| 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 | 40.4 | Very low | 43.5 | Very low | 243 Ų | 243 | 148.5 Ų | 148.5 | 100% | 1.197 | 87% | 0.874 | S | S | * | * | 0 | 117.7 | 0 | -84.4 | 163.5 | 150.8 | 0 | 0 | 107.8 | |||||
| 2 | K | 44.2 | Very low | 43.7 | Very low | 213 Ų | 213 | 142.4 Ų | 142.4 | 93% | 0.926 | 85% | 0.852 | S | S | * | * | trans | 47.1 | 114.3 | 164.3 | -81.8 | 173.8 | 163 | 178.3 | 0 | 117.4 | ||||
| 3 | G | 38.7 | Very low | 43.8 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 86% | 0.856 | 85% | 0.851 | S | S | * | * | cis | 77.7 | 124.7 | 39.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | G | 42.7 | Very low | 44 | Very low | 67 Ų | 67 | 143.4 Ų | 143.4 | 69% | 0.691 | 85% | 0.854 | S | S | * | * | cis | 178.9 | 167.7 | 4.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 5 | E | 46.7 | Very low | 44.7 | Very low | 202 Ų | 202 | 143.7 Ų | 143.7 | 94% | 0.944 | 85% | 0.849 | S | S | * | * | trans | 42.4 | 124.5 | 152.1 | -73.4 | 153.7 | 89.2 | 0 | 0 | 122.5 | ||||
| 6 | G | 44.4 | Very low | 45.1 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | 102.6 | 145.4 | 107 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 7 | D | 40.5 | Very low | 44.9 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | cis | -166.7 | 166.2 | 27.7 | -176.6 | 26.6 | 0 | 0 | 0 | 109.1 | ||||
| 8 | T | 51.6 | Low | 45.3 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 83% | 0.829 | S | S | * | * | trans | -79.3 | 121.3 | -175.6 | -48.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | G | 39.7 | Very low | 45.5 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | trans | -122 | 91.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q11 | G9-Q11 PolarHBondContact O-N 3.12Š| ||
| 10 | E | 44.5 | Very low | 45.6 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -47.5 | 108.6 | 167.7 | -167.3 | 158.1 | 86.3 | 0 | 0 | 111.2 | A12 | E10-A12 PolarHBondContact O-N 3.07Å; E10-A12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | Q | 44.7 | Very low | 45.9 | Very low | 193 Ų | 193 | 132.4 Ų | 132.4 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -79 | 94.7 | 172.6 | -79 | -177.4 | 13.8 | 0 | 0 | 109.1 | G9 | G9-Q11 PolarHBondContact O-N 3.12Š| ||
| 12 | A | 46.9 | Very low | 46.6 | Very low | 75 Ų | 75 | 123.9 Ų | 123.9 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | trans | -55.7 | 143.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E10 L14 | E10-A12 PolarHBondContact O-N 3.07Å; E10-A12 VanDerWaalsContact O-N 3.11Å; A12-L14 PolarHBondContact O-N 2.86Å | ||
| 13 | P | 44.8 | Very low | 47.1 | Very low | 128 Ų | 128 | 116 Ų | 116 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | -66.9 | 112 | 176.9 | 26.8 | -30.3 | 0 | 0 | 0 | 108.6 | N15 | P13-N15 PolarHBondContact O-N 3.46Š| ||
| 14 | L | 46.5 | Very low | 48 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | trans | -57 | 105.8 | 174.2 | -79 | 158.6 | 0 | 0 | 0 | 109 | A12 P16 | A12-L14 PolarHBondContact O-N 2.86Å; L14-P16 WeakPolarHBondContact O-CD 3.4Å | ||
| 15 | N | 54.9 | Low | 49.2 | Very low | 148 Ų | 148 | 114.6 Ų | 114.6 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | trans | -60.1 | 118.7 | 167.4 | -167.5 | -3 | 0 | 0 | 0 | 107.8 | P13 G17 | P13-N15 PolarHBondContact O-N 3.46Å; N15-G17 PolarHBondContact O-N 3.2Å; N15-G17 VanDerWaalsContact O-N 3.11Å | ||
| 16 | P | 50.7 | Low | 50.7 | Low | 111 Ų | 111 | 109.4 Ų | 109.4 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -71.4 | 113.8 | 179.2 | 27.2 | -29.1 | 0 | 0 | 0 | 108.5 | L14 A18 | L14-P16 WeakPolarHBondContact O-CD 3.4Å; P16-A18 PolarHBondContact O-N 2.8Å | ||
