| 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 | 39.8 | Very low | 45.2 | Very low | 239 Ų | 239 | 140.5 Ų | 140.5 | 100% | 1.177 | 77% | 0.769 | S | S | * | * | 0 | 111.3 | 0 | -69.5 | -174.5 | -87.6 | 0 | 0 | 105.9 | |||||
| 2 | E | 40.7 | Very low | 47.4 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | cis | -138.5 | 138.1 | 6 | -83.5 | 166.9 | 109.7 | 0 | 0 | 112.6 | ||||
| 3 | N | 40.5 | Very low | 49.5 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | 40.2 | 104.6 | 145 | -56.1 | -12.7 | 0 | 0 | 0 | 120.1 | A5 | N3-A5 PolarHBondContact O-N 3.33Š| ||
| 4 | Q | 46.1 | Very low | 51.8 | Low | 179 Ų | 179 | 128.4 Ų | 128.4 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | trans | -48.7 | 130.4 | 137.9 | -70.8 | 167.2 | -50.3 | 0 | 0 | 110.2 | ||||
| 5 | A | 40.3 | Very low | 54.2 | Low | 80 Ų | 80 | 126.8 Ų | 126.8 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | trans | -131.9 | 104.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | N3 N7 | N3-A5 PolarHBondContact O-N 3.33Å; A5-N7 VanDerWaalsContact C-N 3.29Å; A5-N7 PolarHBondContact O-N 2.85Å | ||
| 6 | H | 46.5 | Very low | 56.1 | Low | 155 Ų | 155 | 121.6 Ų | 121.6 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | -68.1 | 91.2 | 170.6 | -80.2 | -71.6 | 0 | 0 | 0 | 108.8 | T8 | H6-T8 PolarHBondContact O-N 3.27Š| ||
| 7 | N | 41.9 | Very low | 58.1 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 78% | 0.775 | 68% | 0.68 | S | S | * | * | trans | -78.1 | 56.7 | 160.7 | -75.4 | -16.4 | 0 | 0 | 0 | 109.9 | A5 M9 | A5-N7 VanDerWaalsContact C-N 3.29Å; A5-N7 PolarHBondContact O-N 2.85Å; N7-M9 PolarHBondContact O-N 3.41Å | ||
| 8 | T | 45.8 | Very low | 60.1 | Low | 119 Ų | 119 | 120.7 Ų | 120.7 | 73% | 0.73 | 67% | 0.673 | S | S | * | * | trans | -70.1 | 66.5 | 146.7 | 43.8 | 0 | 0 | 0 | 0 | 107.3 | H6 G10 | H6-T8 PolarHBondContact O-N 3.27Å; T8-G10 PolarHBondContact O-N 3Å | ||
| 9 | M | 49.3 | Very low | 61.8 | Low | 171 Ų | 171 | 120.9 Ų | 120.9 | 84% | 0.842 | 67% | 0.668 | S | S | * | * | trans | -72.4 | 92 | 167.4 | -164.2 | 165.2 | -178.5 | 0 | 0 | 104.2 | N7 T11 | N7-M9 PolarHBondContact O-N 3.41Å; M9-T11 PolarHBondContact O-N 2.92Å; M9-T11 VanDerWaalsContact O-N 3.12Å | ||
| 10 | G | 52.6 | Low | 63.3 | Low | 66 Ų | 66 | 120.6 Ų | 120.6 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -54 | 122.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | T8 S12 | T8-G10 PolarHBondContact O-N 3Å; G10-S12 PolarHBondContact O-N 3.34Å |
| 11 | T | 53.8 | Low | 64.8 | Low | 75 Ų | 75 | 119.4 Ų | 119.4 | 46% | 0.46 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -46.9 | 134.2 | 166.2 | 39 | 0 | 0 | 0 | 0 | 107.5 | M9 E15 | M9-T11 PolarHBondContact O-N 2.92Å; M9-T11 VanDerWaalsContact O-N 3.12Å; T11-E15 HydrophobicContact CG2-CG 4.19Å |
| 12 | S | 71.6 | Confident | 67.4 | Low | 61 Ų | 61 | 113.4 Ų | 113.4 | 43% | 0.427 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 148.9 | 178.7 | 72.7 | 0 | 0 | 0 | 0 | 108.6 | G10 C14 E15 A16 | G10-S12 PolarHBondContact O-N 3.34Å; S12-C14 PolarHBondContact O-N 3.49Å; S12-E15 PolarHBondContact N-OE2 3.31Å; S12-E15 WeakPolarHBondContact O-CA 3.46Å; S12-E15 WeakPolarHBondContact O-CB 3.48Å; S12-E15 PolarHBondContact O-N 3.37Å; S12-E15 WeakPolarHBondContact OG-CB 3.29Å; S12-E15 PolarHBondContact OG-N 2.84Å; S12-A16 PolarHBondContact O-N 2.96Å; S12-A16 VanDerWaalsContact O-N 3.11Å |
| 13 | P | 74.6 | Confident | 70 | Confident | 101 Ų | 101 | 111 Ų | 111 | 66% | 0.656 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -50.9 | -38.7 | -177.4 | -30 | 35.9 | 0 | 0 | 0 | 113.1 | E15 A16 E17 | P13-E15 PolarHBondContact O-N 3.02Å; P13-A16 PolarHBondContact O-N 3.01Å; P13-E17 WeakPolarHBondContact O-CB 3.43Å; P13-E17 VanDerWaalsContact O-CG 3.31Å; P13-E17 WeakPolarHBondContact O-CG 3.36Å; P13-E17 PolarHBondContact O-N 3.22Å |
| 14 | C | 80.9 | Confident | 72.7 | Confident | 90 Ų | 90 | 108.9 Ų | 108.9 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.3 | -35.7 | 173.8 | -174.4 | 0 | 0 | 0 | 0 | 114.3 | S12 L18 | S12-C14 PolarHBondContact O-N 3.49Å; C14-L18 WeakPolarHBondContact O-CB 3.47Å; C14-L18 PolarHBondContact O-N 2.94Å |
| 15 | E | 88.1 | Confident | 75 | Confident | 105 Ų | 105 | 104.7 Ų | 104.7 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -75.6 | -36.1 | 178.8 | -174.2 | 172.4 | -152.1 | 0 | 0 | 111.7 | T11 S12 P13 Q19 | T11-E15 HydrophobicContact CG2-CG 4.19Å; S12-E15 PolarHBondContact N-OE2 3.31Å; S12-E15 WeakPolarHBondContact O-CA 3.46Å; S12-E15 WeakPolarHBondContact O-CB 3.48Å; S12-E15 PolarHBondContact O-N 3.37Å; S12-E15 WeakPolarHBondContact OG-CB 3.29Å; S12-E15 PolarHBondContact OG-N 2.84Å; P13-E15 PolarHBondContact O-N 3.02Å; E15-Q19 WeakPolarHBondContact O-CB 3.26Å; E15-Q19 PolarHBondContact O-N 2.79Å |
| 16 | A | 85.6 | Confident | 77.7 | Confident | 44 Ų | 44 | 106 Ų | 106 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.7 | -45.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S12 P13 L18 Q19 E20 | S12-A16 PolarHBondContact O-N 2.96Å; S12-A16 VanDerWaalsContact O-N 3.11Å; P13-A16 PolarHBondContact O-N 3.01Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 3.4Å; A16-Q19 PolarHBondContact O-N 3.33Å; A16-E20 PolarHBondContact O-N 2.96Å |
| 17 | E | 89.9 | Confident | 80.1 | Confident | 120 Ų | 120 | 102.9 Ų | 102.9 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.5 | -41.5 | 174.7 | -74.1 | 167.8 | -159.9 | 0 | 0 | 112 | P13 E20 L21 | P13-E17 WeakPolarHBondContact O-CB 3.43Å; P13-E17 VanDerWaalsContact O-CG 3.31Å; P13-E17 WeakPolarHBondContact O-CG 3.36Å; P13-E17 PolarHBondContact O-N 3.22Å; E17-E20 PolarHBondContact O-N 3.14Å; E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 WeakPolarHBondContact O-CG 3.26Å; E17-L21 PolarHBondContact O-N 3.4Å |
| 18 | L | 93.7 | Very high | 82.8 | Confident | 106 Ų | 106 | 101.2 Ų | 101.2 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.4 | -42.9 | 175.5 | -170.8 | 78.9 | 0 | 0 | 0 | 111.8 | C14 A16 L21 M22 | C14-L18 WeakPolarHBondContact O-CB 3.47Å; C14-L18 PolarHBondContact O-N 2.94Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-L18 PolarHBondContact O-N 3.4Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-M22 WeakPolarHBondContact O-CG 3.18Å; L18-M22 PolarHBondContact O-N 2.91Å |
| 19 | Q | 91.6 | Very high | 85.2 | Confident | 125 Ų | 125 | 99.4 Ų | 99.4 | 58% | 0.584 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | 179.9 | -171.2 | 167.1 | -6.5 | 0 | 0 | 111.7 | E15 A16 M22 E23 | E15-Q19 WeakPolarHBondContact O-CB 3.26Å; E15-Q19 PolarHBondContact O-N 2.79Å; A16-Q19 PolarHBondContact O-N 3.33Å; Q19-M22 PolarHBondContact O-N 3.15Å; Q19-E23 PolarHBondContact O-N 2.74Å |
| 20 | E | 92.3 | Very high | 87.5 | Confident | 114 Ų | 114 | 94.3 Ų | 94.3 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 172.6 | -166.8 | -172.7 | 156.4 | 0 | 0 | 111.5 | A16 E17 M22 E23 Q24 | A16-E20 PolarHBondContact O-N 2.96Å; E17-E20 PolarHBondContact O-N 3.14Å; E20-M22 VanDerWaalsContact C-N 3.33Å; E20-M22 PolarHBondContact O-N 3.02Å; E20-E23 PolarHBondContact O-N 2.91Å; E20-Q24 VanDerWaalsContact O-CG 3.32Å; E20-Q24 WeakPolarHBondContact O-CG 3.37Å; E20-Q24 PolarHBondContact O-N 3.12Å; E20-Q24 PolarHBondContact OE1-NE2 2.89Å |
| 21 | L | 95.9 | Very high | 89.6 | Confident | 97 Ų | 97 | 94.6 Ų | 94.6 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 175.6 | -75.7 | 170.6 | 0 | 0 | 0 | 112.5 | E17 L18 Q24 I25 | E17-L21 WeakPolarHBondContact O-CB 3.39Å; E17-L21 WeakPolarHBondContact O-CG 3.26Å; E17-L21 PolarHBondContact O-N 3.4Å; L18-L21 PolarHBondContact O-N 3.24Å; L21-Q24 PolarHBondContact O-N 2.93Å; L21-I25 WeakPolarHBondContact O-CD1 3.37Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.94Å |
| 22 | M | 94.6 | Very high | 91.8 | Very high | 112 Ų | 112 | 96.4 Ų | 96.4 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 173.6 | -74.4 | -179.1 | 60.9 | 0 | 0 | 111.7 | L18 Q19 E20 Q24 I25 D26 | L18-M22 WeakPolarHBondContact O-CG 3.18Å; L18-M22 PolarHBondContact O-N 2.91Å; Q19-M22 PolarHBondContact O-N 3.15Å; E20-M22 VanDerWaalsContact C-N 3.33Å; E20-M22 PolarHBondContact O-N 3.02Å; M22-Q24 PolarHBondContact O-N 3.03Å; M22-I25 PolarHBondContact O-N 3.44Å; M22-D26 PolarHBondContact O-N 3.29Å |
| 23 | E | 95.2 | Very high | 93 | Very high | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 176.6 | -174.1 | 168.7 | -171.8 | 0 | 0 | 111.9 | Q19 E20 I25 D26 I27 | Q19-E23 PolarHBondContact O-N 2.74Å; E20-E23 PolarHBondContact O-N 2.91Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 2.82Å; E23-D26 PolarHBondContact O-N 3.41Å; E23-I27 HydrophobicContact CG-CD1 3.97Å; E23-I27 WeakPolarHBondContact O-CB 3.34Å; E23-I27 VanDerWaalsContact O-CG1 3.25Å; E23-I27 WeakPolarHBondContact O-CG1 3.33Å; E23-I27 PolarHBondContact O-N 3.34Å |
| 24 | Q | 95.9 | Very high | 94.1 | Very high | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 173 | -70.5 | 178.7 | 20.5 | 0 | 0 | 112.3 | E20 L21 M22 M28 | E20-Q24 VanDerWaalsContact O-CG 3.32Å; E20-Q24 WeakPolarHBondContact O-CG 3.37Å; E20-Q24 PolarHBondContact O-N 3.12Å; E20-Q24 PolarHBondContact OE1-NE2 2.89Å; L21-Q24 PolarHBondContact O-N 2.93Å; M22-Q24 PolarHBondContact O-N 3.03Å; Q24-M28 VanDerWaalsContact O-CB 3.32Å; Q24-M28 WeakPolarHBondContact O-CB 3.35Å; Q24-M28 PolarHBondContact O-N 3.24Å |
| 25 | I | 95.6 | Very high | 94.9 | Very high | 91 Ų | 91 | 96.3 Ų | 96.3 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 174.7 | -71.6 | 164.3 | 0 | 0 | 0 | 110.8 | L21 M22 E23 I27 M28 V29 | L21-I25 WeakPolarHBondContact O-CD1 3.37Å; L21-I25 VanDerWaalsContact O-CG1 3.24Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 2.94Å; M22-I25 PolarHBondContact O-N 3.44Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 2.82Å; I25-I27 PolarHBondContact O-N 2.87Å; I25-M28 WeakPolarHBondContact O-CB 3.38Å; I25-M28 PolarHBondContact O-N 2.93Å; I25-V29 HydrophobicContact CG2-CG2 4.23Å; I25-V29 WeakPolarHBondContact O-CB 3.48Å; I25-V29 VanDerWaalsContact O-CG2 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.25Å; I25-V29 PolarHBondContact O-N 3.41Å |
| 26 | D | 97.1 | Very high | 95.4 | Very high | 108 Ų | 108 | 100 Ų | 100 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.6 | -41.5 | 178.9 | -80.1 | -22.8 | 0 | 0 | 0 | 111.8 | M22 E23 V29 S30 | M22-D26 PolarHBondContact O-N 3.29Å; E23-D26 PolarHBondContact O-N 3.41Å; D26-V29 PolarHBondContact O-N 2.87Å; D26-S30 WeakPolarHBondContact O-CB 3.48Å; D26-S30 PolarHBondContact O-N 3.37Å |
| 27 | I | 96.7 | Very high | 96 | Very high | 89 Ų | 89 | 101.3 Ų | 101.3 | 46% | 0.456 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 172.3 | -69.8 | 166.2 | 0 | 0 | 0 | 110.6 | E23 I25 S30 N31 | E23-I27 HydrophobicContact CG-CD1 3.97Å; E23-I27 WeakPolarHBondContact O-CB 3.34Å; E23-I27 VanDerWaalsContact O-CG1 3.25Å; E23-I27 WeakPolarHBondContact O-CG1 3.33Å; E23-I27 PolarHBondContact O-N 3.34Å; I25-I27 PolarHBondContact O-N 2.87Å; I27-S30 PolarHBondContact O-N 3.49Å; I27-N31 WeakPolarHBondContact CG2-ND2 3.34Å; I27-N31 VanDerWaalsContact O-CB 3.29Å; I27-N31 WeakPolarHBondContact O-CB 3.43Å; I27-N31 VanDerWaalsContact O-CG 3.25Å; I27-N31 PolarHBondContact O-N 2.84Å; I27-N31 PolarHBondContact O-ND2 2.65Å; I27-N31 VanDerWaalsContact O-ND2 3.15Å |
| 28 | M | 97.6 | Very high | 96.4 | Very high | 109 Ų | 109 | 101.4 Ų | 101.4 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -46 | 177.6 | 179.6 | -171.6 | 61.9 | 0 | 0 | 112 | Q24 I25 N31 K32 | Q24-M28 VanDerWaalsContact O-CB 3.32Å; Q24-M28 WeakPolarHBondContact O-CB 3.35Å; Q24-M28 PolarHBondContact O-N 3.24Å; I25-M28 WeakPolarHBondContact O-CB 3.38Å; I25-M28 PolarHBondContact O-N 2.93Å; M28-N31 PolarHBondContact O-N 2.95Å; M28-K32 WeakPolarHBondContact O-CG 3.27Å; M28-K32 PolarHBondContact O-N 3.29Å |
| 29 | V | 97.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 102.8 Ų | 102.8 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -43 | 179.4 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | I25 D26 K32 K33 | I25-V29 HydrophobicContact CG2-CG2 4.23Å; I25-V29 WeakPolarHBondContact O-CB 3.48Å; I25-V29 VanDerWaalsContact O-CG2 3.31Å; I25-V29 WeakPolarHBondContact O-CG2 3.25Å; I25-V29 PolarHBondContact O-N 3.41Å; D26-V29 PolarHBondContact O-N 2.87Å; V29-K32 PolarHBondContact O-N 2.87Å; V29-K33 WeakPolarHBondContact O-CB 3.41Å; V29-K33 PolarHBondContact O-N 2.95Å |
| 30 | S | 97.3 | Very high | 96.9 | Very high | 63 Ų | 63 | 101.4 Ų | 101.4 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 174.3 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | D26 I27 K32 K33 M34 | D26-S30 WeakPolarHBondContact O-CB 3.48Å; D26-S30 PolarHBondContact O-N 3.37Å; I27-S30 PolarHBondContact O-N 3.49Å; S30-K32 PolarHBondContact O-N 3.49Å; S30-K33 WeakPolarHBondContact O-CB 3.32Å; S30-K33 PolarHBondContact O-N 3.42Å; S30-M34 PolarHBondContact O-N 3.44Å |
| 31 | N | 96.9 | Very high | 97.2 | Very high | 72 Ų | 72 | 102 Ų | 102 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.1 | -78.3 | -32.8 | 0 | 0 | 0 | 112.1 | I27 M28 M34 D35 | I27-N31 WeakPolarHBondContact CG2-ND2 3.34Å; I27-N31 VanDerWaalsContact O-CB 3.29Å; I27-N31 WeakPolarHBondContact O-CB 3.43Å; I27-N31 VanDerWaalsContact O-CG 3.25Å; I27-N31 PolarHBondContact O-N 2.84Å; I27-N31 PolarHBondContact O-ND2 2.65Å; I27-N31 VanDerWaalsContact O-ND2 3.15Å; M28-N31 PolarHBondContact O-N 2.95Å; N31-M34 PolarHBondContact O-N 3.5Å; N31-M34 WeakPolarHBondContact OD1-CE 3.21Å; N31-D35 PolarHBondContact O-N 3.26Å |
| 32 | K | 98.3 | Very high | 97.3 | Very high | 114 Ų | 114 | 100 Ų | 100 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 175.7 | -74.7 | -70.5 | 158.1 | -135.7 | 0 | 112.6 | M28 V29 S30 D35 W36 | M28-K32 WeakPolarHBondContact O-CG 3.27Å; M28-K32 PolarHBondContact O-N 3.29Å; V29-K32 PolarHBondContact O-N 2.87Å; S30-K32 PolarHBondContact O-N 3.49Å; K32-D35 IonicContact NZ-OD2 2.99Å; K32-D35 PolarHBondContact NZ-OD2 3.15Å; K32-D35 WeakPolarHBondContact O-CB 3.49Å; K32-D35 PolarHBondContact O-N 3.2Å; K32-W36 PolarHBondContact O-N 3.36Å |
| 33 | K | 97.7 | Very high | 97.4 | Very high | 131 Ų | 131 | 99 Ų | 99 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.1 | -48.9 | 171.9 | -176.8 | -177.7 | 173.4 | -171.9 | 0 | 110.9 | V29 S30 D35 W36 E37 | V29-K33 WeakPolarHBondContact O-CB 3.41Å; V29-K33 PolarHBondContact O-N 2.95Å; S30-K33 WeakPolarHBondContact O-CB 3.32Å; S30-K33 PolarHBondContact O-N 3.42Å; K33-D35 VanDerWaalsContact C-N 3.34Å; K33-D35 PolarHBondContact O-N 3.38Å; K33-W36 PolarHBondContact O-N 3.5Å; K33-W36 VanDerWaalsContact O-N 3.14Å; K33-E37 WeakPolarHBondContact CE-OE1 3.23Å; K33-E37 WeakPolarHBondContact O-CG 3.46Å; K33-E37 PolarHBondContact O-N 3.26Å |
| 34 | M | 97.8 | Very high | 97.5 | Very high | 77 Ų | 77 | 97.4 Ų | 97.4 | 38% | 0.379 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 176 | -71.8 | -162.8 | -72.8 | 0 | 0 | 113.2 | S30 N31 W36 R38 | S30-M34 PolarHBondContact O-N 3.44Å; N31-M34 PolarHBondContact O-N 3.5Å; N31-M34 WeakPolarHBondContact OD1-CE 3.21Å; M34-W36 VanDerWaalsContact C-N 3.33Å; M34-R38 WeakPolarHBondContact O-CB 3.31Å; M34-R38 WeakPolarHBondContact O-CG 3.28Å; M34-R38 PolarHBondContact O-N 3.32Å |
| 35 | D | 97.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 96.6 Ų | 96.6 | 22% | 0.219 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 172.9 | -74.7 | -14.1 | 0 | 0 | 0 | 111.6 | N31 K32 K33 R38 K39 | N31-D35 PolarHBondContact O-N 3.26Å; K32-D35 IonicContact NZ-OD2 2.99Å; K32-D35 PolarHBondContact NZ-OD2 3.15Å; K32-D35 WeakPolarHBondContact O-CB 3.49Å; K32-D35 PolarHBondContact O-N 3.2Å; K33-D35 VanDerWaalsContact C-N 3.34Å; K33-D35 PolarHBondContact O-N 3.38Å; D35-R38 IonicContact OD1-CZ 2.65Å; D35-R38 IonicContact OD1-NH1 2.65Å; D35-R38 PolarHBondContact OD1-NH1 3.23Å; D35-R38 IonicContact OD1-NH2 3.16Å; D35-R38 PolarHBondContact OD1-NH2 3.46Å; D35-K39 VanDerWaalsContact O-CG 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.26Å; D35-K39 PolarHBondContact O-N 3.03Å |
| 36 | W | 98.3 | Very high | 97.7 | Very high | 184 Ų | 184 | 100.3 Ų | 100.3 | 70% | 0.697 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71 | -42 | -179 | -74.5 | 39.9 | 0 | 0 | 0 | 111.3 | K32 K33 M34 K39 M40 | K32-W36 PolarHBondContact O-N 3.36Å; K33-W36 PolarHBondContact O-N 3.5Å; K33-W36 VanDerWaalsContact O-N 3.14Å; M34-W36 VanDerWaalsContact C-N 3.33Å; W36-K39 PolarHBondContact O-N 3.41Å; W36-M40 WeakPolarHBondContact O-CB 3.46Å; W36-M40 PolarHBondContact O-N 2.86Å |
| 37 | E | 98.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 100 Ų | 100 | 33% | 0.332 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 173.3 | -68.8 | 176.7 | -169.4 | 0 | 0 | 112.3 | K33 K39 M40 R41 | K33-E37 WeakPolarHBondContact CE-OE1 3.23Å; K33-E37 WeakPolarHBondContact O-CG 3.46Å; K33-E37 PolarHBondContact O-N 3.26Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.95Å; E37-M40 PolarHBondContact O-N 2.84Å; E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 3.31Å; E37-R41 IonicContact OE2-NH2 2.69Å; E37-R41 PolarHBondContact OE2-NH2 3.39Å |
| 38 | R | 98.3 | Very high | 97.8 | Very high | 121 Ų | 121 | 100.8 Ų | 100.8 | 46% | 0.457 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 174 | -79.2 | -174.4 | -108.2 | 102.2 | 0.3 | 111.6 | M34 D35 A42 | M34-R38 WeakPolarHBondContact O-CB 3.31Å; M34-R38 WeakPolarHBondContact O-CG 3.28Å; M34-R38 PolarHBondContact O-N 3.32Å; D35-R38 IonicContact OD1-CZ 2.65Å; D35-R38 IonicContact OD1-NH1 2.65Å; D35-R38 PolarHBondContact OD1-NH1 3.23Å; D35-R38 IonicContact OD1-NH2 3.16Å; D35-R38 PolarHBondContact OD1-NH2 3.46Å; R38-A42 WeakPolarHBondContact O-CB 3.34Å; R38-A42 PolarHBondContact O-N 3.3Å; R38-A42 VanDerWaalsContact O-N 3.09Å |
| 39 | K | 98.1 | Very high | 97.8 | Very high | 135 Ų | 135 | 100.5 Ų | 100.5 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66 | -41.2 | 174.3 | -74.3 | 171.6 | -178.1 | -177.4 | 0 | 112.4 | D35 W36 E37 A42 L43 | D35-K39 VanDerWaalsContact O-CG 3.28Å; D35-K39 WeakPolarHBondContact O-CG 3.26Å; D35-K39 PolarHBondContact O-N 3.03Å; W36-K39 PolarHBondContact O-N 3.41Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.95Å; K39-A42 PolarHBondContact O-N 3.31Å; K39-L43 WeakPolarHBondContact O-CG 3.31Å; K39-L43 PolarHBondContact O-N 3.09Å |
| 40 | M | 98.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 103.9 Ų | 103.9 | 48% | 0.478 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.8 | -52.1 | 178.2 | -168.3 | 66 | -125 | 0 | 0 | 110.8 | W36 E37 A42 L43 E44 | W36-M40 WeakPolarHBondContact O-CB 3.46Å; W36-M40 PolarHBondContact O-N 2.86Å; E37-M40 PolarHBondContact O-N 2.84Å; M40-A42 VanDerWaalsContact C-N 3.29Å; M40-A42 PolarHBondContact O-N 3.01Å; M40-L43 WeakPolarHBondContact O-CA 3.38Å; M40-L43 WeakPolarHBondContact O-CB 3.4Å; M40-L43 PolarHBondContact O-N 3.24Å; M40-E44 HydrophobicContact CE-CG 3.69Å; M40-E44 WeakPolarHBondContact O-CG 3.32Å; M40-E44 PolarHBondContact O-N 3.48Å |
| 41 | R | 98.1 | Very high | 97.7 | Very high | 125 Ų | 125 | 105 Ų | 105 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 176.6 | -66 | -178.2 | -138.2 | 117.5 | -0.3 | 112.6 | E37 L43 E44 T45 | E37-R41 WeakPolarHBondContact O-CG 3.44Å; E37-R41 PolarHBondContact O-N 3.31Å; E37-R41 IonicContact OE2-NH2 2.69Å; E37-R41 PolarHBondContact OE2-NH2 3.39Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 2.85Å; R41-E44 WeakPolarHBondContact CA-OE2 3.49Å; R41-E44 PolarHBondContact O-N 3.04Å; R41-T45 PolarHBondContact O-N 3.31Å; R41-T45 PolarHBondContact O-OG1 3.37Å |
| 42 | A | 97.7 | Very high | 97.8 | Very high | 55 Ų | 55 | 106.7 Ų | 106.7 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -28.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | R38 K39 M40 R46 | R38-A42 WeakPolarHBondContact O-CB 3.34Å; R38-A42 PolarHBondContact O-N 3.3Å; R38-A42 VanDerWaalsContact O-N 3.09Å; K39-A42 PolarHBondContact O-N 3.31Å; M40-A42 VanDerWaalsContact C-N 3.29Å; M40-A42 PolarHBondContact O-N 3.01Å; A42-R46 WeakPolarHBondContact O-CB 3.36Å; A42-R46 WeakPolarHBondContact O-CD 3.39Å; A42-R46 VanDerWaalsContact O-CG 3.23Å; A42-R46 WeakPolarHBondContact O-CG 3.47Å; A42-R46 PolarHBondContact O-N 3.13Å |
| 43 | L | 97.9 | Very high | 97.7 | Very high | 92 Ų | 92 | 105.7 Ų | 105.7 | 48% | 0.482 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.9 | -40.5 | 172.7 | -71.4 | 172.3 | 0 | 0 | 0 | 111.8 | K39 M40 R41 R46 L47 | K39-L43 WeakPolarHBondContact O-CG 3.31Å; K39-L43 PolarHBondContact O-N 3.09Å; M40-L43 WeakPolarHBondContact O-CA 3.38Å; M40-L43 WeakPolarHBondContact O-CB 3.4Å; M40-L43 PolarHBondContact O-N 3.24Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 2.85Å; L43-R46 WeakPolarHBondContact O-CB 3.41Å; L43-R46 PolarHBondContact O-N 3.43Å; L43-L47 PolarHBondContact O-N 2.97Å |
| 44 | E | 97.5 | Very high | 97.7 | Very high | 89 Ų | 89 | 104.9 Ų | 104.9 | 42% | 0.416 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.7 | -54.7 | 173.5 | -71 | 162.8 | 168 | 0 | 0 | 110.6 | M40 R41 R46 L47 D48 | M40-E44 HydrophobicContact CE-CG 3.69Å; M40-E44 WeakPolarHBondContact O-CG 3.32Å; M40-E44 PolarHBondContact O-N 3.48Å; R41-E44 WeakPolarHBondContact CA-OE2 3.49Å; R41-E44 PolarHBondContact O-N 3.04Å; E44-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact O-N 3.15Å; E44-L47 WeakPolarHBondContact O-CA 3.41Å; E44-L47 WeakPolarHBondContact O-CB 3.47Å; E44-L47 PolarHBondContact O-N 3.49Å; E44-D48 PolarHBondContact O-N 3.16Å |
| 45 | T | 97.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 103.5 Ų | 103.5 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.7 | -34.4 | 177.2 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | R41 L49 | R41-T45 PolarHBondContact O-N 3.31Å; R41-T45 PolarHBondContact O-OG1 3.37Å; T45-L49 HydrophobicContact CG2-CD1 4.38Å; T45-L49 WeakPolarHBondContact O-CB 3.23Å; T45-L49 WeakPolarHBondContact O-CD1 3.35Å; T45-L49 VanDerWaalsContact O-CG 3.24Å; T45-L49 WeakPolarHBondContact O-CG 3.37Å; T45-L49 PolarHBondContact O-N 2.83Å; T45-L49 VanDerWaalsContact O-N 3.16Å |
| 46 | R | 97.4 | Very high | 97.5 | Very high | 169 Ų | 169 | 106 Ų | 106 | 64% | 0.638 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -72.1 | -30.9 | 175.4 | -82.9 | 174.9 | 54.6 | -171.9 | -6.4 | 113.1 | A42 L43 E44 R50 | A42-R46 WeakPolarHBondContact O-CB 3.36Å; A42-R46 WeakPolarHBondContact O-CD 3.39Å; A42-R46 VanDerWaalsContact O-CG 3.23Å; A42-R46 WeakPolarHBondContact O-CG 3.47Å; A42-R46 PolarHBondContact O-N 3.13Å; L43-R46 WeakPolarHBondContact O-CB 3.41Å; L43-R46 PolarHBondContact O-N 3.43Å; E44-R46 PolarHBondContact O-N 3.12Å; E44-R46 VanDerWaalsContact O-N 3.15Å; R46-R50 VanDerWaalsContact O-CG 3.27Å; R46-R50 WeakPolarHBondContact O-CG 3.47Å; R46-R50 PolarHBondContact O-N 2.79Å |
| 47 | L | 97.4 | Very high | 97.4 | Very high | 102 Ų | 102 | 100 Ų | 100 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.2 | -49 | 175.3 | -177.3 | 62.7 | 0 | 0 | 0 | 109.8 | L43 E44 L49 R50 D51 | L43-L47 PolarHBondContact O-N 2.97Å; E44-L47 WeakPolarHBondContact O-CA 3.41Å; E44-L47 WeakPolarHBondContact O-CB 3.47Å; E44-L47 PolarHBondContact O-N 3.49Å; L47-L49 VanDerWaalsContact C-N 3.27Å; L47-L49 PolarHBondContact O-N 3Å; L47-R50 CarbonylContact O-C 3.58Å; L47-R50 WeakPolarHBondContact O-CA 3.47Å; L47-R50 WeakPolarHBondContact O-CB 3.38Å; L47-R50 PolarHBondContact O-N 3.32Å; L47-D51 PolarHBondContact O-N 3Å |
| 48 | D | 97.9 | Very high | 97.4 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -54.9 | -43 | 177.3 | -62.4 | -29.4 | 0 | 0 | 0 | 111.9 | E44 R50 D51 Q52 | E44-D48 PolarHBondContact O-N 3.16Å; D48-R50 VanDerWaalsContact C-N 3.34Å; D48-R50 PolarHBondContact O-N 3.46Å; D48-D51 PolarHBondContact O-N 3.13Å; D48-Q52 WeakPolarHBondContact O-CB 3.45Å; D48-Q52 PolarHBondContact O-N 2.7Å |
| 49 | L | 97.1 | Very high | 97.3 | Very high | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 174.7 | -75.6 | 170.2 | 0 | 0 | 0 | 112.5 | T45 L47 E53 | T45-L49 HydrophobicContact CG2-CD1 4.38Å; T45-L49 WeakPolarHBondContact O-CB 3.23Å; T45-L49 WeakPolarHBondContact O-CD1 3.35Å; T45-L49 VanDerWaalsContact O-CG 3.24Å; T45-L49 WeakPolarHBondContact O-CG 3.37Å; T45-L49 PolarHBondContact O-N 2.83Å; T45-L49 VanDerWaalsContact O-N 3.16Å; L47-L49 VanDerWaalsContact C-N 3.27Å; L47-L49 PolarHBondContact O-N 3Å; L49-E53 WeakPolarHBondContact O-CB 3.48Å; L49-E53 VanDerWaalsContact O-CG 3.3Å; L49-E53 WeakPolarHBondContact O-CG 3.38Å; L49-E53 PolarHBondContact O-N 2.73Å |
| 50 | R | 96.6 | Very high | 97.3 | Very high | 153 Ų | 153 | 95.8 Ų | 95.8 | 58% | 0.577 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72 | -39.4 | 178 | -70.7 | -68.4 | 174 | -170.4 | 0.2 | 112.1 | R46 L47 D48 Q52 E53 L54 | R46-R50 VanDerWaalsContact O-CG 3.27Å; R46-R50 WeakPolarHBondContact O-CG 3.47Å; R46-R50 PolarHBondContact O-N 2.79Å; L47-R50 CarbonylContact O-C 3.58Å; L47-R50 WeakPolarHBondContact O-CA 3.47Å; L47-R50 WeakPolarHBondContact O-CB 3.38Å; L47-R50 PolarHBondContact O-N 3.32Å; D48-R50 VanDerWaalsContact C-N 3.34Å; D48-R50 PolarHBondContact O-N 3.46Å; R50-Q52 VanDerWaalsContact C-N 3.32Å; R50-Q52 PolarHBondContact O-N 3.05Å; R50-E53 WeakPolarHBondContact CD-OE2 3.41Å; R50-E53 IonicContact CZ-OE2 3.33Å; R50-E53 IonicContact NE-OE2 2.69Å; R50-E53 IonicContact NH1-OE1 2.65Å; R50-E53 IonicContact NH1-OE2 3.15Å; R50-E53 PolarHBondContact NH1-OE2 2.91Å; R50-E53 PolarHBondContact O-N 3.43Å; R50-L54 WeakPolarHBondContact O-CB 3.45Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.38Å; R50-L54 PolarHBondContact O-N 3.39Å |
| 51 | D | 97.6 | Very high | 97.3 | Very high | 86 Ų | 86 | 96.4 Ų | 96.4 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 175.9 | -69.7 | -19.1 | 0 | 0 | 0 | 110.9 | L47 D48 L54 A55 | L47-D51 PolarHBondContact O-N 3Å; D48-D51 PolarHBondContact O-N 3.13Å; D51-L54 PolarHBondContact O-N 3.48Å; D51-A55 WeakPolarHBondContact O-CB 3.37Å; D51-A55 PolarHBondContact O-N 2.89Å |
| 52 | Q | 97.9 | Very high | 97.2 | Very high | 107 Ų | 107 | 94.2 Ų | 94.2 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 171.6 | -173.2 | 63.3 | 63.8 | 0 | 0 | 112.7 | D48 R50 L54 A55 N56 | D48-Q52 WeakPolarHBondContact O-CB 3.45Å; D48-Q52 PolarHBondContact O-N 2.7Å; R50-Q52 VanDerWaalsContact C-N 3.32Å; R50-Q52 PolarHBondContact O-N 3.05Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; Q52-A55 PolarHBondContact O-N 3.41Å; Q52-N56 PolarHBondContact NE2-OD1 3.36Å; Q52-N56 WeakPolarHBondContact O-CB 3.48Å; Q52-N56 PolarHBondContact O-N 2.92Å; Q52-N56 PolarHBondContact O-ND2 3.22Å; Q52-N56 PolarHBondContact O-OD1 3.39Å |
| 53 | E | 96.6 | Very high | 97.2 | Very high | 94 Ų | 94 | 96.6 Ų | 96.6 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 173.2 | -78.7 | 173.5 | -171.3 | 0 | 0 | 111.6 | L49 R50 N56 A57 | L49-E53 WeakPolarHBondContact O-CB 3.48Å; L49-E53 VanDerWaalsContact O-CG 3.3Å; L49-E53 WeakPolarHBondContact O-CG 3.38Å; L49-E53 PolarHBondContact O-N 2.73Å; R50-E53 WeakPolarHBondContact CD-OE2 3.41Å; R50-E53 IonicContact CZ-OE2 3.33Å; R50-E53 IonicContact NE-OE2 2.69Å; R50-E53 IonicContact NH1-OE1 2.65Å; R50-E53 IonicContact NH1-OE2 3.15Å; R50-E53 PolarHBondContact NH1-OE2 2.91Å; R50-E53 PolarHBondContact O-N 3.43Å; E53-N56 PolarHBondContact O-N 3.03Å; E53-A57 WeakPolarHBondContact O-CB 3.43Å; E53-A57 PolarHBondContact O-N 3.1Å |
| 54 | L | 97.1 | Very high | 97.1 | Very high | 114 Ų | 114 | 97.1 Ų | 97.1 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 177.5 | -72.5 | 171 | 0 | 0 | 0 | 112 | R50 D51 Q52 N56 A57 Q58 | R50-L54 WeakPolarHBondContact O-CB 3.45Å; R50-L54 VanDerWaalsContact O-CG 3.27Å; R50-L54 WeakPolarHBondContact O-CG 3.38Å; R50-L54 PolarHBondContact O-N 3.39Å; D51-L54 PolarHBondContact O-N 3.48Å; Q52-L54 VanDerWaalsContact C-N 3.34Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 2.96Å; L54-A57 PolarHBondContact O-N 2.89Å; L54-Q58 WeakPolarHBondContact O-CB 3.37Å; L54-Q58 PolarHBondContact O-N 3.16Å |
| 55 | A | 97.6 | Very high | 97.1 | Very high | 48 Ų | 48 | 95 Ų | 95 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D51 Q52 T59 | D51-A55 WeakPolarHBondContact O-CB 3.37Å; D51-A55 PolarHBondContact O-N 2.89Å; Q52-A55 PolarHBondContact O-N 3.41Å; A55-T59 WeakPolarHBondContact O-CB 3.43Å; A55-T59 PolarHBondContact O-N 2.62Å; A55-T59 PolarHBondContact O-OG1 2.91Å |
| 56 | N | 95.3 | Very high | 97.1 | Very high | 92 Ų | 92 | 98 Ų | 98 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 174.7 | -68.7 | -14.2 | 0 | 0 | 0 | 111.4 | Q52 E53 L54 T59 C60 | Q52-N56 PolarHBondContact NE2-OD1 3.36Å; Q52-N56 WeakPolarHBondContact O-CB 3.48Å; Q52-N56 PolarHBondContact O-N 2.92Å; Q52-N56 PolarHBondContact O-ND2 3.22Å; Q52-N56 PolarHBondContact O-OD1 3.39Å; E53-N56 PolarHBondContact O-N 3.03Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 2.96Å; N56-T59 PolarHBondContact O-N 3.22Å; N56-C60 WeakPolarHBondContact O-CB 3.18Å; N56-C60 PolarHBondContact O-N 3.05Å |
| 57 | A | 96 | Very high | 97.1 | Very high | 59 Ų | 59 | 94.3 Ų | 94.3 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E53 L54 C60 L61 | E53-A57 WeakPolarHBondContact O-CB 3.43Å; E53-A57 PolarHBondContact O-N 3.1Å; L54-A57 PolarHBondContact O-N 2.89Å; A57-C60 PolarHBondContact O-N 3.42Å; A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 3.3Å |
| 58 | Q | 97.3 | Very high | 97 | Very high | 97 Ų | 97 | 93 Ų | 93 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 175.4 | -176.6 | 59.7 | 46.2 | 0 | 0 | 111.2 | L54 C60 L61 D62 | L54-Q58 WeakPolarHBondContact O-CB 3.37Å; L54-Q58 PolarHBondContact O-N 3.16Å; Q58-C60 VanDerWaalsContact C-N 3.3Å; Q58-C60 PolarHBondContact O-N 3.32Å; Q58-L61 WeakPolarHBondContact O-CB 3.4Å; Q58-L61 PolarHBondContact O-N 3.07Å; Q58-L61 VanDerWaalsContact O-N 3.1Å; Q58-D62 PolarHBondContact NE2-OD1 3.44Å; Q58-D62 PolarHBondContact NE2-OD2 2.99Å; Q58-D62 VanDerWaalsContact O-CG 3.3Å; Q58-D62 PolarHBondContact O-N 3.06Å |
| 59 | T | 96.9 | Very high | 97 | Very high | 76 Ų | 76 | 89.8 Ų | 89.8 | 47% | 0.466 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 178 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | A55 N56 Q63 | A55-T59 WeakPolarHBondContact O-CB 3.43Å; A55-T59 PolarHBondContact O-N 2.62Å; A55-T59 PolarHBondContact O-OG1 2.91Å; N56-T59 PolarHBondContact O-N 3.22Å; T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.42Å; T59-Q63 PolarHBondContact O-N 2.95Å; T59-Q63 VanDerWaalsContact O-N 3.1Å |
| 60 | C | 97.6 | Very high | 97 | Very high | 65 Ų | 65 | 89.2 Ų | 89.2 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 174.6 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | N56 A57 Q58 Q63 K64 | N56-C60 WeakPolarHBondContact O-CB 3.18Å; N56-C60 PolarHBondContact O-N 3.05Å; A57-C60 PolarHBondContact O-N 3.42Å; Q58-C60 VanDerWaalsContact C-N 3.3Å; Q58-C60 PolarHBondContact O-N 3.32Å; C60-Q63 PolarHBondContact O-N 2.91Å; C60-K64 WeakPolarHBondContact O-CG 3.37Å; C60-K64 PolarHBondContact O-N 3.24Å |
| 61 | L | 97.5 | Very high | 97.1 | Very high | 111 Ų | 111 | 87 Ų | 87 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.1 | -42 | 177.5 | -172.5 | 149.1 | 0 | 0 | 0 | 111.7 | A57 Q58 K64 G65 | A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 3.3Å; Q58-L61 WeakPolarHBondContact O-CB 3.4Å; Q58-L61 PolarHBondContact O-N 3.07Å; Q58-L61 VanDerWaalsContact O-N 3.1Å; L61-K64 PolarHBondContact O-N 3.38Å; L61-G65 PolarHBondContact O-N 2.76Å |
| 62 | D | 97.6 | Very high | 97.1 | Very high | 78 Ų | 78 | 91.7 Ų | 91.7 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.4 | -67.1 | -29.8 | 0 | 0 | 0 | 111.7 | Q58 G65 Q66 | Q58-D62 PolarHBondContact NE2-OD1 3.44Å; Q58-D62 PolarHBondContact NE2-OD2 2.99Å; Q58-D62 VanDerWaalsContact O-CG 3.3Å; Q58-D62 PolarHBondContact O-N 3.06Å; D62-G65 PolarHBondContact O-N 2.7Å; D62-Q66 WeakPolarHBondContact O-CG 3.46Å; D62-Q66 PolarHBondContact O-N 3.21Å |
| 63 | Q | 97.7 | Very high | 97.1 | Very high | 105 Ų | 105 | 93 Ų | 93 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 172.4 | -72.2 | 171.8 | 6.7 | 0 | 0 | 111.7 | T59 C60 G65 Q66 E67 | T59-Q63 VanDerWaalsContact O-CG 3.3Å; T59-Q63 WeakPolarHBondContact O-CG 3.42Å; T59-Q63 PolarHBondContact O-N 2.95Å; T59-Q63 VanDerWaalsContact O-N 3.1Å; C60-Q63 PolarHBondContact O-N 2.91Å; Q63-G65 VanDerWaalsContact C-N 3.32Å; Q63-G65 PolarHBondContact O-N 3.45Å; Q63-Q66 WeakPolarHBondContact O-CB 3.44Å; Q63-Q66 PolarHBondContact O-N 2.93Å; Q63-E67 PolarHBondContact O-N 2.88Å |
| 64 | K | 96 | Very high | 97.1 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -32.2 | 175.4 | -65.8 | -52 | 179 | -162.4 | 0 | 112.9 | C60 L61 Q66 E67 V68 | C60-K64 WeakPolarHBondContact O-CG 3.37Å; C60-K64 PolarHBondContact O-N 3.24Å; L61-K64 PolarHBondContact O-N 3.38Å; K64-Q66 VanDerWaalsContact C-N 3.35Å; K64-E67 VanDerWaalsContact CD-OE2 3.29Å; K64-E67 WeakPolarHBondContact CD-OE2 3.3Å; K64-E67 IonicContact NZ-OE1 2.9Å; K64-E67 PolarHBondContact NZ-OE1 3.42Å; K64-E67 IonicContact NZ-OE2 2.88Å; K64-E67 PolarHBondContact NZ-OE2 2.97Å; K64-E67 PolarHBondContact O-N 3.39Å; K64-V68 WeakPolarHBondContact O-CB 3.44Å; K64-V68 VanDerWaalsContact O-CG2 3.3Å; K64-V68 WeakPolarHBondContact O-CG2 3.48Å; K64-V68 PolarHBondContact O-N 3.2Å |
| 65 | G | 95.8 | Very high | 97 | Very high | 45 Ų | 45 | 93.5 Ų | 93.5 | 46% | 0.464 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59 | -44 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 D62 Q63 G69 | L61-G65 PolarHBondContact O-N 2.76Å; D62-G65 PolarHBondContact O-N 2.7Å; Q63-G65 VanDerWaalsContact C-N 3.32Å; Q63-G65 PolarHBondContact O-N 3.45Å; G65-G69 PolarHBondContact O-N 3.4Å |
| 66 | Q | 97.8 | Very high | 97.1 | Very high | 146 Ų | 146 | 94.5 Ų | 94.5 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.5 | -44.2 | 176.5 | -66.2 | 173.9 | 21 | 0 | 0 | 112.4 | D62 Q63 K64 V68 G69 L70 | D62-Q66 WeakPolarHBondContact O-CG 3.46Å; D62-Q66 PolarHBondContact O-N 3.21Å; Q63-Q66 WeakPolarHBondContact O-CB 3.44Å; Q63-Q66 PolarHBondContact O-N 2.93Å; K64-Q66 VanDerWaalsContact C-N 3.35Å; Q66-V68 PolarHBondContact O-N 2.94Å; Q66-G69 PolarHBondContact O-N 2.99Å; Q66-L70 PolarHBondContact O-N 3.32Å |
| 67 | E | 97 | Very high | 97.2 | Very high | 92 Ų | 92 | 93.3 Ų | 93.3 | 43% | 0.43 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.7 | -48 | 174.5 | -74.1 | 175.4 | -149.4 | 0 | 0 | 111.7 | Q63 K64 G69 L70 L71 | Q63-E67 PolarHBondContact O-N 2.88Å; K64-E67 VanDerWaalsContact CD-OE2 3.29Å; K64-E67 WeakPolarHBondContact CD-OE2 3.3Å; K64-E67 IonicContact NZ-OE1 2.9Å; K64-E67 PolarHBondContact NZ-OE1 3.42Å; K64-E67 IonicContact NZ-OE2 2.88Å; K64-E67 PolarHBondContact NZ-OE2 2.97Å; K64-E67 PolarHBondContact O-N 3.39Å; E67-G69 VanDerWaalsContact C-N 3.32Å; E67-G69 PolarHBondContact O-N 3.15Å; E67-L70 PolarHBondContact O-N 2.94Å; E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 2.86Å |
| 68 | V | 97 | Very high | 97.2 | Very high | 73 Ų | 73 | 95.8 Ų | 95.8 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.4 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | K64 Q66 L71 R72 | K64-V68 WeakPolarHBondContact O-CB 3.44Å; K64-V68 VanDerWaalsContact O-CG2 3.3Å; K64-V68 WeakPolarHBondContact O-CG2 3.48Å; K64-V68 PolarHBondContact O-N 3.2Å; Q66-V68 PolarHBondContact O-N 2.94Å; V68-L71 PolarHBondContact O-N 2.96Å; V68-R72 HydrophobicContact CG1-CG 4.48Å; V68-R72 WeakPolarHBondContact O-CB 3.47Å; V68-R72 WeakPolarHBondContact O-CG 3.48Å; V68-R72 PolarHBondContact O-N 3.26Å |
| 69 | G | 97.1 | Very high | 97.2 | Very high | 38 Ų | 38 | 96.2 Ų | 96.2 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G65 Q66 E67 R72 Q73 | G65-G69 PolarHBondContact O-N 3.4Å; Q66-G69 PolarHBondContact O-N 2.99Å; E67-G69 VanDerWaalsContact C-N 3.32Å; E67-G69 PolarHBondContact O-N 3.15Å; G69-R72 PolarHBondContact O-N 2.86Å; G69-Q73 PolarHBondContact O-N 3.29Å |
| 70 | L | 98 | Very high | 97.3 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.1 | -172.4 | 71.6 | 0 | 0 | 0 | 112.1 | Q66 E67 Q73 K74 | Q66-L70 PolarHBondContact O-N 3.32Å; E67-L70 PolarHBondContact O-N 2.94Å; L70-Q73 PolarHBondContact O-N 3.17Å; L70-K74 WeakPolarHBondContact O-CG 3.44Å; L70-K74 PolarHBondContact O-N 2.68Å |
| 71 | L | 97.6 | Very high | 97.3 | Very high | 107 Ų | 107 | 98.9 Ų | 98.9 | 56% | 0.56 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -40.8 | 176.5 | -71.6 | 172.2 | 0 | 0 | 0 | 111.9 | E67 V68 K74 L75 | E67-L71 WeakPolarHBondContact O-CG 3.34Å; E67-L71 PolarHBondContact O-N 2.86Å; V68-L71 PolarHBondContact O-N 2.96Å; L71-K74 PolarHBondContact O-N 3.24Å; L71-L75 WeakPolarHBondContact O-CB 3.23Å; L71-L75 PolarHBondContact O-N 3.35Å |
