerWaalsContact O-N 3.09Å | ||
| 476 | D | 41.5 | Very low | 41.4 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -87.8 | 88.7 | 143.1 | -105.1 | -19.1 | 0 | 0 | 0 | 107.1 | ||||
| 477 | A | 40.8 | Very low | 41 | Very low | 83 Ų | 83 | 147.5 Ų | 147.5 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -152.9 | 97.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 478 | Q | 45.5 | Very low | 40.8 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | 56.7 | 73.6 | 150.4 | -63.8 | 177.5 | -23.4 | 0 | 0 | 117.1 | K480 | Q478-K480 PolarHBondContact O-N 2.96Š| ||
| 479 | R | 38.8 | Very low | 41.2 | Very low | 240 Ų | 240 | 148 Ų | 148 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 112.2 | 142.5 | -81.1 | -178.2 | 176.1 | 174.9 | -0.6 | 107.6 | R481 | R479-R481 PolarHBondContact O-N 3.44Š| ||
| 480 | K | 43.1 | Very low | 40.8 | Very low | 189 Ų | 189 | 145.2 Ų | 145.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -47.3 | 106.1 | 163.6 | -73.8 | 176 | 177.3 | 177.1 | 0 | 107.7 | Q478 H482 | Q478-K480 PolarHBondContact O-N 2.96Å; K480-H482 PolarHBondContact O-N 2.82Å; K480-H482 VanDerWaalsContact O-N 3.12Å | ||
| 481 | R | 39.9 | Very low | 40.8 | Very low | 234 Ų | 234 | 147.1 Ų | 147.1 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -65.3 | 107.3 | 162.4 | -71.5 | -179.6 | 176 | -179.6 | -1.9 | 105.3 | R479 T483 | R479-R481 PolarHBondContact O-N 3.44Å; R481-T483 PolarHBondContact O-N 2.85Å | ||
| 482 | H | 43.8 | Very low | 40.8 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -65.6 | 110.9 | 152.5 | -72.9 | -67 | 0 | 0 | 0 | 105.6 | K480 V484 | K480-H482 PolarHBondContact O-N 2.82Å; K480-H482 VanDerWaalsContact O-N 3.12Å; H482-V484 PolarHBondContact O-N 3.4Å | ||
| 483 | T | 38.5 | Very low | 40.8 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -60.3 | 91.2 | 158.2 | 21.1 | 0 | 0 | 0 | 0 | 107 | R481 I485 | R481-T483 PolarHBondContact O-N 2.85Å; T483-I485 VanDerWaalsContact C-N 3.27Å; T483-I485 PolarHBondContact O-N 3.35Å | ||
| 484 | V | 40.4 | Very low | 40.8 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -76.7 | 95.9 | 153.3 | 179.8 | 0 | 0 | 0 | 0 | 104.2 | H482 E486 | H482-V484 PolarHBondContact O-N 3.4Å; V484-E486 PolarHBondContact O-N 3.24Å | ||
| 485 | I | 39.6 | Very low | 40.1 | Very low | 142 Ų | 142 | 155.4 Ų | 155.4 | 73% | 0.728 | 81% | 0.811 | S | S | * | * | trans | -67.7 | 113.3 | 162.4 | -63.8 | 170.6 | 0 | 0 | 0 | 104.3 | T483 A487 | T483-I485 VanDerWaalsContact C-N 3.27Å; T483-I485 PolarHBondContact O-N 3.35Å; I485-A487 VanDerWaalsContact C-N 3.31Å; I485-A487 PolarHBondContact O-N 3.24Å | ||
| 486 | E | 42.3 | Very low | 40.4 | Very low | 183 Ų | 183 | 159 Ų | 159 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -56.7 | 101.5 | 162 | -70.7 | 179.5 | 164.2 | 0 | 0 | 107 | V484 A488 | V484-E486 PolarHBondContact O-N 3.24Å; E486-A488 VanDerWaalsContact C-N 3.32Å; E486-A488 PolarHBondContact O-N 3.44Å | ||
| 487 | A | 35.1 | Very low | 40.3 | Very low | 95 Ų | 95 | 158.1 Ų | 158.1 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -70.5 | 99.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | I485 H489 | I485-A487 VanDerWaalsContact C-N 3.31Å; I485-A487 PolarHBondContact O-N 3.24Å; A487-H489 PolarHBondContact O-N 3.38Å | ||
| 488 | A | 42.7 | Very low | 40.3 | Very low | 80 Ų | 80 | 162.3 Ų | 162.3 | 66% | 0.661 | 82% | 0.817 | S | S | * | * | trans | -47.3 | 132.4 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E486 | E486-A488 VanDerWaalsContact C-N 3.32Å; E486-A488 PolarHBondContact O-N 3.44Å | ||
| 489 | H | 45.8 | Very low | 40 | Very low | 179 Ų | 179 | 160.6 Ų | 160.6 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | trans | 36.7 | 97.1 | 145.4 | -73.7 | -115.9 | 0 | 0 | 0 | 116.9 | A487 | A487-H489 PolarHBondContact O-N 3.38Š| ||
| 490 | V | 38 | Very low | 40 | Very low | 120 Ų | 120 | 155.6 Ų | 155.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -139.8 | 90.3 | 139.7 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | Q492 | V490-Q492 HydrophobicContact CG1-CG 3.86Å; V490-Q492 PolarHBondContact O-N 3.14Å | ||
| 491 | V | 38.4 | Very low | 39.8 | Very low | 133 Ų | 133 | 153.4 Ų | 153.4 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -74.5 | 98.4 | 156.6 | 174.2 | 0 | 0 | 0 | 0 | 105.7 | R493 | V491-R493 PolarHBondContact O-N 3.36Š| ||
| 492 | Q | 37.3 | Very low | 39.8 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -83.2 | 107.5 | 157.9 | -91.7 | 177.1 | -6.2 | 0 | 0 | 107.2 | V490 T494 | V490-Q492 HydrophobicContact CG1-CG 3.86Å; V490-Q492 PolarHBondContact O-N 3.14Å; Q492-T494 PolarHBondContact O-N 2.96Å | ||
| 493 | R | 41.3 | Very low | 39.5 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 68% | 0.683 | 80% | 0.804 | S | S | * | * | trans | -52.4 | 126.1 | 154.6 | -70.6 | 179.2 | 177.1 | 172.3 | 0.8 | 108 | V491 | V491-R493 PolarHBondContact O-N 3.36Š| ||
| 494 | T | 37.2 | Very low | 39.6 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -133.4 | 108 | 154.4 | 49.5 | 0 | 0 | 0 | 0 | 107.5 | Q492 | Q492-T494 PolarHBondContact O-N 2.96Š| ||
| 495 | L | 37.2 | Very low | 39.5 | Very low | 251 Ų | 251 | 150.1 Ų | 150.1 | 100% | 1.314 | 81% | 0.81 | S | S | * | * | trans | 16.5 | 0 | 145.6 | -62.2 | 168.8 | 0 | 0 | 0 | 117.7 |
Retrieved 495 of 495 residues in 533.6 ms
(Link to these results)