| 17 | G | 42.1 | Very low | 52.1 | Low | 71 Ų | 71 | 113.5 Ų | 113.5 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | -51.8 | 133.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N15 | N15-G17 PolarHBondContact O-N 3.2Å; N15-G17 VanDerWaalsContact O-N 3.11Å | ||
| 18 | A | 52.3 | Low | 53.9 | Low | 88 Ų | 88 | 115.2 Ų | 115.2 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -54.3 | 155.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P16 | P16-A18 PolarHBondContact O-N 2.8Š|
| 19 | D | 48.9 | Very low | 55.1 | Low | 160 Ų | 160 | 115.3 Ų | 115.3 | 86% | 0.856 | 69% | 0.69 | S | S | * | * | trans | 98.2 | 45.1 | 170 | -49 | -25.7 | 0 | 0 | 0 | 117.1 | ||||
| 20 | S | 46.9 | Very low | 57.2 | Low | 83 Ų | 83 | 119.7 Ų | 119.7 | 58% | 0.58 | 69% | 0.69 | S | S | * | * | trans | -134.4 | 113.6 | 150.8 | -131.4 | 0 | 0 | 0 | 0 | 110.8 | A22 G23 | S20-A22 PolarHBondContact O-N 3.29Å; S20-G23 PolarHBondContact O-N 2.78Å; S20-G23 VanDerWaalsContact O-N 3.13Å | ||
| 21 | P | 51.9 | Low | 59.1 | Low | 113 Ų | 113 | 113.7 Ų | 113.7 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -59.5 | -23.7 | -179.3 | 21.1 | -29.7 | 0 | 0 | 0 | 112.2 | S24 A25 | P21-S24 PolarHBondContact O-OG 3.27Å; P21-A25 PolarHBondContact O-N 3.07Å |
| 22 | A | 54.1 | Low | 60.9 | Low | 64 Ų | 64 | 109.9 Ų | 109.9 | 53% | 0.529 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.4 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S20 A25 T26 | S20-A22 PolarHBondContact O-N 3.29Å; A22-A25 WeakPolarHBondContact O-CB 3.36Å; A22-A25 PolarHBondContact O-N 3.24Å; A22-T26 PolarHBondContact O-N 3.15Å; A22-T26 PolarHBondContact O-OG1 3.3Å; A22-T26 VanDerWaalsContact O-OG1 3.08Å |
| 23 | G | 55.4 | Low | 62.7 | Low | 46 Ų | 46 | 115.7 Ų | 115.7 | 47% | 0.474 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -70.6 | -34.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | S20 A25 T26 Y27 | S20-G23 PolarHBondContact O-N 2.78Å; S20-G23 VanDerWaalsContact O-N 3.13Å; G23-A25 VanDerWaalsContact C-N 3.33Å; G23-T26 PolarHBondContact O-N 2.92Å; G23-Y27 PolarHBondContact O-N 3.34Å; G23-Y27 VanDerWaalsContact O-N 3.15Å |
| 24 | S | 58.2 | Low | 64.5 | Low | 70 Ų | 70 | 111.7 Ų | 111.7 | 49% | 0.49 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.5 | -35.8 | 173.8 | 81.4 | 0 | 0 | 0 | 0 | 112.1 | P21 R28 | P21-S24 PolarHBondContact O-OG 3.27Å; S24-R28 WeakPolarHBondContact O-CB 3.46Å; S24-R28 VanDerWaalsContact O-CG 3.26Å; S24-R28 WeakPolarHBondContact O-CG 3.38Å; S24-R28 PolarHBondContact O-N 2.95Å; S24-R28 VanDerWaalsContact O-N 3.11Å |
| 25 | A | 66.6 | Low | 66 | Low | 52 Ų | 52 | 109.8 Ų | 109.8 | 43% | 0.43 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.8 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P21 A22 G23 R28 E29 | P21-A25 PolarHBondContact O-N 3.07Å; A22-A25 WeakPolarHBondContact O-CB 3.36Å; A22-A25 PolarHBondContact O-N 3.24Å; G23-A25 VanDerWaalsContact C-N 3.33Å; A25-R28 PolarHBondContact O-N 3.5Å; A25-E29 VanDerWaalsContact O-CB 3.27Å; A25-E29 WeakPolarHBondContact O-CB 3.32Å; A25-E29 PolarHBondContact O-N 3.41Å |
| 26 | T | 78.4 | Confident | 67.4 | Low | 92 Ų | 92 | 107.3 Ų | 107.3 | 56% | 0.564 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67 | -40.2 | -179.2 | -45 | 0 | 0 | 0 | 0 | 113.2 | A22 G23 E29 F30 | A22-T26 PolarHBondContact O-N 3.15Å; A22-T26 PolarHBondContact O-OG1 3.3Å; A22-T26 VanDerWaalsContact O-OG1 3.08Å; G23-T26 PolarHBondContact O-N 2.92Å; T26-E29 PolarHBondContact O-N 3.37Å; T26-F30 WeakPolarHBondContact O-CB 3.34Å; T26-F30 PolarHBondContact O-N 3.39Å |