| 72 | R | 97 | Very high | 97.2 | Very high | 185 Ų | 185 | 98 Ų | 98 | 70% | 0.698 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -42.9 | 173.4 | -76.4 | 174.4 | 176.9 | -123.3 | 0.8 | 112 | V68 G69 L75 D76 | V68-R72 HydrophobicContact CG1-CG 4.48Å; V68-R72 WeakPolarHBondContact O-CB 3.47Å; V68-R72 WeakPolarHBondContact O-CG 3.48Å; V68-R72 PolarHBondContact O-N 3.26Å; G69-R72 PolarHBondContact O-N 2.86Å; R72-L75 PolarHBondContact O-N 3.27Å; R72-D76 PolarHBondContact O-N 3.04Å |
| 73 | Q | 97.8 | Very high | 97.2 | Very high | 133 Ų | 133 | 99.3 Ų | 99.3 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 176.2 | -171.8 | -176.2 | 11.1 | 0 | 0 | 112 | G69 L70 S77 | G69-Q73 PolarHBondContact O-N 3.29Å; L70-Q73 PolarHBondContact O-N 3.17Å; Q73-S77 WeakPolarHBondContact O-CB 3.37Å; Q73-S77 PolarHBondContact O-N 2.94Å |
| 74 | K | 97 | Very high | 97.2 | Very high | 123 Ų | 123 | 97 Ų | 97 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.9 | -74.5 | 179 | 178.5 | -178.7 | 0 | 111.7 | L70 L71 S77 L78 | L70-K74 WeakPolarHBondContact O-CG 3.44Å; L70-K74 PolarHBondContact O-N 2.68Å; L71-K74 PolarHBondContact O-N 3.24Å; K74-S77 PolarHBondContact O-N 3.02Å; K74-S77 PolarHBondContact O-OG 3.08Å; K74-L78 WeakPolarHBondContact O-CB 3.33Å; K74-L78 PolarHBondContact O-N 3.42Å |
| 75 | L | 96.4 | Very high | 97.2 | Very high | 96 Ų | 96 | 96.5 Ų | 96.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.1 | -50.6 | 177.8 | -176.6 | 63.5 | 0 | 0 | 0 | 111.6 | L71 R72 S77 L78 E79 | L71-L75 WeakPolarHBondContact O-CB 3.23Å; L71-L75 PolarHBondContact O-N 3.35Å; R72-L75 PolarHBondContact O-N 3.27Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.16Å; L75-L78 PolarHBondContact O-N 2.93Å; L75-L78 VanDerWaalsContact O-N 3.07Å; L75-E79 PolarHBondContact O-N 3.15Å |
| 76 | D | 98.1 | Very high | 97.3 | Very high | 69 Ų | 69 | 98 Ų | 98 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.3 | -41.1 | 176 | 167.5 | 80.6 | 0 | 0 | 0 | 112.4 | R72 L78 K80 | R72-D76 PolarHBondContact O-N 3.04Å; D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 PolarHBondContact O-N 3.46Å; D76-K80 WeakPolarHBondContact O-CB 3.36Å; D76-K80 WeakPolarHBondContact O-CD 3.32Å; D76-K80 VanDerWaalsContact O-CG 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.01Å; D76-K80 WeakPolarHBondContact OD1-CE 3.06Å; D76-K80 IonicContact OD1-NZ 2.63Å; D76-K80 PolarHBondContact OD1-NZ 2.63Å; D76-K80 WeakPolarHBondContact OD2-CE 3.29Å; D76-K80 IonicContact OD2-NZ 3.2Å; D76-K80 PolarHBondContact OD2-NZ 3.09Å |
| 77 | S | 97.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 97.5 Ų | 97.5 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 176 | 75.5 | 0 | 0 | 0 | 0 | 113 | Q73 K74 L75 C81 | Q73-S77 WeakPolarHBondContact O-CB 3.37Å; Q73-S77 PolarHBondContact O-N 2.94Å; K74-S77 PolarHBondContact O-N 3.02Å; K74-S77 PolarHBondContact O-OG 3.08Å; L75-S77 VanDerWaalsContact C-N 3.31Å; L75-S77 PolarHBondContact O-N 3.16Å; S77-C81 WeakPolarHBondContact O-CB 3.49Å; S77-C81 PolarHBondContact O-N 3.5Å |
| 78 | L | 97.5 | Very high | 97.3 | Very high | 111 Ų | 111 | 97.7 Ų | 97.7 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.7 | -40 | 179.5 | -174.3 | 143.7 | 0 | 0 | 0 | 111.5 | K74 L75 D76 C81 N82 | K74-L78 WeakPolarHBondContact O-CB 3.33Å; K74-L78 PolarHBondContact O-N 3.42Å; L75-L78 PolarHBondContact O-N 2.93Å; L75-L78 VanDerWaalsContact O-N 3.07Å; D76-L78 VanDerWaalsContact C-N 3.34Å; D76-L78 PolarHBondContact O-N 3.46Å; L78-C81 PolarHBondContact O-N 3.11Å; L78-N82 VanDerWaalsContact O-CB 3.32Å; L78-N82 WeakPolarHBondContact O-CB 3.47Å; L78-N82 PolarHBondContact O-N 3.46Å |
| 79 | E | 97.4 | Very high | 97.4 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 172 | -74.6 | -179.6 | 179.9 | 0 | 0 | 111.3 | L75 C81 N82 L83 | L75-E79 PolarHBondContact O-N 3.15Å; E79-C81 PolarHBondContact O-N 2.94Å; E79-N82 PolarHBondContact O-N 3.46Å; E79-L83 WeakPolarHBondContact O-CB 3.46Å; E79-L83 VanDerWaalsContact O-CG 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 3.33Å |
| 80 | K | 98.1 | Very high | 97.4 | Very high | 122 Ų | 122 | 104.4 Ų | 104.4 | 53% | 0.53 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 175.4 | -75.2 | 167.4 | -179.3 | 163.2 | 0 | 112.6 | D76 A84 | D76-K80 WeakPolarHBondContact O-CB 3.36Å; D76-K80 WeakPolarHBondContact O-CD 3.32Å; D76-K80 VanDerWaalsContact O-CG 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.49Å; D76-K80 PolarHBondContact O-N 3.01Å; D76-K80 WeakPolarHBondContact OD1-CE 3.06Å; D76-K80 IonicContact OD1-NZ 2.63Å; D76-K80 PolarHBondContact OD1-NZ 2.63Å; D76-K80 WeakPolarHBondContact OD2-CE 3.29Å; D76-K80 IonicContact OD2-NZ 3.2Å; D76-K80 PolarHBondContact OD2-NZ 3.09Å; K80-A84 WeakPolarHBondContact O-CB 3.46Å; K80-A84 PolarHBondContact O-N 3.08Å; K80-A84 VanDerWaalsContact O-N 3.07Å |
| 81 | C | 97.4 | Very high | 97.4 | Very high | 76 Ų | 76 | 101.9 Ų | 101.9 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | S77 L78 E79 A84 M85 | S77-C81 WeakPolarHBondContact O-CB 3.49Å; S77-C81 PolarHBondContact O-N 3.5Å; L78-C81 PolarHBondContact O-N 3.11Å; E79-C81 PolarHBondContact O-N 2.94Å; C81-A84 PolarHBondContact O-N 3.04Å; C81-M85 WeakPolarHBondContact O-CB 3.49Å; C81-M85 PolarHBondContact O-N 2.93Å |
| 82 | N | 95.5 | Very high | 97.4 | Very high | 91 Ų | 91 | 102 Ų | 102 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | -179.9 | -166.6 | 15.4 | 0 | 0 | 0 | 112.2 | L78 E79 M85 T86 | L78-N82 VanDerWaalsContact O-CB 3.32Å; L78-N82 WeakPolarHBondContact O-CB 3.47Å; L78-N82 PolarHBondContact O-N 3.46Å; E79-N82 PolarHBondContact O-N 3.46Å; N82-M85 PolarHBondContact O-N 3.07Å; N82-T86 WeakPolarHBondContact O-CB 3.41Å; N82-T86 PolarHBondContact O-N 2.88Å; N82-T86 PolarHBondContact O-OG1 2.97Å |
| 83 | L | 97.6 | Very high | 97.4 | Very high | 107 Ų | 107 | 97.3 Ų | 97.3 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.3 | -48.4 | 172.2 | -77.1 | 167.8 | 0 | 0 | 0 | 111.7 | E79 M85 T86 Q87 | E79-L83 WeakPolarHBondContact O-CB 3.46Å; E79-L83 VanDerWaalsContact O-CG 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.32Å; E79-L83 PolarHBondContact O-N 3.33Å; L83-M85 VanDerWaalsContact C-N 3.34Å; L83-M85 PolarHBondContact O-N 3.26Å; L83-T86 PolarHBondContact O-N 3.41Å; L83-Q87 WeakPolarHBondContact O-CG 3.39Å; L83-Q87 PolarHBondContact O-N 2.65Å |
| 84 | A | 97.9 | Very high | 97.4 | Very high | 55 Ų | 55 | 96.2 Ų | 96.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K80 C81 Q87 N88 | K80-A84 WeakPolarHBondContact O-CB 3.46Å; K80-A84 PolarHBondContact O-N 3.08Å; K80-A84 VanDerWaalsContact O-N 3.07Å; C81-A84 PolarHBondContact O-N 3.04Å; A84-Q87 PolarHBondContact O-N 3.29Å; A84-N88 PolarHBondContact O-N 2.98Å |
| 85 | M | 96.4 | Very high | 97.5 | Very high | 94 Ų | 94 | 93.2 Ų | 93.2 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 175.4 | -171.4 | -177.4 | -61.7 | 0 | 0 | 111.7 | C81 N82 L83 N88 Y89 | C81-M85 WeakPolarHBondContact O-CB 3.49Å; C81-M85 PolarHBondContact O-N 2.93Å; N82-M85 PolarHBondContact O-N 3.07Å; L83-M85 VanDerWaalsContact C-N 3.34Å; L83-M85 PolarHBondContact O-N 3.26Å; M85-N88 WeakPolarHBondContact O-CB 3.5Å; M85-N88 PolarHBondContact O-N 3.44Å; M85-Y89 HydrophobicContact CG-CD2 3.89Å; M85-Y89 HydrophobicContact CG-CE2 3.49Å; M85-Y89 VanDerWaalsContact CG-CE2 3.49Å; M85-Y89 VanDerWaalsContact O-CD2 3.28Å; M85-Y89 WeakPolarHBondContact O-CD2 3.46Å; M85-Y89 PolarHBondContact O-N 3.45Å; M85-Y89 HydrophobicContact SD-CE2 3.9Å |
| 86 | T | 97.2 | Very high | 97.5 | Very high | 77 Ų | 77 | 92.9 Ų | 92.9 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 176.3 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | N82 L83 N88 Y89 E90 | N82-T86 WeakPolarHBondContact O-CB 3.41Å; N82-T86 PolarHBondContact O-N 2.88Å; N82-T86 PolarHBondContact O-OG1 2.97Å; L83-T86 PolarHBondContact O-N 3.41Å; T86-N88 VanDerWaalsContact C-N 3.31Å; T86-N88 PolarHBondContact O-N 3.4Å; T86-Y89 PolarHBondContact O-N 2.94Å; T86-E90 WeakPolarHBondContact O-CB 3.27Å; T86-E90 PolarHBondContact O-N 2.98Å |
| 87 | Q | 98.1 | Very high | 97.5 | Very high | 134 Ų | 134 | 95.5 Ų | 95.5 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -37.6 | 175.5 | -72.7 | 173 | -2.3 | 0 | 0 | 112.5 | L83 A84 E90 G91 | L83-Q87 WeakPolarHBondContact O-CG 3.39Å; L83-Q87 PolarHBondContact O-N 2.65Å; A84-Q87 PolarHBondContact O-N 3.29Å; Q87-E90 PolarHBondContact O-N 3.27Å; Q87-G91 PolarHBondContact O-N 2.69Å |
| 88 | N | 97.9 | Very high | 97.5 | Very high | 97 Ų | 97 | 95.1 Ų | 95.1 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 175.6 | -169.5 | -38.2 | 0 | 0 | 0 | 111.3 | A84 M85 T86 E90 G91 Q92 | A84-N88 PolarHBondContact O-N 2.98Å; M85-N88 WeakPolarHBondContact O-CB 3.5Å; M85-N88 PolarHBondContact O-N 3.44Å; T86-N88 VanDerWaalsContact C-N 3.31Å; T86-N88 PolarHBondContact O-N 3.4Å; N88-E90 VanDerWaalsContact C-N 3.32Å; N88-E90 PolarHBondContact O-N 2.93Å; N88-G91 PolarHBondContact O-N 3.32Å; N88-Q92 WeakPolarHBondContact O-CG 3.37Å; N88-Q92 PolarHBondContact O-N 2.91Å; N88-Q92 PolarHBondContact OD1-NE2 2.92Å |
| 89 | Y | 97.8 | Very high | 97.6 | Very high | 146 Ų | 146 | 95.5 Ų | 95.5 | 57% | 0.573 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.9 | -36.5 | 176.5 | -72.6 | -53.8 | 0 | 0 | 0 | 112.9 | M85 T86 Q92 L93 | M85-Y89 HydrophobicContact CG-CD2 3.89Å; M85-Y89 HydrophobicContact CG-CE2 3.49Å; M85-Y89 VanDerWaalsContact CG-CE2 3.49Å; M85-Y89 VanDerWaalsContact O-CD2 3.28Å; M85-Y89 WeakPolarHBondContact O-CD2 3.46Å; M85-Y89 PolarHBondContact O-N 3.45Å; M85-Y89 HydrophobicContact SD-CE2 3.9Å; T86-Y89 PolarHBondContact O-N 2.94Å; Y89-Q92 PolarHBondContact O-N 3.39Å; Y89-L93 WeakPolarHBondContact O-CB 3.41Å; Y89-L93 PolarHBondContact O-N 3.08Å |
| 90 | E | 97.6 | Very high | 97.5 | Very high | 106 Ų | 106 | 96.5 Ų | 96.5 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 173.5 | -165.8 | -176.1 | 169.3 | 0 | 0 | 111.2 | T86 Q87 N88 Q92 L93 Q94 | T86-E90 WeakPolarHBondContact O-CB 3.27Å; T86-E90 PolarHBondContact O-N 2.98Å; Q87-E90 PolarHBondContact O-N 3.27Å; N88-E90 VanDerWaalsContact C-N 3.32Å; N88-E90 PolarHBondContact O-N 2.93Å; E90-Q92 PolarHBondContact O-N 2.92Å; E90-L93 PolarHBondContact O-N 3.33Å; E90-Q94 HydrophobicContact CG-CG 4.48Å; E90-Q94 WeakPolarHBondContact O-CB 3.43Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.39Å; E90-Q94 PolarHBondContact O-N 2.95Å; E90-Q94 PolarHBondContact OE1-NE2 3.06Å |
| 91 | G | 98 | Very high | 97.5 | Very high | 37 Ų | 37 | 94.1 Ų | 94.1 | 38% | 0.381 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q87 N88 Q94 S95 | Q87-G91 PolarHBondContact O-N 2.69Å; N88-G91 PolarHBondContact O-N 3.32Å; G91-Q94 PolarHBondContact O-N 3.02Å; G91-S95 WeakPolarHBondContact O-CB 3.27Å; G91-S95 PolarHBondContact O-N 2.65Å |
| 92 | Q | 97.8 | Very high | 97.5 | Very high | 110 Ų | 110 | 97.4 Ų | 97.4 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 173.6 | -69 | -177.7 | 40.8 | 0 | 0 | 111.7 | N88 Y89 E90 Q94 S95 L96 | N88-Q92 WeakPolarHBondContact O-CG 3.37Å; N88-Q92 PolarHBondContact O-N 2.91Å; N88-Q92 PolarHBondContact OD1-NE2 2.92Å; Y89-Q92 PolarHBondContact O-N 3.39Å; E90-Q92 PolarHBondContact O-N 2.92Å; Q92-Q94 PolarHBondContact O-N 3.23Å; Q92-S95 WeakPolarHBondContact O-CB 3.43Å; Q92-S95 PolarHBondContact O-N 3.42Å; Q92-L96 WeakPolarHBondContact O-CB 3.42Å; Q92-L96 PolarHBondContact O-N 2.65Å |
| 93 | L | 97.6 | Very high | 97.6 | Very high | 87 Ų | 87 | 98.5 Ų | 98.5 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 178.1 | -178.9 | 63.3 | 0 | 0 | 0 | 112 | Y89 E90 L96 K97 | Y89-L93 WeakPolarHBondContact O-CB 3.41Å; Y89-L93 PolarHBondContact O-N 3.08Å; E90-L93 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-K97 HydrophobicContact CG-CD 4.4Å; L93-K97 WeakPolarHBondContact O-CB 3.43Å; L93-K97 VanDerWaalsContact O-CG 3.28Å; L93-K97 WeakPolarHBondContact O-CG 3.5Å; L93-K97 PolarHBondContact O-N 2.95Å |
| 94 | Q | 97.9 | Very high | 97.5 | Very high | 109 Ų | 109 | 96.7 Ų | 96.7 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 174.5 | -71.1 | 178.9 | 17.9 | 0 | 0 | 111.4 | E90 G91 Q92 K97 A98 | E90-Q94 HydrophobicContact CG-CG 4.48Å; E90-Q94 WeakPolarHBondContact O-CB 3.43Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.39Å; E90-Q94 PolarHBondContact O-N 2.95Å; E90-Q94 PolarHBondContact OE1-NE2 3.06Å; G91-Q94 PolarHBondContact O-N 3.02Å; Q92-Q94 PolarHBondContact O-N 3.23Å; Q94-K97 PolarHBondContact O-N 2.95Å; Q94-A98 PolarHBondContact O-N 3.05Å |
| 95 | S | 97.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 98.1 Ų | 98.1 | 43% | 0.427 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | G91 Q92 K97 A98 Q99 | G91-S95 WeakPolarHBondContact O-CB 3.27Å; G91-S95 PolarHBondContact O-N 2.65Å; Q92-S95 WeakPolarHBondContact O-CB 3.43Å; Q92-S95 PolarHBondContact O-N 3.42Å; S95-K97 PolarHBondContact O-N 3Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 2.97Å; S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 2.93Å |
| 96 | L | 97.8 | Very high | 97.4 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 47% | 0.466 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 178 | -170.5 | 66.1 | 0 | 0 | 0 | 111.5 | Q92 L93 A98 Q99 F100 | Q92-L96 WeakPolarHBondContact O-CB 3.42Å; Q92-L96 PolarHBondContact O-N 2.65Å; L93-L96 PolarHBondContact O-N 2.88Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 2.68Å; L96-Q99 PolarHBondContact O-N 3.4Å; L96-F100 HydrophobicContact CD1-CD2 4.34Å; L96-F100 HydrophobicContact CD1-CE2 4.17Å; L96-F100 HydrophobicContact CD2-CE2 4.45Å; L96-F100 HydrophobicContact CG-CD2 4.05Å; L96-F100 HydrophobicContact CG-CE2 4.06Å; L96-F100 WeakPolarHBondContact O-CD2 3.44Å; L96-F100 PolarHBondContact O-N 3.25Å |
| 97 | K | 97.4 | Very high | 97.3 | Very high | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 172.7 | -76.9 | 170.6 | 178.9 | 174.2 | 0 | 112 | L93 Q94 S95 F100 S101 | L93-K97 HydrophobicContact CG-CD 4.4Å; L93-K97 WeakPolarHBondContact O-CB 3.43Å; L93-K97 VanDerWaalsContact O-CG 3.28Å; L93-K97 WeakPolarHBondContact O-CG 3.5Å; L93-K97 PolarHBondContact O-N 2.95Å; Q94-K97 PolarHBondContact O-N 2.95Å; S95-K97 PolarHBondContact O-N 3Å; K97-F100 PolarHBondContact O-N 3.11Å; K97-S101 PolarHBondContact O-N 3.43Å; K97-S101 PolarHBondContact O-OG 3.47Å |
| 98 | A | 97.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 98.6 Ų | 98.6 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q94 S95 L96 S101 K102 | Q94-A98 PolarHBondContact O-N 3.05Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 2.97Å; L96-A98 VanDerWaalsContact C-N 3.33Å; L96-A98 PolarHBondContact O-N 2.68Å; A98-S101 PolarHBondContact O-N 3.44Å; A98-K102 WeakPolarHBondContact O-CB 3.47Å; A98-K102 PolarHBondContact O-N 3.21Å |
| 99 | Q | 97.9 | Very high | 97 | Very high | 119 Ų | 119 | 100.5 Ų | 100.5 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 173.8 | -68.9 | -178.2 | 50.7 | 0 | 0 | 112.1 | S95 L96 K102 L103 | S95-Q99 WeakPolarHBondContact O-CG 3.44Å; S95-Q99 PolarHBondContact O-N 2.93Å; L96-Q99 PolarHBondContact O-N 3.4Å; Q99-K102 WeakPolarHBondContact O-CB 3.46Å; Q99-K102 PolarHBondContact O-N 3.48Å; Q99-L103 WeakPolarHBondContact O-CB 3.47Å; Q99-L103 PolarHBondContact O-N 3.45Å |
| 100 | F | 96.8 | Very high | 96.8 | Very high | 126 Ų | 126 | 98.8 Ų | 98.8 | 55% | 0.553 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.9 | -48.2 | 173.3 | -94.1 | -78.1 | 0 | 0 | 0 | 111.9 | L96 K97 K102 L103 T104 | L96-F100 HydrophobicContact CD1-CD2 4.34Å; L96-F100 HydrophobicContact CD1-CE2 4.17Å; L96-F100 HydrophobicContact CD2-CE2 4.45Å; L96-F100 HydrophobicContact CG-CD2 4.05Å; L96-F100 HydrophobicContact CG-CE2 4.06Å; L96-F100 WeakPolarHBondContact O-CD2 3.44Å; L96-F100 PolarHBondContact O-N 3.25Å; K97-F100 PolarHBondContact O-N 3.11Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 2.75Å; F100-L103 PolarHBondContact O-N 2.99Å; F100-L103 VanDerWaalsContact O-N 3.1Å; F100-T104 PolarHBondContact O-N 3.06Å; F100-T104 PolarHBondContact O-OG1 3.41Å; F100-T104 VanDerWaalsContact O-OG1 3.09Å |
| 101 | S | 96.9 | Very high | 96.4 | Very high | 71 Ų | 71 | 101 Ų | 101 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -39.2 | 175.5 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | K97 A98 N105 | K97-S101 PolarHBondContact O-N 3.43Å; K97-S101 PolarHBondContact O-OG 3.47Å; A98-S101 PolarHBondContact O-N 3.44Å; S101-N105 WeakPolarHBondContact O-CB 3.48Å; S101-N105 VanDerWaalsContact O-CG 3.28Å; S101-N105 PolarHBondContact O-N 2.84Å; S101-N105 PolarHBondContact O-ND2 2.93Å |
| 102 | K | 97.9 | Very high | 96 | Very high | 146 Ų | 146 | 104.3 Ų | 104.3 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 174.8 | -170.7 | 179.2 | -178.1 | -178.4 | 0 | 111.9 | A98 Q99 F100 N106 | A98-K102 WeakPolarHBondContact O-CB 3.47Å; A98-K102 PolarHBondContact O-N 3.21Å; Q99-K102 WeakPolarHBondContact O-CB 3.46Å; Q99-K102 PolarHBondContact O-N 3.48Å; F100-K102 VanDerWaalsContact C-N 3.28Å; F100-K102 PolarHBondContact O-N 2.75Å; K102-N106 WeakPolarHBondContact O-CB 3.47Å; K102-N106 VanDerWaalsContact O-CG 3.22Å; K102-N106 PolarHBondContact O-N 3.14Å; K102-N106 PolarHBondContact O-ND2 2.76Å |
| 103 | L | 97.2 | Very high | 95.5 | Very high | 113 Ų | 113 | 104.3 Ų | 104.3 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.1 | -45.9 | 177.8 | -176.3 | 61.2 | 0 | 0 | 0 | 111.8 | Q99 F100 N105 N106 F107 | Q99-L103 WeakPolarHBondContact O-CB 3.47Å; Q99-L103 PolarHBondContact O-N 3.45Å; F100-L103 PolarHBondContact O-N 2.99Å; F100-L103 VanDerWaalsContact O-N 3.1Å; L103-N105 PolarHBondContact O-N 3.15Å; L103-N106 PolarHBondContact O-N 3.03Å; L103-N106 VanDerWaalsContact O-N 3.15Å; L103-F107 WeakPolarHBondContact O-CB 3.5Å; L103-F107 PolarHBondContact O-N 2.93Å |
| 104 | T | 96.4 | Very high | 94.6 | Very high | 69 Ų | 69 | 105.6 Ų | 105.6 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58 | -48.6 | 175 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | F100 N106 F107 E108 | F100-T104 PolarHBondContact O-N 3.06Å; F100-T104 PolarHBondContact O-OG1 3.41Å; F100-T104 VanDerWaalsContact O-OG1 3.09Å; T104-N106 VanDerWaalsContact C-N 3.28Å; T104-N106 PolarHBondContact O-N 3.38Å; T104-F107 PolarHBondContact O-N 3.07Å; T104-F107 VanDerWaalsContact O-N 3.16Å; T104-E108 WeakPolarHBondContact O-CG 3.44Å; T104-E108 PolarHBondContact O-N 3.44Å |
| 105 | N | 96 | Very high | 93.6 | Very high | 86 Ų | 86 | 105.8 Ų | 105.8 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.4 | -37.1 | 175.9 | -79.1 | -47.9 | 0 | 0 | 0 | 112.8 | S101 L103 K109 | S101-N105 WeakPolarHBondContact O-CB 3.48Å; S101-N105 VanDerWaalsContact O-CG 3.28Å; S101-N105 PolarHBondContact O-N 2.84Å; S101-N105 PolarHBondContact O-ND2 2.93Å; L103-N105 PolarHBondContact O-N 3.15Å; N105-K109 VanDerWaalsContact O-CG 3.25Å; N105-K109 WeakPolarHBondContact O-CG 3.49Å; N105-K109 PolarHBondContact O-N 2.99Å; N105-K109 VanDerWaalsContact O-N 3.15Å |
| 106 | N | 96.4 | Very high | 92.9 | Very high | 83 Ų | 83 | 110.2 Ų | 110.2 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 175.9 | -72.7 | -17.8 | 0 | 0 | 0 | 111.9 | K102 L103 T104 K109 L110 | K102-N106 WeakPolarHBondContact O-CB 3.47Å; K102-N106 VanDerWaalsContact O-CG 3.22Å; K102-N106 PolarHBondContact O-N 3.14Å; K102-N106 PolarHBondContact O-ND2 2.76Å; L103-N106 PolarHBondContact O-N 3.03Å; L103-N106 VanDerWaalsContact O-N 3.15Å; T104-N106 VanDerWaalsContact C-N 3.28Å; T104-N106 PolarHBondContact O-N 3.38Å; N106-K109 PolarHBondContact O-N 3.01Å; N106-L110 WeakPolarHBondContact O-CB 3.25Å; N106-L110 PolarHBondContact O-N 3.23Å |
| 107 | F | 94.9 | Very high | 91.5 | Very high | 128 Ų | 128 | 111.4 Ų | 111.4 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.8 | -43.5 | 175.9 | -180 | -98.3 | 0 | 0 | 0 | 111.9 | L103 T104 K109 L110 R111 | L103-F107 WeakPolarHBondContact O-CB 3.5Å; L103-F107 PolarHBondContact O-N 2.93Å; T104-F107 PolarHBondContact O-N 3.07Å; T104-F107 VanDerWaalsContact O-N 3.16Å; F107-K109 PolarHBondContact O-N 3.01Å; F107-L110 PolarHBondContact O-N 3.47Å; F107-R111 WeakPolarHBondContact O-CB 3.48Å; F107-R111 PolarHBondContact O-N 3.43Å |
| 108 | E | 95.1 | Very high | 89.7 | Confident | 103 Ų | 103 | 111.3 Ų | 111.3 | 48% | 0.481 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 174.8 | -73.2 | -174.6 | 173.1 | 0 | 0 | 112.3 | T104 L110 R111 L112 | T104-E108 WeakPolarHBondContact O-CG 3.44Å; T104-E108 PolarHBondContact O-N 3.44Å; E108-L110 PolarHBondContact O-N 3.05Å; E108-R111 PolarHBondContact O-N 3.47Å; E108-L112 WeakPolarHBondContact O-CB 3.5Å; E108-L112 VanDerWaalsContact O-CG 3.32Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 3.18Å |
| 109 | K | 94.7 | Very high | 88 | Confident | 137 Ų | 137 | 116.9 Ų | 116.9 | 60% | 0.596 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.5 | -43.9 | 173.1 | -75 | 170.1 | -176 | 176.5 | 0 | 112 | N105 N106 F107 L112 H113 | N105-K109 VanDerWaalsContact O-CG 3.25Å; N105-K109 WeakPolarHBondContact O-CG 3.49Å; N105-K109 PolarHBondContact O-N 2.99Å; N105-K109 VanDerWaalsContact O-N 3.15Å; N106-K109 PolarHBondContact O-N 3.01Å; F107-K109 PolarHBondContact O-N 3.01Å; K109-L112 PolarHBondContact O-N 3.39Å; K109-H113 WeakPolarHBondContact O-CB 3.37Å; K109-H113 PolarHBondContact O-N 3.45Å |
| 110 | L | 92.8 | Very high | 85.7 | Confident | 110 Ų | 110 | 116.1 Ų | 116.1 | 58% | 0.576 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -45.1 | 177.6 | -177.3 | 63.4 | 0 | 0 | 0 | 111.5 | N106 F107 E108 L112 H113 Q114 | N106-L110 WeakPolarHBondContact O-CB 3.25Å; N106-L110 PolarHBondContact O-N 3.23Å; F107-L110 PolarHBondContact O-N 3.47Å; E108-L110 PolarHBondContact O-N 3.05Å; L110-L112 PolarHBondContact O-N 2.9Å; L110-H113 WeakPolarHBondContact O-CB 3.45Å; L110-H113 PolarHBondContact O-N 2.85Å; L110-Q114 PolarHBondContact O-N 3.48Å |
| 111 | R | 89 | Confident | 83.3 | Confident | 153 Ų | 153 | 116.2 Ų | 116.2 | 58% | 0.577 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.6 | -43.1 | 175.7 | -175.3 | -178.8 | 179.4 | -169.8 | 1 | 111.8 | F107 E108 Q114 M115 | F107-R111 WeakPolarHBondContact O-CB 3.48Å; F107-R111 PolarHBondContact O-N 3.43Å; E108-R111 PolarHBondContact O-N 3.47Å; R111-Q114 PolarHBondContact O-N 3.13Å; R111-M115 WeakPolarHBondContact O-CB 3.34Å; R111-M115 VanDerWaalsContact O-CG 3.28Å; R111-M115 WeakPolarHBondContact O-CG 3.48Å; R111-M115 PolarHBondContact O-N 3.47Å |
| 112 | L | 90.8 | Very high | 81.1 | Confident | 106 Ų | 106 | 123.6 Ų | 123.6 | 56% | 0.555 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.7 | -38.3 | 174.4 | -77.8 | 165.4 | 0 | 0 | 0 | 112.1 | E108 K109 L110 K116 | E108-L112 WeakPolarHBondContact O-CB 3.5Å; E108-L112 VanDerWaalsContact O-CG 3.32Å; E108-L112 WeakPolarHBondContact O-CG 3.49Å; E108-L112 PolarHBondContact O-N 3.18Å; K109-L112 PolarHBondContact O-N 3.39Å; L110-L112 PolarHBondContact O-N 2.9Å; L112-K116 WeakPolarHBondContact O-CG 3.34Å; L112-K116 PolarHBondContact O-N 2.88Å |
| 113 | H | 86.2 | Confident | 78.6 | Confident | 111 Ų | 111 | 126.5 Ų | 126.5 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.5 | -49.7 | 173.9 | -179.6 | -84.9 | 0 | 0 | 0 | 111.3 | K109 L110 M115 K116 Q117 | K109-H113 WeakPolarHBondContact O-CB 3.37Å; K109-H113 PolarHBondContact O-N 3.45Å; L110-H113 WeakPolarHBondContact O-CB 3.45Å; L110-H113 PolarHBondContact O-N 2.85Å; H113-M115 VanDerWaalsContact C-N 3.33Å; H113-M115 PolarHBondContact O-N 2.96Å; H113-K116 WeakPolarHBondContact O-CB 3.41Å; H113-K116 PolarHBondContact O-N 2.93Å; H113-Q117 WeakPolarHBondContact O-CB 3.49Å; H113-Q117 PolarHBondContact O-N 3.2Å |
| 114 | Q | 78.9 | Confident | 75.9 | Confident | 114 Ų | 114 | 129.2 Ų | 129.2 | 53% | 0.533 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.4 | -41.8 | 178.4 | -164.9 | 179.6 | 19.9 | 0 | 0 | 111.8 | L110 R111 K116 Q117 N118 | L110-Q114 PolarHBondContact O-N 3.48Å; R111-Q114 PolarHBondContact O-N 3.13Å; Q114-K116 VanDerWaalsContact C-N 3.31Å; Q114-K116 PolarHBondContact O-N 2.83Å; Q114-Q117 PolarHBondContact O-N 2.89Å; Q114-N118 WeakPolarHBondContact O-CB 3.39Å; Q114-N118 VanDerWaalsContact O-CG 3.29Å; Q114-N118 PolarHBondContact O-N 3.18Å |
| 115 | M | 77.9 | Confident | 73.2 | Confident | 113 Ų | 113 | 133.6 Ų | 133.6 | 56% | 0.557 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.1 | -31.9 | 173.4 | -78.5 | -80 | 154.8 | 0 | 0 | 113.6 | R111 H113 K119 | R111-M115 WeakPolarHBondContact O-CB 3.34Å; R111-M115 VanDerWaalsContact O-CG 3.28Å; R111-M115 WeakPolarHBondContact O-CG 3.48Å; R111-M115 PolarHBondContact O-N 3.47Å; H113-M115 VanDerWaalsContact C-N 3.33Å; H113-M115 PolarHBondContact O-N 2.96Å; M115-K119 WeakPolarHBondContact O-CG 3.5Å |
| 116 | K | 82.7 | Confident | 71 | Confident | 153 Ų | 153 | 134.6 Ų | 134.6 | 67% | 0.665 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.2 | -39.7 | 172.5 | -74.5 | 174.6 | 178.5 | -177.4 | 0 | 111.8 | L112 H113 Q114 K119 | L112-K116 WeakPolarHBondContact O-CG 3.34Å; L112-K116 PolarHBondContact O-N 2.88Å; H113-K116 WeakPolarHBondContact O-CB 3.41Å; H113-K116 PolarHBondContact O-N 2.93Å; Q114-K116 VanDerWaalsContact C-N 3.31Å; Q114-K116 PolarHBondContact O-N 2.83Å; K116-K119 PolarHBondContact O-N 3.21Å |
| 117 | Q | 68.8 | Low | 68.4 | Low | 115 Ų | 115 | 139.1 Ų | 139.1 | 54% | 0.537 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64.5 | -42 | 179.5 | -165.2 | 173.8 | 18.2 | 0 | 0 | 111.6 | H113 Q114 K119 V120 | H113-Q117 WeakPolarHBondContact O-CB 3.49Å; H113-Q117 PolarHBondContact O-N 3.2Å; Q114-Q117 PolarHBondContact O-N 2.89Å; Q117-K119 PolarHBondContact O-N 3.2Å; Q117-V120 PolarHBondContact O-N 3.48Å; Q117-V120 VanDerWaalsContact O-N 3.13Å |
| 118 | N | 58.2 | Low | 66.2 | Low | 120 Ų | 120 | 139.6 Ų | 139.6 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -12.3 | 176.6 | -70.1 | -5.7 | 0 | 0 | 0 | 114.1 | Q114 | Q114-N118 WeakPolarHBondContact O-CB 3.39Å; Q114-N118 VanDerWaalsContact O-CG 3.29Å; Q114-N118 PolarHBondContact O-N 3.18Å |
| 119 | K | 62.8 | Low | 63.9 | Low | 178 Ų | 178 | 142.6 Ų | 142.6 | 77% | 0.774 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -6.1 | 173.9 | -73.8 | -178.2 | 178.3 | -171.1 | 0 | 113.5 | M115 K116 Q117 P121 | M115-K119 WeakPolarHBondContact O-CG 3.5Å; K116-K119 PolarHBondContact O-N 3.21Å; Q117-K119 PolarHBondContact O-N 3.2Å; K119-P121 WeakPolarHBondContact O-CD 3.12Å |
| 120 | V | 49.2 | Very low | 61.7 | Low | 103 Ų | 103 | 144.3 Ų | 144.3 | 62% | 0.624 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -90.4 | 115.3 | 172 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | Q117 R122 | Q117-V120 PolarHBondContact O-N 3.48Å; Q117-V120 VanDerWaalsContact O-N 3.13Å; V120-R122 PolarHBondContact O-N 2.88Å |
| 121 | P | 47.5 | Very low | 59.6 | Low | 128 Ų | 128 | 146.2 Ų | 146.2 | 83% | 0.831 | 70% | 0.699 | S | S | * | * | trans | -69.8 | 92.6 | -179.6 | -17 | 31.8 | 0 | 0 | 0 | 110.8 | K119 K123 | K119-P121 WeakPolarHBondContact O-CD 3.12Å; P121-K123 PolarHBondContact O-N 3.38Å | ||
| 122 | R | 50 | Low | 57.9 | Low | 226 Ų | 226 | 144.7 Ų | 144.7 | 85% | 0.853 | 70% | 0.701 | S | S | * | * | trans | -81.7 | 115.5 | 171.8 | -150.6 | 177 | -164.6 | -174.8 | 3.3 | 107.6 | V120 E124 | V120-R122 PolarHBondContact O-N 2.88Å; R122-E124 PolarHBondContact O-N 3.04Å | ||
| 123 | K | 45.3 | Very low | 56.2 | Low | 207 Ų | 207 | 143.3 Ų | 143.3 | 90% | 0.9 | 70% | 0.698 | S | S | * | * | trans | -49.6 | 125.8 | 176.7 | -75.3 | -180 | 173.6 | 179.8 | 0 | 109.8 | P121 | P121-K123 PolarHBondContact O-N 3.38Š| ||
| 124 | E | 41.4 | Very low | 54.6 | Low | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | -67.3 | 132.9 | -179.3 | -61 | -172.9 | 131.9 | 0 | 0 | 110.6 | R122 | R122-E124 PolarHBondContact O-N 3.04Š| ||
| 125 | L | 39.8 | Very low | 53.8 | Low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 71% | 0.714 | S | S | * | * | trans | -114.6 | 118.4 | 161.2 | -167.9 | 73.4 | 0 | 0 | 0 | 107 | H127 | L125-H127 PolarHBondContact O-N 3.31Å; L125-H127 VanDerWaalsContact O-N 3.14Å | ||
| 126 | P | 48.5 | Very low | 53.2 | Low | 107 Ų | 107 | 147.5 Ų | 147.5 | 70% | 0.695 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -88.5 | 85.2 | -164.5 | 33.8 | -35.4 | 0 | 0 | 0 | 112.1 | ||
| 127 | H | 42.4 | Very low | 52.6 | Low | 177 Ų | 177 | 143.6 Ų | 143.6 | 82% | 0.819 | 71% | 0.71 | S | S | * | * | trans | -152.3 | 13 | 168.6 | -104.2 | -58 | 0 | 0 | 0 | 117.3 | L125 | L125-H127 PolarHBondContact O-N 3.31Å; L125-H127 VanDerWaalsContact O-N 3.14Å | ||
| 128 | L | 49.1 | Very low | 52.9 | Low | 139 Ų | 139 | 142.5 Ų | 142.5 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | trans | -128.2 | 51.7 | -178.9 | -143.7 | 83.8 | 0 | 0 | 0 | 113 | ||||
| 129 | K | 45.2 | Very low | 54 | Low | 165 Ų | 165 | 142.6 Ų | 142.6 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | trans | -115.8 | -0.3 | -179 | -84.4 | -173.6 | 178 | 173.5 | 0 | 115.4 | P133 | K129-P133 WeakPolarHBondContact O-CD 3.4Å; K129-P133 WeakPolarHBondContact O-CG 3.18Å | ||
| 130 | E | 49 | Very low | 54.8 | Low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -98 | -25.8 | -172.6 | -73.7 | 177.9 | 136.4 | 0 | 0 | 115.7 | P133 | E130-P133 WeakPolarHBondContact O-CD 3.44Š|
| 131 | E | 48.3 | Very low | 56.7 | Low | 150 Ų | 150 | 139.2 Ų | 139.2 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -80 | -40.7 | -179.9 | -68.5 | 177.1 | 141.2 | 0 | 0 | 113.1 | F134 E135 | E131-F134 WeakPolarHBondContact O-CB 3.34Å; E131-F134 PolarHBondContact O-N 3.15Å; E131-E135 PolarHBondContact O-N 3.1Å |
| 132 | I | 53.3 | Low | 58.8 | Low | 121 Ų | 121 | 138.4 Ų | 138.4 | 62% | 0.621 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -61.5 | -39.5 | -177.5 | -55.5 | 172.1 | 0 | 0 | 0 | 113.1 | F134 L136 | I132-F134 VanDerWaalsContact C-N 3.27Å; I132-F134 PolarHBondContact O-N 3.15Å; I132-L136 PolarHBondContact O-N 2.86Å |
| 133 | P | 56.7 | Low | 60.7 | Low | 76 Ų | 76 | 131.5 Ų | 131.5 | 49% | 0.494 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -61.1 | -32.3 | 173 | -24.6 | 34.9 | 0 | 0 | 0 | 114 | K129 E130 S137 | K129-P133 WeakPolarHBondContact O-CD 3.4Å; K129-P133 WeakPolarHBondContact O-CG 3.18Å; E130-P133 WeakPolarHBondContact O-CD 3.44Å; P133-S137 VanDerWaalsContact O-CB 3.26Å; P133-S137 WeakPolarHBondContact O-CB 3.34Å; P133-S137 PolarHBondContact O-N 3.39Å |
| 134 | F | 51.7 | Low | 62.9 | Low | 154 Ų | 154 | 125.8 Ų | 125.8 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.4 | -42.9 | -174.9 | -167.1 | -99.5 | 0 | 0 | 0 | 112 | E131 I132 S137 N138 | E131-F134 WeakPolarHBondContact O-CB 3.34Å; E131-F134 PolarHBondContact O-N 3.15Å; I132-F134 VanDerWaalsContact C-N 3.27Å; I132-F134 PolarHBondContact O-N 3.15Å; F134-S137 WeakPolarHBondContact O-CB 3.49Å; F134-S137 PolarHBondContact O-N 3.5Å; F134-N138 WeakPolarHBondContact O-CB 3.31Å; F134-N138 PolarHBondContact O-N 3.48Å |
| 135 | E | 62.9 | Low | 65.3 | Low | 150 Ų | 150 | 122 Ų | 122 | 70% | 0.701 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -40.9 | 174.3 | -65.9 | -166 | 161.2 | 0 | 0 | 112.2 | E131 S137 N138 L139 | E131-E135 PolarHBondContact O-N 3.1Å; E135-S137 VanDerWaalsContact C-N 3.33Å; E135-S137 PolarHBondContact O-N 3.16Å; E135-N138 PolarHBondContact O-N 3.25Å; E135-L139 WeakPolarHBondContact O-CB 3.42Å; E135-L139 PolarHBondContact O-N 3.06Å |
| 136 | L | 65.1 | Low | 67.9 | Low | 122 Ų | 122 | 120.1 Ų | 120.1 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.1 | -39.8 | 176 | -168.3 | 71.6 | 0 | 0 | 0 | 111.5 | I132 N140 | I132-L136 PolarHBondContact O-N 2.86Å; L136-N140 VanDerWaalsContact O-CB 3.26Å; L136-N140 WeakPolarHBondContact O-CB 3.46Å; L136-N140 PolarHBondContact O-N 2.93Å |
| 137 | S | 69.3 | Low | 70.1 | Confident | 72 Ų | 72 | 120.4 Ų | 120.4 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.5 | -49.2 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | P133 F134 E135 L139 N140 Q141 | P133-S137 VanDerWaalsContact O-CB 3.26Å; P133-S137 WeakPolarHBondContact O-CB 3.34Å; P133-S137 PolarHBondContact O-N 3.39Å; F134-S137 WeakPolarHBondContact O-CB 3.49Å; F134-S137 PolarHBondContact O-N 3.5Å; E135-S137 VanDerWaalsContact C-N 3.33Å; E135-S137 PolarHBondContact O-N 3.16Å; S137-L139 PolarHBondContact O-N 2.95Å; S137-N140 PolarHBondContact O-N 2.9Å; S137-Q141 PolarHBondContact O-N 3.18Å |
| 138 | N | 76.4 | Confident | 72.6 | Confident | 92 Ų | 92 | 114.7 Ų | 114.7 | 49% | 0.492 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.1 | -43.2 | -179.7 | -169.6 | -2.3 | 0 | 0 | 0 | 112 | F134 E135 N140 Q141 K142 | F134-N138 WeakPolarHBondContact O-CB 3.31Å; F134-N138 PolarHBondContact O-N 3.48Å; E135-N138 PolarHBondContact O-N 3.25Å; N138-N140 VanDerWaalsContact C-N 3.34Å; N138-N140 PolarHBondContact O-N 3.43Å; N138-Q141 PolarHBondContact O-N 3.06Å; N138-K142 PolarHBondContact O-N 2.83Å |
| 139 | L | 81.3 | Confident | 74.8 | Confident | 121 Ų | 121 | 113.8 Ų | 113.8 | 63% | 0.634 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.5 | -38.4 | 175.6 | -173.7 | 63 | 0 | 0 | 0 | 112.2 | E135 S137 K142 L143 | E135-L139 WeakPolarHBondContact O-CB 3.42Å; E135-L139 PolarHBondContact O-N 3.06Å; S137-L139 PolarHBondContact O-N 2.95Å; L139-K142 PolarHBondContact O-N 2.85Å; L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 PolarHBondContact O-N 3.01Å |
| 140 | N | 78.3 | Confident | 77 | Confident | 93 Ų | 93 | 108.9 Ų | 108.9 | 50% | 0.497 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.9 | -36.9 | 178.5 | -159.1 | 31.8 | 0 | 0 | 0 | 111.9 | L136 S137 N138 L143 E144 | L136-N140 VanDerWaalsContact O-CB 3.26Å; L136-N140 WeakPolarHBondContact O-CB 3.46Å; L136-N140 PolarHBondContact O-N 2.93Å; S137-N140 PolarHBondContact O-N 2.9Å; N138-N140 VanDerWaalsContact C-N 3.34Å; N138-N140 PolarHBondContact O-N 3.43Å; N140-L143 WeakPolarHBondContact O-CB 3.28Å; N140-L143 PolarHBondContact O-N 3.25Å; N140-E144 PolarHBondContact O-N 3.46Å |
| 141 | Q | 89.6 | Confident | 79.2 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 55% | 0.547 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 170.2 | 177.6 | 177.5 | -20 | 0 | 0 | 111.1 | S137 N138 L143 E144 E145 | S137-Q141 PolarHBondContact O-N 3.18Å; N138-Q141 PolarHBondContact O-N 3.06Å; Q141-L143 VanDerWaalsContact C-N 3.26Å; Q141-L143 PolarHBondContact O-N 3.4Å; Q141-E144 PolarHBondContact O-N 2.96Å; Q141-E144 VanDerWaalsContact O-N 3.09Å; Q141-E145 PolarHBondContact NE2-OE1 2.99Å; Q141-E145 PolarHBondContact O-N 3.4Å |
| 142 | K | 91.8 | Very high | 81.4 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -32.3 | 178.2 | -160.6 | 168.8 | -171.1 | 170 | 0 | 112.6 | N138 L139 E145 F146 | N138-K142 PolarHBondContact O-N 2.83Å; L139-K142 PolarHBondContact O-N 2.85Å; K142-E145 PolarHBondContact O-N 2.88Å; K142-F146 HydrophobicContact CG-CD2 4.41Å; K142-F146 HydrophobicContact CG-CE2 3.98Å; K142-F146 WeakPolarHBondContact O-CD2 3.47Å; K142-F146 PolarHBondContact O-N 2.8Å; K142-F146 VanDerWaalsContact O-N 3.13Å |
| 143 | L | 90.1 | Very high | 83.3 | Confident | 81 Ų | 81 | 108.3 Ų | 108.3 | 42% | 0.424 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -42 | 172.4 | -166.1 | 76.7 | 0 | 0 | 0 | 111.8 | L139 N140 Q141 F146 R147 | L139-L143 WeakPolarHBondContact O-CB 3.4Å; L139-L143 PolarHBondContact O-N 3.01Å; N140-L143 WeakPolarHBondContact O-CB 3.28Å; N140-L143 PolarHBondContact O-N 3.25Å; Q141-L143 VanDerWaalsContact C-N 3.26Å; Q141-L143 PolarHBondContact O-N 3.4Å; L143-F146 PolarHBondContact O-N 3.34Å; L143-R147 WeakPolarHBondContact O-CG 3.43Å; L143-R147 PolarHBondContact O-N 2.93Å |
| 144 | E | 91.4 | Very high | 85.1 | Confident | 87 Ų | 87 | 108.2 Ų | 108.2 | 41% | 0.407 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.9 | -34.4 | 174 | -74.4 | -58.3 | 157.9 | 0 | 0 | 112.9 | N140 Q141 F146 R147 A148 | N140-E144 PolarHBondContact O-N 3.46Å; Q141-E144 PolarHBondContact O-N 2.96Å; Q141-E144 VanDerWaalsContact O-N 3.09Å; E144-F146 VanDerWaalsContact C-N 3.33Å; E144-F146 PolarHBondContact O-N 3.25Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-R147 WeakPolarHBondContact OE1-CD 3.49Å; E144-R147 IonicContact OE1-CZ 2.65Å; E144-R147 IonicContact OE1-NH1 3.45Å; E144-R147 PolarHBondContact OE1-NH1 3.4Å; E144-R147 VanDerWaalsContact OE2-CD 3.29Å; E144-R147 WeakPolarHBondContact OE2-CD 3.49Å; E144-A148 WeakPolarHBondContact O-CB 3.33Å; E144-A148 PolarHBondContact O-N 3.21Å |
| 145 | E | 91.8 | Very high | 87.3 | Confident | 89 Ų | 89 | 106.1 Ų | 106.1 | 42% | 0.416 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 171.3 | -71.7 | 173.9 | -161.1 | 0 | 0 | 112.1 | Q141 K142 A148 K149 | Q141-E145 PolarHBondContact NE2-OE1 2.99Å; Q141-E145 PolarHBondContact O-N 3.4Å; K142-E145 PolarHBondContact O-N 2.88Å; E145-A148 PolarHBondContact O-N 3.31Å; E145-K149 WeakPolarHBondContact O-CB 3.37Å; E145-K149 WeakPolarHBondContact O-CG 3.34Å; E145-K149 PolarHBondContact O-N 3.4Å |
| 146 | F | 93.9 | Very high | 88.8 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 54% | 0.544 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -38.2 | 173 | -73.6 | -58.7 | 0 | 0 | 0 | 112.5 | K142 L143 E144 K149 S150 | K142-F146 HydrophobicContact CG-CD2 4.41Å; K142-F146 HydrophobicContact CG-CE2 3.98Å; K142-F146 WeakPolarHBondContact O-CD2 3.47Å; K142-F146 PolarHBondContact O-N 2.8Å; K142-F146 VanDerWaalsContact O-N 3.13Å; L143-F146 PolarHBondContact O-N 3.34Å; E144-F146 VanDerWaalsContact C-N 3.33Å; E144-F146 PolarHBondContact O-N 3.25Å; F146-K149 PolarHBondContact O-N 3Å; F146-S150 PolarHBondContact O-N 3.07Å |
| 147 | R | 94.9 | Very high | 90.1 | Very high | 112 Ų | 112 | 102 Ų | 102 | 42% | 0.423 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 172.9 | -73.4 | 169.9 | 174.2 | 160.8 | 4.8 | 111.9 | L143 E144 S150 R151 | L143-R147 WeakPolarHBondContact O-CG 3.43Å; L143-R147 PolarHBondContact O-N 2.93Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-R147 WeakPolarHBondContact OE1-CD 3.49Å; E144-R147 IonicContact OE1-CZ 2.65Å; E144-R147 IonicContact OE1-NH1 3.45Å; E144-R147 PolarHBondContact OE1-NH1 3.4Å; E144-R147 VanDerWaalsContact OE2-CD 3.29Å; E144-R147 WeakPolarHBondContact OE2-CD 3.49Å; R147-S150 PolarHBondContact O-N 3.48Å; R147-R151 WeakPolarHBondContact O-CG 3.35Å; R147-R151 PolarHBondContact O-N 3.49Å; R147-R151 VanDerWaalsContact O-N 3.1Å |
| 148 | A | 94.1 | Very high | 91.4 | Very high | 58 Ų | 58 | 103.6 Ų | 103.6 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E144 E145 R151 E152 | E144-A148 WeakPolarHBondContact O-CB 3.33Å; E144-A148 PolarHBondContact O-N 3.21Å; E145-A148 PolarHBondContact O-N 3.31Å; A148-R151 PolarHBondContact O-N 3.35Å; A148-E152 PolarHBondContact O-N 2.84Å; A148-E152 VanDerWaalsContact O-N 3.11Å |
| 149 | K | 95.3 | Very high | 92.4 | Very high | 119 Ų | 119 | 103.3 Ų | 103.3 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 174.4 | -75.7 | 172.2 | 179.3 | 171 | 0 | 112.5 | E145 F146 R151 E152 W153 | E145-K149 WeakPolarHBondContact O-CB 3.37Å; E145-K149 WeakPolarHBondContact O-CG 3.34Å; E145-K149 PolarHBondContact O-N 3.4Å; F146-K149 PolarHBondContact O-N 3Å; K149-R151 PolarHBondContact O-N 3.12Å; K149-E152 PolarHBondContact O-N 3.4Å; K149-E152 VanDerWaalsContact O-N 3.15Å; K149-W153 PolarHBondContact O-N 3.01Å |
| 150 | S | 92.2 | Very high | 93 | Very high | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.6 | -51.1 | 174.5 | -164.8 | 0 | 0 | 0 | 0 | 110.9 | F146 R147 E152 W153 D154 | F146-S150 PolarHBondContact O-N 3.07Å; R147-S150 PolarHBondContact O-N 3.48Å; S150-E152 PolarHBondContact O-N 2.95Å; S150-E152 VanDerWaalsContact O-N 3.16Å; S150-W153 WeakPolarHBondContact O-CB 3.47Å; S150-W153 PolarHBondContact O-N 3.33Å; S150-D154 PolarHBondContact O-N 3.12Å |
| 151 | R | 96.1 | Very high | 93.9 | Very high | 159 Ų | 159 | 106.1 Ų | 106.1 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.6 | -24.6 | 178.1 | -66 | 178.3 | -156 | -152.1 | 11.1 | 113.9 | R147 A148 K149 D154 K155 | R147-R151 WeakPolarHBondContact O-CG 3.35Å; R147-R151 PolarHBondContact O-N 3.49Å; R147-R151 VanDerWaalsContact O-N 3.1Å; A148-R151 PolarHBondContact O-N 3.35Å; K149-R151 PolarHBondContact O-N 3.12Å; R151-D154 WeakPolarHBondContact CA-OD2 3.28Å; R151-K155 WeakPolarHBondContact O-CG 3.31Å; R151-K155 PolarHBondContact O-N 3.41Å |
| 152 | E | 94.5 | Very high | 94.2 | Very high | 86 Ų | 86 | 104.4 Ų | 104.4 | 40% | 0.402 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79 | -39.4 | 174.4 | -163.4 | 57.6 | -140.1 | 0 | 0 | 111.3 | A148 K149 S150 D154 K155 Q156 | A148-E152 PolarHBondContact O-N 2.84Å; A148-E152 VanDerWaalsContact O-N 3.11Å; K149-E152 PolarHBondContact O-N 3.4Å; K149-E152 VanDerWaalsContact O-N 3.15Å; S150-E152 PolarHBondContact O-N 2.95Å; S150-E152 VanDerWaalsContact O-N 3.16Å; E152-D154 VanDerWaalsContact C-N 3.35Å; E152-K155 WeakPolarHBondContact O-CB 3.32Å; E152-K155 PolarHBondContact O-N 3.41Å; E152-K155 IonicContact OE2-NZ 3.25Å; E152-K155 PolarHBondContact OE2-NZ 3.21Å; E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 3.25Å |
| 153 | W | 91.6 | Very high | 94.4 | Very high | 187 Ų | 187 | 104.4 Ų | 104.4 | 71% | 0.708 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.5 | -41.7 | 170.3 | -70.3 | 118.7 | 0 | 0 | 0 | 112.2 | K149 S150 K155 Q156 E157 | K149-W153 PolarHBondContact O-N 3.01Å; S150-W153 WeakPolarHBondContact O-CB 3.47Å; S150-W153 PolarHBondContact O-N 3.33Å; W153-K155 VanDerWaalsContact C-N 3.27Å; W153-K155 PolarHBondContact O-N 3.23Å; W153-Q156 HydrophobicContact CE3-CB 4.5Å; W153-Q156 PolarHBondContact O-N 3.48Å; W153-Q156 VanDerWaalsContact O-N 3.07Å; W153-E157 PolarHBondContact O-N 2.93Å |
| 154 | D | 95.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 106.4 Ų | 106.4 | 40% | 0.401 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58 | -39.2 | 175.3 | -54.2 | -24 | 0 | 0 | 0 | 111.3 | S150 R151 E152 I158 | S150-D154 PolarHBondContact O-N 3.12Å; R151-D154 WeakPolarHBondContact CA-OD2 3.28Å; E152-D154 VanDerWaalsContact C-N 3.35Å; D154-I158 WeakPolarHBondContact O-CD1 3.5Å; D154-I158 VanDerWaalsContact O-CG1 3.28Å; D154-I158 WeakPolarHBondContact O-CG1 3.45Å; D154-I158 PolarHBondContact O-N 2.94Å; D154-I158 VanDerWaalsContact O-N 3.1Å |
| 155 | K | 97.2 | Very high | 94.9 | Very high | 109 Ų | 109 | 107.3 Ų | 107.3 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 174 | -69.3 | 173.3 | -149.9 | 163 | 0 | 112.3 | R151 E152 W153 E157 I158 L159 | R151-K155 WeakPolarHBondContact O-CG 3.31Å; R151-K155 PolarHBondContact O-N 3.41Å; E152-K155 WeakPolarHBondContact O-CB 3.32Å; E152-K155 PolarHBondContact O-N 3.41Å; E152-K155 IonicContact OE2-NZ 3.25Å; E152-K155 PolarHBondContact OE2-NZ 3.21Å; W153-K155 VanDerWaalsContact C-N 3.27Å; W153-K155 PolarHBondContact O-N 3.23Å; K155-E157 VanDerWaalsContact C-N 3.34Å; K155-I158 PolarHBondContact O-N 2.91Å; K155-L159 WeakPolarHBondContact O-CG 3.41Å; K155-L159 PolarHBondContact O-N 3.21Å |
| 156 | Q | 94.4 | Very high | 95 | Very high | 61 Ų | 61 | 106 Ų | 106 | 29% | 0.285 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.5 | -66.4 | -60.5 | -43 | 0 | 0 | 110.8 | E152 W153 L159 Y160 | E152-Q156 WeakPolarHBondContact O-CG 3.41Å; E152-Q156 PolarHBondContact O-N 3.25Å; W153-Q156 HydrophobicContact CE3-CB 4.5Å; W153-Q156 PolarHBondContact O-N 3.48Å; W153-Q156 VanDerWaalsContact O-N 3.07Å; Q156-L159 PolarHBondContact O-N 3.28Å; Q156-Y160 HydrophobicContact CB-CD2 4.48Å; Q156-Y160 HydrophobicContact CB-CE2 4.3Å; Q156-Y160 WeakPolarHBondContact O-CD2 3.44Å; Q156-Y160 PolarHBondContact O-N 3.38Å |
| 157 | E | 93.9 | Very high | 95.1 | Very high | 126 Ų | 126 | 105.1 Ų | 105.1 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.4 | -50.2 | 173.4 | -176.7 | 174.5 | -167.7 | 0 | 0 | 111.3 | W153 K155 L159 Y160 Q161 | W153-E157 PolarHBondContact O-N 2.93Å; K155-E157 VanDerWaalsContact C-N 3.34Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.42Å; E157-Y160 PolarHBondContact O-N 2.9Å; E157-Q161 VanDerWaalsContact O-CB 3.29Å; E157-Q161 WeakPolarHBondContact O-CB 3.32Å; E157-Q161 PolarHBondContact O-N 3.46Å |
| 158 | I | 96.8 | Very high | 95.2 | Very high | 105 Ų | 105 | 102.9 Ų | 102.9 | 54% | 0.538 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 177.2 | -68.4 | 163.8 | 0 | 0 | 0 | 111.9 | D154 K155 T162 | D154-I158 WeakPolarHBondContact O-CD1 3.5Å; D154-I158 VanDerWaalsContact O-CG1 3.28Å; D154-I158 WeakPolarHBondContact O-CG1 3.45Å; D154-I158 PolarHBondContact O-N 2.94Å; D154-I158 VanDerWaalsContact O-N 3.1Å; K155-I158 PolarHBondContact O-N 2.91Å; I158-T162 WeakPolarHBondContact O-CB 3.34Å; I158-T162 PolarHBondContact O-N 3.06Å; I158-T162 PolarHBondContact O-OG1 3.31Å |
| 159 | L | 96.2 | Very high | 95.2 | Very high | 85 Ų | 85 | 102.8 Ų | 102.8 | 45% | 0.445 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -49.8 | 175.6 | -73.7 | 170.4 | 0 | 0 | 0 | 111.7 | K155 Q156 E157 Q161 T162 H163 | K155-L159 WeakPolarHBondContact O-CG 3.41Å; K155-L159 PolarHBondContact O-N 3.21Å; Q156-L159 PolarHBondContact O-N 3.28Å; E157-L159 VanDerWaalsContact C-N 3.32Å; E157-L159 PolarHBondContact O-N 3.42Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-Q161 PolarHBondContact O-N 3.09Å; L159-T162 PolarHBondContact O-N 2.84Å; L159-H163 PolarHBondContact O-CD2 2.86Å; L159-H163 PolarHBondContact O-N 3.37Å |
| 160 | Y | 94.7 | Very high | 95.2 | Very high | 158 Ų | 158 | 102.7 Ų | 102.7 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 177.9 | -72.5 | -57.8 | 0 | 0 | 0 | 112.3 | Q156 E157 H163 L164 | Q156-Y160 HydrophobicContact CB-CD2 4.48Å; Q156-Y160 HydrophobicContact CB-CE2 4.3Å; Q156-Y160 WeakPolarHBondContact O-CD2 3.44Å; Q156-Y160 PolarHBondContact O-N 3.38Å; E157-Y160 PolarHBondContact O-N 2.9Å; Y160-H163 PolarHBondContact O-N 2.88Å; Y160-L164 WeakPolarHBondContact O-CB 3.28Å; Y160-L164 PolarHBondContact O-N 3.36Å |
| 161 | Q | 96 | Very high | 95.4 | Very high | 115 Ų | 115 | 106.2 Ų | 106.2 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 176.9 | -163.3 | 166.6 | 38.6 | 0 | 0 | 111.6 | E157 L159 L164 I165 | E157-Q161 VanDerWaalsContact O-CB 3.29Å; E157-Q161 WeakPolarHBondContact O-CB 3.32Å; E157-Q161 PolarHBondContact O-N 3.46Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-Q161 PolarHBondContact O-N 3.09Å; Q161-L164 WeakPolarHBondContact O-CB 3.43Å; Q161-L164 PolarHBondContact O-N 3.31Å; Q161-I165 WeakPolarHBondContact O-CD1 3.48Å; Q161-I165 VanDerWaalsContact O-CG1 3.27Å; Q161-I165 WeakPolarHBondContact O-CG1 3.3Å; Q161-I165 PolarHBondContact O-N 3.49Å |
| 162 | T | 96 | Very high | 95.4 | Very high | 82 Ų | 82 | 104.6 Ų | 104.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 172.1 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | I158 L159 I165 S166 | I158-T162 WeakPolarHBondContact O-CB 3.34Å; I158-T162 PolarHBondContact O-N 3.06Å; I158-T162 PolarHBondContact O-OG1 3.31Å; L159-T162 PolarHBondContact O-N 2.84Å; T162-I165 PolarHBondContact O-N 3.01Å; T162-S166 PolarHBondContact O-N 3.07Å |
| 163 | H | 96.4 | Very high | 95.5 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 173.4 | -77 | -59.9 | 0 | 0 | 0 | 111.9 | L159 Y160 I165 S166 L167 | L159-H163 PolarHBondContact O-CD2 2.86Å; L159-H163 PolarHBondContact O-N 3.37Å; Y160-H163 PolarHBondContact O-N 2.88Å; H163-I165 PolarHBondContact O-N 2.85Å; H163-S166 PolarHBondContact O-N 3.01Å; H163-S166 PolarHBondContact O-OG 3.35Å; H163-L167 WeakPolarHBondContact O-CG 3.05Å; H163-L167 PolarHBondContact O-N 3.32Å |
| 164 | L | 96.1 | Very high | 95.6 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 64% | 0.644 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.1 | -45.1 | 177.3 | -157 | 81.7 | 0 | 0 | 0 | 111.9 | Y160 Q161 S166 L167 D168 | Y160-L164 WeakPolarHBondContact O-CB 3.28Å; Y160-L164 PolarHBondContact O-N 3.36Å; Q161-L164 WeakPolarHBondContact O-CB 3.43Å; Q161-L164 PolarHBondContact O-N 3.31Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 3.46Å; L164-L167 PolarHBondContact O-N 3.28Å; L164-D168 PolarHBondContact O-N 3.07Å |
| 165 | I | 96.6 | Very high | 95.4 | Very high | 107 Ų | 107 | 100.4 Ų | 100.4 | 55% | 0.549 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.2 | -67.5 | 162.1 | 0 | 0 | 0 | 111.1 | Q161 T162 H163 L167 D168 A169 | Q161-I165 WeakPolarHBondContact O-CD1 3.48Å; Q161-I165 VanDerWaalsContact O-CG1 3.27Å; Q161-I165 WeakPolarHBondContact O-CG1 3.3Å; Q161-I165 PolarHBondContact O-N 3.49Å; T162-I165 PolarHBondContact O-N 3.01Å; H163-I165 PolarHBondContact O-N 2.85Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 2.88Å; I165-D168 PolarHBondContact O-N 3.02Å; I165-A169 WeakPolarHBondContact O-CB 3.48Å; I165-A169 PolarHBondContact O-N 3.03Å |
| 166 | S | 93.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 100.4 Ų | 100.4 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 177.9 | 74.5 | 0 | 0 | 0 | 0 | 113 | T162 H163 L164 Q170 | T162-S166 PolarHBondContact O-N 3.07Å; H163-S166 PolarHBondContact O-N 3.01Å; H163-S166 PolarHBondContact O-OG 3.35Å; L164-S166 VanDerWaalsContact C-N 3.34Å; L164-S166 PolarHBondContact O-N 3.46Å; S166-Q170 PolarHBondContact O-N 2.72Å |
| 167 | L | 95.9 | Very high | 95.4 | Very high | 104 Ų | 104 | 102.6 Ų | 102.6 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.8 | -43 | 176.7 | -73.8 | 166.5 | 0 | 0 | 0 | 112 | H163 L164 I165 A169 Q170 Q171 | H163-L167 WeakPolarHBondContact O-CG 3.05Å; H163-L167 PolarHBondContact O-N 3.32Å; L164-L167 PolarHBondContact O-N 3.28Å; I165-L167 VanDerWaalsContact C-N 3.35Å; I165-L167 PolarHBondContact O-N 2.88Å; L167-A169 VanDerWaalsContact C-N 3.35Å; L167-A169 PolarHBondContact O-N 3.46Å; L167-Q170 PolarHBondContact O-N 3.04Å; L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.33Å |
| 168 | D | 96.2 | Very high | 95.1 | Very high | 66 Ų | 66 | 100.6 Ų | 100.6 | 35% | 0.353 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 173.5 | 167.9 | 73.3 | 0 | 0 | 0 | 111.8 | L164 I165 Q170 Q171 K172 | L164-D168 PolarHBondContact O-N 3.07Å; I165-D168 PolarHBondContact O-N 3.02Å; D168-Q170 PolarHBondContact O-N 2.91Å; D168-Q171 PolarHBondContact O-N 3.31Å; D168-K172 VanDerWaalsContact CG-NZ 3.3Å; D168-K172 WeakPolarHBondContact O-CB 3.37Å; D168-K172 WeakPolarHBondContact O-CG 3.43Å; D168-K172 PolarHBondContact O-N 2.95Å; D168-K172 WeakPolarHBondContact OD1-CE 3.49Å; D168-K172 IonicContact OD1-NZ 3.5Å; D168-K172 PolarHBondContact OD1-NZ 2.86Å; D168-K172 VanDerWaalsContact OD1-NZ 3.15Å; D168-K172 WeakPolarHBondContact OD2-CE 3.3Å; D168-K172 IonicContact OD2-NZ 3.3Å; D168-K172 PolarHBondContact OD2-NZ 3.46Å |
| 169 | A | 94.6 | Very high | 94.9 | Very high | 55 Ų | 55 | 99.1 Ų | 99.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | I165 L167 K172 L173 | I165-A169 WeakPolarHBondContact O-CB 3.48Å; I165-A169 PolarHBondContact O-N 3.03Å; L167-A169 VanDerWaalsContact C-N 3.35Å; L167-A169 PolarHBondContact O-N 3.46Å; A169-K172 PolarHBondContact O-N 3.4Å; A169-L173 PolarHBondContact O-N 3.3Å |
| 170 | Q | 95.4 | Very high | 94.9 | Very high | 117 Ų | 117 | 100.3 Ų | 100.3 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 175.1 | -174.6 | 178.6 | -10.1 | 0 | 0 | 112 | S166 L167 D168 L173 L174 | S166-Q170 PolarHBondContact O-N 2.72Å; L167-Q170 PolarHBondContact O-N 3.04Å; D168-Q170 PolarHBondContact O-N 2.91Å; Q170-L173 PolarHBondContact O-N 2.79Å; Q170-L174 HydrophobicContact CG-CD1 4.26Å; Q170-L174 WeakPolarHBondContact O-CG 3.46Å; Q170-L174 PolarHBondContact O-N 2.86Å |
| 171 | Q | 95.8 | Very high | 94.8 | Very high | 137 Ų | 137 | 99.3 Ų | 99.3 | 64% | 0.64 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 176.2 | -175.9 | 179.5 | 0.3 | 0 | 0 | 111.6 | L167 D168 L174 S175 | L167-Q171 WeakPolarHBondContact O-CB 3.43Å; L167-Q171 PolarHBondContact O-N 3.33Å; D168-Q171 PolarHBondContact O-N 3.31Å; Q171-L174 PolarHBondContact O-N 3.4Å; Q171-S175 WeakPolarHBondContact O-CB 3.46Å; Q171-S175 PolarHBondContact O-N 2.84Å |
| 172 | K | 96 | Very high | 94.6 | Very high | 125 Ų | 125 | 99.1 Ų | 99.1 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 175.5 | -76.7 | 167.4 | 178.4 | 162.6 | 0 | 112 | D168 A169 L174 S175 E176 | D168-K172 VanDerWaalsContact CG-NZ 3.3Å; D168-K172 WeakPolarHBondContact O-CB 3.37Å; D168-K172 WeakPolarHBondContact O-CG 3.43Å; D168-K172 PolarHBondContact O-N 2.95Å; D168-K172 WeakPolarHBondContact OD1-CE 3.49Å; D168-K172 IonicContact OD1-NZ 3.5Å; D168-K172 PolarHBondContact OD1-NZ 2.86Å; D168-K172 VanDerWaalsContact OD1-NZ 3.15Å; D168-K172 WeakPolarHBondContact OD2-CE 3.3Å; D168-K172 IonicContact OD2-NZ 3.3Å; D168-K172 PolarHBondContact OD2-NZ 3.46Å; A169-K172 PolarHBondContact O-N 3.4Å; K172-L174 VanDerWaalsContact C-N 3.34Å; K172-L174 PolarHBondContact O-N 3.03Å; K172-S175 WeakPolarHBondContact O-CB 3.45Å; K172-S175 PolarHBondContact O-N 3.49Å; K172-E176 PolarHBondContact O-N 2.97Å |
| 173 | L | 96.5 | Very high | 94.5 | Very high | 98 Ų | 98 | 102.1 Ų | 102.1 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 176.8 | -174.7 | 68.3 | 0 | 0 | 0 | 112.5 | A169 Q170 K177 | A169-L173 PolarHBondContact O-N 3.3Å; Q170-L173 PolarHBondContact O-N 2.79Å; L173-K177 PolarHBondContact O-N 2.69Å; L173-K177 VanDerWaalsContact O-N 3.11Å |
| 174 | L | 93.6 | Very high | 94.2 | Very high | 98 Ų | 98 | 101.3 Ų | 101.3 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 174.8 | -73.2 | 169.3 | 0 | 0 | 0 | 111.7 | Q170 Q171 K172 E176 K177 C178 | Q170-L174 HydrophobicContact CG-CD1 4.26Å; Q170-L174 WeakPolarHBondContact O-CG 3.46Å; Q170-L174 PolarHBondContact O-N 2.86Å; Q171-L174 PolarHBondContact O-N 3.4Å; K172-L174 VanDerWaalsContact C-N 3.34Å; K172-L174 PolarHBondContact O-N 3.03Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.48Å; L174-K177 PolarHBondContact O-N 2.87Å; L174-C178 PolarHBondContact O-N 2.95Å; L174-C178 PolarHBondContact O-SG 3.14Å; L174-C178 VanDerWaalsContact O-SG 3.4Å |
| 175 | S | 91.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 98.3 Ų | 98.3 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | Q171 K172 K177 C178 N179 | Q171-S175 WeakPolarHBondContact O-CB 3.46Å; Q171-S175 PolarHBondContact O-N 2.84Å; K172-S175 WeakPolarHBondContact O-CB 3.45Å; K172-S175 PolarHBondContact O-N 3.49Å; S175-K177 PolarHBondContact O-N 2.81Å; S175-C178 WeakPolarHBondContact O-CB 3.26Å; S175-C178 PolarHBondContact O-N 3.11Å; S175-N179 VanDerWaalsContact O-CG 3.3Å; S175-N179 PolarHBondContact O-N 2.92Å; S175-N179 PolarHBondContact O-ND2 2.86Å; S175-N179 VanDerWaalsContact O-ND2 3.08Å |
| 176 | E | 96 | Very high | 93.1 | Very high | 109 Ų | 109 | 98.1 Ų | 98.1 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 176.7 | -169 | 175.2 | -174.7 | 0 | 0 | 112.4 | K172 L174 C178 N179 Q180 | K172-E176 PolarHBondContact O-N 2.97Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-E176 PolarHBondContact O-N 3.48Å; E176-C178 PolarHBondContact O-N 3.49Å; E176-N179 PolarHBondContact O-N 2.82Å; E176-Q180 WeakPolarHBondContact O-CG 3.47Å; E176-Q180 PolarHBondContact O-N 3.18Å |
| 177 | K | 95.2 | Very high | 92.8 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 173.5 | -75.4 | -173.5 | 176.4 | -174.4 | 0 | 112.7 | L173 L174 S175 N179 Q180 F181 | L173-K177 PolarHBondContact O-N 2.69Å; L173-K177 VanDerWaalsContact O-N 3.11Å; L174-K177 PolarHBondContact O-N 2.87Å; S175-K177 PolarHBondContact O-N 2.81Å; K177-N179 VanDerWaalsContact C-N 3.33Å; K177-N179 PolarHBondContact O-N 3.04Å; K177-Q180 PolarHBondContact O-N 3.11Å; K177-F181 HydrophobicContact CB-CE2 4.48Å; K177-F181 WeakPolarHBondContact O-CD2 3.37Å; K177-F181 PolarHBondContact O-N 3.47Å |
| 178 | C | 88.1 | Confident | 92.1 | Very high | 84 Ų | 84 | 99.7 Ų | 99.7 | 57% | 0.568 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.3 | -43.8 | 174.8 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | L174 S175 E176 Q180 F181 Q182 | L174-C178 PolarHBondContact O-N 2.95Å; L174-C178 PolarHBondContact O-SG 3.14Å; L174-C178 VanDerWaalsContact O-SG 3.4Å; S175-C178 WeakPolarHBondContact O-CB 3.26Å; S175-C178 PolarHBondContact O-N 3.11Å; E176-C178 PolarHBondContact O-N 3.49Å; C178-Q180 VanDerWaalsContact C-N 3.33Å; C178-Q180 PolarHBondContact O-N 3.38Å; C178-F181 PolarHBondContact O-N 2.99Å; C178-Q182 PolarHBondContact O-N 3.02Å |
| 179 | N | 93.8 | Very high | 91.3 | Very high | 75 Ų | 75 | 102.6 Ų | 102.6 | 40% | 0.401 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 176.3 | -68.2 | -38.2 | 0 | 0 | 0 | 112.6 | S175 E176 K177 K183 | S175-N179 VanDerWaalsContact O-CG 3.3Å; S175-N179 PolarHBondContact O-N 2.92Å; S175-N179 PolarHBondContact O-ND2 2.86Å; S175-N179 VanDerWaalsContact O-ND2 3.08Å; E176-N179 PolarHBondContact O-N 2.82Å; K177-N179 VanDerWaalsContact C-N 3.33Å; K177-N179 PolarHBondContact O-N 3.04Å; N179-K183 WeakPolarHBondContact O-CG 3.43Å; N179-K183 PolarHBondContact O-N 3.36Å; N179-K183 VanDerWaalsContact O-N 3.09Å |
| 180 | Q | 95.1 | Very high | 90.6 | Very high | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 174.4 | -71.1 | 172.7 | 11 | 0 | 0 | 111.6 | E176 K177 C178 Q182 K183 Q184 | E176-Q180 WeakPolarHBondContact O-CG 3.47Å; E176-Q180 PolarHBondContact O-N 3.18Å; K177-Q180 PolarHBondContact O-N 3.11Å; C178-Q180 VanDerWaalsContact C-N 3.33Å; C178-Q180 PolarHBondContact O-N 3.38Å; Q180-Q182 VanDerWaalsContact C-N 3.34Å; Q180-Q182 PolarHBondContact O-N 3Å; Q180-K183 PolarHBondContact O-N 2.98Å; Q180-Q184 PolarHBondContact O-N 3.34Å |
| 181 | F | 92.9 | Very high | 89.8 | Confident | 136 Ų | 136 | 105.1 Ų | 105.1 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -38.6 | 175.9 | -68.9 | -52.7 | 0 | 0 | 0 | 112.6 | K177 C178 Q184 A185 | K177-F181 HydrophobicContact CB-CE2 4.48Å; K177-F181 WeakPolarHBondContact O-CD2 3.37Å; K177-F181 PolarHBondContact O-N 3.47Å; C178-F181 PolarHBondContact O-N 2.99Å; F181-Q184 PolarHBondContact O-N 3.39Å; F181-A185 PolarHBondContact O-N 3.45Å |
| 182 | Q | 92.3 | Very high | 88.3 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176 | -173.2 | 176.9 | 8.6 | 0 | 0 | 112 | C178 Q180 Q184 A185 Q186 | C178-Q182 PolarHBondContact O-N 3.02Å; Q180-Q182 VanDerWaalsContact C-N 3.34Å; Q180-Q182 PolarHBondContact O-N 3Å; Q182-Q184 VanDerWaalsContact C-N 3.33Å; Q182-Q184 PolarHBondContact O-N 3.38Å; Q182-A185 PolarHBondContact O-N 2.98Å; Q182-Q186 WeakPolarHBondContact O-CG 3.43Å; Q182-Q186 PolarHBondContact O-N 3.29Å; Q182-Q186 VanDerWaalsContact O-N 3.07Å |
| 183 | K | 92.5 | Very high | 86.6 | Confident | 146 Ų | 146 | 104.3 Ų | 104.3 | 64% | 0.635 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.2 | -38.2 | 175.1 | -73.1 | 176.5 | 179.9 | -178.9 | 0 | 112.2 | N179 Q180 Q186 S187 | N179-K183 WeakPolarHBondContact O-CG 3.43Å; N179-K183 PolarHBondContact O-N 3.36Å; N179-K183 VanDerWaalsContact O-N 3.09Å; Q180-K183 PolarHBondContact O-N 2.98Å; K183-Q186 PolarHBondContact O-N 3.41Å; K183-S187 PolarHBondContact O-N 2.88Å |
| 184 | Q | 91.4 | Very high | 84.7 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 44% | 0.439 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 176.2 | -170.8 | -179.2 | 6.8 | 0 | 0 | 111.6 | Q180 F181 Q182 Q186 S187 Y188 | Q180-Q184 PolarHBondContact O-N 3.34Å; F181-Q184 PolarHBondContact O-N 3.39Å; Q182-Q184 VanDerWaalsContact C-N 3.33Å; Q182-Q184 PolarHBondContact O-N 3.38Å; Q184-Q186 PolarHBondContact O-N 2.96Å; Q184-S187 WeakPolarHBondContact O-CB 3.45Å; Q184-S187 PolarHBondContact O-N 3.49Å; Q184-Y188 HydrophobicContact CG-CD2 4.22Å; Q184-Y188 HydrophobicContact CG-CE2 3.69Å; Q184-Y188 VanDerWaalsContact O-CD2 3.27Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.3Å; Q184-Y188 PolarHBondContact O-N 3.03Å |
| 185 | A | 81.9 | Confident | 82.8 | Confident | 60 Ų | 60 | 106.5 Ų | 106.5 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F181 Q182 S187 Y188 Q189 | F181-A185 PolarHBondContact O-N 3.45Å; Q182-A185 PolarHBondContact O-N 2.98Å; A185-S187 VanDerWaalsContact C-N 3.33Å; A185-S187 PolarHBondContact O-N 2.85Å; A185-Y188 PolarHBondContact O-N 2.96Å; A185-Q189 PolarHBondContact O-N 3.49Å; A185-Q189 VanDerWaalsContact O-N 3.16Å |
| 186 | Q | 87.8 | Confident | 80.9 | Confident | 103 Ų | 103 | 111 Ų | 111 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.2 | -39.2 | 175.1 | -71.9 | 171.3 | -17.5 | 0 | 0 | 112.3 | Q182 K183 Q184 Y188 Q189 T190 | Q182-Q186 WeakPolarHBondContact O-CG 3.43Å; Q182-Q186 PolarHBondContact O-N 3.29Å; Q182-Q186 VanDerWaalsContact O-N 3.07Å; K183-Q186 PolarHBondContact O-N 3.41Å; Q184-Q186 PolarHBondContact O-N 2.96Å; Q186-Y188 PolarHBondContact O-N 3.35Å; Q186-Q189 PolarHBondContact O-N 2.91Å; Q186-T190 PolarHBondContact O-N 3.49Å; Q186-T190 VanDerWaalsContact O-N 3.11Å; Q186-T190 PolarHBondContact O-OG1 3.49Å |
| 187 | S | 87.1 | Confident | 78.3 | Confident | 65 Ų | 65 | 114.2 Ų | 114.2 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.2 | -43.1 | 177.4 | -171.5 | 0 | 0 | 0 | 0 | 112.6 | K183 Q184 A185 Q189 T190 Q191 | K183-S187 PolarHBondContact O-N 2.88Å; Q184-S187 WeakPolarHBondContact O-CB 3.45Å; Q184-S187 PolarHBondContact O-N 3.49Å; A185-S187 VanDerWaalsContact C-N 3.33Å; A185-S187 PolarHBondContact O-N 2.85Å; S187-Q189 VanDerWaalsContact C-N 3.34Å; S187-Q189 PolarHBondContact O-N 3.43Å; S187-T190 PolarHBondContact O-N 3.23Å; S187-Q191 PolarHBondContact O-N 3.07Å |
| 188 | Y | 80.7 | Confident | 75.6 | Confident | 134 Ų | 134 | 115 Ų | 115 | 53% | 0.525 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.3 | -37.9 | 175.2 | -72.1 | -59 | 0 | 0 | 0 | 112.5 | Q184 A185 Q186 T190 Q191 L192 | Q184-Y188 HydrophobicContact CG-CD2 4.22Å; Q184-Y188 HydrophobicContact CG-CE2 3.69Å; Q184-Y188 VanDerWaalsContact O-CD2 3.27Å; Q184-Y188 WeakPolarHBondContact O-CD2 3.3Å; Q184-Y188 PolarHBondContact O-N 3.03Å; A185-Y188 PolarHBondContact O-N 2.96Å; Q186-Y188 PolarHBondContact O-N 3.35Å; Y188-T190 VanDerWaalsContact C-N 3.35Å; Y188-T190 PolarHBondContact O-N 2.98Å; Y188-Q191 PolarHBondContact O-N 3.17Å; Y188-L192 PolarHBondContact O-N 3.37Å |
| 189 | Q | 80.2 | Confident | 73.5 | Confident | 127 Ų | 127 | 119.1 Ų | 119.1 | 59% | 0.593 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -40.4 | 177.2 | -167.7 | 170 | 4.1 | 0 | 0 | 111.9 | A185 Q186 S187 L192 N193 | A185-Q189 PolarHBondContact O-N 3.49Å; A185-Q189 VanDerWaalsContact O-N 3.16Å; Q186-Q189 PolarHBondContact O-N 2.91Å; S187-Q189 VanDerWaalsContact C-N 3.34Å; S187-Q189 PolarHBondContact O-N 3.43Å; Q189-L192 PolarHBondContact O-N 2.99Å; Q189-N193 PolarHBondContact O-N 3.44Å |
| 190 | T | 78.6 | Confident | 70.8 | Confident | 99 Ų | 99 | 124.4 Ų | 124.4 | 61% | 0.607 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.8 | -37.8 | 175.3 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | Q186 S187 Y188 L192 N193 G194 | Q186-T190 PolarHBondContact O-N 3.49Å; Q186-T190 VanDerWaalsContact O-N 3.11Å; Q186-T190 PolarHBondContact O-OG1 3.49Å; S187-T190 PolarHBondContact O-N 3.23Å; Y188-T190 VanDerWaalsContact C-N 3.35Å; Y188-T190 PolarHBondContact O-N 2.98Å; T190-L192 VanDerWaalsContact C-N 3.33Å; T190-L192 PolarHBondContact O-N 3.46Å; T190-N193 PolarHBondContact O-N 3.4Å; T190-G194 PolarHBondContact O-N 3.28Å; T190-G194 VanDerWaalsContact O-N 3.12Å |
| 191 | Q | 78.8 | Confident | 67.7 | Low | 126 Ų | 126 | 127 Ų | 127 | 59% | 0.589 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66 | -32.7 | 177.1 | -71.4 | -177.7 | 28 | 0 | 0 | 113.3 | S187 Y188 | S187-Q191 PolarHBondContact O-N 3.07Å; Y188-Q191 PolarHBondContact O-N 3.17Å |
| 192 | L | 63.9 | Low | 64.8 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.9 | -42.6 | 174.8 | -72.6 | 167.2 | 0 | 0 | 0 | 111.4 | Y188 Q189 T190 G194 K195 | Y188-L192 PolarHBondContact O-N 3.37Å; Q189-L192 PolarHBondContact O-N 2.99Å; T190-L192 VanDerWaalsContact C-N 3.33Å; T190-L192 PolarHBondContact O-N 3.46Å; L192-G194 PolarHBondContact O-N 3.17Å; L192-K195 PolarHBondContact O-N 2.95Å |
| 193 | N | 61.3 | Low | 62.1 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 60% | 0.599 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.5 | -36.8 | 179.7 | -68.6 | -11 | 0 | 0 | 0 | 112.5 | Q189 T190 K195 K196 | Q189-N193 PolarHBondContact O-N 3.44Å; T190-N193 PolarHBondContact O-N 3.4Å; N193-K195 PolarHBondContact O-N 3.45Å; N193-K195 VanDerWaalsContact O-N 3.16Å; N193-K196 PolarHBondContact O-N 2.92Å |
| 194 | G | 55.3 | Low | 59.3 | Low | 58 Ų | 58 | 124.3 Ų | 124.3 | 60% | 0.598 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -16 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T190 L192 | T190-G194 PolarHBondContact O-N 3.28Å; T190-G194 VanDerWaalsContact O-N 3.12Å; L192-G194 PolarHBondContact O-N 3.17Å |
| 195 | K | 54.4 | Low | 56.2 | Low | 185 Ų | 185 | 128 Ų | 128 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -7.9 | 177.2 | -79.1 | -175.3 | 174.3 | -179.8 | 0 | 114.5 | L192 N193 Q197 | L192-K195 PolarHBondContact O-N 2.95Å; N193-K195 PolarHBondContact O-N 3.45Å; N193-K195 VanDerWaalsContact O-N 3.16Å; K195-Q197 VanDerWaalsContact C-N 3.34Å; K195-Q197 PolarHBondContact O-N 3.36Å |
| 196 | K | 50.5 | Low | 54 | Low | 157 Ų | 157 | 132.5 Ų | 132.5 | 68% | 0.683 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -88.8 | 7.9 | -171.1 | -140.8 | -177.1 | 179.1 | -168.8 | 0 | 114.8 | N193 H428 | N193-K196 PolarHBondContact O-N 2.92Å; K196-H428 PolarHBondContact NZ-NE2 3.06Å |
| 197 | Q | 42 | Very low | 51.5 | Low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -125.9 | 27.2 | -162.3 | -148.2 | 167.9 | 22.1 | 0 | 0 | 114.1 | K195 | K195-Q197 VanDerWaalsContact C-N 3.34Å; K195-Q197 PolarHBondContact O-N 3.36Å |
| 198 | C | 39.8 | Very low | 49.3 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 85% | 0.845 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -135.1 | 23.3 | -170 | -130.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 199 | L | 44 | Very low | 46.9 | Very low | 170 Ų | 170 | 143.1 Ų | 143.1 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | -147.7 | 35.7 | -166 | -120.4 | 163.4 | 0 | 0 | 0 | 114.4 | ||||
| 200 | E | 35.7 | Very low | 44.6 | Very low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -133.6 | 108.8 | 163.3 | -76 | -170.8 | 143.6 | 0 | 0 | 108.4 | ||||
| 201 | D | 29.7 | Very low | 42.2 | Very low | 165 Ų | 165 | 145 Ų | 145 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | 177.1 | 94.9 | 155.7 | -100.5 | -23.2 | 0 | 0 | 0 | 109.5 | ||||
| 202 | S | 33.2 | Very low | 39.9 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | 177.2 | 103.5 | 153.6 | -80 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 203 | S | 34.6 | Very low | 39.2 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -83.7 | 160.6 | 169.7 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 204 | S | 33.9 | Very low | 37.9 | Very low | 98 Ų | 98 | 148.6 Ų | 148.6 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | 164.9 | 130.6 | 115.7 | -81 | 0 | 0 | 0 | 0 | 116 | |||||
| 205 | E | 26.5 | Very low | 37.9 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 60.4 | 101.4 | 136.2 | -58.4 | -177.6 | 136.1 | 0 | 0 | 124.1 | ||||
| 206 | I | 36.3 | Very low | 37.5 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | 31.8 | 125.3 | 111.6 | -54.4 | 173.5 | 0 | 0 | 0 | 117.1 | |||||
| 207 | P | 35.7 | Very low | 37.3 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | -152.8 | 173.4 | 72.5 | 37.2 | -14.4 | 0 | 0 | 0 | 119.9 | |||||
| 208 | R | 41.2 | Very low | 37.7 | Very low | 236 Ų | 236 | 144.3 Ų | 144.3 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -88.7 | 159.9 | -171.8 | -49.8 | 172.5 | 177.8 | -152.8 | -4.7 | 114.4 | ||||
| 209 | L | 28.9 | Very low | 38.5 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -167.2 | 107.2 | 142.9 | -108.7 | 161.3 | 0 | 0 | 0 | 115.9 | ||||
| 210 | I | 32.3 | Very low | 39.1 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 13.8 | 126.4 | 144.7 | -53.5 | 170.1 | 0 | 0 | 0 | 120.5 | ||||
| 211 | C | 28.3 | Very low | 40.4 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | -172 | 142.7 | 118.2 | -106.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 212 | D | 29.6 | Very low | 42.5 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 152.1 | -175.3 | -63.6 | -62.8 | 0 | 0 | 0 | 114.5 | ||
| 213 | P | 49.5 | Very low | 44.5 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 159 | 171.9 | 38.6 | -32.5 | 0 | 0 | 0 | 113.9 | ||
| 214 | D | 34.6 | Very low | 46.7 | Very low | 166 Ų | 166 | 136 Ų | 136 | 89% | 0.888 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 124.3 | 175.4 | -158.1 | 5.8 | 0 | 0 | 0 | 110.4 | ||
| 215 | P | 54.5 | Low | 49.1 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | trans | -107.4 | 112.9 | -163.6 | 36.3 | -29.4 | 0 | 0 | 0 | 113.9 | ||||
| 216 | N | 46.3 | Very low | 52 | Low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -156.3 | 15.9 | 168.5 | -134.5 | -1.2 | 0 | 0 | 0 | 119 | ||
| 217 | C | 46.9 | Very low | 54.3 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -124.5 | -28.7 | 179.1 | -150 | 0 | 0 | 0 | 0 | 114.5 | I219 | C217-I219 PolarHBondContact O-N 2.93Š|
| 218 | E | 50.7 | Low | 57 | Low | 123 Ų | 123 | 129.4 Ų | 129.4 | 58% | 0.575 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -81.4 | -6.9 | -174.1 | -61.6 | -175.7 | 165 | 0 | 0 | 115.7 | R222 | E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 3.1Å; E218-R222 PolarHBondContact O-NE 3.04Å; E218-R222 IonicContact OE2-CZ 2.69Å; E218-R222 IonicContact OE2-NH1 2.67Å; E218-R222 PolarHBondContact OE2-NH1 2.94Å; E218-R222 IonicContact OE2-NH2 2.81Å; E218-R222 PolarHBondContact OE2-NH2 3.06Å |
| 219 | I | 55.3 | Low | 59.4 | Low | 79 Ų | 79 | 124.3 Ų | 124.3 | 41% | 0.405 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73 | -48.2 | -172.3 | -61.1 | 175.3 | 0 | 0 | 0 | 110.3 | C217 E221 R222 D223 | C217-I219 PolarHBondContact O-N 2.93Å; I219-E221 PolarHBondContact O-N 2.87Å; I219-R222 PolarHBondContact O-N 3.24Å; I219-D223 PolarHBondContact O-N 3Å |
| 220 | N | 58.2 | Low | 62.4 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 69% | 0.69 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | -175 | -65.2 | -12.7 | 0 | 0 | 0 | 113.3 | D223 E224 | N220-D223 PolarHBondContact O-N 3.37Å; N220-E224 PolarHBondContact O-N 3.31Å |
| 221 | E | 62.7 | Low | 65.2 | Low | 148 Ų | 148 | 119.8 Ų | 119.8 | 69% | 0.692 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70 | -34.9 | 178.8 | -63.9 | -176.4 | 173.1 | 0 | 0 | 112 | I219 F225 | I219-E221 PolarHBondContact O-N 2.87Å; E221-F225 WeakPolarHBondContact O-CB 3.34Å; E221-F225 PolarHBondContact O-N 3.33Å; E221-F225 VanDerWaalsContact O-N 3.14Å |
| 222 | R | 72.7 | Confident | 68.2 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 49% | 0.494 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68 | -42.8 | 173.5 | -74.4 | -171.2 | -69 | -133 | -1.7 | 111.5 | E218 I219 F225 I226 | E218-R222 WeakPolarHBondContact O-CG 3.48Å; E218-R222 PolarHBondContact O-N 3.1Å; E218-R222 PolarHBondContact O-NE 3.04Å; E218-R222 IonicContact OE2-CZ 2.69Å; E218-R222 IonicContact OE2-NH1 2.67Å; E218-R222 PolarHBondContact OE2-NH1 2.94Å; E218-R222 IonicContact OE2-NH2 2.81Å; E218-R222 PolarHBondContact OE2-NH2 3.06Å; I219-R222 PolarHBondContact O-N 3.24Å; R222-F225 PolarHBondContact O-N 3.26Å; R222-I226 WeakPolarHBondContact O-CB 3.49Å; R222-I226 WeakPolarHBondContact O-CD1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.47Å; R222-I226 PolarHBondContact O-N 3.09Å |
| 223 | D | 74.7 | Confident | 71.2 | Confident | 80 Ų | 80 | 111.1 Ų | 111.1 | 43% | 0.428 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.1 | -40.8 | 177.7 | -71.9 | -18.7 | 0 | 0 | 0 | 111.8 | I219 N220 I226 I227 | I219-D223 PolarHBondContact O-N 3Å; N220-D223 PolarHBondContact O-N 3.37Å; D223-I226 PolarHBondContact O-N 3.16Å; D223-I227 WeakPolarHBondContact O-CB 3.44Å; D223-I227 WeakPolarHBondContact O-CD1 3.47Å; D223-I227 VanDerWaalsContact O-CG1 3.23Å; D223-I227 WeakPolarHBondContact O-CG1 3.33Å; D223-I227 PolarHBondContact O-N 3.26Å |
| 224 | E | 81.9 | Confident | 73.4 | Confident | 144 Ų | 144 | 109.8 Ų | 109.8 | 67% | 0.673 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.3 | -41.7 | 175.3 | -172.1 | 163.8 | -153.2 | 0 | 0 | 112.2 | N220 I227 E228 | N220-E224 PolarHBondContact O-N 3.31Å; E224-I227 PolarHBondContact O-N 3.31Å; E224-E228 PolarHBondContact O-N 3.32Å |
| 225 | F | 83.7 | Confident | 76.1 | Confident | 127 Ų | 127 | 106.8 Ų | 106.8 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.9 | -37.9 | 174.3 | 179.2 | -113.8 | 0 | 0 | 0 | 113.3 | E221 R222 E228 K229 | E221-F225 WeakPolarHBondContact O-CB 3.34Å; E221-F225 PolarHBondContact O-N 3.33Å; E221-F225 VanDerWaalsContact O-N 3.14Å; R222-F225 PolarHBondContact O-N 3.26Å; F225-E228 PolarHBondContact O-N 3.41Å; F225-K229 HydrophobicContact CD1-CD 4.45Å; F225-K229 HydrophobicContact CE1-CD 4.01Å; F225-K229 VanDerWaalsContact CE1-CE 3.5Å; F225-K229 HydrophobicContact CZ-CD 4.19Å; F225-K229 PolarHBondContact O-N 3.43Å |
| 226 | I | 87.6 | Confident | 78 | Confident | 87 Ų | 87 | 108.3 Ų | 108.3 | 45% | 0.446 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.2 | -70.6 | 162.4 | 0 | 0 | 0 | 110.2 | R222 D223 E228 K229 L230 | R222-I226 WeakPolarHBondContact O-CB 3.49Å; R222-I226 WeakPolarHBondContact O-CD1 3.32Å; R222-I226 WeakPolarHBondContact O-CG1 3.47Å; R222-I226 PolarHBondContact O-N 3.09Å; D223-I226 PolarHBondContact O-N 3.16Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 2.93Å; I226-K229 PolarHBondContact O-N 3.32Å; I226-L230 HydrophobicContact CG2-CD1 4Å; I226-L230 HydrophobicContact CG2-CG 4.48Å; I226-L230 WeakPolarHBondContact O-CG 3.36Å; I226-L230 PolarHBondContact O-N 3.22Å |
| 227 | I | 85.9 | Confident | 80.2 | Confident | 90 Ų | 90 | 106.5 Ų | 106.5 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 176 | -74.3 | 163.8 | 0 | 0 | 0 | 110.9 | D223 E224 L230 K231 | D223-I227 WeakPolarHBondContact O-CB 3.44Å; D223-I227 WeakPolarHBondContact O-CD1 3.47Å; D223-I227 VanDerWaalsContact O-CG1 3.23Å; D223-I227 WeakPolarHBondContact O-CG1 3.33Å; D223-I227 PolarHBondContact O-N 3.26Å; E224-I227 PolarHBondContact O-N 3.31Å; I227-L230 PolarHBondContact O-N 3.01Å; I227-K231 WeakPolarHBondContact O-CG 3.47Å; I227-K231 PolarHBondContact O-N 2.88Å |
| 228 | E | 90.5 | Very high | 82.4 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 179.9 | -158.6 | 58.1 | -145.9 | 0 | 0 | 112.5 | E224 F225 I226 L230 K231 S232 | E224-E228 PolarHBondContact O-N 3.32Å; F225-E228 PolarHBondContact O-N 3.41Å; I226-E228 VanDerWaalsContact C-N 3.34Å; I226-E228 PolarHBondContact O-N 2.93Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 3.09Å; E228-K231 PolarHBondContact O-N 3.49Å; E228-K231 WeakPolarHBondContact OE2-CD 3.38Å; E228-K231 WeakPolarHBondContact OE2-CE 3.49Å; E228-K231 IonicContact OE2-NZ 2.88Å; E228-K231 PolarHBondContact OE2-NZ 2.95Å; E228-S232 PolarHBondContact O-N 3.32Å |
| 229 | K | 91.6 | Very high | 84.5 | Confident | 129 Ų | 129 | 102.8 Ų | 102.8 | 56% | 0.561 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 169.4 | -84.1 | -177 | 168.5 | 177.7 | 0 | 112.3 | F225 I226 S232 A233 | F225-K229 HydrophobicContact CD1-CD 4.45Å; F225-K229 HydrophobicContact CE1-CD 4.01Å; F225-K229 VanDerWaalsContact CE1-CE 3.5Å; F225-K229 HydrophobicContact CZ-CD 4.19Å; F225-K229 PolarHBondContact O-N 3.43Å; I226-K229 PolarHBondContact O-N 3.32Å; K229-S232 PolarHBondContact O-N 2.97Å; K229-A233 PolarHBondContact O-N 2.87Å |
| 230 | L | 93.3 | Very high | 86.3 | Confident | 108 Ų | 108 | 102 Ų | 102 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -40.3 | 177.7 | -72.3 | 170.5 | 0 | 0 | 0 | 111.8 | I226 I227 E228 A233 V234 | I226-L230 HydrophobicContact CG2-CD1 4Å; I226-L230 HydrophobicContact CG2-CG 4.48Å; I226-L230 WeakPolarHBondContact O-CG 3.36Å; I226-L230 PolarHBondContact O-N 3.22Å; I227-L230 PolarHBondContact O-N 3.01Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 3.09Å; L230-A233 PolarHBondContact O-N 3.03Å; L230-V234 WeakPolarHBondContact O-CB 3.4Å; L230-V234 VanDerWaalsContact O-CG2 3.28Å; L230-V234 WeakPolarHBondContact O-CG2 3.34Å; L230-V234 PolarHBondContact O-N 3.02Å |
| 231 | K | 91.1 | Very high | 88 | Confident | 102 Ų | 102 | 104.3 Ų | 104.3 | 44% | 0.443 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 172.5 | -68.9 | 176.7 | -156.2 | 152.5 | 0 | 112 | I227 E228 V234 N235 | I227-K231 WeakPolarHBondContact O-CG 3.47Å; I227-K231 PolarHBondContact O-N 2.88Å; E228-K231 PolarHBondContact O-N 3.49Å; E228-K231 WeakPolarHBondContact OE2-CD 3.38Å; E228-K231 WeakPolarHBondContact OE2-CE 3.49Å; E228-K231 IonicContact OE2-NZ 2.88Å; E228-K231 PolarHBondContact OE2-NZ 2.95Å; K231-V234 PolarHBondContact O-N 3.28Å; K231-N235 WeakPolarHBondContact O-CB 3.09Å; K231-N235 PolarHBondContact O-N 3.12Å; K231-N235 PolarHBondContact O-ND2 2.86Å |
| 232 | S | 90.8 | Very high | 89.5 | Confident | 59 Ų | 59 | 101.4 Ų | 101.4 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 177.6 | -162 | 0 | 0 | 0 | 0 | 111.4 | E228 K229 V234 N235 E236 | E228-S232 PolarHBondContact O-N 3.32Å; K229-S232 PolarHBondContact O-N 2.97Å; S232-V234 PolarHBondContact O-N 3.13Å; S232-N235 PolarHBondContact O-N 3.35Å; S232-E236 PolarHBondContact O-N 2.94Å |
| 233 | A | 93.6 | Very high | 90.6 | Very high | 43 Ų | 43 | 101.7 Ų | 101.7 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K229 L230 N235 E236 I237 | K229-A233 PolarHBondContact O-N 2.87Å; L230-A233 PolarHBondContact O-N 3.03Å; A233-N235 PolarHBondContact O-N 3.43Å; A233-E236 PolarHBondContact O-N 3.33Å; A233-I237 WeakPolarHBondContact O-CB 3.47Å; A233-I237 WeakPolarHBondContact O-CD1 3.37Å; A233-I237 VanDerWaalsContact O-CG1 3.22Å; A233-I237 WeakPolarHBondContact O-CG1 3.3Å; A233-I237 PolarHBondContact O-N 2.67Å |
| 234 | V | 94.5 | Very high | 91.5 | Very high | 91 Ų | 91 | 102.6 Ų | 102.6 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | -40.4 | 175.4 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | L230 K231 S232 I237 A238 | L230-V234 WeakPolarHBondContact O-CB 3.4Å; L230-V234 VanDerWaalsContact O-CG2 3.28Å; L230-V234 WeakPolarHBondContact O-CG2 3.34Å; L230-V234 PolarHBondContact O-N 3.02Å; K231-V234 PolarHBondContact O-N 3.28Å; S232-V234 PolarHBondContact O-N 3.13Å; V234-I237 PolarHBondContact O-N 2.72Å; V234-A238 WeakPolarHBondContact O-CB 3.3Å; V234-A238 PolarHBondContact O-N 2.91Å |
| 235 | N | 91.7 | Very high | 92.1 | Very high | 103 Ų | 103 | 100.3 Ų | 100.3 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.6 | -42 | 175.7 | -75.5 | -27.5 | 0 | 0 | 0 | 112.1 | K231 S232 A233 A238 L239 | K231-N235 WeakPolarHBondContact O-CB 3.09Å; K231-N235 PolarHBondContact O-N 3.12Å; K231-N235 PolarHBondContact O-ND2 2.86Å; S232-N235 PolarHBondContact O-N 3.35Å; A233-N235 PolarHBondContact O-N 3.43Å; N235-A238 PolarHBondContact O-N 2.98Å; N235-L239 WeakPolarHBondContact O-CG 3.48Å; N235-L239 PolarHBondContact O-N 3.47Å |
| 236 | E | 93.9 | Very high | 92.6 | Very high | 130 Ų | 130 | 98.4 Ų | 98.4 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 175 | -74.6 | 176.7 | -167.7 | 0 | 0 | 112.1 | S232 A233 A238 L239 S240 | S232-E236 PolarHBondContact O-N 2.94Å; A233-E236 PolarHBondContact O-N 3.33Å; E236-A238 VanDerWaalsContact C-N 3.34Å; E236-A238 PolarHBondContact O-N 3.25Å; E236-L239 PolarHBondContact O-N 3.42Å; E236-S240 WeakPolarHBondContact O-CB 3.42Å; E236-S240 PolarHBondContact O-N 2.97Å |
| 237 | I | 93.1 | Very high | 92.9 | Very high | 117 Ų | 117 | 99.2 Ų | 99.2 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 173.9 | -69.7 | 164.6 | 0 | 0 | 0 | 110.8 | A233 V234 S240 R241 | A233-I237 WeakPolarHBondContact O-CB 3.47Å; A233-I237 WeakPolarHBondContact O-CD1 3.37Å; A233-I237 VanDerWaalsContact O-CG1 3.22Å; A233-I237 WeakPolarHBondContact O-CG1 3.3Å; A233-I237 PolarHBondContact O-N 2.67Å; V234-I237 PolarHBondContact O-N 2.72Å; I237-S240 PolarHBondContact O-N 2.8Å; I237-R241 VanDerWaalsContact O-CB 3.31Å; I237-R241 WeakPolarHBondContact O-CB 3.26Å; I237-R241 PolarHBondContact O-N 3.42Å |
| 238 | A | 93.3 | Very high | 93.2 | Very high | 44 Ų | 44 | 100.2 Ų | 100.2 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V234 N235 E236 R241 N242 | V234-A238 WeakPolarHBondContact O-CB 3.3Å; V234-A238 PolarHBondContact O-N 2.91Å; N235-A238 PolarHBondContact O-N 2.98Å; E236-A238 VanDerWaalsContact C-N 3.34Å; E236-A238 PolarHBondContact O-N 3.25Å; A238-R241 PolarHBondContact O-N 3.37Å; A238-N242 VanDerWaalsContact O-CG 3.26Å; A238-N242 PolarHBondContact O-N 2.96Å; A238-N242 PolarHBondContact O-ND2 3.1Å |
| 239 | L | 94.3 | Very high | 93.5 | Very high | 110 Ų | 110 | 100 Ų | 100 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.2 | -41.2 | 175.2 | -70.7 | 171.7 | 0 | 0 | 0 | 112.1 | N235 E236 N242 K243 | N235-L239 WeakPolarHBondContact O-CG 3.48Å; N235-L239 PolarHBondContact O-N 3.47Å; E236-L239 PolarHBondContact O-N 3.42Å; L239-N242 PolarHBondContact O-N 3.34Å; L239-K243 WeakPolarHBondContact O-CG 3.34Å; L239-K243 PolarHBondContact O-N 2.86Å; L239-K243 VanDerWaalsContact O-N 3.09Å |
| 240 | S | 93.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 100.6 Ų | 100.6 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 175.4 | -175.7 | 0 | 0 | 0 | 0 | 111.6 | E236 I237 N242 K243 L244 | E236-S240 WeakPolarHBondContact O-CB 3.42Å; E236-S240 PolarHBondContact O-N 2.97Å; I237-S240 PolarHBondContact O-N 2.8Å; S240-N242 VanDerWaalsContact C-N 3.33Å; S240-N242 PolarHBondContact O-N 3.03Å; S240-K243 PolarHBondContact O-N 2.82Å; S240-L244 WeakPolarHBondContact O-CG 3.43Å; S240-L244 PolarHBondContact O-N 2.9Å |
| 241 | R | 93.5 | Very high | 93.8 | Very high | 178 Ų | 178 | 100.6 Ų | 100.6 | 67% | 0.672 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.4 | -43.1 | 175.5 | 178.6 | 177.4 | 175.8 | 156.6 | 1.4 | 112.4 | I237 A238 L244 Q245 | I237-R241 VanDerWaalsContact O-CB 3.31Å; I237-R241 WeakPolarHBondContact O-CB 3.26Å; I237-R241 PolarHBondContact O-N 3.42Å; A238-R241 PolarHBondContact O-N 3.37Å; R241-L244 PolarHBondContact O-N 2.72Å; R241-Q245 WeakPolarHBondContact O-CB 3.4Å; R241-Q245 PolarHBondContact O-N 3.01Å |
| 242 | N | 94.6 | Very high | 94 | Very high | 87 Ų | 87 | 101.4 Ų | 101.4 | 47% | 0.465 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66 | -43 | 178.4 | -69.9 | -17.1 | 0 | 0 | 0 | 111.7 | A238 L239 S240 L244 Q245 D246 | A238-N242 VanDerWaalsContact O-CG 3.26Å; A238-N242 PolarHBondContact O-N 2.96Å; A238-N242 PolarHBondContact O-ND2 3.1Å; L239-N242 PolarHBondContact O-N 3.34Å; S240-N242 VanDerWaalsContact C-N 3.33Å; S240-N242 PolarHBondContact O-N 3.03Å; N242-L244 PolarHBondContact O-N 3.35Å; N242-Q245 WeakPolarHBondContact O-CB 3.29Å; N242-Q245 PolarHBondContact O-N 3.41Å; N242-D246 PolarHBondContact O-N 2.87Å |
| 243 | K | 96 | Very high | 94.3 | Very high | 138 Ų | 138 | 104.9 Ų | 104.9 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.9 | -46.5 | 174.4 | -71 | 174.6 | -177.8 | 178.7 | 0 | 112.2 | L239 S240 Q245 D246 E247 | L239-K243 WeakPolarHBondContact O-CG 3.34Å; L239-K243 PolarHBondContact O-N 2.86Å; L239-K243 VanDerWaalsContact O-N 3.09Å; S240-K243 PolarHBondContact O-N 2.82Å; K243-Q245 VanDerWaalsContact C-N 3.26Å; K243-Q245 PolarHBondContact O-N 2.93Å; K243-D246 PolarHBondContact O-N 2.9Å; K243-E247 WeakPolarHBondContact O-CG 3.44Å; K243-E247 PolarHBondContact O-N 3.42Å |
| 244 | L | 93.3 | Very high | 94.4 | Very high | 98 Ų | 98 | 107.1 Ų | 107.1 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -33.6 | 176.2 | -73.8 | 171.3 | 0 | 0 | 0 | 112.5 | S240 R241 N242 N248 | S240-L244 WeakPolarHBondContact O-CG 3.43Å; S240-L244 PolarHBondContact O-N 2.9Å; R241-L244 PolarHBondContact O-N 2.72Å; N242-L244 PolarHBondContact O-N 3.35Å; L244-N248 WeakPolarHBondContact O-CB 3.3Å; L244-N248 PolarHBondContact O-N 2.9Å |
| 245 | Q | 94.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 107.9 Ų | 107.9 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 174.3 | -177.1 | 175.7 | -49.7 | 0 | 0 | 111.7 | R241 N242 K243 N248 Q249 | R241-Q245 WeakPolarHBondContact O-CB 3.4Å; R241-Q245 PolarHBondContact O-N 3.01Å; N242-Q245 WeakPolarHBondContact O-CB 3.29Å; N242-Q245 PolarHBondContact O-N 3.41Å; K243-Q245 VanDerWaalsContact C-N 3.26Å; K243-Q245 PolarHBondContact O-N 2.93Å; Q245-N248 WeakPolarHBondContact O-CB 3.49Å; Q245-N248 PolarHBondContact O-N 3.41Å; Q245-Q249 WeakPolarHBondContact O-CG 3.44Å; Q245-Q249 PolarHBondContact O-N 3.34Å |
| 246 | D | 94.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 108.6 Ų | 108.6 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.6 | -70.1 | -15.5 | 0 | 0 | 0 | 112.1 | N242 K243 Q249 K250 | N242-D246 PolarHBondContact O-N 2.87Å; K243-D246 PolarHBondContact O-N 2.9Å; D246-Q249 PolarHBondContact O-N 3.01Å; D246-K250 WeakPolarHBondContact O-CG 3.44Å; D246-K250 PolarHBondContact O-N 3.38Å |
| 247 | E | 94.2 | Very high | 94.9 | Very high | 104 Ų | 104 | 108.1 Ų | 108.1 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 173.4 | -74.3 | 173.4 | -166.3 | 0 | 0 | 111.6 | K243 Q249 K250 L251 | K243-E247 WeakPolarHBondContact O-CG 3.44Å; K243-E247 PolarHBondContact O-N 3.42Å; E247-Q249 VanDerWaalsContact C-N 3.32Å; E247-Q249 PolarHBondContact O-N 3.45Å; E247-K250 PolarHBondContact O-N 3.14Å; E247-L251 WeakPolarHBondContact O-CG 3.18Å; E247-L251 PolarHBondContact O-N 3.48Å |
| 248 | N | 91.8 | Very high | 94.9 | Very high | 112 Ų | 112 | 108.6 Ų | 108.6 | 60% | 0.599 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.5 | -42.4 | 172.5 | -115.9 | -63.6 | 0 | 0 | 0 | 112.1 | L244 Q245 L251 L252 | L244-N248 WeakPolarHBondContact O-CB 3.3Å; L244-N248 PolarHBondContact O-N 2.9Å; Q245-N248 WeakPolarHBondContact O-CB 3.49Å; Q245-N248 PolarHBondContact O-N 3.41Å; N248-L251 PolarHBondContact O-N 3.46Å; N248-L252 VanDerWaalsContact O-CB 3.3Å; N248-L252 WeakPolarHBondContact O-CB 3.35Å; N248-L252 PolarHBondContact O-N 2.8Å |
| 249 | Q | 96.1 | Very high | 95 | Very high | 101 Ų | 101 | 111.6 Ų | 111.6 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 177 | -72.5 | -175.8 | 18.7 | 0 | 0 | 112.3 | Q245 D246 E247 L252 Q253 | Q245-Q249 WeakPolarHBondContact O-CG 3.44Å; Q245-Q249 PolarHBondContact O-N 3.34Å; D246-Q249 PolarHBondContact O-N 3.01Å; E247-Q249 VanDerWaalsContact C-N 3.32Å; E247-Q249 PolarHBondContact O-N 3.45Å; Q249-L252 PolarHBondContact O-N 3.19Å; Q249-Q253 WeakPolarHBondContact O-CG 3.29Å; Q249-Q253 PolarHBondContact O-N 3.47Å |
| 250 | K | 96.1 | Very high | 95.1 | Very high | 142 Ų | 142 | 112.2 Ų | 112.2 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -48.4 | 174.5 | -72.2 | 170.3 | -175.5 | 169.4 | 0 | 111.7 | D246 E247 L252 Q253 E254 | D246-K250 WeakPolarHBondContact O-CG 3.44Å; D246-K250 PolarHBondContact O-N 3.38Å; E247-K250 PolarHBondContact O-N 3.14Å; K250-L252 VanDerWaalsContact C-N 3.3Å; K250-L252 PolarHBondContact O-N 2.98Å; K250-Q253 WeakPolarHBondContact O-CB 3.45Å; K250-Q253 PolarHBondContact O-N 2.99Å; K250-Q253 VanDerWaalsContact O-N 3.12Å; K250-E254 PolarHBondContact O-N 3.38Å |
| 251 | L | 95.6 | Very high | 95.3 | Very high | 108 Ų | 108 | 115.3 Ų | 115.3 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -39 | 177.4 | -70.3 | 172.1 | 0 | 0 | 0 | 111.8 | E247 N248 E254 L255 | E247-L251 WeakPolarHBondContact O-CG 3.18Å; E247-L251 PolarHBondContact O-N 3.48Å; N248-L251 PolarHBondContact O-N 3.46Å; L251-E254 PolarHBondContact O-N 3.02Å; L251-L255 VanDerWaalsContact O-CB 3.3Å; L251-L255 WeakPolarHBondContact O-CB 3.41Å; L251-L255 PolarHBondContact O-N 2.98Å |
| 252 | L | 96.3 | Very high | 95.2 | Very high | 119 Ų | 119 | 109.6 Ų | 109.6 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -38 | 175.2 | -172.2 | 68.1 | 0 | 0 | 0 | 112.3 | N248 Q249 K250 K256 | N248-L252 VanDerWaalsContact O-CB 3.3Å; N248-L252 WeakPolarHBondContact O-CB 3.35Å; N248-L252 PolarHBondContact O-N 2.8Å; Q249-L252 PolarHBondContact O-N 3.19Å; K250-L252 VanDerWaalsContact C-N 3.3Å; K250-L252 PolarHBondContact O-N 2.98Å; L252-K256 WeakPolarHBondContact O-CB 3.37Å; L252-K256 PolarHBondContact O-N 3.22Å; L252-K256 VanDerWaalsContact O-N 3.12Å |
| 253 | Q | 96.9 | Very high | 95.3 | Very high | 133 Ų | 133 | 110.4 Ų | 110.4 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.1 | -42.9 | 173.4 | -72.8 | 178.2 | 15 | 0 | 0 | 111.7 | Q249 K250 K256 M257 | Q249-Q253 WeakPolarHBondContact O-CG 3.29Å; Q249-Q253 PolarHBondContact O-N 3.47Å; K250-Q253 WeakPolarHBondContact O-CB 3.45Å; K250-Q253 PolarHBondContact O-N 2.99Å; K250-Q253 VanDerWaalsContact O-N 3.12Å; Q253-K256 CarbonylContact O-C 3.54Å; Q253-K256 PolarHBondContact O-N 3.45Å; Q253-M257 WeakPolarHBondContact O-CG 3.42Å; Q253-M257 PolarHBondContact O-N 3.35Å |
| 254 | E | 95.7 | Very high | 95.2 | Very high | 89 Ų | 89 | 107 Ų | 107 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 179.3 | -158.1 | -173.3 | 161.3 | 0 | 0 | 111.6 | K250 L251 K256 M257 Y258 | K250-E254 PolarHBondContact O-N 3.38Å; L251-E254 PolarHBondContact O-N 3.02Å; E254-K256 VanDerWaalsContact C-N 3.29Å; E254-K256 PolarHBondContact O-N 3.12Å; E254-M257 WeakPolarHBondContact O-CA 3.5Å; E254-M257 WeakPolarHBondContact O-CB 3.38Å; E254-M257 PolarHBondContact O-N 3.2Å; E254-Y258 HydrophobicContact CG-CD2 4.16Å; E254-Y258 HydrophobicContact CG-CE2 3.52Å; E254-Y258 WeakPolarHBondContact O-CD2 3.47Å; E254-Y258 PolarHBondContact O-N 3.34Å; E254-Y258 WeakPolarHBondContact OE1-CE2 3.41Å; E254-Y258 VanDerWaalsContact OE1-CZ 3.31Å; E254-Y258 PolarHBondContact OE1-OH 2.96Å |
| 255 | L | 95.4 | Very high | 95.2 | Very high | 108 Ų | 108 | 108.1 Ų | 108.1 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.8 | -42 | 172.8 | -174.2 | 150.4 | 0 | 0 | 0 | 111.4 | L251 M257 Y258 Q259 | L251-L255 VanDerWaalsContact O-CB 3.3Å; L251-L255 WeakPolarHBondContact O-CB 3.41Å; L251-L255 PolarHBondContact O-N 2.98Å; L255-M257 VanDerWaalsContact C-N 3.28Å; L255-M257 PolarHBondContact O-N 3.49Å; L255-Y258 PolarHBondContact O-N 3.38Å; L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.88Å |
| 256 | K | 97.4 | Very high | 95.2 | Very high | 117 Ų | 117 | 108.9 Ų | 108.9 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -24.3 | 175 | -160.4 | -179.8 | -177 | 171.6 | 0 | 112.8 | L252 Q253 E254 R260 | L252-K256 WeakPolarHBondContact O-CB 3.37Å; L252-K256 PolarHBondContact O-N 3.22Å; L252-K256 VanDerWaalsContact O-N 3.12Å; Q253-K256 CarbonylContact O-C 3.54Å; Q253-K256 PolarHBondContact O-N 3.45Å; E254-K256 VanDerWaalsContact C-N 3.29Å; E254-K256 PolarHBondContact O-N 3.12Å; K256-R260 WeakPolarHBondContact O-CG 3.29Å; K256-R260 PolarHBondContact O-N 2.89Å; K256-R260 PolarHBondContact O-NH1 3.44Å |
| 257 | M | 96.7 | Very high | 95.1 | Very high | 121 Ų | 121 | 107.5 Ų | 107.5 | 60% | 0.596 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -73.6 | -50.9 | 171.9 | -73.9 | -65.4 | -68.7 | 0 | 0 | 110.9 | Q253 E254 L255 Q259 R260 Q261 | Q253-M257 WeakPolarHBondContact O-CG 3.42Å; Q253-M257 PolarHBondContact O-N 3.35Å; E254-M257 WeakPolarHBondContact O-CA 3.5Å; E254-M257 WeakPolarHBondContact O-CB 3.38Å; E254-M257 PolarHBondContact O-N 3.2Å; L255-M257 VanDerWaalsContact C-N 3.28Å; L255-M257 PolarHBondContact O-N 3.49Å; M257-Q259 VanDerWaalsContact C-N 3.31Å; M257-Q259 PolarHBondContact O-N 3.34Å; M257-R260 PolarHBondContact O-N 2.65Å; M257-Q261 PolarHBondContact O-N 2.91Å |
| 258 | Y | 93.5 | Very high | 95.3 | Very high | 127 Ų | 127 | 104 Ų | 104 | 50% | 0.498 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 176.2 | -66.7 | -54.6 | 0 | 0 | 0 | 112.3 | E254 L255 R260 Q261 C262 | E254-Y258 HydrophobicContact CG-CD2 4.16Å; E254-Y258 HydrophobicContact CG-CE2 3.52Å; E254-Y258 WeakPolarHBondContact O-CD2 3.47Å; E254-Y258 PolarHBondContact O-N 3.34Å; E254-Y258 WeakPolarHBondContact OE1-CE2 3.41Å; E254-Y258 VanDerWaalsContact OE1-CZ 3.31Å; E254-Y258 PolarHBondContact OE1-OH 2.96Å; L255-Y258 PolarHBondContact O-N 3.38Å; Y258-R260 VanDerWaalsContact C-N 3.32Å; Y258-R260 PolarHBondContact O-N 3.4Å; Y258-Q261 WeakPolarHBondContact O-CB 3.48Å; Y258-Q261 PolarHBondContact O-N 2.67Å; Y258-Q261 VanDerWaalsContact O-N 3.07Å; Y258-C262 PolarHBondContact O-N 3.28Å; Y258-C262 PolarHBondContact O-SG 3.04Å |
| 259 | Q | 95.8 | Very high | 95.4 | Very high | 106 Ų | 106 | 104.1 Ų | 104.1 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.8 | -42.9 | 176.1 | -172.1 | 179.8 | 17.8 | 0 | 0 | 112.4 | L255 M257 C262 Q263 | L255-Q259 WeakPolarHBondContact O-CB 3.41Å; L255-Q259 PolarHBondContact O-N 2.88Å; M257-Q259 VanDerWaalsContact C-N 3.31Å; M257-Q259 PolarHBondContact O-N 3.34Å; Q259-C262 PolarHBondContact O-N 3.16Å; Q259-Q263 WeakPolarHBondContact O-CG 3.39Å; Q259-Q263 PolarHBondContact O-N 3.26Å; Q259-Q263 VanDerWaalsContact O-N 3.12Å |
| 260 | R | 96.9 | Very high | 95.4 | Very high | 123 Ų | 123 | 103.1 Ų | 103.1 | 46% | 0.464 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 175.3 | -68.5 | -178.3 | -163.8 | 104.4 | -23.8 | 112.2 | K256 M257 Y258 Q263 A264 | K256-R260 WeakPolarHBondContact O-CG 3.29Å; K256-R260 PolarHBondContact O-N 2.89Å; K256-R260 PolarHBondContact O-NH1 3.44Å; M257-R260 PolarHBondContact O-N 2.65Å; Y258-R260 VanDerWaalsContact C-N 3.32Å; Y258-R260 PolarHBondContact O-N 3.4Å; R260-Q263 PolarHBondContact O-N 2.9Å; R260-A264 WeakPolarHBondContact O-CB 3.5Å; R260-A264 PolarHBondContact O-N 2.96Å |
| 261 | Q | 96.8 | Very high | 95.4 | Very high | 127 Ų | 127 | 102.9 Ų | 102.9 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 176.8 | -171.6 | 177.6 | 1.4 | 0 | 0 | 111.5 | M257 Y258 A264 M265 | M257-Q261 PolarHBondContact O-N 2.91Å; Y258-Q261 WeakPolarHBondContact O-CB 3.48Å; Y258-Q261 PolarHBondContact O-N 2.67Å; Y258-Q261 VanDerWaalsContact O-N 3.07Å; Q261-A264 PolarHBondContact O-N 3.5Å; Q261-M265 WeakPolarHBondContact O-CB 3.39Å; Q261-M265 PolarHBondContact O-N 3.44Å |
| 262 | C | 91.3 | Very high | 95.4 | Very high | 58 Ų | 58 | 102 Ų | 102 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 172.1 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | Y258 Q259 A264 M265 E266 | Y258-C262 PolarHBondContact O-N 3.28Å; Y258-C262 PolarHBondContact O-SG 3.04Å; Q259-C262 PolarHBondContact O-N 3.16Å; C262-A264 VanDerWaalsContact C-N 3.33Å; C262-A264 PolarHBondContact O-N 2.93Å; C262-M265 PolarHBondContact O-N 3.43Å; C262-M265 VanDerWaalsContact O-N 3.12Å; C262-E266 WeakPolarHBondContact O-CB 3.38Å; C262-E266 WeakPolarHBondContact O-CG 3.39Å; C262-E266 PolarHBondContact O-N 2.92Å |
| 263 | Q | 95.8 | Very high | 95.5 | Very high | 104 Ų | 104 | 104 Ų | 104 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 177.1 | -72.2 | 171 | -17.9 | 0 | 0 | 112.9 | Q259 R260 E266 A267 | Q259-Q263 WeakPolarHBondContact O-CG 3.39Å; Q259-Q263 PolarHBondContact O-N 3.26Å; Q259-Q263 VanDerWaalsContact O-N 3.12Å; R260-Q263 PolarHBondContact O-N 2.9Å; Q263-E266 PolarHBondContact O-N 3.28Å; Q263-A267 WeakPolarHBondContact O-CB 3.3Å; Q263-A267 PolarHBondContact O-N 2.88Å |
| 264 | A | 95.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 101.1 Ų | 101.1 | 56% | 0.562 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R260 Q261 C262 A267 G268 | R260-A264 WeakPolarHBondContact O-CB 3.5Å; R260-A264 PolarHBondContact O-N 2.96Å; Q261-A264 PolarHBondContact O-N 3.5Å; C262-A264 VanDerWaalsContact C-N 3.33Å; C262-A264 PolarHBondContact O-N 2.93Å; A264-A267 PolarHBondContact O-N 3.47Å; A264-G268 PolarHBondContact O-N 2.88Å |
| 265 | M | 92.6 | Very high | 95.4 | Very high | 120 Ų | 120 | 101 Ų | 101 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.4 | -40 | 176.1 | -175.6 | 170.7 | 59.1 | 0 | 0 | 112.1 | Q261 C262 A267 G268 L269 | Q261-M265 WeakPolarHBondContact O-CB 3.39Å; Q261-M265 PolarHBondContact O-N 3.44Å; C262-M265 PolarHBondContact O-N 3.43Å; C262-M265 VanDerWaalsContact O-N 3.12Å; M265-A267 VanDerWaalsContact C-N 3.35Å; M265-G268 PolarHBondContact O-N 2.74Å; M265-L269 HydrophobicContact CG-CD1 4.3Å; M265-L269 WeakPolarHBondContact O-CB 3.39Å; M265-L269 VanDerWaalsContact O-CG 3.31Å; M265-L269 WeakPolarHBondContact O-CG 3.18Å; M265-L269 PolarHBondContact O-N 2.9Å |
| 266 | E | 93.9 | Very high | 95.5 | Very high | 113 Ų | 113 | 100.7 Ų | 100.7 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 173.5 | -73.6 | 167 | -175.7 | 0 | 0 | 111.9 | C262 Q263 S270 | C262-E266 WeakPolarHBondContact O-CB 3.38Å; C262-E266 WeakPolarHBondContact O-CG 3.39Å; C262-E266 PolarHBondContact O-N 2.92Å; Q263-E266 PolarHBondContact O-N 3.28Å; E266-S270 WeakPolarHBondContact O-CB 3.35Å; E266-S270 PolarHBondContact O-N 3.42Å; E266-S270 PolarHBondContact O-OG 2.93Å |
| 267 | A | 94.1 | Very high | 95.5 | Very high | 58 Ų | 58 | 99.9 Ų | 99.9 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q263 A264 M265 L269 S270 E271 | Q263-A267 WeakPolarHBondContact O-CB 3.3Å; Q263-A267 PolarHBondContact O-N 2.88Å; A264-A267 PolarHBondContact O-N 3.47Å; M265-A267 VanDerWaalsContact C-N 3.35Å; A267-L269 PolarHBondContact O-N 2.9Å; A267-S270 WeakPolarHBondContact O-CA 3.47Å; A267-S270 WeakPolarHBondContact O-CB 3.46Å; A267-S270 PolarHBondContact O-N 3.29Å; A267-E271 PolarHBondContact O-N 2.93Å |
| 268 | G | 96.8 | Very high | 95.5 | Very high | 29 Ų | 29 | 97.3 Ų | 97.3 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A264 M265 S270 E271 V272 | A264-G268 PolarHBondContact O-N 2.88Å; M265-G268 PolarHBondContact O-N 2.74Å; G268-S270 VanDerWaalsContact C-N 3.31Å; G268-S270 PolarHBondContact O-N 3.36Å; G268-E271 PolarHBondContact O-N 3.34Å; G268-V272 WeakPolarHBondContact O-CG2 3.36Å; G268-V272 PolarHBondContact O-N 3.1Å |
| 269 | L | 93.9 | Very high | 95.6 | Very high | 116 Ų | 116 | 98.2 Ų | 98.2 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -35.9 | 171.8 | -75.9 | 170.3 | 0 | 0 | 0 | 112.3 | M265 A267 K273 | M265-L269 HydrophobicContact CG-CD1 4.3Å; M265-L269 WeakPolarHBondContact O-CB 3.39Å; M265-L269 VanDerWaalsContact O-CG 3.31Å; M265-L269 WeakPolarHBondContact O-CG 3.18Å; M265-L269 PolarHBondContact O-N 2.9Å; A267-L269 PolarHBondContact O-N 2.9Å; L269-K273 VanDerWaalsContact O-CB 3.27Å; L269-K273 WeakPolarHBondContact O-CB 3.39Å; L269-K273 PolarHBondContact O-N 3.47Å |
| 270 | S | 96 | Very high | 95.7 | Very high | 79 Ų | 79 | 96.2 Ų | 96.2 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.9 | -39.4 | 176.9 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | E266 A267 G268 K273 S274 | E266-S270 WeakPolarHBondContact O-CB 3.35Å; E266-S270 PolarHBondContact O-N 3.42Å; E266-S270 PolarHBondContact O-OG 2.93Å; A267-S270 WeakPolarHBondContact O-CA 3.47Å; A267-S270 WeakPolarHBondContact O-CB 3.46Å; A267-S270 PolarHBondContact O-N 3.29Å; G268-S270 VanDerWaalsContact C-N 3.31Å; G268-S270 PolarHBondContact O-N 3.36Å; S270-K273 PolarHBondContact O-N 2.84Å; S270-S274 PolarHBondContact O-N 3.11Å |
| 271 | E | 96.1 | Very high | 95.7 | Very high | 138 Ų | 138 | 93.8 Ų | 93.8 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62 | -54.4 | 174.1 | -175.8 | 174.5 | -166.1 | 0 | 0 | 111.4 | A267 G268 K273 S274 E275 | A267-E271 PolarHBondContact O-N 2.93Å; G268-E271 PolarHBondContact O-N 3.34Å; E271-K273 VanDerWaalsContact C-N 3.25Å; E271-K273 PolarHBondContact O-N 2.87Å; E271-S274 WeakPolarHBondContact O-CA 3.27Å; E271-S274 WeakPolarHBondContact O-CB 3.49Å; E271-S274 PolarHBondContact O-N 3.44Å; E271-S274 PolarHBondContact O-OG 3.46Å; E271-E275 PolarHBondContact O-N 2.82Å |
| 272 | V | 96.8 | Very high | 95.7 | Very high | 90 Ų | 90 | 92.5 Ų | 92.5 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.5 | -37 | 177.7 | 172 | 0 | 0 | 0 | 0 | 111.8 | G268 E275 L276 | G268-V272 WeakPolarHBondContact O-CG2 3.36Å; G268-V272 PolarHBondContact O-N 3.1Å; V272-E275 PolarHBondContact O-N 3.27Å; V272-L276 WeakPolarHBondContact O-CB 3.44Å; V272-L276 PolarHBondContact O-N 3.47Å |
| 273 | K | 97.7 | Very high | 96 | Very high | 160 Ų | 160 | 95 Ų | 95 | 70% | 0.696 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -38.6 | 174.4 | -174.6 | -177.1 | 178.1 | -172.6 | 0 | 112.2 | L269 S270 E271 Q277 | L269-K273 VanDerWaalsContact O-CB 3.27Å; L269-K273 WeakPolarHBondContact O-CB 3.39Å; L269-K273 PolarHBondContact O-N 3.47Å; S270-K273 PolarHBondContact O-N 2.84Å; E271-K273 VanDerWaalsContact C-N 3.25Å; E271-K273 PolarHBondContact O-N 2.87Å; K273-Q277 WeakPolarHBondContact O-CB 3.31Å; K273-Q277 PolarHBondContact O-N 3.1Å; K273-Q277 VanDerWaalsContact O-N 3.11Å |
| 274 | S | 94.4 | Very high | 96.1 | Very high | 73 Ų | 73 | 95.6 Ų | 95.6 | 51% | 0.51 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.6 | -36.4 | 176.4 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | S270 E271 Q277 S278 | S270-S274 PolarHBondContact O-N 3.11Å; E271-S274 WeakPolarHBondContact O-CA 3.27Å; E271-S274 WeakPolarHBondContact O-CB 3.49Å; E271-S274 PolarHBondContact O-N 3.44Å; E271-S274 PolarHBondContact O-OG 3.46Å; S274-Q277 PolarHBondContact O-N 3.2Å; S274-S278 PolarHBondContact O-N 2.84Å |
| 275 | E | 97.2 | Very high | 96.2 | Very high | 86 Ų | 86 | 96.7 Ų | 96.7 | 40% | 0.402 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 174.6 | -161.8 | -161 | 156.9 | 0 | 0 | 111.8 | E271 V272 Q277 S278 R279 | E271-E275 PolarHBondContact O-N 2.82Å; V272-E275 PolarHBondContact O-N 3.27Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.9Å; E275-S278 PolarHBondContact O-N 3.44Å; E275-S278 PolarHBondContact O-OG 3.41Å; E275-R279 WeakPolarHBondContact O-CG 3.32Å; E275-R279 PolarHBondContact O-N 3.38Å; E275-R279 IonicContact OE1-CZ 2.68Å; E275-R279 IonicContact OE1-NE 3.87Å; E275-R279 PolarHBondContact OE1-NE 3.49Å; E275-R279 IonicContact OE1-NH2 3.24Å; E275-R279 PolarHBondContact OE1-NH2 3.46Å |
| 276 | L | 97.4 | Very high | 96.4 | Very high | 102 Ų | 102 | 95.1 Ų | 95.1 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.4 | -178.4 | 61.8 | 0 | 0 | 0 | 111.3 | V272 S278 R279 D280 | V272-L276 WeakPolarHBondContact O-CB 3.44Å; V272-L276 PolarHBondContact O-N 3.47Å; L276-S278 VanDerWaalsContact C-N 3.35Å; L276-S278 PolarHBondContact O-N 3.06Å; L276-R279 PolarHBondContact O-N 3.45Å; L276-D280 PolarHBondContact O-N 2.97Å |
| 277 | Q | 96.8 | Very high | 96.6 | Very high | 99 Ų | 99 | 93.1 Ų | 93.1 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 175.9 | 178.6 | 63.1 | 51.2 | 0 | 0 | 111.9 | K273 S274 E275 D280 D281 | K273-Q277 WeakPolarHBondContact O-CB 3.31Å; K273-Q277 PolarHBondContact O-N 3.1Å; K273-Q277 VanDerWaalsContact O-N 3.11Å; S274-Q277 PolarHBondContact O-N 3.2Å; E275-Q277 VanDerWaalsContact C-N 3.33Å; E275-Q277 PolarHBondContact O-N 2.9Å; Q277-D280 PolarHBondContact O-N 3.31Å; Q277-D281 PolarHBondContact NE2-OD2 3.03Å; Q277-D281 PolarHBondContact O-N 3.07Å; Q277-D281 VanDerWaalsContact O-OD2 3.08Å |
| 278 | S | 96.1 | Very high | 96.7 | Very high | 67 Ų | 67 | 97 Ų | 97 | 47% | 0.469 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -33.7 | 179 | 73.4 | 0 | 0 | 0 | 0 | 112.9 | S274 E275 L276 D281 L282 | S274-S278 PolarHBondContact O-N 2.84Å; E275-S278 PolarHBondContact O-N 3.44Å; E275-S278 PolarHBondContact O-OG 3.41Å; L276-S278 VanDerWaalsContact C-N 3.35Å; L276-S278 PolarHBondContact O-N 3.06Å; S278-D281 PolarHBondContact O-N 2.81Å; S278-L282 PolarHBondContact O-N 3.25Å |
| 279 | R | 96.1 | Very high | 96.6 | Very high | 147 Ų | 147 | 101 Ų | 101 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 171 | -70.2 | 168.7 | 175.6 | -126.1 | 4.1 | 111.7 | E275 L276 D281 L282 L283 | E275-R279 WeakPolarHBondContact O-CG 3.32Å; E275-R279 PolarHBondContact O-N 3.38Å; E275-R279 IonicContact OE1-CZ 2.68Å; E275-R279 IonicContact OE1-NE 3.87Å; E275-R279 PolarHBondContact OE1-NE 3.49Å; E275-R279 IonicContact OE1-NH2 3.24Å; E275-R279 PolarHBondContact OE1-NH2 3.46Å; L276-R279 PolarHBondContact O-N 3.45Å; R279-D281 VanDerWaalsContact C-N 3.34Å; R279-L282 PolarHBondContact O-N 3.5Å; R279-L283 WeakPolarHBondContact O-CG 3.45Å; R279-L283 PolarHBondContact O-N 2.91Å |
| 280 | D | 97.3 | Very high | 96.6 | Very high | 64 Ų | 64 | 102.5 Ų | 102.5 | 34% | 0.342 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 175.1 | -76 | -16.1 | 0 | 0 | 0 | 112.3 | L276 Q277 R284 | L276-D280 PolarHBondContact O-N 2.97Å; Q277-D280 PolarHBondContact O-N 3.31Å; D280-R284 WeakPolarHBondContact O-CG 3.42Å; D280-R284 PolarHBondContact O-N 2.98Å; D280-R284 VanDerWaalsContact O-N 3.08Å; D280-R284 PolarHBondContact O-NH1 3.48Å |
| 281 | D | 97.2 | Very high | 96.7 | Very high | 71 Ų | 71 | 103.2 Ų | 103.2 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 172.3 | -79.8 | -52.4 | 0 | 0 | 0 | 111.9 | Q277 S278 R279 R284 I285 | Q277-D281 PolarHBondContact NE2-OD2 3.03Å; Q277-D281 PolarHBondContact O-N 3.07Å; Q277-D281 VanDerWaalsContact O-OD2 3.08Å; S278-D281 PolarHBondContact O-N 2.81Å; R279-D281 VanDerWaalsContact C-N 3.34Å; D281-R284 WeakPolarHBondContact O-CB 3.4Å; D281-R284 PolarHBondContact O-N 3.28Å; D281-R284 IonicContact OD1-CZ 2.67Å; D281-R284 IonicContact OD1-NE 2.66Å; D281-R284 PolarHBondContact OD1-NE 3.08Å; D281-R284 IonicContact OD1-NH2 3.12Å; D281-R284 PolarHBondContact OD1-NH2 3.24Å; D281-R284 IonicContact OD2-NH2 2.59Å; D281-R284 PolarHBondContact OD2-NH2 3.16Å; D281-I285 WeakPolarHBondContact O-CG1 3.23Å; D281-I285 PolarHBondContact O-N 3.25Å; D281-I285 VanDerWaalsContact O-N 3.15Å |
| 282 | L | 98.1 | Very high | 96.7 | Very high | 100 Ų | 100 | 102.2 Ų | 102.2 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 174.7 | -179.1 | 60.9 | 0 | 0 | 0 | 112.2 | S278 R279 R284 I285 I286 | S278-L282 PolarHBondContact O-N 3.25Å; R279-L282 PolarHBondContact O-N 3.5Å; L282-R284 VanDerWaalsContact C-N 3.31Å; L282-R284 PolarHBondContact O-N 3.15Å; L282-I285 PolarHBondContact O-N 3.35Å; L282-I285 VanDerWaalsContact O-N 3.16Å; L282-I286 HydrophobicContact CD1-CD1 4.25Å; L282-I286 HydrophobicContact CD1-CG1 4.46Å; L282-I286 HydrophobicContact CG-CD1 4Å; L282-I286 WeakPolarHBondContact O-CG1 3.3Å; L282-I286 PolarHBondContact O-N 3.49Å |
| 283 | L | 97.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 102.9 Ų | 102.9 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62 | -37.3 | 175.7 | -75.3 | 170.3 | 0 | 0 | 0 | 112.3 | R279 E287 | R279-L283 WeakPolarHBondContact O-CG 3.45Å; R279-L283 PolarHBondContact O-N 2.91Å; L283-E287 WeakPolarHBondContact O-CB 3.28Å; L283-E287 PolarHBondContact O-N 3.19Å |
| 284 | R | 97.7 | Very high | 96.5 | Very high | 118 Ų | 118 | 101.3 Ų | 101.3 | 45% | 0.445 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 172.5 | -78.6 | -176.4 | -78.5 | -82.1 | 7.9 | 112.2 | D280 D281 L282 M288 | D280-R284 WeakPolarHBondContact O-CG 3.42Å; D280-R284 PolarHBondContact O-N 2.98Å; D280-R284 VanDerWaalsContact O-N 3.08Å; D280-R284 PolarHBondContact O-NH1 3.48Å; D281-R284 WeakPolarHBondContact O-CB 3.4Å; D281-R284 PolarHBondContact O-N 3.28Å; D281-R284 IonicContact OD1-CZ 2.67Å; D281-R284 IonicContact OD1-NE 2.66Å; D281-R284 PolarHBondContact OD1-NE 3.08Å; D281-R284 IonicContact OD1-NH2 3.12Å; D281-R284 PolarHBondContact OD1-NH2 3.24Å; D281-R284 IonicContact OD2-NH2 2.59Å; D281-R284 PolarHBondContact OD2-NH2 3.16Å; L282-R284 VanDerWaalsContact C-N 3.31Å; L282-R284 PolarHBondContact O-N 3.15Å; R284-M288 WeakPolarHBondContact O-CG 3.5Å; R284-M288 PolarHBondContact O-N 3.11Å; R284-M288 VanDerWaalsContact O-N 3.08Å |
| 285 | I | 97.6 | Very high | 96.6 | Very high | 91 Ų | 91 | 106.1 Ų | 106.1 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -50.9 | 177.9 | -65.7 | 165.4 | 0 | 0 | 0 | 110.3 | D281 L282 E287 M288 E289 | D281-I285 WeakPolarHBondContact O-CG1 3.23Å; D281-I285 PolarHBondContact O-N 3.25Å; D281-I285 VanDerWaalsContact O-N 3.15Å; L282-I285 PolarHBondContact O-N 3.35Å; L282-I285 VanDerWaalsContact O-N 3.16Å; I285-E287 VanDerWaalsContact C-N 3.31Å; I285-E287 PolarHBondContact O-N 2.97Å; I285-M288 WeakPolarHBondContact O-CB 3.25Å; I285-M288 PolarHBondContact O-N 3.4Å; I285-M288 VanDerWaalsContact O-N 3.08Å; I285-E289 PolarHBondContact O-N 2.9Å |
| 286 | I | 96.2 | Very high | 96.4 | Very high | 87 Ų | 87 | 105.9 Ų | 105.9 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -40.1 | 179.8 | -65.9 | 167 | 0 | 0 | 0 | 111.6 | L282 E289 R290 | L282-I286 HydrophobicContact CD1-CD1 4.25Å; L282-I286 HydrophobicContact CD1-CG1 4.46Å; L282-I286 HydrophobicContact CG-CD1 4Å; L282-I286 WeakPolarHBondContact O-CG1 3.3Å; L282-I286 PolarHBondContact O-N 3.49Å; I286-E289 PolarHBondContact O-N 3.49Å; I286-R290 WeakPolarHBondContact O-CB 3.4Å; I286-R290 PolarHBondContact O-N 2.96Å |
| 287 | E | 97.2 | Very high | 96.1 | Very high | 70 Ų | 70 | 106.5 Ų | 106.5 | 33% | 0.327 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 175.7 | 179.7 | 59.4 | -137.2 | 0 | 0 | 111.8 | L283 I285 R290 L291 | L283-E287 WeakPolarHBondContact O-CB 3.28Å; L283-E287 PolarHBondContact O-N 3.19Å; I285-E287 VanDerWaalsContact C-N 3.31Å; I285-E287 PolarHBondContact O-N 2.97Å; E287-R290 VanDerWaalsContact CD-CZ 3.46Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 2.78Å; E287-R290 IonicContact OE1-NE 3.14Å; E287-R290 IonicContact OE1-NH1 3.36Å; E287-R290 IonicContact OE1-NH2 3.3Å; E287-R290 PolarHBondContact OE1-NH2 3.21Å; E287-R290 IonicContact OE2-CZ 3.56Å; E287-R290 IonicContact OE2-NE 2.76Å; E287-R290 IonicContact OE2-NH1 2.7Å; E287-R290 PolarHBondContact OE2-NH1 2.97Å; E287-R290 IonicContact OE2-NH2 3.47Å; E287-R290 PolarHBondContact OE2-NH2 3.36Å; E287-L291 HydrophobicContact CG-CD1 4.42Å; E287-L291 VanDerWaalsContact O-CG 3.3Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 2.91Å; E287-L291 VanDerWaalsContact O-N 3.09Å |
| 288 | M | 96.2 | Very high | 95.9 | Very high | 141 Ų | 141 | 106.8 Ų | 106.8 | 70% | 0.695 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -42.8 | 174.5 | -74.1 | -171.2 | 66.5 | 0 | 0 | 112.5 | R284 I285 L291 Q292 | R284-M288 WeakPolarHBondContact O-CG 3.5Å; R284-M288 PolarHBondContact O-N 3.11Å; R284-M288 VanDerWaalsContact O-N 3.08Å; I285-M288 WeakPolarHBondContact O-CB 3.25Å; I285-M288 PolarHBondContact O-N 3.4Å; I285-M288 VanDerWaalsContact O-N 3.08Å; M288-L291 PolarHBondContact O-N 3.05Å; M288-Q292 PolarHBondContact O-N 3.01Å |
| 289 | E | 95.6 | Very high | 95.7 | Very high | 111 Ų | 111 | 109.4 Ų | 109.4 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 175.7 | -71.3 | 177.9 | 167.7 | 0 | 0 | 111.6 | I285 I286 L291 Q292 L293 | I285-E289 PolarHBondContact O-N 2.9Å; I286-E289 PolarHBondContact O-N 3.49Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 3.1Å; E289-Q292 PolarHBondContact O-N 3.42Å; E289-Q292 VanDerWaalsContact O-N 3.15Å; E289-L293 WeakPolarHBondContact O-CG 3.38Å; E289-L293 PolarHBondContact O-N 2.9Å |
| 290 | R | 94.7 | Very high | 95.3 | Very high | 148 Ų | 148 | 106.8 Ų | 106.8 | 56% | 0.558 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -57.9 | -44.4 | 175 | -167.5 | -171.5 | 79.3 | -154.2 | 2.6 | 111.8 | I286 E287 Q292 H294 | I286-R290 WeakPolarHBondContact O-CB 3.4Å; I286-R290 PolarHBondContact O-N 2.96Å; E287-R290 VanDerWaalsContact CD-CZ 3.46Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 2.78Å; E287-R290 IonicContact OE1-NE 3.14Å; E287-R290 IonicContact OE1-NH1 3.36Å; E287-R290 IonicContact OE1-NH2 3.3Å; E287-R290 PolarHBondContact OE1-NH2 3.21Å; E287-R290 IonicContact OE2-CZ 3.56Å; E287-R290 IonicContact OE2-NE 2.76Å; E287-R290 IonicContact OE2-NH1 2.7Å; E287-R290 PolarHBondContact OE2-NH1 2.97Å; E287-R290 IonicContact OE2-NH2 3.47Å; E287-R290 PolarHBondContact OE2-NH2 3.36Å; R290-Q292 VanDerWaalsContact C-N 3.34Å; R290-H294 WeakPolarHBondContact O-CB 3.49Å; R290-H294 PolarHBondContact O-N 2.98Å |
| 291 | L | 96.8 | Very high | 94.6 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 177.7 | -70.1 | 170.1 | 0 | 0 | 0 | 112.3 | E287 M288 E289 R295 | E287-L291 HydrophobicContact CG-CD1 4.42Å; E287-L291 VanDerWaalsContact O-CG 3.3Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 2.91Å; E287-L291 VanDerWaalsContact O-N 3.09Å; M288-L291 PolarHBondContact O-N 3.05Å; E289-L291 VanDerWaalsContact C-N 3.32Å; E289-L291 PolarHBondContact O-N 3.1Å; L291-R295 PolarHBondContact O-N 3.15Å |
| 292 | Q | 96.2 | Very high | 93.9 | Very high | 117 Ų | 117 | 107.3 Ų | 107.3 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.3 | -51 | 173.7 | 177.8 | 170 | -21.3 | 0 | 0 | 111.6 | M288 E289 R290 H294 R295 E296 | M288-Q292 PolarHBondContact O-N 3.01Å; E289-Q292 PolarHBondContact O-N 3.42Å; E289-Q292 VanDerWaalsContact O-N 3.15Å; R290-Q292 VanDerWaalsContact C-N 3.34Å; Q292-H294 VanDerWaalsContact C-N 3.27Å; Q292-H294 PolarHBondContact O-N 2.94Å; Q292-R295 WeakPolarHBondContact O-CA 3.48Å; Q292-R295 WeakPolarHBondContact O-CB 3.35Å; Q292-R295 PolarHBondContact O-N 3.24Å; Q292-E296 WeakPolarHBondContact CG-OE1 3.48Å; Q292-E296 PolarHBondContact NE2-OE1 3.34Å; Q292-E296 PolarHBondContact O-N 3.36Å |
| 293 | L | 95.1 | Very high | 92.7 | Very high | 104 Ų | 104 | 106.8 Ų | 106.8 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 177.5 | -70.7 | 172.6 | 0 | 0 | 0 | 111.7 | E289 R295 E296 L297 | E289-L293 WeakPolarHBondContact O-CG 3.38Å; E289-L293 PolarHBondContact O-N 2.9Å; L293-R295 VanDerWaalsContact C-N 3.32Å; L293-R295 PolarHBondContact O-N 2.64Å; L293-E296 PolarHBondContact O-N 2.87Å; L293-L297 WeakPolarHBondContact O-CG 3.41Å; L293-L297 PolarHBondContact O-N 2.87Å |
| 294 | H | 95.2 | Very high | 91.6 | Very high | 126 Ų | 126 | 107.9 Ų | 107.9 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -37.9 | 175.6 | -163.7 | 64.1 | 0 | 0 | 0 | 112.5 | R290 Q292 L298 | R290-H294 WeakPolarHBondContact O-CB 3.49Å; R290-H294 PolarHBondContact O-N 2.98Å; Q292-H294 VanDerWaalsContact C-N 3.27Å; Q292-H294 PolarHBondContact O-N 2.94Å; H294-L298 PolarHBondContact O-N 3.45Å; H294-L298 VanDerWaalsContact O-N 3.16Å |
| 295 | R | 95.9 | Very high | 90.2 | Very high | 175 Ų | 175 | 107.6 Ų | 107.6 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.9 | -35.1 | 174.3 | -172.8 | -174.9 | -64.7 | -174.1 | -0.6 | 112.4 | L291 Q292 L293 K299 | L291-R295 PolarHBondContact O-N 3.15Å; Q292-R295 WeakPolarHBondContact O-CA 3.48Å; Q292-R295 WeakPolarHBondContact O-CB 3.35Å; Q292-R295 PolarHBondContact O-N 3.24Å; L293-R295 VanDerWaalsContact C-N 3.32Å; L293-R295 PolarHBondContact O-N 2.64Å; R295-K299 WeakPolarHBondContact O-CG 3.44Å; R295-K299 PolarHBondContact O-N 3.29Å |
| 296 | E | 93.2 | Very high | 88.7 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72 | -43 | 177.2 | -71.4 | 174.9 | -164.4 | 0 | 0 | 111.9 | Q292 L293 L298 K299 I300 | Q292-E296 WeakPolarHBondContact CG-OE1 3.48Å; Q292-E296 PolarHBondContact NE2-OE1 3.34Å; Q292-E296 PolarHBondContact O-N 3.36Å; L293-E296 PolarHBondContact O-N 2.87Å; E296-L298 VanDerWaalsContact C-N 3.29Å; E296-L298 PolarHBondContact O-N 2.98Å; E296-K299 PolarHBondContact O-N 2.91Å; E296-I300 WeakPolarHBondContact O-CG1 3.44Å; E296-I300 PolarHBondContact O-N 3.4Å |
| 297 | L | 92.7 | Very high | 87 | Confident | 116 Ų | 116 | 109.3 Ų | 109.3 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.1 | -39.6 | 172.9 | -72.8 | 171.5 | 0 | 0 | 0 | 112.4 | L293 I300 G301 | L293-L297 WeakPolarHBondContact O-CG 3.41Å; L293-L297 PolarHBondContact O-N 2.87Å; L297-I300 PolarHBondContact O-N 3.32Å; L297-G301 PolarHBondContact O-N 3.48Å |
| 298 | L | 91.3 | Very high | 85.1 | Confident | 105 Ų | 105 | 107.7 Ų | 107.7 | 55% | 0.55 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 177 | -147.1 | 86.3 | 0 | 0 | 0 | 111.5 | H294 E296 I300 G301 E302 | H294-L298 PolarHBondContact O-N 3.45Å; H294-L298 VanDerWaalsContact O-N 3.16Å; E296-L298 VanDerWaalsContact C-N 3.29Å; E296-L298 PolarHBondContact O-N 2.98Å; L298-I300 VanDerWaalsContact C-N 3.34Å; L298-I300 PolarHBondContact O-N 2.97Å; L298-G301 PolarHBondContact O-N 3.23Å; L298-E302 WeakPolarHBondContact O-CG 3.48Å; L298-E302 PolarHBondContact O-N 2.88Å |
| 299 | K | 91.6 | Very high | 83.2 | Confident | 122 Ų | 122 | 106 Ų | 106 | 53% | 0.53 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.1 | -68.2 | 172.9 | 179.6 | 179.1 | 0 | 112.3 | R295 E296 G301 E302 C303 | R295-K299 WeakPolarHBondContact O-CG 3.44Å; R295-K299 PolarHBondContact O-N 3.29Å; E296-K299 PolarHBondContact O-N 2.91Å; K299-G301 VanDerWaalsContact C-N 3.34Å; K299-E302 PolarHBondContact O-N 2.93Å; K299-C303 PolarHBondContact O-N 3.24Å; K299-C303 VanDerWaalsContact O-N 3.09Å; K299-C303 PolarHBondContact O-SG 2.9Å; K299-C303 VanDerWaalsContact O-SG 3.39Å |
| 300 | I | 88 | Confident | 81.3 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 177.9 | -67.1 | 166.3 | 0 | 0 | 0 | 110.4 | E296 L297 L298 E302 C303 Q304 | E296-I300 WeakPolarHBondContact O-CG1 3.44Å; E296-I300 PolarHBondContact O-N 3.4Å; L297-I300 PolarHBondContact O-N 3.32Å; L298-I300 VanDerWaalsContact C-N 3.34Å; L298-I300 PolarHBondContact O-N 2.97Å; I300-E302 PolarHBondContact O-N 2.9Å; I300-C303 PolarHBondContact O-N 3.28Å; I300-Q304 WeakPolarHBondContact O-CG 3.5Å; I300-Q304 PolarHBondContact O-N 3.34Å |
| 301 | G | 83.7 | Confident | 79.4 | Confident | 24 Ų | 24 | 105.1 Ų | 105.1 | 25% | 0.247 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L297 L298 K299 Q304 N305 | L297-G301 PolarHBondContact O-N 3.48Å; L298-G301 PolarHBondContact O-N 3.23Å; K299-G301 VanDerWaalsContact C-N 3.34Å; G301-Q304 PolarHBondContact O-N 3.17Å; G301-N305 PolarHBondContact O-N 2.84Å; G301-N305 VanDerWaalsContact O-N 3.12Å; G301-N305 PolarHBondContact O-ND2 3.44Å |
| 302 | E | 81.3 | Confident | 77.3 | Confident | 122 Ų | 122 | 110.9 Ų | 110.9 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.9 | -45.2 | 174.1 | -70.7 | 170.6 | 174.6 | 0 | 0 | 111.8 | L298 K299 I300 N305 A306 | L298-E302 WeakPolarHBondContact O-CG 3.48Å; L298-E302 PolarHBondContact O-N 2.88Å; K299-E302 PolarHBondContact O-N 2.93Å; I300-E302 PolarHBondContact O-N 2.9Å; E302-N305 PolarHBondContact O-N 3.33Å; E302-A306 PolarHBondContact O-N 3.02Å; E302-A306 VanDerWaalsContact O-N 3.13Å |
| 303 | C | 73.5 | Confident | 75.2 | Confident | 88 Ų | 88 | 112.1 Ų | 112.1 | 60% | 0.595 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.3 | -42.5 | 176.4 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | K299 I300 A306 Q307 | K299-C303 PolarHBondContact O-N 3.24Å; K299-C303 VanDerWaalsContact O-N 3.09Å; K299-C303 PolarHBondContact O-SG 2.9Å; K299-C303 VanDerWaalsContact O-SG 3.39Å; I300-C303 PolarHBondContact O-N 3.28Å; C303-A306 PolarHBondContact O-N 2.71Å; C303-Q307 PolarHBondContact O-N 3Å |
| 304 | Q | 74.6 | Confident | 72.8 | Confident | 134 Ų | 134 | 114.2 Ų | 114.2 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.7 | -41 | 178.9 | -72.6 | 177.2 | -0.9 | 0 | 0 | 112.2 | I300 G301 Q307 G308 | I300-Q304 WeakPolarHBondContact O-CG 3.5Å; I300-Q304 PolarHBondContact O-N 3.34Å; G301-Q304 PolarHBondContact O-N 3.17Å; Q304-Q307 PolarHBondContact O-N 3.35Å; Q304-G308 PolarHBondContact O-N 3.42Å |
| 305 | N | 67.1 | Low | 70.4 | Confident | 111 Ų | 111 | 113.6 Ų | 113.6 | 59% | 0.594 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.3 | -40.2 | 176.3 | -77.1 | -49.7 | 0 | 0 | 0 | 112.3 | G301 E302 Q307 G308 N309 | G301-N305 PolarHBondContact O-N 2.84Å; G301-N305 VanDerWaalsContact O-N 3.12Å; G301-N305 PolarHBondContact O-ND2 3.44Å; E302-N305 PolarHBondContact O-N 3.33Å; N305-Q307 VanDerWaalsContact C-N 3.29Å; N305-Q307 PolarHBondContact O-N 3Å; N305-G308 PolarHBondContact O-N 2.89Å; N305-N309 VanDerWaalsContact O-CG 3.25Å; N305-N309 PolarHBondContact O-N 2.96Å; N305-N309 VanDerWaalsContact O-N 3.16Å; N305-N309 PolarHBondContact O-ND2 3.27Å; N305-N309 VanDerWaalsContact O-ND2 3.13Å |
| 306 | A | 67 | Low | 67.8 | Low | 67 Ų | 67 | 109.9 Ų | 109.9 | 55% | 0.554 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.5 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E302 C303 | E302-A306 PolarHBondContact O-N 3.02Å; E302-A306 VanDerWaalsContact O-N 3.13Å; C303-A306 PolarHBondContact O-N 2.71Å |
| 307 | Q | 60.2 | Low | 65.3 | Low | 148 Ų | 148 | 116 Ų | 116 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75 | -41.5 | 178.9 | -171.1 | 162.7 | -8.8 | 0 | 0 | 112.9 | C303 Q304 N305 N309 K310 T311 | C303-Q307 PolarHBondContact O-N 3Å; Q304-Q307 PolarHBondContact O-N 3.35Å; N305-Q307 VanDerWaalsContact C-N 3.29Å; N305-Q307 PolarHBondContact O-N 3Å; Q307-N309 VanDerWaalsContact C-N 3.28Å; Q307-N309 PolarHBondContact O-N 3.37Å; Q307-K310 PolarHBondContact O-N 3.05Å; Q307-K310 VanDerWaalsContact O-N 3.15Å; Q307-T311 PolarHBondContact O-N 3.1Å |
| 308 | G | 58 | Low | 62.6 | Low | 35 Ų | 35 | 118.7 Ų | 118.7 | 36% | 0.361 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.2 | -27.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q304 N305 K310 T311 | Q304-G308 PolarHBondContact O-N 3.42Å; N305-G308 PolarHBondContact O-N 2.89Å; G308-K310 VanDerWaalsContact C-N 3.34Å; G308-T311 PolarHBondContact O-OG1 3.49Å |
| 309 | N | 56.1 | Low | 60.5 | Low | 105 Ų | 105 | 119.1 Ų | 119.1 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.7 | -27.5 | 174.4 | -72 | -26.7 | 0 | 0 | 0 | 112.8 | N305 Q307 | N305-N309 VanDerWaalsContact O-CG 3.25Å; N305-N309 PolarHBondContact O-N 2.96Å; N305-N309 VanDerWaalsContact O-N 3.16Å; N305-N309 PolarHBondContact O-ND2 3.27Å; N305-N309 VanDerWaalsContact O-ND2 3.13Å; Q307-N309 VanDerWaalsContact C-N 3.28Å; Q307-N309 PolarHBondContact O-N 3.37Å |
| 310 | K | 54.6 | Low | 58.5 | Low | 144 Ų | 144 | 118.3 Ų | 118.3 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.4 | -45.9 | 179.8 | -170.6 | 175.1 | 178.9 | -179.7 | 0 | 112.2 | Q307 G308 R312 L313 | Q307-K310 PolarHBondContact O-N 3.05Å; Q307-K310 VanDerWaalsContact O-N 3.15Å; G308-K310 VanDerWaalsContact C-N 3.34Å; K310-R312 PolarHBondContact O-N 3.09Å; K310-L313 PolarHBondContact O-N 2.81Å |
| 311 | T | 55.3 | Low | 56.3 | Low | 98 Ų | 98 | 120.9 Ų | 120.9 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.3 | -21 | 179.4 | 38.9 | 0 | 0 | 0 | 0 | 113.9 | Q307 G308 | Q307-T311 PolarHBondContact O-N 3.1Å; G308-T311 PolarHBondContact O-OG1 3.49Å |
| 312 | R | 52.1 | Low | 54.4 | Low | 215 Ų | 215 | 126 Ų | 126 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.5 | -19 | 175.9 | -114.5 | -178.9 | 180 | -171.8 | 0.6 | 114.8 | K310 | K310-R312 PolarHBondContact O-N 3.09Å |
| 313 | L | 52.8 | Low | 52.9 | Low | 144 Ų | 144 | 126.4 Ų | 126.4 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -91.1 | -28.4 | -176.3 | -93.1 | 148.4 | 0 | 0 | 0 | 113.7 | K310 | K310-L313 PolarHBondContact O-N 2.81Å |
| 314 | E | 44.5 | Very low | 51.8 | Low | 148 Ų | 148 | 127 Ų | 127 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -80.3 | -16.9 | -176.6 | -70.5 | 174 | 170.4 | 0 | 0 | 113.6 | S316 | E314-S316 VanDerWaalsContact C-N 3.3Å; E314-S316 PolarHBondContact O-N 2.94Å |
| 315 | S | 45 | Very low | 50.6 | Low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 1.1 | -173.7 | -172.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 316 | S | 41 | Very low | 50 | Low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 5.4 | -158.9 | -159.5 | 0 | 0 | 0 | 0 | 117.4 | E314 | E314-S316 VanDerWaalsContact C-N 3.3Å; E314-S316 PolarHBondContact O-N 2.94Å |
| 317 | Y | 40.3 | Very low | 49.4 | Very low | 210 Ų | 210 | 130.2 Ų | 130.2 | 82% | 0.824 | 67% | 0.665 | S | S | * | * | trans | -138.4 | 100.8 | -174.4 | -82.7 | -87.4 | 0 | 0 | 0 | 114.7 | ||||
| 318 | L | 37.3 | Very low | 49.2 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 90% | 0.895 | 66% | 0.66 | S | S | * | * | 165.6 | 139 | 122.1 | -93.9 | 155.1 | 0 | 0 | 0 | 112.6 | |||||
| 319 | P | 45.6 | Very low | 49.2 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | trans | -113.6 | 143.2 | -177 | 36.9 | -26 | 0 | 0 | 0 | 116.4 | ||||
| 320 | S | 49.5 | Very low | 49.1 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | trans | 74.4 | 157 | 139.2 | -150 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 321 | I | 43.2 | Very low | 49.2 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | trans | 62.2 | 86.7 | 166.9 | -37.3 | -175.5 | 0 | 0 | 0 | 117.6 | ||||
| 322 | K | 43.6 | Very low | 49 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 57% | 0.565 | 68% | 0.675 | S | S | * | * | trans | 173.9 | 60.2 | 140.6 | -98.1 | 175.8 | -176.2 | -168.4 | 0 | 111.3 | R326 | K322-R326 WeakPolarHBondContact O-CB 3.37Å; K322-R326 WeakPolarHBondContact O-CG 3.42Å | ||
| 323 | E | 49.5 | Very low | 49.2 | Very low | 132 Ų | 132 | 128 Ų | 128 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -80.7 | -31.3 | -170.4 | -99.5 | -165.6 | 103.9 | 0 | 0 | 118.4 | K327 | E323-K327 VanDerWaalsContact O-CD 3.23Å; E323-K327 WeakPolarHBondContact O-CD 3.48Å; E323-K327 WeakPolarHBondContact O-CE 3.24Å; E323-K327 WeakPolarHBondContact O-CG 3.42Å; E323-K327 VanDerWaalsContact OE1-CE 3.32Å; E323-K327 WeakPolarHBondContact OE1-CE 3.47Å; E323-K327 IonicContact OE1-NZ 2.65Å; E323-K327 PolarHBondContact OE1-NZ 2.96Å |
| 324 | P | 50.9 | Low | 49.4 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -79.1 | -40.8 | -177.3 | -9.8 | 24.5 | 0 | 0 | 0 | 112.9 | ||
| 325 | E | 48.3 | Very low | 49.9 | Very low | 144 Ų | 144 | 124 Ų | 124 | 67% | 0.673 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -81.8 | -26.8 | -172.9 | -63.4 | 179.9 | 153.4 | 0 | 0 | 113.2 | ||
| 326 | R | 55.3 | Low | 50.5 | Low | 137 Ų | 137 | 126.3 Ų | 126.3 | 52% | 0.517 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.4 | -45.2 | 170.7 | -76.1 | -174.3 | -172.9 | 147.9 | 5.3 | 111.1 | K322 I328 K329 E330 | K322-R326 WeakPolarHBondContact O-CB 3.37Å; K322-R326 WeakPolarHBondContact O-CG 3.42Å; R326-I328 VanDerWaalsContact C-N 3.25Å; R326-I328 PolarHBondContact O-N 3.3Å; R326-I328 VanDerWaalsContact O-N 3.14Å; R326-K329 CarbonylContact O-C 3.56Å; R326-K329 PolarHBondContact O-N 3.31Å; R326-E330 WeakPolarHBondContact O-CB 3.34Å; R326-E330 WeakPolarHBondContact O-CG 3.37Å; R326-E330 PolarHBondContact O-N 3.04Å |
| 327 | K | 54 | Low | 51.2 | Low | 99 Ų | 99 | 125.3 Ų | 125.3 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -55.8 | -36.8 | -177.2 | -72.4 | 174.2 | -168.7 | -179.2 | 0 | 113.3 | E323 E330 L331 | E323-K327 VanDerWaalsContact O-CD 3.23Å; E323-K327 WeakPolarHBondContact O-CD 3.48Å; E323-K327 WeakPolarHBondContact O-CE 3.24Å; E323-K327 WeakPolarHBondContact O-CG 3.42Å; E323-K327 VanDerWaalsContact OE1-CE 3.32Å; E323-K327 WeakPolarHBondContact OE1-CE 3.47Å; E323-K327 IonicContact OE1-NZ 2.65Å; E323-K327 PolarHBondContact OE1-NZ 2.96Å; K327-E330 WeakPolarHBondContact CA-OE2 3.44Å; K327-L331 WeakPolarHBondContact O-CB 3.47Å; K327-L331 VanDerWaalsContact O-CD1 3.27Å; K327-L331 WeakPolarHBondContact O-CD1 3.47Å; K327-L331 PolarHBondContact O-N 2.94Å |
| 328 | I | 56.6 | Low | 52.3 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 60% | 0.595 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.8 | -40.2 | 176.7 | -61.1 | 175.8 | 0 | 0 | 0 | 111.6 | R326 F332 | R326-I328 VanDerWaalsContact C-N 3.25Å; R326-I328 PolarHBondContact O-N 3.3Å; R326-I328 VanDerWaalsContact O-N 3.14Å; I328-F332 WeakPolarHBondContact O-CD2 3.41Å; I328-F332 PolarHBondContact O-N 3.35Å |
| 329 | K | 56.7 | Low | 53.7 | Low | 170 Ų | 170 | 116 Ų | 116 | 74% | 0.739 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71 | -37.7 | 173.7 | -84.8 | -175.4 | 171.8 | -179 | 0 | 112.7 | R326 F332 S333 | R326-K329 CarbonylContact O-C 3.56Å; R326-K329 PolarHBondContact O-N 3.31Å; K329-F332 PolarHBondContact O-N 2.67Å; K329-S333 PolarHBondContact O-N 3.32Å; K329-S333 PolarHBondContact O-OG 3.05Å |
| 330 | E | 55.6 | Low | 54.8 | Low | 97 Ų | 97 | 115.2 Ų | 115.2 | 45% | 0.453 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.1 | -43.8 | 175.3 | -75.6 | 165 | 170.8 | 0 | 0 | 110.9 | R326 K327 F332 S333 V334 | R326-E330 WeakPolarHBondContact O-CB 3.34Å; R326-E330 WeakPolarHBondContact O-CG 3.37Å; R326-E330 PolarHBondContact O-N 3.04Å; K327-E330 WeakPolarHBondContact CA-OE2 3.44Å; E330-F332 VanDerWaalsContact C-N 3.32Å; E330-F332 PolarHBondContact O-N 3.34Å; E330-S333 WeakPolarHBondContact CA-OG 3.46Å; E330-S333 PolarHBondContact O-N 3.48Å; E330-S333 PolarHBondContact O-OG 3.07Å; E330-V334 VanDerWaalsContact O-CB 3.26Å; E330-V334 WeakPolarHBondContact O-CB 3.44Å; E330-V334 WeakPolarHBondContact O-CG2 3.39Å; E330-V334 PolarHBondContact O-N 3.3Å |
| 331 | L | 56.1 | Low | 55.8 | Low | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.2 | -40.1 | 173.1 | -101.1 | 120.4 | 0 | 0 | 0 | 112.5 | K327 M335 | K327-L331 WeakPolarHBondContact O-CB 3.47Å; K327-L331 VanDerWaalsContact O-CD1 3.27Å; K327-L331 WeakPolarHBondContact O-CD1 3.47Å; K327-L331 PolarHBondContact O-N 2.94Å; L331-M335 WeakPolarHBondContact O-CG 3.27Å; L331-M335 PolarHBondContact O-N 2.93Å |
| 332 | F | 52.1 | Low | 57.5 | Low | 151 Ų | 151 | 113.5 Ų | 113.5 | 66% | 0.662 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.9 | -36.7 | 177.1 | -92.4 | -78.8 | 0 | 0 | 0 | 113.4 | I328 K329 E330 Q336 | I328-F332 WeakPolarHBondContact O-CD2 3.41Å; I328-F332 PolarHBondContact O-N 3.35Å; K329-F332 PolarHBondContact O-N 2.67Å; E330-F332 VanDerWaalsContact C-N 3.32Å; E330-F332 PolarHBondContact O-N 3.34Å; F332-Q336 PolarHBondContact O-N 2.95Å |
| 333 | S | 56.3 | Low | 59.3 | Low | 51 Ų | 51 | 114.4 Ų | 114.4 | 36% | 0.357 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.6 | -39.2 | 171.4 | 46.1 | 0 | 0 | 0 | 0 | 112.4 | K329 E330 M335 Q336 D337 | K329-S333 PolarHBondContact O-N 3.32Å; K329-S333 PolarHBondContact O-OG 3.05Å; E330-S333 WeakPolarHBondContact CA-OG 3.46Å; E330-S333 PolarHBondContact O-N 3.48Å; E330-S333 PolarHBondContact O-OG 3.07Å; S333-M335 VanDerWaalsContact C-N 3.31Å; S333-M335 PolarHBondContact O-N 3.47Å; S333-Q336 CarbonylContact O-C 3.6Å; S333-Q336 WeakPolarHBondContact O-CA 3.13Å; S333-Q336 WeakPolarHBondContact O-CB 3.42Å; S333-Q336 PolarHBondContact O-N 3.09Å; S333-D337 PolarHBondContact O-N 3.42Å |
| 334 | V | 56.9 | Low | 60.8 | Low | 84 Ų | 84 | 112.5 Ų | 112.5 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.5 | -36.2 | 176.4 | 165.7 | 0 | 0 | 0 | 0 | 111.7 | E330 Q336 Q338 | E330-V334 VanDerWaalsContact O-CB 3.26Å; E330-V334 WeakPolarHBondContact O-CB 3.44Å; E330-V334 WeakPolarHBondContact O-CG2 3.39Å; E330-V334 PolarHBondContact O-N 3.3Å; V334-Q336 VanDerWaalsContact C-N 3.3Å; V334-Q336 PolarHBondContact O-N 3.23Å; V334-Q338 PolarHBondContact O-N 3.4Å |
| 335 | M | 54.6 | Low | 62.1 | Low | 123 Ų | 123 | 112.7 Ų | 112.7 | 61% | 0.606 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.1 | -27.1 | 171.1 | -75.6 | -174.6 | 69.9 | 0 | 0 | 113.3 | L331 S333 | L331-M335 WeakPolarHBondContact O-CG 3.27Å; L331-M335 PolarHBondContact O-N 2.93Å; S333-M335 VanDerWaalsContact C-N 3.31Å; S333-M335 PolarHBondContact O-N 3.47Å |
| 336 | Q | 56.4 | Low | 63.8 | Low | 162 Ų | 162 | 109.2 Ų | 109.2 | 76% | 0.757 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -84 | -30.4 | 177.7 | -162.8 | 168 | 5.8 | 0 | 0 | 112.4 | F332 S333 V334 | F332-Q336 PolarHBondContact O-N 2.95Å; S333-Q336 CarbonylContact O-C 3.6Å; S333-Q336 WeakPolarHBondContact O-CA 3.13Å; S333-Q336 WeakPolarHBondContact O-CB 3.42Å; S333-Q336 PolarHBondContact O-N 3.09Å; V334-Q336 VanDerWaalsContact C-N 3.3Å; V334-Q336 PolarHBondContact O-N 3.23Å |
| 337 | D | 56.8 | Low | 65.3 | Low | 74 Ų | 74 | 108 Ų | 108 | 40% | 0.396 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -85.5 | -10.4 | 174.5 | -72 | -46.5 | 0 | 0 | 0 | 113.6 | S333 N340 H341 | S333-D337 PolarHBondContact O-N 3.42Å; D337-N340 CarbonylContact O-C 3.6Å; D337-N340 WeakPolarHBondContact O-CA 3.47Å; D337-N340 VanDerWaalsContact O-CB 3.26Å; D337-N340 WeakPolarHBondContact O-CB 3.39Å; D337-N340 PolarHBondContact O-N 2.88Å; D337-H341 PolarHBondContact O-CD2 2.85Å; D337-H341 PolarHBondContact O-N 3.37Å |
| 338 | Q | 61.9 | Low | 66.9 | Low | 112 Ų | 112 | 107.7 Ų | 107.7 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -46 | -49.2 | 177.7 | -173 | 172 | -11.4 | 0 | 0 | 114.9 | V334 N340 H341 E342 | V334-Q338 PolarHBondContact O-N 3.4Å; Q338-N340 PolarHBondContact O-N 2.84Å; Q338-H341 PolarHBondContact O-N 2.95Å; Q338-E342 WeakPolarHBondContact O-CB 3.48Å; Q338-E342 PolarHBondContact O-N 2.85Å |
| 339 | P | 68.4 | Low | 68.4 | Low | 75 Ų | 75 | 109.5 Ų | 109.5 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.3 | -14.7 | 176.9 | 29 | -36.7 | 0 | 0 | 0 | 114 | K343 | P339-K343 WeakPolarHBondContact O-CD 3.42Å; P339-K343 VanDerWaalsContact O-CG 3.29Å; P339-K343 WeakPolarHBondContact O-CG 3.44Å; P339-K343 PolarHBondContact O-N 3.47Å |
| 340 | N | 68.9 | Low | 69.8 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -85.2 | -42.9 | 173.7 | -155.4 | 25.2 | 0 | 0 | 0 | 110.4 | D337 Q338 E342 K343 E344 | D337-N340 CarbonylContact O-C 3.6Å; D337-N340 WeakPolarHBondContact O-CA 3.47Å; D337-N340 VanDerWaalsContact O-CB 3.26Å; D337-N340 WeakPolarHBondContact O-CB 3.39Å; D337-N340 PolarHBondContact O-N 2.88Å; Q338-N340 PolarHBondContact O-N 2.84Å; N340-E342 VanDerWaalsContact C-N 3.31Å; N340-E342 PolarHBondContact O-N 3.27Å; N340-K343 PolarHBondContact O-N 3.27Å; N340-E344 PolarHBondContact O-N 3.37Å |
| 341 | H | 69.8 | Low | 71.4 | Confident | 101 Ų | 101 | 105.1 Ų | 105.1 | 47% | 0.468 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 170.3 | -66.9 | -51.7 | 0 | 0 | 0 | 112.6 | D337 Q338 E344 L345 | D337-H341 PolarHBondContact O-CD2 2.85Å; D337-H341 PolarHBondContact O-N 3.37Å; Q338-H341 PolarHBondContact O-N 2.95Å; H341-E344 PolarHBondContact O-N 3.1Å; H341-L345 WeakPolarHBondContact O-CB 3.42Å; H341-L345 WeakPolarHBondContact O-CG 3.45Å; H341-L345 PolarHBondContact O-N 3.36Å |
| 342 | E | 77.8 | Confident | 72.9 | Confident | 115 Ų | 115 | 105.4 Ų | 105.4 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.5 | -33.9 | 176.1 | -170.9 | 163.6 | -163.4 | 0 | 0 | 112.4 | Q338 N340 N346 | Q338-E342 WeakPolarHBondContact O-CB 3.48Å; Q338-E342 PolarHBondContact O-N 2.85Å; N340-E342 VanDerWaalsContact C-N 3.31Å; N340-E342 PolarHBondContact O-N 3.27Å; E342-N346 WeakPolarHBondContact O-CB 3.29Å; E342-N346 VanDerWaalsContact O-CG 3.28Å; E342-N346 PolarHBondContact O-N 2.86Å; E342-N346 PolarHBondContact O-ND2 2.9Å |
| 343 | K | 81.3 | Confident | 74.6 | Confident | 149 Ų | 149 | 103.2 Ų | 103.2 | 65% | 0.648 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.9 | -44.7 | 170.3 | -77.3 | 172.2 | -177.9 | 177.8 | 0 | 112.3 | P339 N340 N346 K347 | P339-K343 WeakPolarHBondContact O-CD 3.42Å; P339-K343 VanDerWaalsContact O-CG 3.29Å; P339-K343 WeakPolarHBondContact O-CG 3.44Å; P339-K343 PolarHBondContact O-N 3.47Å; N340-K343 PolarHBondContact O-N 3.27Å; K343-N346 PolarHBondContact O-N 2.91Å; K343-K347 VanDerWaalsContact O-CB 3.25Å; K343-K347 WeakPolarHBondContact O-CB 3.32Å; K343-K347 PolarHBondContact O-N 3.31Å |
| 344 | E | 81.8 | Confident | 76.1 | Confident | 91 Ų | 91 | 107.2 Ų | 107.2 | 43% | 0.425 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 175.4 | -77.8 | -79.8 | 111 | 0 | 0 | 111.4 | N340 H341 K347 I348 | N340-E344 PolarHBondContact O-N 3.37Å; H341-E344 PolarHBondContact O-N 3.1Å; E344-K347 PolarHBondContact O-N 2.92Å; E344-K347 IonicContact OE1-NZ 3.12Å; E344-K347 PolarHBondContact OE1-NZ 2.82Å; E344-K347 VanDerWaalsContact OE1-NZ 3.12Å; E344-I348 WeakPolarHBondContact O-CB 3.4Å; E344-I348 VanDerWaalsContact O-CG1 3.26Å; E344-I348 WeakPolarHBondContact O-CG1 3.27Å; E344-I348 PolarHBondContact O-N 3.48Å |
| 345 | L | 78.6 | Confident | 77.6 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 55% | 0.55 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 174.5 | -79.7 | 169.5 | 0 | 0 | 0 | 112.7 | H341 I348 R349 | H341-L345 WeakPolarHBondContact O-CB 3.42Å; H341-L345 WeakPolarHBondContact O-CG 3.45Å; H341-L345 PolarHBondContact O-N 3.36Å; L345-I348 PolarHBondContact O-N 2.87Å; L345-R349 VanDerWaalsContact O-CB 3.28Å; L345-R349 WeakPolarHBondContact O-CB 3.38Å; L345-R349 PolarHBondContact O-N 3.45Å |
| 346 | N | 83.3 | Confident | 79.1 | Confident | 71 Ų | 71 | 107.6 Ų | 107.6 | 38% | 0.38 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.7 | -36.2 | 176.1 | -75.4 | -37.7 | 0 | 0 | 0 | 111.8 | E342 K343 R349 S350 | E342-N346 WeakPolarHBondContact O-CB 3.29Å; E342-N346 VanDerWaalsContact O-CG 3.28Å; E342-N346 PolarHBondContact O-N 2.86Å; E342-N346 PolarHBondContact O-ND2 2.9Å; K343-N346 PolarHBondContact O-N 2.91Å; N346-R349 PolarHBondContact O-N 3.26Å; N346-S350 WeakPolarHBondContact O-CB 3.29Å; N346-S350 PolarHBondContact O-N 2.9Å; N346-S350 PolarHBondContact O-OG 3Å |
| 347 | K | 88.1 | Confident | 80.7 | Confident | 111 Ų | 111 | 105.8 Ų | 105.8 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 173.9 | -178.5 | -177.6 | 170.3 | -163.7 | 0 | 112.2 | K343 E344 R349 S350 Q351 | K343-K347 VanDerWaalsContact O-CB 3.25Å; K343-K347 WeakPolarHBondContact O-CB 3.32Å; K343-K347 PolarHBondContact O-N 3.31Å; E344-K347 PolarHBondContact O-N 2.92Å; E344-K347 IonicContact OE1-NZ 3.12Å; E344-K347 PolarHBondContact OE1-NZ 2.82Å; E344-K347 VanDerWaalsContact OE1-NZ 3.12Å; K347-R349 VanDerWaalsContact C-N 3.34Å; K347-S350 PolarHBondContact O-N 3.35Å; K347-Q351 WeakPolarHBondContact O-CB 3.41Å; K347-Q351 VanDerWaalsContact O-CG 3.31Å; K347-Q351 WeakPolarHBondContact O-CG 3.47Å; K347-Q351 PolarHBondContact O-N 3.31Å |
| 348 | I | 85.9 | Confident | 82.2 | Confident | 92 Ų | 92 | 108.9 Ų | 108.9 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 172.8 | -69.3 | 164 | 0 | 0 | 0 | 110.1 | E344 L345 Q351 L352 | E344-I348 WeakPolarHBondContact O-CB 3.4Å; E344-I348 VanDerWaalsContact O-CG1 3.26Å; E344-I348 WeakPolarHBondContact O-CG1 3.27Å; E344-I348 PolarHBondContact O-N 3.48Å; L345-I348 PolarHBondContact O-N 2.87Å; I348-Q351 PolarHBondContact O-N 3.24Å; I348-L352 WeakPolarHBondContact O-CB 3.34Å; I348-L352 PolarHBondContact O-N 3.01Å |
| 349 | R | 89.2 | Confident | 83.7 | Confident | 154 Ų | 154 | 109.3 Ų | 109.3 | 58% | 0.581 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 177.3 | -171.2 | -179.5 | -65.9 | 158 | -0.2 | 111.8 | L345 N346 K347 Q351 L352 Q353 | L345-R349 VanDerWaalsContact O-CB 3.28Å; L345-R349 WeakPolarHBondContact O-CB 3.38Å; L345-R349 PolarHBondContact O-N 3.45Å; N346-R349 PolarHBondContact O-N 3.26Å; K347-R349 VanDerWaalsContact C-N 3.34Å; R349-Q351 PolarHBondContact O-N 3.09Å; R349-L352 WeakPolarHBondContact O-CB 3.36Å; R349-L352 PolarHBondContact O-N 3.37Å; R349-Q353 WeakPolarHBondContact O-CB 3.41Å; R349-Q353 PolarHBondContact O-N 2.66Å |
| 350 | S | 85.5 | Confident | 84.7 | Confident | 73 Ų | 73 | 109.5 Ų | 109.5 | 51% | 0.51 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | N346 K347 Q353 Q354 | N346-S350 WeakPolarHBondContact O-CB 3.29Å; N346-S350 PolarHBondContact O-N 2.9Å; N346-S350 PolarHBondContact O-OG 3Å; K347-S350 PolarHBondContact O-N 3.35Å; S350-Q353 PolarHBondContact O-N 2.78Å; S350-Q354 WeakPolarHBondContact O-CB 3.42Å; S350-Q354 PolarHBondContact O-N 3.44Å |
| 351 | Q | 89.9 | Confident | 85.8 | Confident | 103 Ų | 103 | 107.1 Ų | 107.1 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 174.3 | -75.5 | 175.9 | -20.6 | 0 | 0 | 112 | K347 I348 R349 Q353 Q354 V355 | K347-Q351 WeakPolarHBondContact O-CB 3.41Å; K347-Q351 VanDerWaalsContact O-CG 3.31Å; K347-Q351 WeakPolarHBondContact O-CG 3.47Å; K347-Q351 PolarHBondContact O-N 3.31Å; I348-Q351 PolarHBondContact O-N 3.24Å; R349-Q351 PolarHBondContact O-N 3.09Å; Q351-Q353 VanDerWaalsContact C-N 3.34Å; Q351-Q354 PolarHBondContact O-N 2.92Å; Q351-V355 WeakPolarHBondContact O-CG2 3.48Å; Q351-V355 PolarHBondContact O-N 3.46Å |
| 352 | L | 87.2 | Confident | 86.9 | Confident | 119 Ų | 119 | 104.9 Ų | 104.9 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.9 | -46.4 | 175.9 | -151.3 | 86.1 | 0 | 0 | 0 | 110.7 | I348 R349 Q354 V355 E356 | I348-L352 WeakPolarHBondContact O-CB 3.34Å; I348-L352 PolarHBondContact O-N 3.01Å; R349-L352 WeakPolarHBondContact O-CB 3.36Å; R349-L352 PolarHBondContact O-N 3.37Å; L352-Q354 PolarHBondContact O-N 3.44Å; L352-V355 PolarHBondContact O-N 2.88Å; L352-E356 VanDerWaalsContact O-CB 3.32Å; L352-E356 WeakPolarHBondContact O-CB 3.44Å; L352-E356 PolarHBondContact O-N 3.02Å |
| 353 | Q | 87.4 | Confident | 87.6 | Confident | 105 Ų | 105 | 103.3 Ų | 103.3 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 180 | -153.8 | 166.6 | 7.1 | 0 | 0 | 111.8 | R349 S350 Q351 E356 E357 | R349-Q353 WeakPolarHBondContact O-CB 3.41Å; R349-Q353 PolarHBondContact O-N 2.66Å; S350-Q353 PolarHBondContact O-N 2.78Å; Q351-Q353 VanDerWaalsContact C-N 3.34Å; Q353-E356 PolarHBondContact O-N 3.48Å; Q353-E357 WeakPolarHBondContact O-CB 3.07Å; Q353-E357 WeakPolarHBondContact O-CG 3.29Å; Q353-E357 PolarHBondContact O-N 2.84Å |
| 354 | Q | 88.6 | Confident | 88.2 | Confident | 136 Ų | 136 | 100.5 Ų | 100.5 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 174.7 | -172 | 176.8 | 20.7 | 0 | 0 | 112.8 | S350 Q351 L352 Y358 | S350-Q354 WeakPolarHBondContact O-CB 3.42Å; S350-Q354 PolarHBondContact O-N 3.44Å; Q351-Q354 PolarHBondContact O-N 2.92Å; L352-Q354 PolarHBondContact O-N 3.44Å; Q354-Y358 WeakPolarHBondContact O-CB 3.44Å; Q354-Y358 PolarHBondContact O-N 3.24Å |
| 355 | V | 88.2 | Confident | 88.9 | Confident | 97 Ų | 97 | 102.6 Ų | 102.6 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.9 | -36.6 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | Q351 L352 Y358 H359 | Q351-V355 WeakPolarHBondContact O-CG2 3.48Å; Q351-V355 PolarHBondContact O-N 3.46Å; L352-V355 PolarHBondContact O-N 2.88Å; V355-Y358 PolarHBondContact O-N 3.38Å; V355-H359 VanDerWaalsContact O-CB 3.31Å; V355-H359 WeakPolarHBondContact O-CB 3.36Å; V355-H359 PolarHBondContact O-N 3.32Å |
| 356 | E | 86.4 | Confident | 89.6 | Confident | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 176.7 | -171.2 | 168.4 | -146.5 | 0 | 0 | 111.7 | L352 Q353 H359 N360 | L352-E356 VanDerWaalsContact O-CB 3.32Å; L352-E356 WeakPolarHBondContact O-CB 3.44Å; L352-E356 PolarHBondContact O-N 3.02Å; Q353-E356 PolarHBondContact O-N 3.48Å; E356-H359 PolarHBondContact O-N 2.86Å; E356-N360 WeakPolarHBondContact O-CB 3.48Å; E356-N360 PolarHBondContact O-N 3.21Å; E356-N360 PolarHBondContact O-ND2 3.3Å |
| 357 | E | 90.1 | Very high | 90.3 | Very high | 124 Ų | 124 | 104.4 Ų | 104.4 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.2 | -45.5 | 171 | -76 | 172.3 | -173.1 | 0 | 0 | 111.8 | Q353 N360 S361 | Q353-E357 WeakPolarHBondContact O-CB 3.07Å; Q353-E357 WeakPolarHBondContact O-CG 3.29Å; Q353-E357 PolarHBondContact O-N 2.84Å; E357-N360 PolarHBondContact O-N 3.4Å; E357-S361 PolarHBondContact O-N 3.41Å |
| 358 | Y | 88.9 | Confident | 90.6 | Very high | 139 Ų | 139 | 103.1 Ų | 103.1 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 175.8 | 176.6 | -111.7 | 0 | 0 | 0 | 111.6 | Q354 V355 N360 S361 E362 | Q354-Y358 WeakPolarHBondContact O-CB 3.44Å; Q354-Y358 PolarHBondContact O-N 3.24Å; V355-Y358 PolarHBondContact O-N 3.38Å; Y358-N360 PolarHBondContact O-N 3.31Å; Y358-S361 WeakPolarHBondContact O-CB 3.36Å; Y358-S361 PolarHBondContact O-N 2.76Å; Y358-S361 VanDerWaalsContact O-N 3.1Å; Y358-S361 PolarHBondContact O-OG 3.42Å; Y358-E362 HydrophobicContact CE1-CG 4.14Å; Y358-E362 HydrophobicContact CE2-CG 4.02Å; Y358-E362 VanDerWaalsContact CE2-OE1 3.23Å; Y358-E362 WeakPolarHBondContact CE2-OE1 3.28Å; Y358-E362 PolarHBondContact O-N 3.4Å; Y358-E362 PolarHBondContact OH-OE1 3.36Å |
| 359 | H | 92.1 | Very high | 91.1 | Very high | 121 Ų | 121 | 104.5 Ų | 104.5 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 177.9 | -174.3 | 57 | 0 | 0 | 0 | 112.3 | V355 E356 S361 E362 Q363 | V355-H359 VanDerWaalsContact O-CB 3.31Å; V355-H359 WeakPolarHBondContact O-CB 3.36Å; V355-H359 PolarHBondContact O-N 3.32Å; E356-H359 PolarHBondContact O-N 2.86Å; H359-S361 VanDerWaalsContact C-N 3.29Å; H359-S361 PolarHBondContact O-N 2.92Å; H359-E362 PolarHBondContact O-N 2.59Å; H359-Q363 WeakPolarHBondContact O-CB 3.31Å; H359-Q363 PolarHBondContact O-N 3.07Å |
| 360 | N | 88.9 | Confident | 91.4 | Very high | 80 Ų | 80 | 102 Ų | 102 | 43% | 0.428 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 172.5 | -79 | -57.4 | 0 | 0 | 0 | 111.6 | E356 E357 Y358 Q363 E364 | E356-N360 WeakPolarHBondContact O-CB 3.48Å; E356-N360 PolarHBondContact O-N 3.21Å; E356-N360 PolarHBondContact O-ND2 3.3Å; E357-N360 PolarHBondContact O-N 3.4Å; Y358-N360 PolarHBondContact O-N 3.31Å; N360-Q363 PolarHBondContact O-N 2.89Å; N360-E364 WeakPolarHBondContact O-CB 3.42Å; N360-E364 PolarHBondContact O-N 3.44Å |
| 361 | S | 92.3 | Very high | 91.8 | Very high | 47 Ų | 47 | 101.9 Ų | 101.9 | 33% | 0.329 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67 | -37.5 | 177 | 82.4 | 0 | 0 | 0 | 0 | 113.4 | E357 Y358 H359 R365 | E357-S361 PolarHBondContact O-N 3.41Å; Y358-S361 WeakPolarHBondContact O-CB 3.36Å; Y358-S361 PolarHBondContact O-N 2.76Å; Y358-S361 VanDerWaalsContact O-N 3.1Å; Y358-S361 PolarHBondContact O-OG 3.42Å; H359-S361 VanDerWaalsContact C-N 3.29Å; H359-S361 PolarHBondContact O-N 2.92Å; S361-R365 PolarHBondContact O-N 2.99Å |
| 362 | E | 93.5 | Very high | 92.1 | Very high | 54 Ų | 54 | 102.1 Ų | 102.1 | 25% | 0.252 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 173.1 | -65.6 | -63.1 | 175.2 | 0 | 0 | 111.5 | Y358 H359 E364 R365 M366 | Y358-E362 HydrophobicContact CE1-CG 4.14Å; Y358-E362 HydrophobicContact CE2-CG 4.02Å; Y358-E362 VanDerWaalsContact CE2-OE1 3.23Å; Y358-E362 WeakPolarHBondContact CE2-OE1 3.28Å; Y358-E362 PolarHBondContact O-N 3.4Å; Y358-E362 PolarHBondContact OH-OE1 3.36Å; H359-E362 PolarHBondContact O-N 2.59Å; E362-E364 VanDerWaalsContact C-N 3.27Å; E362-E364 PolarHBondContact O-N 3.44Å; E362-R365 WeakPolarHBondContact O-CB 3.23Å; E362-R365 PolarHBondContact O-N 3.45Å; E362-R365 IonicContact OE1-CZ 3.74Å; E362-R365 IonicContact OE1-NE 3.96Å; E362-R365 IonicContact OE1-NH2 2.73Å; E362-R365 PolarHBondContact OE1-NH2 3.2Å; E362-R365 IonicContact OE2-CZ 3.27Å; E362-R365 VanDerWaalsContact OE2-CZ 3.27Å; E362-R365 IonicContact OE2-NE 2.79Å; E362-R365 PolarHBondContact OE2-NE 3.35Å; E362-R365 IonicContact OE2-NH2 3Å; E362-R365 PolarHBondContact OE2-NH2 3.49Å; E362-M366 WeakPolarHBondContact O-CG 3.36Å; E362-M366 PolarHBondContact O-N 2.95Å |
| 363 | Q | 93.1 | Very high | 92.6 | Very high | 81 Ų | 81 | 101.1 Ų | 101.1 | 38% | 0.379 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | 177.6 | -156.8 | -168.6 | 39 | 0 | 0 | 111.7 | H359 N360 R367 | H359-Q363 WeakPolarHBondContact O-CB 3.31Å; H359-Q363 PolarHBondContact O-N 3.07Å; N360-Q363 PolarHBondContact O-N 2.89Å; Q363-R367 WeakPolarHBondContact O-CG 3.38Å; Q363-R367 PolarHBondContact O-N 3.28Å |
| 364 | E | 93.9 | Very high | 92.9 | Very high | 90 Ų | 90 | 100.3 Ų | 100.3 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.9 | -40.2 | 173.8 | -159.6 | 64.2 | -167.8 | 0 | 0 | 112.1 | N360 E362 M366 R367 N368 | N360-E364 WeakPolarHBondContact O-CB 3.42Å; N360-E364 PolarHBondContact O-N 3.44Å; E362-E364 VanDerWaalsContact C-N 3.27Å; E362-E364 PolarHBondContact O-N 3.44Å; E364-M366 VanDerWaalsContact C-N 3.33Å; E364-M366 PolarHBondContact O-N 3.13Å; E364-R367 PolarHBondContact O-N 3.16Å; E364-R367 IonicContact OE2-CZ 3.68Å; E364-R367 IonicContact OE2-NE 3.41Å; E364-R367 PolarHBondContact OE2-NE 3.25Å; E364-R367 IonicContact OE2-NH2 2.87Å; E364-R367 PolarHBondContact OE2-NH2 3.42Å; E364-N368 VanDerWaalsContact O-CG 3.31Å; E364-N368 PolarHBondContact O-N 2.92Å; E364-N368 PolarHBondContact O-ND2 2.88Å |
| 365 | R | 95.2 | Very high | 93.2 | Very high | 135 Ų | 135 | 100.7 Ų | 100.7 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -54.8 | -49.3 | 169.6 | -86.1 | -165.6 | -82.5 | -90.1 | 9.1 | 111.5 | S361 E362 R367 N368 E369 | S361-R365 PolarHBondContact O-N 2.99Å; E362-R365 WeakPolarHBondContact O-CB 3.23Å; E362-R365 PolarHBondContact O-N 3.45Å; E362-R365 IonicContact OE1-CZ 3.74Å; E362-R365 IonicContact OE1-NE 3.96Å; E362-R365 IonicContact OE1-NH2 2.73Å; E362-R365 PolarHBondContact OE1-NH2 3.2Å; E362-R365 IonicContact OE2-CZ 3.27Å; E362-R365 VanDerWaalsContact OE2-CZ 3.27Å; E362-R365 IonicContact OE2-NE 2.79Å; E362-R365 PolarHBondContact OE2-NE 3.35Å; E362-R365 IonicContact OE2-NH2 3Å; E362-R365 PolarHBondContact OE2-NH2 3.49Å; R365-R367 VanDerWaalsContact C-N 3.35Å; R365-R367 PolarHBondContact O-N 2.92Å; R365-N368 PolarHBondContact O-N 3.04Å; R365-E369 PolarHBondContact O-N 2.92Å |
| 366 | M | 94.9 | Very high | 93.6 | Very high | 112 Ų | 112 | 100.8 Ų | 100.8 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.7 | -37.8 | 177.5 | -70.7 | 179.6 | 65.3 | 0 | 0 | 112.7 | E362 E364 I370 | E362-M366 WeakPolarHBondContact O-CG 3.36Å; E362-M366 PolarHBondContact O-N 2.95Å; E364-M366 VanDerWaalsContact C-N 3.33Å; E364-M366 PolarHBondContact O-N 3.13Å; M366-I370 WeakPolarHBondContact O-CB 3.42Å; M366-I370 WeakPolarHBondContact O-CD1 3.49Å; M366-I370 WeakPolarHBondContact O-CG1 3.35Å; M366-I370 PolarHBondContact O-N 3.33Å |
| 367 | R | 96.2 | Very high | 94.1 | Very high | 102 Ų | 102 | 100 Ų | 100 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.3 | -84.8 | -171.9 | -76.3 | -93.8 | -3.7 | 112.1 | Q363 E364 R365 S371 | Q363-R367 WeakPolarHBondContact O-CG 3.38Å; Q363-R367 PolarHBondContact O-N 3.28Å; E364-R367 PolarHBondContact O-N 3.16Å; E364-R367 IonicContact OE2-CZ 3.68Å; E364-R367 IonicContact OE2-NE 3.41Å; E364-R367 PolarHBondContact OE2-NE 3.25Å; E364-R367 IonicContact OE2-NH2 2.87Å; E364-R367 PolarHBondContact OE2-NH2 3.42Å; R365-R367 VanDerWaalsContact C-N 3.35Å; R365-R367 PolarHBondContact O-N 2.92Å; R367-S371 PolarHBondContact O-N 3.44Å; R367-S371 PolarHBondContact O-OG 2.88Å |
| 368 | N | 95.1 | Very high | 94.4 | Very high | 84 Ų | 84 | 99.2 Ų | 99.2 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -47.8 | 176.8 | -65.7 | -25.2 | 0 | 0 | 0 | 111 | E364 R365 I370 S371 D372 | E364-N368 VanDerWaalsContact O-CG 3.31Å; E364-N368 PolarHBondContact O-N 2.92Å; E364-N368 PolarHBondContact O-ND2 2.88Å; R365-N368 PolarHBondContact O-N 3.04Å; N368-I370 VanDerWaalsContact C-N 3.33Å; N368-I370 PolarHBondContact O-N 3.47Å; N368-S371 WeakPolarHBondContact O-CA 3.48Å; N368-S371 WeakPolarHBondContact O-CB 3.37Å; N368-S371 PolarHBondContact O-N 3.28Å; N368-D372 PolarHBondContact O-N 3.17Å |
| 369 | E | 96.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 98 Ų | 98 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.7 | -40.1 | 176.9 | -173.2 | 176.4 | -168.9 | 0 | 0 | 112.4 | R365 S371 D372 L373 | R365-E369 PolarHBondContact O-N 2.92Å; E369-S371 VanDerWaalsContact C-N 3.31Å; E369-S371 PolarHBondContact O-N 2.92Å; E369-D372 PolarHBondContact O-N 3.47Å; E369-L373 HydrophobicContact CG-CD1 4.11Å; E369-L373 WeakPolarHBondContact O-CB 3.43Å; E369-L373 VanDerWaalsContact O-CG 3.23Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 3.49Å |
| 370 | I | 94.3 | Very high | 95 | Very high | 101 Ų | 101 | 96.9 Ų | 96.9 | 52% | 0.518 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 173.2 | -71.5 | 165.6 | 0 | 0 | 0 | 111.3 | M366 N368 T374 | M366-I370 WeakPolarHBondContact O-CB 3.42Å; M366-I370 WeakPolarHBondContact O-CD1 3.49Å; M366-I370 WeakPolarHBondContact O-CG1 3.35Å; M366-I370 PolarHBondContact O-N 3.33Å; N368-I370 VanDerWaalsContact C-N 3.33Å; N368-I370 PolarHBondContact O-N 3.47Å; I370-T374 VanDerWaalsContact O-CB 3.32Å; I370-T374 WeakPolarHBondContact O-CB 3.4Å; I370-T374 PolarHBondContact O-N 2.89Å; I370-T374 PolarHBondContact O-OG1 3.32Å |
| 371 | S | 95.7 | Very high | 95.3 | Very high | 70 Ų | 70 | 98.1 Ų | 98.1 | 49% | 0.49 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.2 | -47.5 | 178 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | R367 N368 E369 L373 T374 E375 | R367-S371 PolarHBondContact O-N 3.44Å; R367-S371 PolarHBondContact O-OG 2.88Å; N368-S371 WeakPolarHBondContact O-CA 3.48Å; N368-S371 WeakPolarHBondContact O-CB 3.37Å; N368-S371 PolarHBondContact O-N 3.28Å; E369-S371 VanDerWaalsContact C-N 3.31Å; E369-S371 PolarHBondContact O-N 2.92Å; S371-L373 PolarHBondContact O-N 3.01Å; S371-T374 WeakPolarHBondContact O-CB 3.38Å; S371-T374 PolarHBondContact O-N 2.74Å; S371-T374 VanDerWaalsContact O-N 3.11Å; S371-E375 PolarHBondContact O-N 2.93Å |
| 372 | D | 96.1 | Very high | 95.5 | Very high | 108 Ų | 108 | 99.5 Ų | 99.5 | 58% | 0.578 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.2 | -46.2 | 177.2 | -65.1 | -17.6 | 0 | 0 | 0 | 111.3 | N368 E369 T374 E375 E376 | N368-D372 PolarHBondContact O-N 3.17Å; E369-D372 PolarHBondContact O-N 3.47Å; D372-T374 VanDerWaalsContact C-N 3.3Å; D372-T374 PolarHBondContact O-N 2.74Å; D372-E375 PolarHBondContact O-N 2.88Å; D372-E376 WeakPolarHBondContact O-CB 3.17Å; D372-E376 PolarHBondContact O-N 2.9Å |
| 373 | L | 97.1 | Very high | 95.5 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -32.3 | 175.9 | -71.9 | 170.9 | 0 | 0 | 0 | 112.8 | E369 S371 L377 | E369-L373 HydrophobicContact CG-CD1 4.11Å; E369-L373 WeakPolarHBondContact O-CB 3.43Å; E369-L373 VanDerWaalsContact O-CG 3.23Å; E369-L373 WeakPolarHBondContact O-CG 3.45Å; E369-L373 PolarHBondContact O-N 3.49Å; S371-L373 PolarHBondContact O-N 3.01Å; L373-L377 VanDerWaalsContact O-CB 3.29Å; L373-L377 WeakPolarHBondContact O-CB 3.43Å; L373-L377 PolarHBondContact O-N 3.44Å |
| 374 | T | 94.1 | Very high | 95.7 | Very high | 88 Ų | 88 | 101.6 Ų | 101.6 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.7 | -39.9 | 176.6 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | I370 S371 D372 H378 | I370-T374 VanDerWaalsContact O-CB 3.32Å; I370-T374 WeakPolarHBondContact O-CB 3.4Å; I370-T374 PolarHBondContact O-N 2.89Å; I370-T374 PolarHBondContact O-OG1 3.32Å; S371-T374 WeakPolarHBondContact O-CB 3.38Å; S371-T374 PolarHBondContact O-N 2.74Å; S371-T374 VanDerWaalsContact O-N 3.11Å; D372-T374 VanDerWaalsContact C-N 3.3Å; D372-T374 PolarHBondContact O-N 2.74Å; T374-H378 PolarHBondContact O-N 3.15Å |
| 375 | E | 95.3 | Very high | 95.6 | Very high | 145 Ų | 145 | 100.2 Ų | 100.2 | 68% | 0.678 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.4 | -43.5 | 174.5 | -173.7 | 168.8 | -169.6 | 0 | 0 | 111.5 | S371 D372 L377 H378 Q379 | S371-E375 PolarHBondContact O-N 2.93Å; D372-E375 PolarHBondContact O-N 2.88Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.41Å; E375-H378 PolarHBondContact O-N 2.99Å; E375-Q379 WeakPolarHBondContact O-CB 3.46Å; E375-Q379 PolarHBondContact O-N 3.14Å |
| 376 | E | 96.6 | Very high | 95.6 | Very high | 99 Ų | 99 | 97.1 Ų | 97.1 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 176.3 | -157.8 | -152.8 | 173.8 | 0 | 0 | 111.9 | D372 Q379 K380 | D372-E376 WeakPolarHBondContact O-CB 3.17Å; D372-E376 PolarHBondContact O-N 2.9Å; E376-Q379 PolarHBondContact O-N 3.36Å; E376-K380 VanDerWaalsContact CD-CE 3.49Å; E376-K380 WeakPolarHBondContact O-CG 3.38Å; E376-K380 PolarHBondContact O-N 2.88Å; E376-K380 WeakPolarHBondContact OE1-CE 3.49Å; E376-K380 IonicContact OE1-NZ 2.74Å; E376-K380 PolarHBondContact OE1-NZ 3.29Å; E376-K380 IonicContact OE2-NZ 2.76Å; E376-K380 PolarHBondContact OE2-NZ 3.41Å |
| 377 | L | 96.4 | Very high | 95.5 | Very high | 100 Ų | 100 | 96 Ų | 96 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 173.9 | 179.2 | 63 | 0 | 0 | 0 | 111.1 | L373 E375 Q379 K380 E381 | L373-L377 VanDerWaalsContact O-CB 3.29Å; L373-L377 WeakPolarHBondContact O-CB 3.43Å; L373-L377 PolarHBondContact O-N 3.44Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.41Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 2.9Å; L377-K380 WeakPolarHBondContact O-CB 3.35Å; L377-K380 PolarHBondContact O-N 2.91Å; L377-K380 VanDerWaalsContact O-N 3.15Å; L377-E381 WeakPolarHBondContact O-CG 3.44Å; L377-E381 PolarHBondContact O-N 2.9Å |
| 378 | H | 96.5 | Very high | 95.3 | Very high | 107 Ų | 107 | 95.2 Ų | 95.2 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 179 | -169.3 | 52 | 0 | 0 | 0 | 112.2 | T374 E375 K380 E381 I382 | T374-H378 PolarHBondContact O-N 3.15Å; E375-H378 PolarHBondContact O-N 2.99Å; H378-K380 VanDerWaalsContact C-N 3.32Å; H378-K380 PolarHBondContact O-N 2.82Å; H378-E381 IonicContact ND1-OE2 3.79Å; H378-E381 PolarHBondContact ND1-OE2 2.98Å; H378-E381 WeakPolarHBondContact O-CB 3.27Å; H378-E381 PolarHBondContact O-N 2.98Å; H378-I382 WeakPolarHBondContact O-CG1 3.44Å; H378-I382 PolarHBondContact O-N 2.91Å |
| 379 | Q | 96 | Very high | 95.3 | Very high | 113 Ų | 113 | 98.6 Ų | 98.6 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | 175.5 | -172.6 | 58.5 | 26.6 | 0 | 0 | 112.3 | E375 E376 L377 T383 | E375-Q379 WeakPolarHBondContact O-CB 3.46Å; E375-Q379 PolarHBondContact O-N 3.14Å; E376-Q379 PolarHBondContact O-N 3.36Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 2.9Å; Q379-T383 WeakPolarHBondContact O-CB 3.34Å; Q379-T383 PolarHBondContact O-N 2.97Å; Q379-T383 PolarHBondContact O-OG1 2.89Å |
| 380 | K | 96.9 | Very high | 95.2 | Very high | 99 Ų | 99 | 99.2 Ų | 99.2 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 171 | -74.4 | 166.3 | -176.9 | 163.8 | 0 | 111.5 | E376 L377 H378 T383 I384 | E376-K380 VanDerWaalsContact CD-CE 3.49Å; E376-K380 WeakPolarHBondContact O-CG 3.38Å; E376-K380 PolarHBondContact O-N 2.88Å; E376-K380 WeakPolarHBondContact OE1-CE 3.49Å; E376-K380 IonicContact OE1-NZ 2.74Å; E376-K380 PolarHBondContact OE1-NZ 3.29Å; E376-K380 IonicContact OE2-NZ 2.76Å; E376-K380 PolarHBondContact OE2-NZ 3.41Å; L377-K380 WeakPolarHBondContact O-CB 3.35Å; L377-K380 PolarHBondContact O-N 2.91Å; L377-K380 VanDerWaalsContact O-N 3.15Å; H378-K380 VanDerWaalsContact C-N 3.32Å; H378-K380 PolarHBondContact O-N 2.82Å; K380-T383 WeakPolarHBondContact O-CB 3.45Å; K380-T383 PolarHBondContact O-N 2.84Å; K380-I384 WeakPolarHBondContact O-CB 3.39Å; K380-I384 VanDerWaalsContact O-CG1 3.27Å; K380-I384 WeakPolarHBondContact O-CG1 3.25Å; K380-I384 PolarHBondContact O-N 3.46Å |
| 381 | E | 94.6 | Very high | 94.8 | Very high | 106 Ų | 106 | 97 Ų | 97 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 175.4 | -69.8 | 177.3 | 153.6 | 0 | 0 | 112.3 | L377 H378 T383 I384 A385 | L377-E381 WeakPolarHBondContact O-CG 3.44Å; L377-E381 PolarHBondContact O-N 2.9Å; H378-E381 IonicContact ND1-OE2 3.79Å; H378-E381 PolarHBondContact ND1-OE2 2.98Å; H378-E381 WeakPolarHBondContact O-CB 3.27Å; H378-E381 PolarHBondContact O-N 2.98Å; E381-T383 VanDerWaalsContact C-N 3.29Å; E381-T383 PolarHBondContact O-N 3.44Å; E381-I384 PolarHBondContact O-N 3.31Å; E381-A385 WeakPolarHBondContact O-CB 3.34Å; E381-A385 PolarHBondContact O-N 3.49Å |
| 382 | I | 96.4 | Very high | 94.6 | Very high | 75 Ų | 75 | 96.2 Ų | 96.2 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 175.2 | -67.6 | 166.4 | 0 | 0 | 0 | 110.9 | H378 T386 | H378-I382 WeakPolarHBondContact O-CG1 3.44Å; H378-I382 PolarHBondContact O-N 2.91Å; I382-T386 WeakPolarHBondContact O-CB 3.49Å; I382-T386 PolarHBondContact O-N 3.19Å; I382-T386 PolarHBondContact O-OG1 2.91Å |
| 383 | T | 95.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 96.4 Ų | 96.4 | 43% | 0.429 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -46.7 | 178.7 | -58 | 0 | 0 | 0 | 0 | 111 | Q379 K380 E381 T386 V387 | Q379-T383 WeakPolarHBondContact O-CB 3.34Å; Q379-T383 PolarHBondContact O-N 2.97Å; Q379-T383 PolarHBondContact O-OG1 2.89Å; K380-T383 WeakPolarHBondContact O-CB 3.45Å; K380-T383 PolarHBondContact O-N 2.84Å; E381-T383 VanDerWaalsContact C-N 3.29Å; E381-T383 PolarHBondContact O-N 3.44Å; T383-T386 PolarHBondContact O-N 2.82Å; T383-V387 WeakPolarHBondContact O-CG2 3.49Å; T383-V387 PolarHBondContact O-N 2.84Å |
| 384 | I | 95.7 | Very high | 94.5 | Very high | 109 Ų | 109 | 96.6 Ų | 96.6 | 56% | 0.559 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.2 | -50.5 | 176 | -70.1 | 163.6 | 0 | 0 | 0 | 110.2 | K380 E381 T386 V387 T388 | K380-I384 WeakPolarHBondContact O-CB 3.39Å; K380-I384 VanDerWaalsContact O-CG1 3.27Å; K380-I384 WeakPolarHBondContact O-CG1 3.25Å; K380-I384 PolarHBondContact O-N 3.46Å; E381-I384 PolarHBondContact O-N 3.31Å; I384-T386 VanDerWaalsContact C-N 3.26Å; I384-T386 PolarHBondContact O-N 3.29Å; I384-V387 PolarHBondContact O-N 2.9Å; I384-V387 VanDerWaalsContact O-N 3.14Å; I384-T388 WeakPolarHBondContact O-CB 3.45Å; I384-T388 PolarHBondContact O-N 2.97Å; I384-T388 PolarHBondContact O-OG1 3.44Å |
| 385 | A | 92.4 | Very high | 94.3 | Very high | 62 Ų | 62 | 99 Ų | 99 | 51% | 0.512 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.4 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E381 K389 | E381-A385 WeakPolarHBondContact O-CB 3.34Å; E381-A385 PolarHBondContact O-N 3.49Å; A385-K389 WeakPolarHBondContact O-CB 3.27Å; A385-K389 PolarHBondContact O-N 3.48Å |
| 386 | T | 94.4 | Very high | 94.2 | Very high | 70 Ų | 70 | 98.7 Ų | 98.7 | 43% | 0.429 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | 177 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | I382 T383 I384 K389 K390 | I382-T386 WeakPolarHBondContact O-CB 3.49Å; I382-T386 PolarHBondContact O-N 3.19Å; I382-T386 PolarHBondContact O-OG1 2.91Å; T383-T386 PolarHBondContact O-N 2.82Å; I384-T386 VanDerWaalsContact C-N 3.26Å; I384-T386 PolarHBondContact O-N 3.29Å; T386-K389 PolarHBondContact O-N 3.03Å; T386-K390 WeakPolarHBondContact O-CG 3.33Å; T386-K390 PolarHBondContact O-N 2.99Å; T386-K390 VanDerWaalsContact O-N 3.11Å |
| 387 | V | 94.2 | Very high | 94.1 | Very high | 88 Ų | 88 | 98.6 Ų | 98.6 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | T383 I384 K389 K390 A391 | T383-V387 WeakPolarHBondContact O-CG2 3.49Å; T383-V387 PolarHBondContact O-N 2.84Å; I384-V387 PolarHBondContact O-N 2.9Å; I384-V387 VanDerWaalsContact O-N 3.14Å; V387-K389 VanDerWaalsContact C-N 3.32Å; V387-K389 PolarHBondContact O-N 2.88Å; V387-K390 PolarHBondContact O-N 2.83Å; V387-K390 VanDerWaalsContact O-N 3.11Å; V387-A391 PolarHBondContact O-N 3.44Å |
| 388 | T | 92 | Very high | 93.9 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | I384 K390 A391 A392 | I384-T388 WeakPolarHBondContact O-CB 3.45Å; I384-T388 PolarHBondContact O-N 2.97Å; I384-T388 PolarHBondContact O-OG1 3.44Å; T388-K390 PolarHBondContact O-N 3.15Å; T388-A391 PolarHBondContact O-N 3.16Å; T388-A392 PolarHBondContact O-N 2.7Å |
| 389 | K | 94.9 | Very high | 93.8 | Very high | 154 Ų | 154 | 101.1 Ų | 101.1 | 67% | 0.67 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -39.1 | 175.3 | -174.2 | 174.8 | 179.9 | 178 | 0 | 112.5 | A385 T386 V387 L393 | A385-K389 WeakPolarHBondContact O-CB 3.27Å; A385-K389 PolarHBondContact O-N 3.48Å; T386-K389 PolarHBondContact O-N 3.03Å; V387-K389 VanDerWaalsContact C-N 3.32Å; V387-K389 PolarHBondContact O-N 2.88Å; K389-L393 WeakPolarHBondContact O-CG 3.45Å; K389-L393 PolarHBondContact O-N 3.27Å |
| 390 | K | 94.4 | Very high | 93.6 | Very high | 136 Ų | 136 | 100.3 Ų | 100.3 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | 174.5 | -73.3 | 177.9 | 179.1 | -179.9 | 0 | 111.9 | T386 V387 T388 L393 L394 | T386-K390 WeakPolarHBondContact O-CG 3.33Å; T386-K390 PolarHBondContact O-N 2.99Å; T386-K390 VanDerWaalsContact O-N 3.11Å; V387-K390 PolarHBondContact O-N 2.83Å; V387-K390 VanDerWaalsContact O-N 3.11Å; T388-K390 PolarHBondContact O-N 3.15Å; K390-L393 PolarHBondContact O-N 2.96Å; K390-L394 PolarHBondContact O-N 3.3Å; K390-L394 VanDerWaalsContact O-N 3.09Å |
| 391 | A | 86.4 | Confident | 93.3 | Very high | 53 Ų | 53 | 99.3 Ų | 99.3 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V387 T388 L393 L394 E395 | V387-A391 PolarHBondContact O-N 3.44Å; T388-A391 PolarHBondContact O-N 3.16Å; A391-L393 VanDerWaalsContact C-N 3.29Å; A391-L393 PolarHBondContact O-N 3.29Å; A391-L394 PolarHBondContact O-N 2.96Å; A391-L394 VanDerWaalsContact O-N 3.16Å; A391-E395 WeakPolarHBondContact O-CB 3.28Å; A391-E395 PolarHBondContact O-N 2.65Å |
| 392 | A | 91.2 | Very high | 93.2 | Very high | 54 Ų | 54 | 99.3 Ų | 99.3 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -32.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T388 K396 | T388-A392 PolarHBondContact O-N 2.7Å; A392-K396 WeakPolarHBondContact O-CB 3.46Å; A392-K396 PolarHBondContact O-N 3.42Å; A392-K396 VanDerWaalsContact O-N 3.14Å |
| 393 | L | 95.1 | Very high | 93.1 | Very high | 112 Ų | 112 | 100.2 Ų | 100.2 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.5 | -43.3 | 173.8 | -72.3 | 169.7 | 0 | 0 | 0 | 111.9 | K389 K390 A391 K396 Q397 | K389-L393 WeakPolarHBondContact O-CG 3.45Å; K389-L393 PolarHBondContact O-N 3.27Å; K390-L393 PolarHBondContact O-N 2.96Å; A391-L393 VanDerWaalsContact C-N 3.29Å; A391-L393 PolarHBondContact O-N 3.29Å; L393-K396 PolarHBondContact O-N 3Å; L393-Q397 PolarHBondContact O-N 3.37Å |
| 394 | L | 94.9 | Very high | 93.1 | Very high | 103 Ų | 103 | 101.4 Ų | 101.4 | 54% | 0.539 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 176.6 | -69.9 | 171.5 | 0 | 0 | 0 | 111.9 | K390 A391 K396 Q397 L398 | K390-L394 PolarHBondContact O-N 3.3Å; K390-L394 VanDerWaalsContact O-N 3.09Å; A391-L394 PolarHBondContact O-N 2.96Å; A391-L394 VanDerWaalsContact O-N 3.16Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.44Å; L394-Q397 PolarHBondContact O-N 2.78Å; L394-L398 WeakPolarHBondContact O-CG 3.46Å; L394-L398 PolarHBondContact O-N 2.97Å |
| 395 | E | 90.9 | Very high | 92.9 | Very high | 139 Ų | 139 | 102.3 Ų | 102.3 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.4 | -45 | 174.3 | -171.7 | -173.7 | 169.7 | 0 | 0 | 111.3 | A391 Q397 L398 K399 | A391-E395 WeakPolarHBondContact O-CB 3.28Å; A391-E395 PolarHBondContact O-N 2.65Å; E395-Q397 VanDerWaalsContact C-N 3.34Å; E395-Q397 PolarHBondContact O-N 3.42Å; E395-L398 PolarHBondContact O-N 3.29Å; E395-K399 WeakPolarHBondContact O-CB 3.22Å; E395-K399 PolarHBondContact O-N 3.46Å |
| 396 | K | 93.1 | Very high | 92.8 | Very high | 137 Ų | 137 | 105.8 Ų | 105.8 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 175 | -173.3 | 178.5 | 178.6 | -177.8 | 0 | 112.3 | A392 L393 L394 M400 | A392-K396 WeakPolarHBondContact O-CB 3.46Å; A392-K396 PolarHBondContact O-N 3.42Å; A392-K396 VanDerWaalsContact O-N 3.14Å; L393-K396 PolarHBondContact O-N 3Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.44Å; K396-M400 WeakPolarHBondContact O-CG 3.29Å; K396-M400 PolarHBondContact O-N 3.24Å |
| 397 | Q | 93.6 | Very high | 92.8 | Very high | 97 Ų | 97 | 107.9 Ų | 107.9 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.7 | -52 | 175.7 | -178.6 | -178.6 | -24.7 | 0 | 0 | 111.4 | L393 L394 E395 K399 M400 E401 | L393-Q397 PolarHBondContact O-N 3.37Å; L394-Q397 PolarHBondContact O-N 2.78Å; E395-Q397 VanDerWaalsContact C-N 3.34Å; E395-Q397 PolarHBondContact O-N 3.42Å; Q397-K399 VanDerWaalsContact C-N 3.25Å; Q397-K399 PolarHBondContact O-N 2.95Å; Q397-M400 PolarHBondContact O-N 2.83Å; Q397-M400 VanDerWaalsContact O-N 3.07Å; Q397-E401 PolarHBondContact NE2-OE1 3.26Å; Q397-E401 PolarHBondContact O-N 3.49Å |
| 398 | L | 92.9 | Very high | 92.8 | Very high | 103 Ų | 103 | 109 Ų | 109 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.3 | -39.2 | 178.8 | -73.5 | 169.3 | 0 | 0 | 0 | 111.9 | L394 E395 M400 E401 L402 | L394-L398 WeakPolarHBondContact O-CG 3.46Å; L394-L398 PolarHBondContact O-N 2.97Å; E395-L398 PolarHBondContact O-N 3.29Å; L398-M400 PolarHBondContact O-N 3.12Å; L398-E401 PolarHBondContact O-N 3.48Å; L398-L402 WeakPolarHBondContact O-CB 3.5Å; L398-L402 WeakPolarHBondContact O-CG 3.25Å; L398-L402 PolarHBondContact O-N 3.3Å |
| 399 | K | 93.5 | Very high | 92.8 | Very high | 158 Ų | 158 | 109.8 Ų | 109.8 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 176.4 | -169.3 | 169.4 | -175 | 170.4 | 0 | 112.8 | E395 Q397 E403 | E395-K399 WeakPolarHBondContact O-CB 3.22Å; E395-K399 PolarHBondContact O-N 3.46Å; Q397-K399 VanDerWaalsContact C-N 3.25Å; Q397-K399 PolarHBondContact O-N 2.95Å; K399-E403 PolarHBondContact O-N 2.87Å; K399-E403 VanDerWaalsContact O-N 3.08Å |
| 400 | M | 92 | Very high | 92.7 | Very high | 96 Ų | 96 | 104.9 Ų | 104.9 | 47% | 0.473 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 174.8 | -67.5 | -176.1 | -59.9 | 0 | 0 | 112 | K396 Q397 L398 L402 E403 I404 | K396-M400 WeakPolarHBondContact O-CG 3.29Å; K396-M400 PolarHBondContact O-N 3.24Å; Q397-M400 PolarHBondContact O-N 2.83Å; Q397-M400 VanDerWaalsContact O-N 3.07Å; L398-M400 PolarHBondContact O-N 3.12Å; M400-L402 VanDerWaalsContact C-N 3.34Å; M400-L402 PolarHBondContact O-N 2.99Å; M400-E403 PolarHBondContact O-N 3.05Å; M400-I404 VanDerWaalsContact O-CG1 3.27Å; M400-I404 WeakPolarHBondContact O-CG1 3.48Å; M400-I404 PolarHBondContact O-N 3.18Å |
| 401 | E | 92 | Very high | 92.6 | Very high | 77 Ų | 77 | 106 Ų | 106 | 36% | 0.36 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.5 | -73.4 | -177.5 | -153.4 | 0 | 0 | 112.4 | Q397 L398 I404 K405 | Q397-E401 PolarHBondContact NE2-OE1 3.26Å; Q397-E401 PolarHBondContact O-N 3.49Å; L398-E401 PolarHBondContact O-N 3.48Å; E401-I404 PolarHBondContact O-N 3Å; E401-K405 WeakPolarHBondContact O-CG 3.43Å; E401-K405 PolarHBondContact O-N 3.48Å |
| 402 | L | 91.7 | Very high | 92.9 | Very high | 106 Ų | 106 | 108.6 Ų | 108.6 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.7 | -48.8 | 172.7 | -75 | 169.9 | 0 | 0 | 0 | 111.5 | L398 M400 I404 K405 E406 | L398-L402 WeakPolarHBondContact O-CB 3.5Å; L398-L402 WeakPolarHBondContact O-CG 3.25Å; L398-L402 PolarHBondContact O-N 3.3Å; M400-L402 VanDerWaalsContact C-N 3.34Å; M400-L402 PolarHBondContact O-N 2.99Å; L402-I404 VanDerWaalsContact C-N 3.28Å; L402-I404 PolarHBondContact O-N 3Å; L402-K405 PolarHBondContact O-N 3.37Å; L402-K405 VanDerWaalsContact O-N 3.09Å; L402-E406 WeakPolarHBondContact O-CG 3.48Å; L402-E406 PolarHBondContact O-N 3.25Å |
| 403 | E | 94.5 | Very high | 92.9 | Very high | 94 Ų | 94 | 112 Ų | 112 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 177.8 | -168.5 | -170.7 | 160.9 | 0 | 0 | 112.1 | K399 M400 K407 | K399-E403 PolarHBondContact O-N 2.87Å; K399-E403 VanDerWaalsContact O-N 3.08Å; M400-E403 PolarHBondContact O-N 3.05Å; E403-K407 HydrophobicContact CG-CD 4.48Å; E403-K407 WeakPolarHBondContact O-CB 3.45Å; E403-K407 VanDerWaalsContact O-CG 3.29Å; E403-K407 WeakPolarHBondContact O-CG 3.28Å; E403-K407 PolarHBondContact O-N 3.47Å; E403-K407 VanDerWaalsContact OE1-CE 3.25Å; E403-K407 WeakPolarHBondContact OE1-CE 3.45Å; E403-K407 IonicContact OE1-NZ 3.02Å; E403-K407 PolarHBondContact OE1-NZ 2.65Å |
| 404 | I | 94.3 | Very high | 92.8 | Very high | 96 Ų | 96 | 110.5 Ų | 110.5 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 174 | -69.2 | 164.8 | 0 | 0 | 0 | 110.7 | M400 E401 L402 K407 M408 | M400-I404 VanDerWaalsContact O-CG1 3.27Å; M400-I404 WeakPolarHBondContact O-CG1 3.48Å; M400-I404 PolarHBondContact O-N 3.18Å; E401-I404 PolarHBondContact O-N 3Å; L402-I404 VanDerWaalsContact C-N 3.28Å; L402-I404 PolarHBondContact O-N 3Å; I404-K407 PolarHBondContact O-N 3.01Å; I404-M408 HydrophobicContact CG2-CE 4.24Å; I404-M408 WeakPolarHBondContact O-CG 3.44Å; I404-M408 PolarHBondContact O-N 3.44Å |
| 405 | K | 93.2 | Very high | 92.5 | Very high | 127 Ų | 127 | 108.8 Ų | 108.8 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.8 | -40.8 | 177.2 | -76.1 | 176.6 | 179.9 | 175.3 | 0 | 112.2 | E401 L402 M408 L409 | E401-K405 WeakPolarHBondContact O-CG 3.43Å; E401-K405 PolarHBondContact O-N 3.48Å; L402-K405 PolarHBondContact O-N 3.37Å; L402-K405 VanDerWaalsContact O-N 3.09Å; K405-M408 HydrophobicContact CG-CE 4.16Å; K405-M408 PolarHBondContact O-N 3.15Å; K405-L409 WeakPolarHBondContact O-CB 3.43Å; K405-L409 PolarHBondContact O-N 2.93Å |
| 406 | E | 90.5 | Very high | 92.6 | Very high | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 173.9 | -73.4 | 179.9 | 165.6 | 0 | 0 | 111.8 | L402 M408 L409 A410 | L402-E406 WeakPolarHBondContact O-CG 3.48Å; L402-E406 PolarHBondContact O-N 3.25Å; E406-M408 VanDerWaalsContact C-N 3.34Å; E406-M408 PolarHBondContact O-N 2.69Å; E406-L409 PolarHBondContact O-N 3.5Å; E406-A410 WeakPolarHBondContact O-CB 3.32Å; E406-A410 PolarHBondContact O-N 3.12Å |
| 407 | K | 93.6 | Very high | 92.5 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 174.9 | -74.2 | 169.6 | -174.4 | 170.7 | 0 | 112.5 | E403 I404 K411 | E403-K407 HydrophobicContact CG-CD 4.48Å; E403-K407 WeakPolarHBondContact O-CB 3.45Å; E403-K407 VanDerWaalsContact O-CG 3.29Å; E403-K407 WeakPolarHBondContact O-CG 3.28Å; E403-K407 PolarHBondContact O-N 3.47Å; E403-K407 VanDerWaalsContact OE1-CE 3.25Å; E403-K407 WeakPolarHBondContact OE1-CE 3.45Å; E403-K407 IonicContact OE1-NZ 3.02Å; E403-K407 PolarHBondContact OE1-NZ 2.65Å; I404-K407 PolarHBondContact O-N 3.01Å; K407-K411 WeakPolarHBondContact O-CG 3.31Å; K407-K411 PolarHBondContact O-N 3.45Å; K407-K411 VanDerWaalsContact O-N 3.13Å |
| 408 | M | 93.3 | Very high | 92.3 | Very high | 112 Ų | 112 | 107.4 Ų | 107.4 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.3 | -43.6 | 174.3 | -70 | -167.1 | -60.4 | 0 | 0 | 111.9 | I404 K405 E406 A410 K411 Q412 | I404-M408 HydrophobicContact CG2-CE 4.24Å; I404-M408 WeakPolarHBondContact O-CG 3.44Å; I404-M408 PolarHBondContact O-N 3.44Å; K405-M408 HydrophobicContact CG-CE 4.16Å; K405-M408 PolarHBondContact O-N 3.15Å; E406-M408 VanDerWaalsContact C-N 3.34Å; E406-M408 PolarHBondContact O-N 2.69Å; M408-A410 VanDerWaalsContact C-N 3.33Å; M408-A410 PolarHBondContact O-N 2.92Å; M408-K411 WeakPolarHBondContact O-CB 3.36Å; M408-K411 PolarHBondContact O-N 3.25Å; M408-K411 VanDerWaalsContact O-N 3.17Å; M408-Q412 PolarHBondContact O-N 3.29Å |
| 409 | L | 93.2 | Very high | 92.3 | Very high | 101 Ų | 101 | 105.9 Ų | 105.9 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | 178.7 | -171.3 | 145.5 | 0 | 0 | 0 | 112.2 | K405 E406 Q412 K413 | K405-L409 WeakPolarHBondContact O-CB 3.43Å; K405-L409 PolarHBondContact O-N 2.93Å; E406-L409 PolarHBondContact O-N 3.5Å; L409-Q412 PolarHBondContact O-N 3.47Å; L409-K413 HydrophobicContact CD2-CD 3.97Å; L409-K413 WeakPolarHBondContact O-CG 3.46Å; L409-K413 PolarHBondContact O-N 3Å |
| 410 | A | 92.3 | Very high | 92.2 | Very high | 52 Ų | 52 | 103.6 Ų | 103.6 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E406 M408 K413 V414 | E406-A410 WeakPolarHBondContact O-CB 3.32Å; E406-A410 PolarHBondContact O-N 3.12Å; M408-A410 VanDerWaalsContact C-N 3.33Å; M408-A410 PolarHBondContact O-N 2.92Å; A410-K413 PolarHBondContact O-N 3.48Å; A410-V414 WeakPolarHBondContact O-CG2 3.35Å; A410-V414 PolarHBondContact O-N 2.87Å; A410-V414 VanDerWaalsContact O-N 3.12Å |
| 411 | K | 92.7 | Very high | 92.1 | Very high | 160 Ų | 160 | 101.5 Ų | 101.5 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 174 | -73.7 | 177.3 | 179 | -173.9 | 0 | 111.9 | K407 M408 V414 S415 | K407-K411 WeakPolarHBondContact O-CG 3.31Å; K407-K411 PolarHBondContact O-N 3.45Å; K407-K411 VanDerWaalsContact O-N 3.13Å; M408-K411 WeakPolarHBondContact O-CB 3.36Å; M408-K411 PolarHBondContact O-N 3.25Å; M408-K411 VanDerWaalsContact O-N 3.17Å; K411-V414 PolarHBondContact O-N 3.48Å; K411-S415 PolarHBondContact O-N 3.36Å |
| 412 | Q | 92.6 | Very high | 92 | Very high | 106 Ų | 106 | 100.6 Ų | 100.6 | 50% | 0.495 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -50.9 | 176.9 | -173.8 | 62.2 | 36.9 | 0 | 0 | 110.9 | M408 L409 V414 S415 D416 | M408-Q412 PolarHBondContact O-N 3.29Å; L409-Q412 PolarHBondContact O-N 3.47Å; Q412-V414 VanDerWaalsContact C-N 3.29Å; Q412-V414 PolarHBondContact O-N 3.01Å; Q412-S415 CarbonylContact O-C 3.59Å; Q412-S415 WeakPolarHBondContact O-CA 3.33Å; Q412-S415 VanDerWaalsContact O-CB 3.32Å; Q412-S415 WeakPolarHBondContact O-CB 3.41Å; Q412-S415 PolarHBondContact O-N 3.45Å; Q412-D416 PolarHBondContact NE2-OD1 3.49Å; Q412-D416 VanDerWaalsContact O-CG 3.26Å; Q412-D416 PolarHBondContact O-N 3.22Å |
| 413 | K | 91.3 | Very high | 92 | Very high | 127 Ų | 127 | 97.6 Ų | 97.6 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -55.6 | -41.1 | 177 | -76.4 | 177 | 173.9 | 175 | 0 | 112.9 | L409 A410 D416 M417 | L409-K413 HydrophobicContact CD2-CD 3.97Å; L409-K413 WeakPolarHBondContact O-CG 3.46Å; L409-K413 PolarHBondContact O-N 3Å; A410-K413 PolarHBondContact O-N 3.48Å; K413-D416 PolarHBondContact O-N 2.98Å; K413-M417 WeakPolarHBondContact O-CB 3.46Å; K413-M417 VanDerWaalsContact O-CG 3.26Å; K413-M417 WeakPolarHBondContact O-CG 3.44Å; K413-M417 PolarHBondContact O-N 3.37Å |
| 414 | V | 93.2 | Very high | 91.7 | Very high | 80 Ų | 80 | 97.5 Ų | 97.5 | 49% | 0.485 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -38 | 175.4 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | A410 K411 Q412 K418 | A410-V414 WeakPolarHBondContact O-CG2 3.35Å; A410-V414 PolarHBondContact O-N 2.87Å; A410-V414 VanDerWaalsContact O-N 3.12Å; K411-V414 PolarHBondContact O-N 3.48Å; Q412-V414 VanDerWaalsContact C-N 3.29Å; Q412-V414 PolarHBondContact O-N 3.01Å; V414-K418 WeakPolarHBondContact O-CG 3.39Å; V414-K418 PolarHBondContact O-N 3.42Å |
| 415 | S | 88 | Confident | 91.3 | Very high | 66 Ų | 66 | 98.7 Ų | 98.7 | 46% | 0.462 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 174.2 | -164.3 | 0 | 0 | 0 | 0 | 111.8 | K411 Q412 M417 K418 Y419 | K411-S415 PolarHBondContact O-N 3.36Å; Q412-S415 CarbonylContact O-C 3.59Å; Q412-S415 WeakPolarHBondContact O-CA 3.33Å; Q412-S415 VanDerWaalsContact O-CB 3.32Å; Q412-S415 WeakPolarHBondContact O-CB 3.41Å; Q412-S415 PolarHBondContact O-N 3.45Å; S415-M417 VanDerWaalsContact C-N 3.32Å; S415-M417 PolarHBondContact O-N 3.22Å; S415-K418 WeakPolarHBondContact O-CB 3.35Å; S415-K418 PolarHBondContact O-N 3.19Å; S415-Y419 WeakPolarHBondContact O-CB 3.5Å; S415-Y419 PolarHBondContact O-N 2.97Å |
| 416 | D | 92.6 | Very high | 90.8 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 35% | 0.353 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 178.2 | -60 | -23.3 | 0 | 0 | 0 | 111.4 | Q412 K413 Y419 K420 | Q412-D416 PolarHBondContact NE2-OD1 3.49Å; Q412-D416 VanDerWaalsContact O-CG 3.26Å; Q412-D416 PolarHBondContact O-N 3.22Å; K413-D416 PolarHBondContact O-N 2.98Å; D416-Y419 PolarHBondContact O-N 3.42Å; D416-K420 WeakPolarHBondContact O-CB 3.32Å; D416-K420 WeakPolarHBondContact O-CG 3.41Å; D416-K420 PolarHBondContact O-N 3.06Å |
| 417 | M | 91.6 | Very high | 90.4 | Very high | 137 Ų | 137 | 94.2 Ų | 94.2 | 68% | 0.675 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 173.6 | -75 | 177 | 70.3 | 0 | 0 | 112.1 | K413 S415 K420 A421 | K413-M417 WeakPolarHBondContact O-CB 3.46Å; K413-M417 VanDerWaalsContact O-CG 3.26Å; K413-M417 WeakPolarHBondContact O-CG 3.44Å; K413-M417 PolarHBondContact O-N 3.37Å; S415-M417 VanDerWaalsContact C-N 3.32Å; S415-M417 PolarHBondContact O-N 3.22Å; M417-K420 PolarHBondContact O-N 2.97Å; M417-A421 WeakPolarHBondContact O-CB 3.47Å; M417-A421 PolarHBondContact O-N 3.14Å |
| 418 | K | 89.8 | Confident | 89.7 | Confident | 142 Ų | 142 | 92.9 Ų | 92.9 | 62% | 0.617 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.6 | -44.3 | 174.6 | -75.5 | 177.3 | 177.9 | -173.5 | 0 | 111.6 | V414 S415 A421 V422 | V414-K418 WeakPolarHBondContact O-CG 3.39Å; V414-K418 PolarHBondContact O-N 3.42Å; S415-K418 WeakPolarHBondContact O-CB 3.35Å; S415-K418 PolarHBondContact O-N 3.19Å; K418-A421 PolarHBondContact O-N 2.93Å; K418-V422 WeakPolarHBondContact O-CG2 3.37Å; K418-V422 PolarHBondContact O-N 2.57Å |
| 419 | Y | 91.5 | Very high | 89.2 | Confident | 70 Ų | 70 | 91.6 Ų | 91.6 | 28% | 0.275 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.5 | 177.1 | -107.9 | 0 | 0 | 0 | 111.6 | S415 D416 A421 V422 R423 L537 S539 | S415-Y419 WeakPolarHBondContact O-CB 3.5Å; S415-Y419 PolarHBondContact O-N 2.97Å; D416-Y419 PolarHBondContact O-N 3.42Å; Y419-A421 PolarHBondContact O-N 3.01Å; Y419-V422 PolarHBondContact O-N 2.91Å; Y419-R423 PolarHBondContact O-N 3.03Å; Y419-R423 PolarHBondContact OH-NH2 3.34Å; Y419-R423 VanDerWaalsContact OH-NH2 3.09Å; Y419-L537 HydrophobicContact CD2-CD1 4.16Å; Y419-L537 HydrophobicContact CE2-CD1 3.75Å; Y419-L537 HydrophobicContact CE2-CG 4.43Å; Y419-S539 PolarHBondContact OH-N 3.39Å; Y419-S539 PolarHBondContact OH-O 3.47Å |
| 420 | K | 92.2 | Very high | 88.6 | Confident | 111 Ų | 111 | 94 Ų | 94 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 174.2 | -75.5 | 179.8 | 177.9 | -174 | 0 | 112.4 | D416 M417 R423 T424 | D416-K420 WeakPolarHBondContact O-CB 3.32Å; D416-K420 WeakPolarHBondContact O-CG 3.41Å; D416-K420 PolarHBondContact O-N 3.06Å; M417-K420 PolarHBondContact O-N 2.97Å; K420-R423 PolarHBondContact O-N 3.36Å; K420-T424 WeakPolarHBondContact O-CG2 3.4Å; K420-T424 PolarHBondContact O-N 3.11Å; K420-T424 PolarHBondContact O-OG1 3.47Å |
| 421 | A | 90.1 | Very high | 87.9 | Confident | 52 Ų | 52 | 94.2 Ų | 94.2 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -49.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M417 K418 Y419 R423 T424 E425 | M417-A421 WeakPolarHBondContact O-CB 3.47Å; M417-A421 PolarHBondContact O-N 3.14Å; K418-A421 PolarHBondContact O-N 2.93Å; Y419-A421 PolarHBondContact O-N 3.01Å; A421-R423 VanDerWaalsContact C-N 3.33Å; A421-R423 PolarHBondContact O-N 3.34Å; A421-T424 WeakPolarHBondContact CA-OG1 3.44Å; A421-T424 PolarHBondContact O-N 3.44Å; A421-T424 PolarHBondContact O-OG1 2.99Å; A421-E425 WeakPolarHBondContact O-CB 3.44Å; A421-E425 PolarHBondContact O-N 3.44Å |
| 422 | V | 90.1 | Very high | 86.9 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 35% | 0.352 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 176.7 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | K418 Y419 N426 L537 | K418-V422 WeakPolarHBondContact O-CG2 3.37Å; K418-V422 PolarHBondContact O-N 2.57Å; Y419-V422 PolarHBondContact O-N 2.91Å; V422-N426 WeakPolarHBondContact O-CB 3.33Å; V422-N426 PolarHBondContact O-N 3.31Å; V422-N426 PolarHBondContact O-ND2 3.47Å; V422-L537 HydrophobicContact CG1-CD1 4.41Å |
| 423 | R | 92.2 | Very high | 85.7 | Confident | 42 Ų | 42 | 94.1 Ų | 94.1 | 16% | 0.158 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -63.7 | -51.2 | 171.9 | -175.7 | -172.6 | -82.5 | 151.7 | -7.8 | 110.4 | Y419 K420 A421 E425 N426 T427 S539 D540 D541 | Y419-R423 PolarHBondContact O-N 3.03Å; Y419-R423 PolarHBondContact OH-NH2 3.34Å; Y419-R423 VanDerWaalsContact OH-NH2 3.09Å; K420-R423 PolarHBondContact O-N 3.36Å; A421-R423 VanDerWaalsContact C-N 3.33Å; A421-R423 PolarHBondContact O-N 3.34Å; R423-E425 VanDerWaalsContact C-N 3.25Å; R423-E425 PolarHBondContact O-N 3.41Å; R423-N426 CarbonylContact O-C 3.57Å; R423-N426 PolarHBondContact O-N 2.92Å; R423-N426 VanDerWaalsContact O-N 3.09Å; R423-T427 PolarHBondContact O-N 2.84Å; R423-T427 PolarHBondContact O-OG1 3.36Å; R423-S539 PolarHBondContact NH2-O 3.37Å; R423-D540 IonicContact CZ-OD1 2.75Å; R423-D540 IonicContact NE-OD1 3.56Å; R423-D540 PolarHBondContact NE-OD1 3.11Å; R423-D540 IonicContact NH2-OD1 3.32Å; R423-D541 IonicContact CZ-OD1 2.66Å; R423-D541 IonicContact CZ-OD2 2.84Å; R423-D541 VanDerWaalsContact CZ-OD2 3.3Å; R423-D541 IonicContact NH1-OD1 3.35Å; R423-D541 PolarHBondContact NH1-OD1 3.49Å; R423-D541 IonicContact NH1-OD2 3.94Å; R423-D541 PolarHBondContact NH1-OD2 3.27Å; R423-D541 IonicContact NH2-OD1 2.8Å; R423-D541 PolarHBondContact NH2-OD1 3.26Å; R423-D541 IonicContact NH2-OD2 3.69Å |
| 424 | T | 87.3 | Confident | 83.9 | Confident | 93 Ų | 93 | 90.1 Ų | 90.1 | 57% | 0.571 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.1 | -33.2 | 179.4 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | K420 A421 H428 | K420-T424 WeakPolarHBondContact O-CG2 3.4Å; K420-T424 PolarHBondContact O-N 3.11Å; K420-T424 PolarHBondContact O-OG1 3.47Å; A421-T424 WeakPolarHBondContact CA-OG1 3.44Å; A421-T424 PolarHBondContact O-N 3.44Å; A421-T424 PolarHBondContact O-OG1 2.99Å; T424-H428 VanDerWaalsContact O-CB 3.27Å; T424-H428 WeakPolarHBondContact O-CB 3.17Å; T424-H428 PolarHBondContact O-N 3.44Å |
| 425 | E | 86.9 | Confident | 82 | Confident | 120 Ų | 120 | 94.9 Ų | 94.9 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -45 | 172.2 | -174.7 | 172.4 | -160.6 | 0 | 0 | 111.3 | A421 R423 T427 H428 L429 | A421-E425 WeakPolarHBondContact O-CB 3.44Å; A421-E425 PolarHBondContact O-N 3.44Å; R423-E425 VanDerWaalsContact C-N 3.25Å; R423-E425 PolarHBondContact O-N 3.41Å; E425-T427 PolarHBondContact O-N 3.18Å; E425-H428 PolarHBondContact O-N 3.04Å; E425-L429 HydrophobicContact CG-CD1 4.13Å; E425-L429 WeakPolarHBondContact O-CB 3.13Å; E425-L429 VanDerWaalsContact O-CG 3.3Å; E425-L429 WeakPolarHBondContact O-CG 3.43Å; E425-L429 PolarHBondContact O-N 3.4Å |
| 426 | N | 81.6 | Confident | 80.3 | Confident | 77 Ų | 77 | 96.6 Ų | 96.6 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 172.8 | -86.9 | -72.7 | 0 | 0 | 0 | 112.7 | V422 R423 H428 L429 K430 | V422-N426 WeakPolarHBondContact O-CB 3.33Å; V422-N426 PolarHBondContact O-N 3.31Å; V422-N426 PolarHBondContact O-ND2 3.47Å; R423-N426 CarbonylContact O-C 3.57Å; R423-N426 PolarHBondContact O-N 2.92Å; R423-N426 VanDerWaalsContact O-N 3.09Å; N426-H428 VanDerWaalsContact C-N 3.34Å; N426-L429 PolarHBondContact O-N 3.26Å; N426-K430 WeakPolarHBondContact O-CB 3.32Å; N426-K430 PolarHBondContact O-N 3.29Å |
| 427 | T | 81.6 | Confident | 78.1 | Confident | 92 Ų | 92 | 99 Ų | 99 | 56% | 0.564 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 174.6 | -48.5 | 0 | 0 | 0 | 0 | 111.1 | R423 E425 K430 G431 | R423-T427 PolarHBondContact O-N 2.84Å; R423-T427 PolarHBondContact O-OG1 3.36Å; E425-T427 PolarHBondContact O-N 3.18Å; T427-K430 PolarHBondContact O-N 3.29Å; T427-G431 PolarHBondContact O-N 3Å |
| 428 | H | 80.3 | Confident | 76.3 | Confident | 86 Ų | 86 | 97.8 Ų | 97.8 | 40% | 0.398 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 176.3 | -174.2 | -61.4 | 0 | 0 | 0 | 112.1 | K196 T424 E425 N426 G431 M432 | K196-H428 PolarHBondContact NZ-NE2 3.06Å; T424-H428 VanDerWaalsContact O-CB 3.27Å; T424-H428 WeakPolarHBondContact O-CB 3.17Å; T424-H428 PolarHBondContact O-N 3.44Å; E425-H428 PolarHBondContact O-N 3.04Å; N426-H428 VanDerWaalsContact C-N 3.34Å; H428-G431 PolarHBondContact O-N 3.47Å; H428-M432 PolarHBondContact CE1-SD 3.38Å; H428-M432 PolarHBondContact ND1-SD 3Å; H428-M432 VanDerWaalsContact ND1-SD 3.43Å; H428-M432 WeakPolarHBondContact O-CB 3.48Å; H428-M432 WeakPolarHBondContact O-CG 3.24Å; H428-M432 PolarHBondContact O-N 2.88Å |
| 429 | L | 82.6 | Confident | 74.5 | Confident | 85 Ų | 85 | 93.6 Ų | 93.6 | 45% | 0.445 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 174.9 | -71.3 | 171.1 | 0 | 0 | 0 | 111 | E425 N426 G431 M432 M433 | E425-L429 HydrophobicContact CG-CD1 4.13Å; E425-L429 WeakPolarHBondContact O-CB 3.13Å; E425-L429 VanDerWaalsContact O-CG 3.3Å; E425-L429 WeakPolarHBondContact O-CG 3.43Å; E425-L429 PolarHBondContact O-N 3.4Å; N426-L429 PolarHBondContact O-N 3.26Å; L429-G431 VanDerWaalsContact C-N 3.33Å; L429-G431 PolarHBondContact O-N 3.44Å; L429-M432 PolarHBondContact O-N 2.76Å; L429-M433 WeakPolarHBondContact O-CG 3.49Å; L429-M433 PolarHBondContact O-N 2.89Å |
| 430 | K | 80.5 | Confident | 72.4 | Confident | 152 Ų | 152 | 96.7 Ų | 96.7 | 66% | 0.661 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.7 | -42 | 172.7 | -171 | 178.1 | -179.1 | -176.6 | 0 | 111.7 | N426 T427 M433 G434 | N426-K430 WeakPolarHBondContact O-CB 3.32Å; N426-K430 PolarHBondContact O-N 3.29Å; T427-K430 PolarHBondContact O-N 3.29Å; K430-M433 PolarHBondContact O-N 3.09Å; K430-G434 PolarHBondContact O-N 2.9Å |
| 431 | G | 77.3 | Confident | 70.1 | Confident | 57 Ų | 57 | 100.7 Ų | 100.7 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T427 H428 L429 M433 G434 | T427-G431 PolarHBondContact O-N 3Å; H428-G431 PolarHBondContact O-N 3.47Å; L429-G431 VanDerWaalsContact C-N 3.33Å; L429-G431 PolarHBondContact O-N 3.44Å; G431-M433 VanDerWaalsContact C-N 3.32Å; G431-G434 PolarHBondContact O-N 3.47Å; G431-G434 VanDerWaalsContact O-N 3.1Å |
| 432 | M | 72.7 | Confident | 68.2 | Low | 141 Ų | 141 | 104.7 Ų | 104.7 | 70% | 0.695 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.7 | -26.9 | 173.9 | -75.1 | -175 | 75.1 | 0 | 0 | 113.4 | H428 L429 G434 | H428-M432 PolarHBondContact CE1-SD 3.38Å; H428-M432 PolarHBondContact ND1-SD 3Å; H428-M432 VanDerWaalsContact ND1-SD 3.43Å; H428-M432 WeakPolarHBondContact O-CB 3.48Å; H428-M432 WeakPolarHBondContact O-CG 3.24Å; H428-M432 PolarHBondContact O-N 2.88Å; L429-M432 PolarHBondContact O-N 2.76Å; M432-G434 VanDerWaalsContact C-N 3.27Å |
| 433 | M | 67.1 | Low | 66.4 | Low | 123 Ų | 123 | 107 Ų | 107 | 61% | 0.606 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -10.7 | 170 | -67.9 | -172 | -51.5 | 0 | 0 | 112.5 | L429 K430 G431 L436 | L429-M433 WeakPolarHBondContact O-CG 3.49Å; L429-M433 PolarHBondContact O-N 2.89Å; K430-M433 PolarHBondContact O-N 3.09Å; G431-M433 VanDerWaalsContact C-N 3.32Å; M433-L436 WeakPolarHBondContact O-CB 3.41Å; M433-L436 WeakPolarHBondContact O-CD1 3.37Å; M433-L436 WeakPolarHBondContact O-CG 3.32Å |
| 434 | G | 52.5 | Low | 64.2 | Low | 42 Ų | 42 | 112.6 Ų | 112.6 | 43% | 0.433 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.9 | -174.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | K430 G431 M432 L436 | K430-G434 PolarHBondContact O-N 2.9Å; G431-G434 PolarHBondContact O-N 3.47Å; G431-G434 VanDerWaalsContact O-N 3.1Å; M432-G434 VanDerWaalsContact C-N 3.27Å; G434-L436 PolarHBondContact O-N 3.45Å |
| 435 | D | 54.6 | Low | 62.5 | Low | 180 Ų | 180 | 114.2 Ų | 114.2 | 96% | 0.963 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 50.7 | 165.8 | -70.2 | -39.2 | 0 | 0 | 0 | 110.5 | D437 | D435-D437 PolarHBondContact O-N 2.96Š|
| 436 | L | 51.4 | Low | 60.8 | Low | 102 Ų | 102 | 113.7 Ų | 113.7 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | trans | -72.1 | 111.7 | 171.6 | -76 | 178 | 0 | 0 | 0 | 109.1 | M433 G434 | M433-L436 WeakPolarHBondContact O-CB 3.41Å; M433-L436 WeakPolarHBondContact O-CD1 3.37Å; M433-L436 WeakPolarHBondContact O-CG 3.32Å; G434-L436 PolarHBondContact O-N 3.45Å | ||
| 437 | D | 46 | Very low | 59.6 | Low | 118 Ų | 118 | 114.9 Ų | 114.9 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | trans | -52.1 | 125.2 | 166.5 | -172.8 | -1.7 | 0 | 0 | 0 | 108.8 | D435 G439 E440 | D435-D437 PolarHBondContact O-N 2.96Å; D437-G439 PolarHBondContact O-N 2.91Å; D437-E440 PolarHBondContact O-N 2.99Å | ||
| 438 | P | 54.1 | Low | 58.4 | Low | 111 Ų | 111 | 115.8 Ų | 115.8 | 72% | 0.721 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | -13.2 | -178.5 | -30 | 36.7 | 0 | 0 | 0 | 115.6 | ||
| 439 | G | 51.6 | Low | 57.3 | Low | 54 Ų | 54 | 120.4 Ų | 120.4 | 56% | 0.557 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -33.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D437 | D437-G439 PolarHBondContact O-N 2.91Š|
| 440 | E | 47.3 | Very low | 56.3 | Low | 135 Ų | 135 | 119.7 Ų | 119.7 | 63% | 0.631 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -83 | -25.2 | -170.9 | -70.3 | -164 | 144.9 | 0 | 0 | 114.3 | D437 M442 S443 | D437-E440 PolarHBondContact O-N 2.99Å; E440-M442 PolarHBondContact O-N 3.37Å; E440-S443 PolarHBondContact O-N 3.01Å; E440-S443 VanDerWaalsContact O-N 3.11Å |
| 441 | Y | 45.3 | Very low | 55.6 | Low | 194 Ų | 194 | 118.6 Ų | 118.6 | 76% | 0.761 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -66.4 | -21.4 | -178.3 | -166.8 | -100.6 | 0 | 0 | 0 | 113.7 | S443 | Y441-S443 VanDerWaalsContact C-N 3.27Å; Y441-S443 PolarHBondContact O-N 2.66Å |
| 442 | M | 49.8 | Very low | 55.2 | Low | 137 Ų | 137 | 119.1 Ų | 119.1 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -79.5 | -6.2 | 177.5 | -63 | -61.5 | -71.7 | 0 | 0 | 113.5 | E440 | E440-M442 PolarHBondContact O-N 3.37Š|
| 443 | S | 52.2 | Low | 55.1 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -108.8 | 8.1 | -171.5 | -153.8 | 0 | 0 | 0 | 0 | 115.1 | E440 Y441 | E440-S443 PolarHBondContact O-N 3.01Å; E440-S443 VanDerWaalsContact O-N 3.11Å; Y441-S443 VanDerWaalsContact C-N 3.27Å; Y441-S443 PolarHBondContact O-N 2.66Å |
| 444 | M | 45.9 | Very low | 55.4 | Low | 161 Ų | 161 | 118.3 Ų | 118.3 | 79% | 0.793 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -89.2 | 111.6 | 169.9 | -87.6 | -169.5 | 175.5 | 0 | 0 | 112.3 | F446 | M444-F446 PolarHBondContact O-N 2.96Š|
| 445 | D | 51.2 | Low | 56.6 | Low | 126 Ų | 126 | 120 Ų | 120 | 67% | 0.674 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 52.4 | 22.5 | 159.9 | -78.3 | -13.9 | 0 | 0 | 0 | 118.9 | ||
| 446 | F | 51.4 | Low | 57.9 | Low | 110 Ų | 110 | 114.1 Ų | 114.1 | 48% | 0.482 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.6 | -53.1 | 162.1 | -78.6 | -80.5 | 0 | 0 | 0 | 110.5 | M444 N448 R449 E450 | M444-F446 PolarHBondContact O-N 2.96Å; F446-N448 VanDerWaalsContact C-N 3.34Å; F446-N448 PolarHBondContact O-N 3.4Å; F446-N448 VanDerWaalsContact O-N 3.1Å; F446-R449 CarbonylContact O-C 3.6Å; F446-R449 PolarHBondContact O-N 3.35Å; F446-E450 WeakPolarHBondContact O-CA 3.41Å; F446-E450 WeakPolarHBondContact O-CB 3.47Å; F446-E450 PolarHBondContact O-N 3.11Å |
| 447 | T | 57.2 | Low | 59.4 | Low | 101 Ų | 101 | 112.8 Ų | 112.8 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -49.1 | -46.2 | -171.3 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | Q451 | T447-Q451 VanDerWaalsContact O-CB 3.26Å; T447-Q451 WeakPolarHBondContact O-CB 3.5Å; T447-Q451 WeakPolarHBondContact O-CG 3.36Å; T447-Q451 PolarHBondContact O-N 3.43Å |
| 448 | N | 55 | Low | 61 | Low | 112 Ų | 112 | 111.9 Ų | 111.9 | 60% | 0.599 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -73.7 | -40.9 | -178.7 | -160.2 | -1 | 0 | 0 | 0 | 112.2 | F446 S452 | F446-N448 VanDerWaalsContact C-N 3.34Å; F446-N448 PolarHBondContact O-N 3.4Å; F446-N448 VanDerWaalsContact O-N 3.1Å; N448-S452 VanDerWaalsContact O-CB 3.25Å; N448-S452 WeakPolarHBondContact O-CB 3.37Å; N448-S452 PolarHBondContact O-N 3Å |
| 449 | R | 58.4 | Low | 62.5 | Low | 182 Ų | 182 | 113.6 Ų | 113.6 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.1 | -36.1 | 173.4 | 179.2 | 178.1 | -100.2 | -163.8 | -2.1 | 111.8 | F446 R453 | F446-R449 CarbonylContact O-C 3.6Å; F446-R449 PolarHBondContact O-N 3.35Å; R449-R453 VanDerWaalsContact O-CB 3.29Å; R449-R453 WeakPolarHBondContact O-CB 3.43Å; R449-R453 VanDerWaalsContact O-CG 3.23Å; R449-R453 WeakPolarHBondContact O-CG 3.45Å; R449-R453 PolarHBondContact O-N 3.05Å |
| 450 | E | 61.6 | Low | 64 | Low | 71 Ų | 71 | 116.3 Ų | 116.3 | 33% | 0.332 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.5 | -45.3 | -180 | -155.2 | 63.1 | -118.7 | 0 | 0 | 110.1 | F446 R453 H454 | F446-E450 WeakPolarHBondContact O-CA 3.41Å; F446-E450 WeakPolarHBondContact O-CB 3.47Å; F446-E450 PolarHBondContact O-N 3.11Å; E450-R453 PolarHBondContact O-N 3.2Å; E450-H454 WeakPolarHBondContact O-CB 3.23Å; E450-H454 PolarHBondContact O-N 2.8Å; E450-H454 PolarHBondContact O-ND1 3.46Å; E450-H454 IonicContact OE1-CE1 2.72Å; E450-H454 PolarHBondContact OE1-CE1 3.4Å; E450-H454 IonicContact OE1-ND1 2.65Å |
| 451 | Q | 64.7 | Low | 65.6 | Low | 128 Ų | 128 | 115.3 Ų | 115.3 | 60% | 0.598 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.7 | -38.8 | 173.7 | -74.5 | 167.6 | -12.4 | 0 | 0 | 112 | T447 T455 | T447-Q451 VanDerWaalsContact O-CB 3.26Å; T447-Q451 WeakPolarHBondContact O-CB 3.5Å; T447-Q451 WeakPolarHBondContact O-CG 3.36Å; T447-Q451 PolarHBondContact O-N 3.43Å; Q451-T455 VanDerWaalsContact O-CB 3.29Å; Q451-T455 WeakPolarHBondContact O-CB 3.49Å; Q451-T455 PolarHBondContact O-N 3.47Å; Q451-T455 PolarHBondContact O-OG1 2.79Å |
| 452 | S | 68.4 | Low | 67.3 | Low | 68 Ų | 68 | 114.5 Ų | 114.5 | 48% | 0.476 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | 172.6 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | N448 S456 | N448-S452 VanDerWaalsContact O-CB 3.25Å; N448-S452 WeakPolarHBondContact O-CB 3.37Å; N448-S452 PolarHBondContact O-N 3Å; S452-S456 VanDerWaalsContact O-CB 3.3Å; S452-S456 WeakPolarHBondContact O-CB 3.42Å; S452-S456 PolarHBondContact O-N 3.14Å; S452-S456 PolarHBondContact O-OG 3.34Å |
| 453 | R | 70.9 | Confident | 69 | Low | 146 Ų | 146 | 112.1 Ų | 112.1 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.8 | -48.1 | 172.6 | -79.7 | 174 | 68.4 | 116.6 | 0 | 111.8 | R449 E450 T455 S456 I457 | R449-R453 VanDerWaalsContact O-CB 3.29Å; R449-R453 WeakPolarHBondContact O-CB 3.43Å; R449-R453 VanDerWaalsContact O-CG 3.23Å; R449-R453 WeakPolarHBondContact O-CG 3.45Å; R449-R453 PolarHBondContact O-N 3.05Å; E450-R453 PolarHBondContact O-N 3.2Å; R453-T455 PolarHBondContact O-N 3.25Å; R453-S456 CarbonylContact O-C 3.58Å; R453-S456 PolarHBondContact O-N 3.4Å; R453-S456 VanDerWaalsContact O-N 3.17Å; R453-I457 HydrophobicContact CB-CD1 4.48Å; R453-I457 WeakPolarHBondContact O-CB 3.35Å; R453-I457 WeakPolarHBondContact O-CD1 3.44Å; R453-I457 WeakPolarHBondContact O-CG1 3.26Å; R453-I457 PolarHBondContact O-N 2.94Å |
| 454 | H | 74.5 | Confident | 70.2 | Confident | 101 Ų | 101 | 111 Ų | 111 | 47% | 0.468 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.4 | -80.2 | 76.7 | 0 | 0 | 0 | 111.8 | E450 S456 I457 N458 | E450-H454 WeakPolarHBondContact O-CB 3.23Å; E450-H454 PolarHBondContact O-N 2.8Å; E450-H454 PolarHBondContact O-ND1 3.46Å; E450-H454 IonicContact OE1-CE1 2.72Å; E450-H454 PolarHBondContact OE1-CE1 3.4Å; E450-H454 IonicContact OE1-ND1 2.65Å; H454-S456 VanDerWaalsContact C-N 3.33Å; H454-S456 PolarHBondContact O-N 3.3Å; H454-I457 PolarHBondContact O-N 3.23Å; H454-N458 WeakPolarHBondContact O-CB 3.46Å; H454-N458 PolarHBondContact O-N 3.24Å; H454-N458 PolarHBondContact O-ND2 3.02Å |
| 455 | T | 77.7 | Confident | 72 | Confident | 77 Ų | 77 | 108.5 Ų | 108.5 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 174.5 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | Q451 R453 K459 | Q451-T455 VanDerWaalsContact O-CB 3.29Å; Q451-T455 WeakPolarHBondContact O-CB 3.49Å; Q451-T455 PolarHBondContact O-N 3.47Å; Q451-T455 PolarHBondContact O-OG1 2.79Å; R453-T455 PolarHBondContact O-N 3.25Å; T455-K459 WeakPolarHBondContact O-CG 3.39Å; T455-K459 PolarHBondContact O-N 3.22Å; T455-K459 VanDerWaalsContact O-N 3.11Å |
| 456 | S | 81.9 | Confident | 73.6 | Confident | 57 Ų | 57 | 107.9 Ų | 107.9 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.3 | -40.1 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | S452 R453 H454 K459 L460 | S452-S456 VanDerWaalsContact O-CB 3.3Å; S452-S456 WeakPolarHBondContact O-CB 3.42Å; S452-S456 PolarHBondContact O-N 3.14Å; S452-S456 PolarHBondContact O-OG 3.34Å; R453-S456 CarbonylContact O-C 3.58Å; R453-S456 PolarHBondContact O-N 3.4Å; R453-S456 VanDerWaalsContact O-N 3.17Å; H454-S456 VanDerWaalsContact C-N 3.33Å; H454-S456 PolarHBondContact O-N 3.3Å; S456-K459 PolarHBondContact O-N 3.44Å; S456-L460 WeakPolarHBondContact O-CB 3.49Å; S456-L460 VanDerWaalsContact O-CG 3.3Å; S456-L460 WeakPolarHBondContact O-CG 3.38Å; S456-L460 PolarHBondContact O-N 3.45Å |
| 457 | I | 81.9 | Confident | 75.1 | Confident | 75 Ų | 75 | 106.7 Ų | 106.7 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -45 | 176.4 | -71.7 | 163.9 | 0 | 0 | 0 | 110.2 | R453 H454 K459 L460 Q461 | R453-I457 HydrophobicContact CB-CD1 4.48Å; R453-I457 WeakPolarHBondContact O-CB 3.35Å; R453-I457 WeakPolarHBondContact O-CD1 3.44Å; R453-I457 WeakPolarHBondContact O-CG1 3.26Å; R453-I457 PolarHBondContact O-N 2.94Å; H454-I457 PolarHBondContact O-N 3.23Å; I457-K459 PolarHBondContact O-N 3.29Å; I457-L460 PolarHBondContact O-N 3.5Å; I457-Q461 HydrophobicContact CG2-CG 4.4Å; I457-Q461 WeakPolarHBondContact O-CB 3.38Å; I457-Q461 WeakPolarHBondContact O-CG 3.17Å; I457-Q461 PolarHBondContact O-N 3.11Å |
| 458 | N | 79.9 | Confident | 76.2 | Confident | 98 Ų | 98 | 109 Ų | 109 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 175.7 | -78.3 | -22.2 | 0 | 0 | 0 | 112.2 | H454 Q461 Y462 | H454-N458 WeakPolarHBondContact O-CB 3.46Å; H454-N458 PolarHBondContact O-N 3.24Å; H454-N458 PolarHBondContact O-ND2 3.02Å; N458-Q461 PolarHBondContact O-N 3.46Å; N458-Y462 WeakPolarHBondContact O-CB 3.31Å; N458-Y462 PolarHBondContact O-N 2.93Å |
| 459 | K | 85.5 | Confident | 77.3 | Confident | 147 Ų | 147 | 107.6 Ų | 107.6 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.7 | -46.7 | 173 | -77.4 | 177 | 179.6 | 179.6 | 0 | 111.9 | T455 S456 I457 Y462 E463 | T455-K459 WeakPolarHBondContact O-CG 3.39Å; T455-K459 PolarHBondContact O-N 3.22Å; T455-K459 VanDerWaalsContact O-N 3.11Å; S456-K459 PolarHBondContact O-N 3.44Å; I457-K459 PolarHBondContact O-N 3.29Å; K459-Y462 PolarHBondContact O-N 3.41Å; K459-E463 WeakPolarHBondContact O-CB 3.34Å; K459-E463 PolarHBondContact O-N 3.32Å |
| 460 | L | 83.6 | Confident | 78.3 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.7 | -35.4 | 178.4 | -73.6 | 171.9 | 0 | 0 | 0 | 112.5 | S456 I457 N464 | S456-L460 WeakPolarHBondContact O-CB 3.49Å; S456-L460 VanDerWaalsContact O-CG 3.3Å; S456-L460 WeakPolarHBondContact O-CG 3.38Å; S456-L460 PolarHBondContact O-N 3.45Å; I457-L460 PolarHBondContact O-N 3.5Å; L460-N464 WeakPolarHBondContact O-CB 3.44Å; L460-N464 PolarHBondContact O-N 2.83Å |
| 461 | Q | 80.4 | Confident | 78.9 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 54% | 0.537 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -48.1 | 173.2 | -81.8 | -179 | -30.1 | 0 | 0 | 111 | I457 N458 E463 N464 E465 | I457-Q461 HydrophobicContact CG2-CG 4.4Å; I457-Q461 WeakPolarHBondContact O-CB 3.38Å; I457-Q461 WeakPolarHBondContact O-CG 3.17Å; I457-Q461 PolarHBondContact O-N 3.11Å; N458-Q461 PolarHBondContact O-N 3.46Å; Q461-E463 VanDerWaalsContact C-N 3.29Å; Q461-E463 PolarHBondContact O-N 2.96Å; Q461-N464 PolarHBondContact O-N 2.92Å; Q461-N464 VanDerWaalsContact O-N 3.13Å; Q461-E465 WeakPolarHBondContact O-CB 3.36Å; Q461-E465 PolarHBondContact O-N 2.78Å |
| 462 | Y | 82.1 | Confident | 79.1 | Confident | 177 Ų | 177 | 99.1 Ų | 99.1 | 69% | 0.694 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.3 | -40.8 | 175.5 | -177.3 | -98.4 | 0 | 0 | 0 | 111.9 | N458 K459 E465 R466 | N458-Y462 WeakPolarHBondContact O-CB 3.31Å; N458-Y462 PolarHBondContact O-N 2.93Å; K459-Y462 PolarHBondContact O-N 3.41Å; Y462-E465 PolarHBondContact O-N 3.19Å; Y462-R466 WeakPolarHBondContact O-CB 3.5Å; Y462-R466 PolarHBondContact O-N 3.45Å |
| 463 | E | 84.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 41% | 0.407 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.3 | -34.5 | 175.1 | -171.7 | 150.1 | -123.1 | 0 | 0 | 112.8 | K459 Q461 R466 L467 | K459-E463 WeakPolarHBondContact O-CB 3.34Å; K459-E463 PolarHBondContact O-N 3.32Å; Q461-E463 VanDerWaalsContact C-N 3.29Å; Q461-E463 PolarHBondContact O-N 2.96Å; E463-R466 PolarHBondContact O-N 2.95Å; E463-R466 IonicContact OE1-CZ 3.8Å; E463-R466 IonicContact OE1-NH1 2.64Å; E463-R466 PolarHBondContact OE1-NH1 3.16Å; E463-L467 HydrophobicContact CG-CD1 4.06Å; E463-L467 HydrophobicContact CG-CG 4.36Å; E463-L467 VanDerWaalsContact O-CB 3.31Å; E463-L467 WeakPolarHBondContact O-CB 3.49Å; E463-L467 VanDerWaalsContact O-CG 3.23Å; E463-L467 WeakPolarHBondContact O-CG 3.49Å; E463-L467 PolarHBondContact O-N 2.89Å |
| 464 | N | 78.4 | Confident | 78.8 | Confident | 82 Ų | 82 | 100.2 Ų | 100.2 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 171.4 | -130.8 | -87.2 | 0 | 0 | 0 | 111.5 | L460 Q461 R466 L467 R468 | L460-N464 WeakPolarHBondContact O-CB 3.44Å; L460-N464 PolarHBondContact O-N 2.83Å; Q461-N464 PolarHBondContact O-N 2.92Å; Q461-N464 VanDerWaalsContact O-N 3.13Å; N464-R466 VanDerWaalsContact C-N 3.3Å; N464-R466 PolarHBondContact O-N 3.31Å; N464-L467 PolarHBondContact O-N 2.86Å; N464-R468 VanDerWaalsContact O-CB 3.28Å; N464-R468 WeakPolarHBondContact O-CB 3.17Å; N464-R468 WeakPolarHBondContact O-CG 3.5Å; N464-R468 PolarHBondContact O-N 2.97Å; N464-R468 PolarHBondContact OD1-NE 2.96Å |
| 465 | E | 82.7 | Confident | 78 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.1 | -151.3 | 65.2 | -144.2 | 0 | 0 | 110.8 | Q461 Y462 N469 | Q461-E465 WeakPolarHBondContact O-CB 3.36Å; Q461-E465 PolarHBondContact O-N 2.78Å; Y462-E465 PolarHBondContact O-N 3.19Å; E465-N469 WeakPolarHBondContact O-CB 3.43Å; E465-N469 PolarHBondContact O-N 3.08Å; E465-N469 PolarHBondContact O-ND2 2.9Å |
| 466 | R | 84.8 | Confident | 77 | Confident | 113 Ų | 113 | 105.8 Ų | 105.8 | 43% | 0.426 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.6 | -49.3 | 172.8 | -159.3 | -171 | 96.3 | -129.3 | 5.3 | 111.6 | Y462 E463 N464 R468 N469 D470 | Y462-R466 WeakPolarHBondContact O-CB 3.5Å; Y462-R466 PolarHBondContact O-N 3.45Å; E463-R466 PolarHBondContact O-N 2.95Å; E463-R466 IonicContact OE1-CZ 3.8Å; E463-R466 IonicContact OE1-NH1 2.64Å; E463-R466 PolarHBondContact OE1-NH1 3.16Å; N464-R466 VanDerWaalsContact C-N 3.3Å; N464-R466 PolarHBondContact O-N 3.31Å; R466-R468 VanDerWaalsContact C-N 3.33Å; R466-R468 PolarHBondContact O-N 3.44Å; R466-N469 CarbonylContact O-C 3.57Å; R466-N469 WeakPolarHBondContact O-CB 3.21Å; R466-N469 PolarHBondContact O-N 2.95Å; R466-D470 IonicContact NE-OD2 2.94Å; R466-D470 WeakPolarHBondContact O-CB 3.44Å; R466-D470 VanDerWaalsContact O-CG 3.24Å; R466-D470 PolarHBondContact O-N 3Å |
| 467 | L | 83.8 | Confident | 75.8 | Confident | 85 Ų | 85 | 110.1 Ų | 110.1 | 45% | 0.445 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -33.1 | 178.8 | -73.5 | 170.7 | 0 | 0 | 0 | 112.5 | E463 N464 D470 L471 | E463-L467 HydrophobicContact CG-CD1 4.06Å; E463-L467 HydrophobicContact CG-CG 4.36Å; E463-L467 VanDerWaalsContact O-CB 3.31Å; E463-L467 WeakPolarHBondContact O-CB 3.49Å; E463-L467 VanDerWaalsContact O-CG 3.23Å; E463-L467 WeakPolarHBondContact O-CG 3.49Å; E463-L467 PolarHBondContact O-N 2.89Å; N464-L467 PolarHBondContact O-N 2.86Å; L467-D470 PolarHBondContact O-N 3.26Å; L467-L471 VanDerWaalsContact O-CB 3.24Å; L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 WeakPolarHBondContact O-CG 3.39Å; L467-L471 PolarHBondContact O-N 2.82Å |
| 468 | R | 79.4 | Confident | 74 | Confident | 151 Ų | 151 | 109 Ų | 109 | 57% | 0.57 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.2 | -41.5 | 171 | -76 | 171.5 | -179.9 | -166.7 | -5.5 | 111.6 | N464 R466 A472 | N464-R468 VanDerWaalsContact O-CB 3.28Å; N464-R468 WeakPolarHBondContact O-CB 3.17Å; N464-R468 WeakPolarHBondContact O-CG 3.5Å; N464-R468 PolarHBondContact O-N 2.97Å; N464-R468 PolarHBondContact OD1-NE 2.96Å; R466-R468 VanDerWaalsContact C-N 3.33Å; R466-R468 PolarHBondContact O-N 3.44Å; R468-A472 VanDerWaalsContact O-CB 3.29Å; R468-A472 WeakPolarHBondContact O-CB 3.43Å; R468-A472 PolarHBondContact O-N 2.89Å |
| 469 | N | 78.1 | Confident | 72.4 | Confident | 82 Ų | 82 | 114 Ų | 114 | 44% | 0.439 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 171.6 | -90.8 | -80.6 | 0 | 0 | 0 | 112 | E465 R466 A472 K473 | E465-N469 WeakPolarHBondContact O-CB 3.43Å; E465-N469 PolarHBondContact O-N 3.08Å; E465-N469 PolarHBondContact O-ND2 2.9Å; R466-N469 CarbonylContact O-C 3.57Å; R466-N469 WeakPolarHBondContact O-CB 3.21Å; R466-N469 PolarHBondContact O-N 2.95Å; N469-A472 PolarHBondContact O-N 2.8Å; N469-K473 WeakPolarHBondContact O-CG 3.47Å; N469-K473 PolarHBondContact O-N 3.48Å |
| 470 | D | 80 | Confident | 70.7 | Confident | 50 Ų | 50 | 112.1 Ų | 112.1 | 27% | 0.267 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.5 | -35 | 179.7 | -66 | -21 | 0 | 0 | 0 | 111.3 | R466 L467 K473 L474 | R466-D470 IonicContact NE-OD2 2.94Å; R466-D470 WeakPolarHBondContact O-CB 3.44Å; R466-D470 VanDerWaalsContact O-CG 3.24Å; R466-D470 PolarHBondContact O-N 3Å; L467-D470 PolarHBondContact O-N 3.26Å; D470-K473 PolarHBondContact O-N 3.25Å; D470-K473 IonicContact OD1-NZ 3.69Å; D470-K473 PolarHBondContact OD1-NZ 3.34Å; D470-L474 WeakPolarHBondContact O-CB 3.48Å; D470-L474 VanDerWaalsContact O-CG 3.25Å; D470-L474 WeakPolarHBondContact O-CG 3.36Å; D470-L474 PolarHBondContact O-N 3.43Å |
| 471 | L | 74.1 | Confident | 69 | Low | 100 Ų | 100 | 113.6 Ų | 113.6 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.9 | -41.5 | 167.3 | -83.7 | 167 | 0 | 0 | 0 | 112.3 | L467 L474 H475 | L467-L471 VanDerWaalsContact O-CB 3.24Å; L467-L471 WeakPolarHBondContact O-CB 3.45Å; L467-L471 WeakPolarHBondContact O-CG 3.39Å; L467-L471 PolarHBondContact O-N 2.82Å; L471-L474 PolarHBondContact O-N 3.45Å; L471-H475 WeakPolarHBondContact O-CB 3.35Å; L471-H475 PolarHBondContact O-N 3.33Å |
| 472 | A | 69.4 | Low | 67.2 | Low | 52 Ų | 52 | 118.9 Ų | 118.9 | 43% | 0.43 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.5 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R468 N469 H475 V476 | R468-A472 VanDerWaalsContact O-CB 3.29Å; R468-A472 WeakPolarHBondContact O-CB 3.43Å; R468-A472 PolarHBondContact O-N 2.89Å; N469-A472 PolarHBondContact O-N 2.8Å; A472-H475 PolarHBondContact O-N 3.18Å; A472-V476 WeakPolarHBondContact O-CB 3.21Å; A472-V476 VanDerWaalsContact O-CG2 3.28Å; A472-V476 WeakPolarHBondContact O-CG2 3.3Å; A472-V476 PolarHBondContact O-N 3.34Å |
| 473 | K | 69.7 | Low | 65.4 | Low | 121 Ų | 121 | 116.8 Ų | 116.8 | 53% | 0.526 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.5 | -39.9 | 172.8 | -69.1 | 166.5 | -157.3 | 159.5 | 0 | 112.2 | N469 D470 V476 N477 | N469-K473 WeakPolarHBondContact O-CG 3.47Å; N469-K473 PolarHBondContact O-N 3.48Å; D470-K473 PolarHBondContact O-N 3.25Å; D470-K473 IonicContact OD1-NZ 3.69Å; D470-K473 PolarHBondContact OD1-NZ 3.34Å; K473-V476 PolarHBondContact O-N 2.75Å; K473-N477 VanDerWaalsContact O-CB 3.23Å; K473-N477 WeakPolarHBondContact O-CB 3.42Å; K473-N477 PolarHBondContact O-N 2.82Å |
| 474 | L | 62.3 | Low | 63.7 | Low | 117 Ų | 117 | 118.8 Ų | 118.8 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.4 | -41.6 | 175.6 | -76.1 | 165.5 | 0 | 0 | 0 | 111.9 | D470 L471 V476 N477 G478 | D470-L474 WeakPolarHBondContact O-CB 3.48Å; D470-L474 VanDerWaalsContact O-CG 3.25Å; D470-L474 WeakPolarHBondContact O-CG 3.36Å; D470-L474 PolarHBondContact O-N 3.43Å; L471-L474 PolarHBondContact O-N 3.45Å; L474-V476 VanDerWaalsContact C-N 3.29Å; L474-V476 PolarHBondContact O-N 3.19Å; L474-N477 CarbonylContact O-C 3.59Å; L474-N477 PolarHBondContact O-N 2.95Å; L474-G478 PolarHBondContact O-N 3.3Å |
| 475 | H | 57.5 | Low | 62 | Low | 162 Ų | 162 | 123.7 Ų | 123.7 | 75% | 0.75 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.7 | -32.3 | 173.2 | -97.9 | -94 | 0 | 0 | 0 | 113.2 | L471 A472 | L471-H475 WeakPolarHBondContact O-CB 3.35Å; L471-H475 PolarHBondContact O-N 3.33Å; A472-H475 PolarHBondContact O-N 3.18Å |
| 476 | V | 56.9 | Low | 60.3 | Low | 132 Ų | 132 | 124.9 Ų | 124.9 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78.9 | -25.9 | 175.3 | 170.4 | 0 | 0 | 0 | 0 | 112.2 | A472 K473 L474 | A472-V476 WeakPolarHBondContact O-CB 3.21Å; A472-V476 VanDerWaalsContact O-CG2 3.28Å; A472-V476 WeakPolarHBondContact O-CG2 3.3Å; A472-V476 PolarHBondContact O-N 3.34Å; K473-V476 PolarHBondContact O-N 2.75Å; L474-V476 VanDerWaalsContact C-N 3.29Å; L474-V476 PolarHBondContact O-N 3.19Å |
| 477 | N | 57.4 | Low | 58.4 | Low | 148 Ų | 148 | 124.4 Ų | 124.4 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -114.1 | 12.5 | -172.6 | -158.1 | 38.9 | 0 | 0 | 0 | 115.3 | K473 L474 | K473-N477 VanDerWaalsContact O-CB 3.23Å; K473-N477 WeakPolarHBondContact O-CB 3.42Å; K473-N477 PolarHBondContact O-N 2.82Å; L474-N477 CarbonylContact O-C 3.59Å; L474-N477 PolarHBondContact O-N 2.95Å |
| 478 | G | 44.9 | Very low | 56.6 | Low | 52 Ų | 52 | 130.9 Ų | 130.9 | 54% | 0.536 | 68% | 0.675 | S | S | . | * | trans | -159.3 | 110.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L474 | L474-G478 PolarHBondContact O-N 3.3Š| ||
| 479 | K | 45.5 | Very low | 55 | Low | 203 Ų | 203 | 129.8 Ų | 129.8 | 88% | 0.883 | 68% | 0.677 | S | S | * | * | trans | -87.6 | 137.1 | 167.1 | -90.1 | -178.4 | 174.7 | 176.6 | 0 | 111.3 | ||||
| 480 | S | 50.6 | Low | 53.6 | Low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | trans | 56.3 | 107.9 | 162.2 | 65.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 481 | T | 47.9 | Very low | 52.1 | Low | 142 Ų | 142 | 134.5 Ų | 134.5 | 87% | 0.871 | 70% | 0.702 | S | S | * | * | trans | -171.5 | 75.5 | 134.8 | 25.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 482 | W | 41.5 | Very low | 51.1 | Low | 226 Ų | 226 | 131.9 Ų | 131.9 | 86% | 0.856 | 70% | 0.699 | S | S | * | * | trans | -152.5 | 62.1 | 157.7 | -147.8 | -63.5 | 0 | 0 | 0 | 113.3 | N484 | W482-N484 PolarHBondContact O-N 3.42Š| ||
| 483 | T | 45.2 | Very low | 50.4 | Low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | trans | -77 | 91.5 | 159.1 | 44.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 484 | N | 46.7 | Very low | 49.6 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | 176.9 | 81.8 | 156.6 | -92.4 | -28 | 0 | 0 | 0 | 109.9 | W482 | W482-N484 PolarHBondContact O-N 3.42Š| ||
| 485 | Q | 44.3 | Very low | 49.2 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -139.8 | 56.7 | 173.6 | -165.6 | 168.7 | 5.7 | 0 | 0 | 109.5 | ||||
| 486 | N | 46.3 | Very low | 48.9 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | trans | -154.6 | 30.2 | 177.2 | -128 | 14.6 | 0 | 0 | 0 | 114.2 | ||||
| 487 | T | 44.4 | Very low | 48.6 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 63% | 0.632 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -123.5 | 6.6 | -175.9 | 3.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 488 | Y | 45.4 | Very low | 48.2 | Very low | 222 Ų | 222 | 133 Ų | 133 | 87% | 0.871 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -114.3 | -22.3 | 179.5 | -126.9 | -94.9 | 0 | 0 | 0 | 114.1 | ||
| 489 | E | 47.4 | Very low | 48.6 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -84.6 | -11.6 | 176.3 | -69 | -165.1 | 178.2 | 0 | 0 | 114.4 | R493 | E489-R493 PolarHBondContact O-NE 3.47Å; E489-R493 IonicContact OE2-NH2 3.44Å; E489-R493 PolarHBondContact OE2-NH2 3.3Å |
| 490 | E | 48.5 | Very low | 49 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 58% | 0.579 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -89.1 | -37.2 | -174 | -161.5 | 152.6 | -150.6 | 0 | 0 | 111.9 | G492 R493 Y494 | E490-G492 VanDerWaalsContact C-N 3.3Å; E490-G492 PolarHBondContact O-N 3.09Å; E490-R493 PolarHBondContact O-N 2.79Å; E490-Y494 PolarHBondContact O-N 3.48Å |
| 491 | T | 48.9 | Very low | 48.9 | Very low | 107 Ų | 107 | 134 Ų | 134 | 66% | 0.656 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -61.9 | -34.2 | 175.4 | -47.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 492 | G | 53 | Low | 49.1 | Very low | 45 Ų | 45 | 131.9 Ų | 131.9 | 46% | 0.464 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.5 | -31.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E490 | E490-G492 VanDerWaalsContact C-N 3.3Å; E490-G492 PolarHBondContact O-N 3.09Å |
| 493 | R | 54.1 | Low | 49.3 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 60% | 0.6 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.8 | -34.8 | -177.3 | -63.5 | -177 | -138 | -130.4 | 5.8 | 112.4 | E489 E490 Q497 | E489-R493 PolarHBondContact O-NE 3.47Å; E489-R493 IonicContact OE2-NH2 3.44Å; E489-R493 PolarHBondContact OE2-NH2 3.3Å; E490-R493 PolarHBondContact O-N 2.79Å; R493-Q497 PolarHBondContact O-N 3.22Å |
| 494 | Y | 52.6 | Low | 49.3 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 63% | 0.627 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.9 | -32.3 | 175.2 | -89.2 | -83.9 | 0 | 0 | 0 | 113.6 | E490 S498 | E490-Y494 PolarHBondContact O-N 3.48Å; Y494-S498 PolarHBondContact O-N 3.07Å; Y494-S498 PolarHBondContact O-OG 3.44Å |
| 495 | A | 53.3 | Low | 49.3 | Very low | 58 Ų | 58 | 128.6 Ų | 128.6 | 48% | 0.479 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.9 | -49 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q497 S498 | A495-Q497 VanDerWaalsContact C-N 3.34Å; A495-Q497 PolarHBondContact O-N 3.45Å; A495-S498 PolarHBondContact O-N 3.16Å |
| 496 | Y | 51.8 | Low | 49.3 | Very low | 180 Ų | 180 | 128 Ų | 128 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.9 | -34.9 | 178.5 | -108.3 | -92.7 | 0 | 0 | 0 | 113.3 | S498 | Y496-S498 VanDerWaalsContact C-N 3.3Å; Y496-S498 PolarHBondContact O-N 3.35Å |
| 497 | Q | 49.9 | Very low | 48.9 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 59% | 0.589 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76.8 | -16.1 | 179.3 | -162.8 | 165.7 | 31.3 | 0 | 0 | 113.7 | R493 A495 | R493-Q497 PolarHBondContact O-N 3.22Å; A495-Q497 VanDerWaalsContact C-N 3.34Å; A495-Q497 PolarHBondContact O-N 3.45Å |
| 498 | S | 51.1 | Low | 48.6 | Very low | 73 Ų | 73 | 136 Ų | 136 | 51% | 0.51 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -82.9 | -32.4 | 178.2 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | Y494 A495 Y496 K501 | Y494-S498 PolarHBondContact O-N 3.07Å; Y494-S498 PolarHBondContact O-OG 3.44Å; A495-S498 PolarHBondContact O-N 3.16Å; Y496-S498 VanDerWaalsContact C-N 3.3Å; Y496-S498 PolarHBondContact O-N 3.35Å; S498-K501 PolarHBondContact O-N 3.47Å |
| 499 | Q | 51.5 | Low | 48.4 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 65% | 0.65 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.4 | -41.7 | 178.9 | -80.5 | 173.8 | -34.9 | 0 | 0 | 112.9 | K501 V502 | Q499-K501 PolarHBondContact O-N 2.97Å; Q499-K501 VanDerWaalsContact O-N 3.11Å; Q499-V502 PolarHBondContact O-N 3.35Å; Q499-V502 VanDerWaalsContact O-N 3.14Å |
| 500 | I | 54.3 | Low | 47.8 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 53% | 0.533 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -20.5 | 179.2 | -63.3 | 177.8 | 0 | 0 | 0 | 112.7 | ||
| 501 | K | 49.2 | Very low | 47.2 | Very low | 140 Ų | 140 | 135.8 Ų | 135.8 | 61% | 0.609 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -11.3 | 178.5 | -80.3 | -176.1 | 173.9 | 179.3 | 0 | 115.1 | S498 Q499 N505 | S498-K501 PolarHBondContact O-N 3.47Å; Q499-K501 PolarHBondContact O-N 2.97Å; Q499-K501 VanDerWaalsContact O-N 3.11Å; K501-N505 PolarHBondContact O-ND2 3.43Å |
| 502 | V | 51.2 | Low | 46.2 | Very low | 96 Ų | 96 | 138 Ų | 138 | 58% | 0.582 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -43.1 | 174.3 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | Q499 Q504 N505 | Q499-V502 PolarHBondContact O-N 3.35Å; Q499-V502 VanDerWaalsContact O-N 3.14Å; V502-Q504 PolarHBondContact O-N 3.31Å; V502-Q504 VanDerWaalsContact O-N 3.16Å; V502-N505 PolarHBondContact O-N 3.09Å; V502-N505 VanDerWaalsContact O-N 3.15Å |
| 503 | E | 46.8 | Very low | 45.2 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -20.2 | -178.2 | -130.9 | 168.7 | -168.9 | 0 | 0 | 114.2 | ||
| 504 | Q | 45.8 | Very low | 44.3 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 66% | 0.659 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -0.1 | 177.8 | -68.4 | -170.4 | -15.2 | 0 | 0 | 115 | V502 | V502-Q504 PolarHBondContact O-N 3.31Å; V502-Q504 VanDerWaalsContact O-N 3.16Å |
| 505 | N | 46.3 | Very low | 43.9 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 62% | 0.62 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -10.1 | -175.7 | -78.7 | -55.4 | 0 | 0 | 0 | 115.1 | K501 V502 | K501-N505 PolarHBondContact O-ND2 3.43Å; V502-N505 PolarHBondContact O-N 3.09Å; V502-N505 VanDerWaalsContact O-N 3.15Å |
| 506 | E | 42.6 | Very low | 42.8 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -85.4 | -14.8 | 173.4 | -68.8 | -166.7 | 135.9 | 0 | 0 | 113.6 | R508 | E506-R508 VanDerWaalsContact C-N 3.35Å; E506-R508 PolarHBondContact O-N 3.49Å |
| 507 | E | 38.9 | Very low | 41.8 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 17.6 | -177.7 | -135.7 | 177.8 | -153.6 | 0 | 0 | 114.2 | ||
| 508 | R | 38.3 | Very low | 40.8 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 82% | 0.819 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 13.8 | -173.5 | -85 | -170.4 | 174.6 | -178.1 | 0.5 | 116.7 | E506 | E506-R508 VanDerWaalsContact C-N 3.35Å; E506-R508 PolarHBondContact O-N 3.49Å |
| 509 | L | 41 | Very low | 39.8 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -126.2 | 62.9 | -179 | -157.6 | 79.7 | 0 | 0 | 0 | 114.3 | ||||
| 510 | S | 35.7 | Very low | 38.7 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -166.8 | 64.7 | 164.5 | 39.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 511 | H | 34.6 | Very low | 38.1 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | trans | -150.1 | 112.2 | 159.7 | -110.7 | -61.5 | 0 | 0 | 0 | 114.8 | ||||
| 512 | D | 28.2 | Very low | 37.2 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 168.8 | 150.8 | 158 | -101.2 | -15.7 | 0 | 0 | 0 | 105.9 | ||||
| 513 | C | 31.6 | Very low | 36.2 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | cis | -156.8 | 165.5 | -22.7 | -118.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 514 | E | 36.5 | Very low | 35.6 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | cis | -145 | -174.7 | 6.9 | -125.3 | -133.9 | 116 | 0 | 0 | 108.5 | ||||
| 515 | P | 43.5 | Very low | 34.9 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 58% | 0.584 | 79% | 0.787 | S | S | * | * | trans | -100.6 | 170.7 | -159.4 | 40.2 | -37.9 | 0 | 0 | 0 | 116.2 | ||||
| 516 | N | 30.1 | Very low | 34.1 | Very low | 172 Ų | 172 | 147.4 Ų | 147.4 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -151.8 | 163.6 | 140.8 | -109.8 | -56.1 | 0 | 0 | 0 | 113.1 | ||||
| 517 | R | 31 | Very low | 33.5 | Very low | 226 Ų | 226 | 145.4 Ų | 145.4 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -116.8 | 142.6 | -139.7 | -171.5 | -166.7 | -138.8 | -144 | 7.9 | 115.5 | ||||
| 518 | S | 29.6 | Very low | 33 | Very low | 99 Ų | 99 | 146 Ų | 146 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | 135.8 | 109.1 | 145.4 | -59.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 519 | T | 29 | Very low | 32.7 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | 66.9 | 114.4 | 81.8 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 520 | M | 29.1 | Very low | 32.1 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | cis | -154 | -167.1 | 26.1 | -140.9 | 175.7 | 79.1 | 0 | 0 | 112.6 | ||||
| 521 | P | 40 | Very low | 31.8 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | -97.1 | 171.7 | -122.2 | 43.2 | -30.6 | 0 | 0 | 0 | 116.9 | |||||
| 522 | P | 30.7 | Very low | 31.6 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -140.8 | 155.5 | 119.8 | 37.6 | -25.4 | 0 | 0 | 0 | 116.2 | |||||
| 523 | L | 30.6 | Very low | 31.7 | Very low | 167 Ų | 167 | 146.3 Ų | 146.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -95.2 | 169.1 | 164.1 | -70.6 | 156.6 | 0 | 0 | 0 | 109.6 | ||||
| 524 | P | 34.7 | Very low | 31.5 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | -119.5 | 152.3 | -68 | 35.8 | -21.9 | 0 | 0 | 0 | 111.9 | |||||
| 525 | P | 31.6 | Very low | 31.2 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -81.7 | 126.1 | 170.7 | -5.6 | 23.8 | 0 | 0 | 0 | 111.1 | T527 | P525-T527 PolarHBondContact O-N 2.92Š| ||
| 526 | S | 28.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 146.3 Ų | 146.3 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -75.7 | 116.9 | 172.6 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | F528 | S526-F528 PolarHBondContact O-N 2.87Š| ||
| 527 | T | 29.4 | Very low | 30.9 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -73.9 | 110.5 | 175.8 | 39 | 0 | 0 | 0 | 0 | 111.7 | P525 | P525-T527 PolarHBondContact O-N 2.92Š| ||
| 528 | F | 28.6 | Very low | 30.9 | Very low | 196 Ų | 196 | 136.8 Ų | 136.8 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 119.2 | 162 | -95.1 | -91.1 | 0 | 0 | 0 | 110.2 | S526 | S526-F528 PolarHBondContact O-N 2.87Š|
| 529 | Q | 32.7 | Very low | 31.4 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 124.4 | 168.2 | -68.5 | -177.4 | -2.8 | 0 | 0 | 109.6 | K531 | Q529-K531 PolarHBondContact O-N 2.85Š|
| 530 | A | 27.8 | Very low | 31.7 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 116.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 531 | K | 30 | Very low | 32.1 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -109.4 | 113.3 | 166.9 | -122.5 | 179.2 | -178.4 | 179.4 | 0 | 107.6 | Q529 M533 | Q529-K531 PolarHBondContact O-N 2.85Å; K531-M533 PolarHBondContact O-N 3.29Å | ||
| 532 | E | 29.9 | Very low | 31.7 | Very low | 195 Ų | 195 | 133.2 Ų | 133.2 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | trans | -69.1 | 123.6 | 167.2 | -71 | -173.9 | 136.7 | 0 | 0 | 108.9 | ||||
| 533 | M | 30.5 | Very low | 31.9 | Very low | 179 Ų | 179 | 132.6 Ų | 132.6 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -145 | 118.3 | 160.1 | -122.2 | 168.7 | 170.1 | 0 | 0 | 108.6 | K531 | K531-M533 PolarHBondContact O-N 3.29Š| ||
| 534 | T | 28.3 | Very low | 31.9 | Very low | 138 Ų | 138 | 132 Ų | 132 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -50 | 126.4 | 178.7 | 44.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 535 | S | 29.4 | Very low | 32.4 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 134.5 | 159.7 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 536 | P | 36.9 | Very low | 32.4 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 142.5 | 151.3 | -10.6 | 28.2 | 0 | 0 | 0 | 110.8 | ||
| 537 | L | 30.1 | Very low | 32.8 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 48% | 0.476 | 73% | 0.726 | S | S | . | * | trans | -7 | 141.2 | 135.6 | -114.7 | 68.2 | 0 | 0 | 0 | 114.9 | Y419 V422 | Y419-L537 HydrophobicContact CD2-CD1 4.16Å; Y419-L537 HydrophobicContact CE2-CD1 3.75Å; Y419-L537 HydrophobicContact CE2-CG 4.43Å; V422-L537 HydrophobicContact CG1-CD1 4.41Å | ||
| 538 | V | 30.5 | Very low | 33.1 | Very low | 107 Ų | 107 | 131 Ų | 131 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | cis | -152.5 | 134.8 | 36.4 | 173.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 539 | S | 39.9 | Very low | 33.5 | Very low | 72 Ų | 72 | 126.9 Ų | 126.9 | 50% | 0.503 | 72% | 0.719 | S | S | . | * | trans | -93 | 138.2 | 143.2 | -64 | 0 | 0 | 0 | 0 | 108.6 | Y419 R423 | Y419-S539 PolarHBondContact OH-N 3.39Å; Y419-S539 PolarHBondContact OH-O 3.47Å; R423-S539 PolarHBondContact NH2-O 3.37Å | ||
| 540 | D | 35.3 | Very low | 33.5 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | -129.4 | 106.9 | 139.2 | -83.3 | -25.6 | 0 | 0 | 0 | 104.4 | R423 | R423-D540 IonicContact CZ-OD1 2.75Å; R423-D540 IonicContact NE-OD1 3.56Å; R423-D540 PolarHBondContact NE-OD1 3.11Å; R423-D540 IonicContact NH2-OD1 3.32Å | ||
| 541 | D | 38.3 | Very low | 34 | Very low | 80 Ų | 80 | 130 Ų | 130 | 43% | 0.428 | 72% | 0.723 | S | S | . | * | 69.7 | 114.4 | 73.3 | -87.8 | 40.1 | 0 | 0 | 0 | 113.4 | R423 | R423-D541 IonicContact CZ-OD1 2.66Å; R423-D541 IonicContact CZ-OD2 2.84Å; R423-D541 VanDerWaalsContact CZ-OD2 3.3Å; R423-D541 IonicContact NH1-OD1 3.35Å; R423-D541 PolarHBondContact NH1-OD1 3.49Å; R423-D541 IonicContact NH1-OD2 3.94Å; R423-D541 PolarHBondContact NH1-OD2 3.27Å; R423-D541 IonicContact NH2-OD1 2.8Å; R423-D541 PolarHBondContact NH2-OD1 3.26Å; R423-D541 IonicContact NH2-OD2 3.69Å | |||
| 542 | D | 31.4 | Very low | 34.8 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | S | Bend | -140.1 | 60 | 128.2 | -110.5 | -30.5 | 0 | 0 | 0 | 109.3 | F544 | D542-F544 WeakPolarHBondContact OD1-CD2 3.38Å; D542-F544 WeakPolarHBondContact OD1-CE2 3.27Å | |
| 543 | V | 34.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | trans | -113.7 | 81.4 | 158.2 | 179.1 | 0 | 0 | 0 | 0 | 106.6 | P545 | V543-P545 WeakPolarHBondContact O-CD 3.38Š| ||
| 544 | F | 31 | Very low | 35.9 | Very low | 155 Ų | 155 | 122.3 Ų | 122.3 | 68% | 0.68 | 71% | 0.705 | S | S | * | * | trans | -63.1 | 114.7 | 171.9 | -97.4 | -85.8 | 0 | 0 | 0 | 110.2 | D542 L546 | D542-F544 WeakPolarHBondContact OD1-CD2 3.38Å; D542-F544 WeakPolarHBondContact OD1-CE2 3.27Å; F544-L546 HydrophobicContact CB-CG 4.41Å; F544-L546 HydrophobicContact CD1-CD2 4.2Å; F544-L546 HydrophobicContact CD1-CG 4.5Å; F544-L546 PolarHBondContact O-N 3.19Å | ||
| 545 | P | 44.8 | Very low | 36.8 | Very low | 89 Ų | 89 | 118.2 Ų | 118.2 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | trans | -90.7 | 83.3 | 168.1 | 27.9 | -10.9 | 0 | 0 | 0 | 106.9 | V543 S547 | V543-P545 WeakPolarHBondContact O-CD 3.38Å; P545-S547 PolarHBondContact O-N 3.5Å | ||
| 546 | L | 31.3 | Very low | 38.5 | Very low | 140 Ų | 140 | 116.5 Ų | 116.5 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | -71.1 | 124.9 | 176.5 | -73.8 | 174.6 | 0 | 0 | 0 | 110.5 | F544 | F544-L546 HydrophobicContact CB-CG 4.41Å; F544-L546 HydrophobicContact CD1-CD2 4.2Å; F544-L546 HydrophobicContact CD1-CG 4.5Å; F544-L546 PolarHBondContact O-N 3.19Å | ||
| 547 | S | 38 | Very low | 40.1 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | trans | -44.6 | 154.1 | 159.6 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | P545 P549 | P545-S547 PolarHBondContact O-N 3.5Å; S547-P549 WeakPolarHBondContact O-CD 3.27Å; S547-P549 VanDerWaalsContact O-N 3.1Å | ||
| 548 | P | 36.3 | Very low | 41.7 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 83% | 0.831 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 118 | 178.6 | 24.4 | -34.7 | 0 | 0 | 0 | 110.6 | ||
| 549 | P | 35.8 | Very low | 43.6 | Very low | 109 Ų | 109 | 113.9 Ų | 113.9 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 146.5 | 167.4 | -8.9 | 26.8 | 0 | 0 | 0 | 108.8 | S547 M551 | S547-P549 WeakPolarHBondContact O-CD 3.27Å; S547-P549 VanDerWaalsContact O-N 3.1Å; P549-M551 PolarHBondContact O-N 3.21Å |
| 550 | D | 33.3 | Very low | 45.5 | Very low | 153 Ų | 153 | 115.2 Ų | 115.2 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 137.6 | 170 | -73.5 | -61.5 | 0 | 0 | 0 | 111.1 | S552 | D550-S552 PolarHBondContact O-N 3.2Š|
| 551 | M | 37.2 | Very low | 47.6 | Very low | 195 Ų | 195 | 115.5 Ų | 115.5 | 96% | 0.961 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -68.8 | 91.1 | -176.9 | -71.7 | -148.3 | -59.5 | 0 | 0 | 112 | P549 | P549-M551 PolarHBondContact O-N 3.21Š|
| 552 | S | 47.2 | Very low | 49.9 | Very low | 90 Ų | 90 | 117.4 Ų | 117.4 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | trans | -163 | 42.5 | 170.9 | 55.5 | 0 | 0 | 0 | 0 | 116.8 | D550 | D550-S552 PolarHBondContact O-N 3.2Š| ||
| 553 | F | 36.8 | Very low | 52.5 | Low | 197 Ų | 197 | 115.9 Ų | 115.9 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -131.2 | 144.1 | 159.4 | -79 | -72.6 | 0 | 0 | 0 | 112.2 | ||
| 554 | P | 46.8 | Very low | 55 | Low | 114 Ų | 114 | 115.2 Ų | 115.2 | 74% | 0.74 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 134.7 | -159.1 | 27.8 | -34.6 | 0 | 0 | 0 | 111.8 | S556 | P554-S556 PolarHBondContact O-N 3.22Š|
| 555 | A | 48.4 | Very low | 57.9 | Low | 53 Ų | 53 | 110.5 Ų | 110.5 | 44% | 0.438 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -51.8 | 141.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | L557 A559 | A555-L557 PolarHBondContact O-N 3.21Å; A555-A559 HydrophobicContact CB-CB 4.34Å |
| 556 | S | 64.8 | Low | 60 | Low | 79 Ų | 79 | 110.2 Ų | 110.2 | 55% | 0.552 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 144.2 | 177.3 | 68.7 | 0 | 0 | 0 | 0 | 109.9 | P554 A558 A559 Q560 | P554-S556 PolarHBondContact O-N 3.22Å; S556-A558 CarbonylContact O-C 3.55Å; S556-A558 PolarHBondContact O-N 3.03Å; S556-A559 WeakPolarHBondContact O-CA 3.47Å; S556-A559 WeakPolarHBondContact O-CB 3.42Å; S556-A559 PolarHBondContact O-N 3.34Å; S556-A559 WeakPolarHBondContact OG-CB 3.18Å; S556-A559 PolarHBondContact OG-N 2.87Å; S556-Q560 PolarHBondContact O-N 3.23Å |
| 557 | L | 70.1 | Confident | 62.8 | Low | 147 Ų | 147 | 108.2 Ų | 108.2 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -51.2 | -35.5 | -174 | -166.6 | 77.1 | 0 | 0 | 0 | 112.4 | A555 H561 | A555-L557 PolarHBondContact O-N 3.21Å; L557-H561 WeakPolarHBondContact O-CB 3.33Å; L557-H561 PolarHBondContact O-N 2.95Å |
| 558 | A | 63.9 | Low | 65.4 | Low | 74 Ų | 74 | 108 Ų | 108 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.6 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S556 H561 F562 | S556-A558 CarbonylContact O-C 3.55Å; S556-A558 PolarHBondContact O-N 3.03Å; A558-H561 PolarHBondContact O-N 3.1Å; A558-F562 WeakPolarHBondContact O-CB 3.35Å; A558-F562 PolarHBondContact O-N 3.18Å |
| 559 | A | 70.6 | Confident | 68.1 | Low | 39 Ų | 39 | 107.5 Ų | 107.5 | 32% | 0.322 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.7 | -38.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A555 S556 F562 L563 | A555-A559 HydrophobicContact CB-CB 4.34Å; S556-A559 WeakPolarHBondContact O-CA 3.47Å; S556-A559 WeakPolarHBondContact O-CB 3.42Å; S556-A559 PolarHBondContact O-N 3.34Å; S556-A559 WeakPolarHBondContact OG-CB 3.18Å; S556-A559 PolarHBondContact OG-N 2.87Å; A559-F562 PolarHBondContact O-N 3.21Å; A559-L563 WeakPolarHBondContact O-CG 3.42Å; A559-L563 PolarHBondContact O-N 2.85Å |
| 560 | Q | 78.3 | Confident | 70.8 | Confident | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -42.6 | 174.9 | -168.2 | 176.4 | 12.8 | 0 | 0 | 111.7 | S556 L563 L564 | S556-Q560 PolarHBondContact O-N 3.23Å; Q560-L563 PolarHBondContact O-N 3.43Å; Q560-L564 HydrophobicContact CG-CD1 4.34Å; Q560-L564 WeakPolarHBondContact O-CG 3.11Å; Q560-L564 PolarHBondContact O-N 3.45Å |
| 561 | H | 79.9 | Confident | 73.6 | Confident | 128 Ų | 128 | 103.1 Ų | 103.1 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -38.7 | 174.3 | -170.5 | -59.9 | 0 | 0 | 0 | 112.2 | L557 A558 L564 E565 | L557-H561 WeakPolarHBondContact O-CB 3.33Å; L557-H561 PolarHBondContact O-N 2.95Å; A558-H561 PolarHBondContact O-N 3.1Å; H561-L564 PolarHBondContact O-N 3.35Å; H561-E565 PolarHBondContact O-N 3.43Å |
| 562 | F | 86.8 | Confident | 76.3 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 176.1 | -178.3 | -92.4 | 0 | 0 | 0 | 111.6 | A558 A559 L564 E565 E566 | A558-F562 WeakPolarHBondContact O-CB 3.35Å; A558-F562 PolarHBondContact O-N 3.18Å; A559-F562 PolarHBondContact O-N 3.21Å; F562-L564 PolarHBondContact O-N 3.37Å; F562-E565 PolarHBondContact O-N 3.11Å; F562-E566 HydrophobicContact CD1-CG 4.18Å; F562-E566 HydrophobicContact CE1-CG 3.69Å; F562-E566 HydrophobicContact CZ-CG 3.9Å; F562-E566 PolarHBondContact O-N 3.34Å |
| 563 | L | 85.8 | Confident | 78.5 | Confident | 109 Ų | 109 | 99.8 Ų | 99.8 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -39.1 | 177.8 | -69.8 | 171.2 | 0 | 0 | 0 | 112.4 | A559 Q560 E566 E567 | A559-L563 WeakPolarHBondContact O-CG 3.42Å; A559-L563 PolarHBondContact O-N 2.85Å; Q560-L563 PolarHBondContact O-N 3.43Å; L563-E566 PolarHBondContact O-N 3.44Å; L563-E567 WeakPolarHBondContact O-CB 3.48Å; L563-E567 PolarHBondContact O-N 3.12Å |
| 564 | L | 88.4 | Confident | 81.3 | Confident | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -38.7 | 175.7 | -74.6 | 168.7 | 0 | 0 | 0 | 112.7 | Q560 H561 F562 K568 | Q560-L564 HydrophobicContact CG-CD1 4.34Å; Q560-L564 WeakPolarHBondContact O-CG 3.11Å; Q560-L564 PolarHBondContact O-N 3.45Å; H561-L564 PolarHBondContact O-N 3.35Å; F562-L564 PolarHBondContact O-N 3.37Å; L564-K568 WeakPolarHBondContact O-CB 3.49Å; L564-K568 PolarHBondContact O-N 2.87Å |
| 565 | E | 90.3 | Very high | 83.5 | Confident | 57 Ų | 57 | 97.7 Ų | 97.7 | 27% | 0.266 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.2 | -34.7 | 176.3 | -166.8 | 62.7 | -147.3 | 0 | 0 | 111.6 | H561 F562 K568 R569 | H561-E565 PolarHBondContact O-N 3.43Å; F562-E565 PolarHBondContact O-N 3.11Å; E565-K568 PolarHBondContact O-N 3.19Å; E565-K568 IonicContact OE1-NZ 2.98Å; E565-K568 PolarHBondContact OE1-NZ 3.32Å; E565-K568 IonicContact OE2-NZ 3.75Å; E565-K568 PolarHBondContact OE2-NZ 2.82Å; E565-R569 WeakPolarHBondContact O-CB 3.2Å; E565-R569 WeakPolarHBondContact O-CG 3.1Å; E565-R569 PolarHBondContact O-N 3.02Å |
| 566 | E | 89.7 | Confident | 85.7 | Confident | 83 Ų | 83 | 100.8 Ų | 100.8 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 169.9 | -80.2 | -61.4 | 104.3 | 0 | 0 | 112.3 | F562 L563 K568 R569 A570 | F562-E566 HydrophobicContact CD1-CG 4.18Å; F562-E566 HydrophobicContact CE1-CG 3.69Å; F562-E566 HydrophobicContact CZ-CG 3.9Å; F562-E566 PolarHBondContact O-N 3.34Å; L563-E566 PolarHBondContact O-N 3.44Å; E566-K568 VanDerWaalsContact C-N 3.27Å; E566-K568 PolarHBondContact O-N 3.48Å; E566-R569 PolarHBondContact O-N 2.69Å; E566-R569 IonicContact OE1-CZ 2.57Å; E566-R569 IonicContact OE1-NE 3.54Å; E566-R569 PolarHBondContact OE1-NE 3.45Å; E566-R569 IonicContact OE1-NH2 3.54Å; E566-R569 PolarHBondContact OE1-NH2 3.22Å; E566-A570 WeakPolarHBondContact O-CB 3.47Å; E566-A570 PolarHBondContact O-N 3.1Å |
| 567 | E | 89.5 | Confident | 87.1 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 177.1 | -165.1 | -169.5 | 156.2 | 0 | 0 | 111.5 | L563 K571 | L563-E567 WeakPolarHBondContact O-CB 3.48Å; L563-E567 PolarHBondContact O-N 3.12Å; E567-K571 WeakPolarHBondContact O-CG 3.23Å; E567-K571 PolarHBondContact O-N 3.43Å; E567-K571 VanDerWaalsContact O-N 3.07Å; E567-K571 WeakPolarHBondContact OE1-CE 3.43Å; E567-K571 IonicContact OE1-NZ 3.34Å; E567-K571 PolarHBondContact OE1-NZ 3.2Å |
| 568 | K | 93.6 | Very high | 88.1 | Confident | 93 Ų | 93 | 98.2 Ų | 98.2 | 40% | 0.404 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -47.5 | 173 | 177.5 | 178.5 | 154.2 | -125.7 | 0 | 111.9 | L564 E565 E566 A570 K571 E572 | L564-K568 WeakPolarHBondContact O-CB 3.49Å; L564-K568 PolarHBondContact O-N 2.87Å; E565-K568 PolarHBondContact O-N 3.19Å; E565-K568 IonicContact OE1-NZ 2.98Å; E565-K568 PolarHBondContact OE1-NZ 3.32Å; E565-K568 IonicContact OE2-NZ 3.75Å; E565-K568 PolarHBondContact OE2-NZ 2.82Å; E566-K568 VanDerWaalsContact C-N 3.27Å; E566-K568 PolarHBondContact O-N 3.48Å; K568-A570 VanDerWaalsContact C-N 3.3Å; K568-A570 PolarHBondContact O-N 2.95Å; K568-K571 PolarHBondContact O-N 3.16Å; K568-E572 VanDerWaalsContact CE-OE1 3.27Å; K568-E572 WeakPolarHBondContact CE-OE1 3.48Å; K568-E572 WeakPolarHBondContact O-CG 3.29Å; K568-E572 PolarHBondContact O-N 3.24Å |
| 569 | R | 93.1 | Very high | 89.6 | Confident | 116 Ų | 116 | 98.1 Ų | 98.1 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.8 | -40.3 | 174.7 | -78.7 | -166.5 | -80.2 | -110.6 | 5.3 | 112 | E565 E566 E572 L573 | E565-R569 WeakPolarHBondContact O-CB 3.2Å; E565-R569 WeakPolarHBondContact O-CG 3.1Å; E565-R569 PolarHBondContact O-N 3.02Å; E566-R569 PolarHBondContact O-N 2.69Å; E566-R569 IonicContact OE1-CZ 2.57Å; E566-R569 IonicContact OE1-NE 3.54Å; E566-R569 PolarHBondContact OE1-NE 3.45Å; E566-R569 IonicContact OE1-NH2 3.54Å; E566-R569 PolarHBondContact OE1-NH2 3.22Å; R569-E572 PolarHBondContact O-N 3.06Å; R569-L573 WeakPolarHBondContact O-CB 3.24Å; R569-L573 PolarHBondContact O-N 2.98Å |
| 570 | A | 91.6 | Very high | 90.8 | Very high | 58 Ų | 58 | 101.3 Ų | 101.3 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E566 K568 L573 E574 | E566-A570 WeakPolarHBondContact O-CB 3.47Å; E566-A570 PolarHBondContact O-N 3.1Å; K568-A570 VanDerWaalsContact C-N 3.3Å; K568-A570 PolarHBondContact O-N 2.95Å; A570-L573 PolarHBondContact O-N 3.21Å; A570-E574 WeakPolarHBondContact O-CB 3.33Å; A570-E574 PolarHBondContact O-N 3.29Å |
| 571 | K | 92.8 | Very high | 91.5 | Very high | 113 Ų | 113 | 100 Ų | 100 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -36 | 176.7 | -74.5 | 166.4 | 176.7 | 169.3 | 0 | 113.3 | E567 K568 K575 | E567-K571 WeakPolarHBondContact O-CG 3.23Å; E567-K571 PolarHBondContact O-N 3.43Å; E567-K571 VanDerWaalsContact O-N 3.07Å; E567-K571 WeakPolarHBondContact OE1-CE 3.43Å; E567-K571 IonicContact OE1-NZ 3.34Å; E567-K571 PolarHBondContact OE1-NZ 3.2Å; K568-K571 PolarHBondContact O-N 3.16Å; K571-K575 WeakPolarHBondContact O-CB 3.28Å; K571-K575 PolarHBondContact O-N 3.42Å |
| 572 | E | 94.1 | Very high | 92.3 | Very high | 111 Ų | 111 | 97.8 Ų | 97.8 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 173.9 | -73.9 | 175.7 | -171.4 | 0 | 0 | 111.4 | K568 R569 K575 L576 | K568-E572 VanDerWaalsContact CE-OE1 3.27Å; K568-E572 WeakPolarHBondContact CE-OE1 3.48Å; K568-E572 WeakPolarHBondContact O-CG 3.29Å; K568-E572 PolarHBondContact O-N 3.24Å; R569-E572 PolarHBondContact O-N 3.06Å; E572-K575 PolarHBondContact O-N 3.34Å; E572-L576 PolarHBondContact O-N 2.98Å |
| 573 | L | 94 | Very high | 92.6 | Very high | 104 Ų | 104 | 97.4 Ų | 97.4 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 175 | -176.3 | 65.5 | 0 | 0 | 0 | 112.2 | R569 A570 K575 L576 L577 | R569-L573 WeakPolarHBondContact O-CB 3.24Å; R569-L573 PolarHBondContact O-N 2.98Å; A570-L573 PolarHBondContact O-N 3.21Å; L573-K575 VanDerWaalsContact C-N 3.34Å; L573-K575 PolarHBondContact O-N 3.4Å; L573-L576 PolarHBondContact O-N 2.83Å; L573-L577 HydrophobicContact CG-CD1 4.12Å; L573-L577 WeakPolarHBondContact O-CB 3.28Å; L573-L577 WeakPolarHBondContact O-CG 3.31Å; L573-L577 PolarHBondContact O-N 2.97Å |
| 574 | E | 93.9 | Very high | 93.1 | Very high | 114 Ų | 114 | 96.5 Ų | 96.5 | 53% | 0.533 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 174.9 | -175.9 | -174.7 | 179.1 | 0 | 0 | 111.1 | A570 L576 L577 N578 | A570-E574 WeakPolarHBondContact O-CB 3.33Å; A570-E574 PolarHBondContact O-N 3.29Å; E574-L576 VanDerWaalsContact C-N 3.34Å; E574-L576 PolarHBondContact O-N 2.84Å; E574-L577 PolarHBondContact O-N 3.44Å; E574-N578 WeakPolarHBondContact O-CB 3.21Å; E574-N578 VanDerWaalsContact O-CG 3.3Å; E574-N578 PolarHBondContact O-N 3.44Å; E574-N578 PolarHBondContact O-ND2 3.47Å |
| 575 | K | 93.4 | Very high | 93.2 | Very high | 152 Ų | 152 | 96.7 Ų | 96.7 | 66% | 0.661 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.2 | -38.9 | 176.6 | -172.2 | 178.2 | -179.8 | -177.4 | 0 | 112.4 | K571 E572 L573 T579 | K571-K575 WeakPolarHBondContact O-CB 3.28Å; K571-K575 PolarHBondContact O-N 3.42Å; E572-K575 PolarHBondContact O-N 3.34Å; L573-K575 VanDerWaalsContact C-N 3.34Å; L573-K575 PolarHBondContact O-N 3.4Å; K575-T579 WeakPolarHBondContact O-CB 3.44Å; K575-T579 PolarHBondContact O-N 3.37Å; K575-T579 PolarHBondContact O-OG1 3.44Å |
| 576 | L | 95.5 | Very high | 93.4 | Very high | 118 Ų | 118 | 100.7 Ų | 100.7 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.2 | -44.7 | 176.2 | -174.5 | 65.8 | 0 | 0 | 0 | 111.5 | E572 L573 E574 T579 H580 | E572-L576 PolarHBondContact O-N 2.98Å; L573-L576 PolarHBondContact O-N 2.83Å; E574-L576 VanDerWaalsContact C-N 3.34Å; E574-L576 PolarHBondContact O-N 2.84Å; L576-T579 PolarHBondContact O-N 2.78Å; L576-H580 PolarHBondContact O-N 3.18Å |
| 577 | L | 93.1 | Very high | 93.5 | Very high | 94 Ų | 94 | 102.4 Ų | 102.4 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -49.6 | 175 | -79.7 | 162.8 | 0 | 0 | 0 | 111.7 | L573 E574 T579 H580 I581 | L573-L577 HydrophobicContact CG-CD1 4.12Å; L573-L577 WeakPolarHBondContact O-CB 3.28Å; L573-L577 WeakPolarHBondContact O-CG 3.31Å; L573-L577 PolarHBondContact O-N 2.97Å; E574-L577 PolarHBondContact O-N 3.44Å; L577-T579 VanDerWaalsContact C-N 3.34Å; L577-T579 PolarHBondContact O-N 2.9Å; L577-H580 PolarHBondContact O-N 2.77Å; L577-H580 VanDerWaalsContact O-N 3.17Å; L577-I581 VanDerWaalsContact O-CG1 3.29Å; L577-I581 WeakPolarHBondContact O-CG1 3.37Å; L577-I581 PolarHBondContact O-N 2.96Å |
| 578 | N | 92.4 | Very high | 93.6 | Very high | 78 Ų | 78 | 101.5 Ų | 101.5 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 177.5 | -71.6 | -25.8 | 0 | 0 | 0 | 111.6 | E574 H580 I581 D582 | E574-N578 WeakPolarHBondContact O-CB 3.21Å; E574-N578 VanDerWaalsContact O-CG 3.3Å; E574-N578 PolarHBondContact O-N 3.44Å; E574-N578 PolarHBondContact O-ND2 3.47Å; N578-H580 VanDerWaalsContact C-N 3.31Å; N578-H580 PolarHBondContact O-N 3.13Å; N578-I581 PolarHBondContact O-N 3.37Å; N578-D582 VanDerWaalsContact O-CG 3.31Å; N578-D582 PolarHBondContact O-N 3.33Å |
| 579 | T | 95.5 | Very high | 93.5 | Very high | 73 Ų | 73 | 102.6 Ų | 102.6 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 175.9 | -54.4 | 0 | 0 | 0 | 0 | 111.9 | K575 L576 L577 E583 | K575-T579 WeakPolarHBondContact O-CB 3.44Å; K575-T579 PolarHBondContact O-N 3.37Å; K575-T579 PolarHBondContact O-OG1 3.44Å; L576-T579 PolarHBondContact O-N 2.78Å; L577-T579 VanDerWaalsContact C-N 3.34Å; L577-T579 PolarHBondContact O-N 2.9Å; T579-E583 PolarHBondContact O-N 2.82Å; T579-E583 VanDerWaalsContact O-N 3.1Å |
| 580 | H | 94.6 | Very high | 93.5 | Very high | 105 Ų | 105 | 103.5 Ų | 103.5 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 177.6 | -172 | 53.1 | 0 | 0 | 0 | 112.4 | L576 L577 N578 E583 L584 | L576-H580 PolarHBondContact O-N 3.18Å; L577-H580 PolarHBondContact O-N 2.77Å; L577-H580 VanDerWaalsContact O-N 3.17Å; N578-H580 VanDerWaalsContact C-N 3.31Å; N578-H580 PolarHBondContact O-N 3.13Å; H580-E583 PolarHBondContact O-N 2.81Å; H580-L584 WeakPolarHBondContact O-CB 3.35Å; H580-L584 WeakPolarHBondContact O-CG 3.3Å; H580-L584 PolarHBondContact O-N 3.4Å |
| 581 | I | 94.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 103 Ų | 103 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 173.3 | -69.5 | 164 | 0 | 0 | 0 | 110.4 | L577 N578 E583 L584 Q585 | L577-I581 VanDerWaalsContact O-CG1 3.29Å; L577-I581 WeakPolarHBondContact O-CG1 3.37Å; L577-I581 PolarHBondContact O-N 2.96Å; N578-I581 PolarHBondContact O-N 3.37Å; I581-E583 VanDerWaalsContact C-N 3.26Å; I581-E583 PolarHBondContact O-N 3.49Å; I581-L584 PolarHBondContact O-N 2.76Å; I581-Q585 HydrophobicContact CG2-CG 4.44Å; I581-Q585 WeakPolarHBondContact O-CB 3.34Å; I581-Q585 VanDerWaalsContact O-CG 3.32Å; I581-Q585 WeakPolarHBondContact O-CG 3.38Å; I581-Q585 PolarHBondContact O-N 2.89Å |
| 582 | D | 94.9 | Very high | 93.1 | Very high | 82 Ų | 82 | 103 Ų | 103 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -32.9 | 176.8 | -70.8 | -15.6 | 0 | 0 | 0 | 112.6 | N578 R586 | N578-D582 VanDerWaalsContact O-CG 3.31Å; N578-D582 PolarHBondContact O-N 3.33Å; D582-R586 WeakPolarHBondContact O-CB 3.3Å; D582-R586 WeakPolarHBondContact O-CG 3.39Å; D582-R586 PolarHBondContact O-N 3.46Å; D582-R586 PolarHBondContact O-NE 3.26Å |
| 583 | E | 95 | Very high | 92.7 | Very high | 112 Ų | 112 | 101.9 Ų | 101.9 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -74.4 | -42.4 | 176 | -173 | 165.6 | -134.8 | 0 | 0 | 112 | T579 H580 I581 Q585 R586 H587 | T579-E583 PolarHBondContact O-N 2.82Å; T579-E583 VanDerWaalsContact O-N 3.1Å; H580-E583 PolarHBondContact O-N 2.81Å; I581-E583 VanDerWaalsContact C-N 3.26Å; I581-E583 PolarHBondContact O-N 3.49Å; E583-Q585 VanDerWaalsContact C-N 3.34Å; E583-R586 PolarHBondContact O-N 2.88Å; E583-H587 WeakPolarHBondContact O-CB 3.38Å; E583-H587 PolarHBondContact O-N 3.38Å |
| 584 | L | 94.3 | Very high | 92.4 | Very high | 90 Ų | 90 | 102.5 Ų | 102.5 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 172.4 | -73.9 | 171.9 | 0 | 0 | 0 | 112.1 | H580 I581 H587 T588 | H580-L584 WeakPolarHBondContact O-CB 3.35Å; H580-L584 WeakPolarHBondContact O-CG 3.3Å; H580-L584 PolarHBondContact O-N 3.4Å; I581-L584 PolarHBondContact O-N 2.76Å; L584-H587 PolarHBondContact O-N 3.49Å; L584-T588 VanDerWaalsContact O-CB 3.31Å; L584-T588 WeakPolarHBondContact O-CB 3.25Å; L584-T588 PolarHBondContact O-N 2.9Å; L584-T588 PolarHBondContact O-OG1 3.17Å |
| 585 | Q | 91.1 | Very high | 91.7 | Very high | 107 Ų | 107 | 104.5 Ų | 104.5 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -50.8 | 173.8 | -74.2 | 179.5 | 12.4 | 0 | 0 | 110.7 | I581 E583 H587 T588 E589 | I581-Q585 HydrophobicContact CG2-CG 4.44Å; I581-Q585 WeakPolarHBondContact O-CB 3.34Å; I581-Q585 VanDerWaalsContact O-CG 3.32Å; I581-Q585 WeakPolarHBondContact O-CG 3.38Å; I581-Q585 PolarHBondContact O-N 2.89Å; E583-Q585 VanDerWaalsContact C-N 3.34Å; Q585-H587 VanDerWaalsContact C-N 3.32Å; Q585-H587 PolarHBondContact O-N 3.41Å; Q585-T588 CarbonylContact O-C 3.55Å; Q585-T588 WeakPolarHBondContact O-CB 3.18Å; Q585-T588 PolarHBondContact O-N 2.75Å; Q585-T588 VanDerWaalsContact O-N 3.11Å; Q585-E589 WeakPolarHBondContact O-CG 3.23Å; Q585-E589 PolarHBondContact O-N 2.93Å |
| 586 | R | 94 | Very high | 90.9 | Very high | 140 Ų | 140 | 100.5 Ų | 100.5 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.4 | -40.2 | 175.3 | -81.3 | 176.2 | -73.8 | 142.3 | -4.5 | 113 | D582 E583 F590 | D582-R586 WeakPolarHBondContact O-CB 3.3Å; D582-R586 WeakPolarHBondContact O-CG 3.39Å; D582-R586 PolarHBondContact O-N 3.46Å; D582-R586 PolarHBondContact O-NE 3.26Å; E583-R586 PolarHBondContact O-N 2.88Å; R586-F590 VanDerWaalsContact O-CB 3.23Å; R586-F590 WeakPolarHBondContact O-CB 3.22Å; R586-F590 PolarHBondContact O-N 3.46Å |
| 587 | H | 92.5 | Very high | 89.2 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.8 | -39.3 | 176.2 | -172.4 | -85.5 | 0 | 0 | 0 | 111.8 | E583 L584 Q585 T591 | E583-H587 WeakPolarHBondContact O-CB 3.38Å; E583-H587 PolarHBondContact O-N 3.38Å; L584-H587 PolarHBondContact O-N 3.49Å; Q585-H587 VanDerWaalsContact C-N 3.32Å; Q585-H587 PolarHBondContact O-N 3.41Å; H587-T591 VanDerWaalsContact O-CB 3.28Å; H587-T591 WeakPolarHBondContact O-CB 3.29Å; H587-T591 PolarHBondContact O-N 3.46Å; H587-T591 PolarHBondContact O-OG1 3.4Å |
| 588 | T | 92.5 | Very high | 87.4 | Confident | 78 Ų | 78 | 105 Ų | 105 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -47.3 | 175.2 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | L584 Q585 T591 L592 | L584-T588 VanDerWaalsContact O-CB 3.31Å; L584-T588 WeakPolarHBondContact O-CB 3.25Å; L584-T588 PolarHBondContact O-N 2.9Å; L584-T588 PolarHBondContact O-OG1 3.17Å; Q585-T588 CarbonylContact O-C 3.55Å; Q585-T588 WeakPolarHBondContact O-CB 3.18Å; Q585-T588 PolarHBondContact O-N 2.75Å; Q585-T588 VanDerWaalsContact O-N 3.11Å; T588-T591 WeakPolarHBondContact O-CB 3.39Å; T588-T591 PolarHBondContact O-N 2.99Å; T588-L592 HydrophobicContact CG2-CD1 3.99Å; T588-L592 HydrophobicContact CG2-CG 4.47Å; T588-L592 WeakPolarHBondContact O-CB 3.25Å; T588-L592 WeakPolarHBondContact O-CG 3.41Å; T588-L592 PolarHBondContact O-N 2.9Å |
| 589 | E | 91.4 | Very high | 85.1 | Confident | 116 Ų | 116 | 113.6 Ų | 113.6 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -42 | 175.7 | -73.6 | -173.9 | 169.9 | 0 | 0 | 112.7 | Q585 T591 L592 N593 | Q585-E589 WeakPolarHBondContact O-CG 3.23Å; Q585-E589 PolarHBondContact O-N 2.93Å; E589-T591 VanDerWaalsContact C-N 3.33Å; E589-L592 PolarHBondContact O-N 2.84Å; E589-N593 VanDerWaalsContact O-CB 3.25Å; E589-N593 WeakPolarHBondContact O-CB 3.26Å; E589-N593 PolarHBondContact O-N 2.77Å; E589-N593 PolarHBondContact O-ND2 2.74Å; E589-N593 VanDerWaalsContact O-ND2 3.1Å |
| 590 | F | 92.4 | Very high | 84.6 | Confident | 135 Ų | 135 | 115.6 Ų | 115.6 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.7 | -44.6 | 174.3 | 175.8 | -98.5 | 0 | 0 | 0 | 111.1 | R586 N593 K594 | R586-F590 VanDerWaalsContact O-CB 3.23Å; R586-F590 WeakPolarHBondContact O-CB 3.22Å; R586-F590 PolarHBondContact O-N 3.46Å; F590-N593 PolarHBondContact O-N 3.31Å; F590-K594 HydrophobicContact CE1-CD 4.49Å; F590-K594 VanDerWaalsContact O-CB 3.29Å; F590-K594 WeakPolarHBondContact O-CB 3.41Å; F590-K594 PolarHBondContact O-N 2.81Å |
| 591 | T | 89.9 | Confident | 84.1 | Confident | 48 Ų | 48 | 116.2 Ų | 116.2 | 29% | 0.294 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.6 | -50.1 | 177.1 | -59.9 | 0 | 0 | 0 | 0 | 110.6 | H587 T588 E589 N593 K594 Y595 | H587-T591 VanDerWaalsContact O-CB 3.28Å; H587-T591 WeakPolarHBondContact O-CB 3.29Å; H587-T591 PolarHBondContact O-N 3.46Å; H587-T591 PolarHBondContact O-OG1 3.4Å; T588-T591 WeakPolarHBondContact O-CB 3.39Å; T588-T591 PolarHBondContact O-N 2.99Å; E589-T591 VanDerWaalsContact C-N 3.33Å; T591-N593 PolarHBondContact O-N 2.86Å; T591-K594 WeakPolarHBondContact O-CB 3.23Å; T591-K594 PolarHBondContact O-N 2.94Å; T591-Y595 HydrophobicContact CG2-CD2 3.89Å; T591-Y595 HydrophobicContact CG2-CE2 3.86Å; T591-Y595 WeakPolarHBondContact O-CD2 3.43Å; T591-Y595 PolarHBondContact O-N 2.85Å; T591-Y595 VanDerWaalsContact O-N 3.1Å |
| 592 | L | 86.8 | Confident | 83.5 | Confident | 113 Ų | 113 | 118.5 Ų | 118.5 | 59% | 0.592 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59 | -46.8 | 177.2 | -73.7 | 170.4 | 0 | 0 | 0 | 111.7 | T588 E589 K594 Y595 S596 | T588-L592 HydrophobicContact CG2-CD1 3.99Å; T588-L592 HydrophobicContact CG2-CG 4.47Å; T588-L592 WeakPolarHBondContact O-CB 3.25Å; T588-L592 WeakPolarHBondContact O-CG 3.41Å; T588-L592 PolarHBondContact O-N 2.9Å; E589-L592 PolarHBondContact O-N 2.84Å; L592-K594 VanDerWaalsContact C-N 3.31Å; L592-K594 PolarHBondContact O-N 2.81Å; L592-Y595 PolarHBondContact O-N 3.4Å; L592-S596 VanDerWaalsContact O-CB 3.3Å; L592-S596 WeakPolarHBondContact O-CB 3.35Å; L592-S596 PolarHBondContact O-N 2.93Å; L592-S596 PolarHBondContact O-OG 2.92Å; L592-S596 VanDerWaalsContact O-OG 3.06Å |
| 593 | N | 86.1 | Confident | 82.8 | Confident | 87 Ų | 87 | 120.6 Ų | 120.6 | 47% | 0.465 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.8 | -31.7 | 177.2 | -83 | -49.3 | 0 | 0 | 0 | 113.5 | E589 F590 T591 S596 K597 | E589-N593 VanDerWaalsContact O-CB 3.25Å; E589-N593 WeakPolarHBondContact O-CB 3.26Å; E589-N593 PolarHBondContact O-N 2.77Å; E589-N593 PolarHBondContact O-ND2 2.74Å; E589-N593 VanDerWaalsContact O-ND2 3.1Å; F590-N593 PolarHBondContact O-N 3.31Å; T591-N593 PolarHBondContact O-N 2.86Å; N593-S596 WeakPolarHBondContact CA-OG 3.29Å; N593-S596 PolarHBondContact O-OG 3.11Å; N593-K597 WeakPolarHBondContact O-CB 3.43Å; N593-K597 WeakPolarHBondContact O-CG 3.44Å; N593-K597 PolarHBondContact O-N 2.79Å |
| 594 | K | 86.2 | Confident | 82.1 | Confident | 116 Ų | 116 | 121.2 Ų | 121.2 | 50% | 0.504 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.4 | -40.7 | 174.6 | -175.9 | -178.8 | 179.8 | -176.1 | 0 | 111.4 | F590 T591 L592 L598 | F590-K594 HydrophobicContact CE1-CD 4.49Å; F590-K594 VanDerWaalsContact O-CB 3.29Å; F590-K594 WeakPolarHBondContact O-CB 3.41Å; F590-K594 PolarHBondContact O-N 2.81Å; T591-K594 WeakPolarHBondContact O-CB 3.23Å; T591-K594 PolarHBondContact O-N 2.94Å; L592-K594 VanDerWaalsContact C-N 3.31Å; L592-K594 PolarHBondContact O-N 2.81Å; K594-L598 WeakPolarHBondContact O-CD1 3.42Å |
| 595 | Y | 79.5 | Confident | 81.3 | Confident | 156 Ų | 156 | 123.3 Ų | 123.3 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -88.3 | -22.5 | -178.8 | -69.7 | -69.9 | 0 | 0 | 0 | 114.2 | T591 L592 L598 | T591-Y595 HydrophobicContact CG2-CD2 3.89Å; T591-Y595 HydrophobicContact CG2-CE2 3.86Å; T591-Y595 WeakPolarHBondContact O-CD2 3.43Å; T591-Y595 PolarHBondContact O-N 2.85Å; T591-Y595 VanDerWaalsContact O-N 3.1Å; L592-Y595 PolarHBondContact O-N 3.4Å; Y595-L598 PolarHBondContact O-N 2.74Å |
| 596 | S | 76.3 | Confident | 80.5 | Confident | 69 Ų | 69 | 124.4 Ų | 124.4 | 48% | 0.483 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -77.5 | -26 | 174.7 | 65.8 | 0 | 0 | 0 | 0 | 113.4 | L592 N593 L598 | L592-S596 VanDerWaalsContact O-CB 3.3Å; L592-S596 WeakPolarHBondContact O-CB 3.35Å; L592-S596 PolarHBondContact O-N 2.93Å; L592-S596 PolarHBondContact O-OG 2.92Å; L592-S596 VanDerWaalsContact O-OG 3.06Å; N593-S596 WeakPolarHBondContact CA-OG 3.29Å; N593-S596 PolarHBondContact O-OG 3.11Å; S596-L598 VanDerWaalsContact C-N 3.26Å; S596-L598 PolarHBondContact O-N 2.94Å |
| 597 | K | 60.3 | Low | 79.5 | Confident | 166 Ų | 166 | 123.2 Ų | 123.2 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 2.4 | 171.6 | -70.3 | -179.9 | -179.9 | -178.9 | 0 | 114.6 | N593 | N593-K597 WeakPolarHBondContact O-CB 3.43Å; N593-K597 WeakPolarHBondContact O-CG 3.44Å; N593-K597 PolarHBondContact O-N 2.79Å |
| 598 | L | 56 | Low | 78.4 | Confident | 141 Ų | 141 | 123.5 Ų | 123.5 | 74% | 0.738 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | 17 | 174.6 | -101.9 | 83.1 | 0 | 0 | 0 | 113 | K594 Y595 S596 | K594-L598 WeakPolarHBondContact O-CD1 3.42Å; Y595-L598 PolarHBondContact O-N 2.74Å; S596-L598 VanDerWaalsContact C-N 3.26Å; S596-L598 PolarHBondContact O-N 2.94Å |
| 599 | K | 43.8 | Very low | 77.2 | Confident | 257 Ų | 257 | 127.6 Ų | 127.6 | 100% | 1.117 | 61% | 0.606 | S | S | * | * | trans | -114.9 | 0 | 164.3 | -82.2 | -174.5 | 174.1 | -179.8 | 0 | 109.8 |
Retrieved 599 of 599 residues in 461.4 ms
(Link to these results)