| 27 | Y | 74.3 | Confident | 68.7 | Low | 168 Ų | 168 | 108.2 Ų | 108.2 | 66% | 0.659 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.1 | -45.3 | 175.1 | 178.2 | -100.4 | 0 | 0 | 0 | 111.5 | G23 E29 F30 V31 | G23-Y27 PolarHBondContact O-N 3.34Å; G23-Y27 VanDerWaalsContact O-N 3.15Å; Y27-E29 PolarHBondContact O-N 3.06Å; Y27-F30 PolarHBondContact O-N 2.92Å; Y27-V31 HydrophobicContact CD1-CG2 4.13Å; Y27-V31 HydrophobicContact CD2-CG2 4.29Å; Y27-V31 HydrophobicContact CE1-CG2 3.69Å; Y27-V31 HydrophobicContact CE2-CG2 3.87Å; Y27-V31 HydrophobicContact CG-CG2 4.42Å; Y27-V31 VanDerWaalsContact O-CG2 3.32Å; Y27-V31 WeakPolarHBondContact O-CG2 3.46Å; Y27-V31 PolarHBondContact O-N 3.45Å |
| 28 | R | 77.7 | Confident | 70.5 | Confident | 193 Ų | 193 | 110.8 Ų | 110.8 | 73% | 0.728 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.5 | -38.7 | 175.9 | -73.7 | -176.8 | 80.7 | 96.1 | 2.4 | 111.5 | S24 A25 H32 | S24-R28 WeakPolarHBondContact O-CB 3.46Å; S24-R28 VanDerWaalsContact O-CG 3.26Å; S24-R28 WeakPolarHBondContact O-CG 3.38Å; S24-R28 PolarHBondContact O-N 2.95Å; S24-R28 VanDerWaalsContact O-N 3.11Å; A25-R28 PolarHBondContact O-N 3.5Å; R28-H32 WeakPolarHBondContact O-CB 3.47Å; R28-H32 PolarHBondContact O-N 2.97Å |
| 29 | E | 78 | Confident | 71.5 | Confident | 132 Ų | 132 | 110.8 Ų | 110.8 | 62% | 0.617 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.9 | -39.1 | 179.2 | -156.7 | 161.6 | -148.2 | 0 | 0 | 112 | A25 T26 Y27 H32 R33 | A25-E29 VanDerWaalsContact O-CB 3.27Å; A25-E29 WeakPolarHBondContact O-CB 3.32Å; A25-E29 PolarHBondContact O-N 3.41Å; T26-E29 PolarHBondContact O-N 3.37Å; Y27-E29 PolarHBondContact O-N 3.06Å; E29-H32 PolarHBondContact O-N 3.31Å; E29-R33 VanDerWaalsContact O-CB 3.25Å; E29-R33 WeakPolarHBondContact O-CB 3.43Å; E29-R33 PolarHBondContact O-N 3.46Å |
| 30 | F | 82.9 | Confident | 72.8 | Confident | 160 Ų | 160 | 104.4 Ų | 104.4 | 70% | 0.702 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.3 | -47.2 | 173.3 | -173.1 | -94 | 0 | 0 | 0 | 111.9 | T26 Y27 R33 G34 | T26-F30 WeakPolarHBondContact O-CB 3.34Å; T26-F30 PolarHBondContact O-N 3.39Å; Y27-F30 PolarHBondContact O-N 2.92Å; F30-R33 PolarHBondContact O-N 3.5Å; F30-G34 PolarHBondContact O-N 3.37Å |
| 31 | V | 84.6 | Confident | 74.2 | Confident | 70 Ų | 70 | 103.2 Ų | 103.2 | 42% | 0.424 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -41.3 | 177.1 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | Y27 R33 G34 Y35 | Y27-V31 HydrophobicContact CD1-CG2 4.13Å; Y27-V31 HydrophobicContact CD2-CG2 4.29Å; Y27-V31 HydrophobicContact CE1-CG2 3.69Å; Y27-V31 HydrophobicContact CE2-CG2 3.87Å; Y27-V31 HydrophobicContact CG-CG2 4.42Å; Y27-V31 VanDerWaalsContact O-CG2 3.32Å; Y27-V31 WeakPolarHBondContact O-CG2 3.46Å; Y27-V31 PolarHBondContact O-N 3.45Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.21Å; V31-G34 PolarHBondContact O-N 3.33Å; V31-Y35 VanDerWaalsContact O-CB 3.28Å; V31-Y35 WeakPolarHBondContact O-CB 3.49Å; V31-Y35 PolarHBondContact O-N 3.46Å |
| 32 | H | 82.5 | Confident | 75.2 | Confident | 113 Ų | 113 | 100 Ų | 100 | 52% | 0.523 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.3 | -172.1 | -98.3 | 0 | 0 | 0 | 111.5 | R28 E29 Y35 L36 | R28-H32 WeakPolarHBondContact O-CB 3.47Å; R28-H32 PolarHBondContact O-N 2.97Å; E29-H32 PolarHBondContact O-N 3.31Å; H32-Y35 PolarHBondContact O-N 3.32Å; H32-L36 WeakPolarHBondContact O-CB 3.25Å; H32-L36 WeakPolarHBondContact O-CG 3.29Å; H32-L36 PolarHBondContact O-N 2.88Å |
| 33 | R | 85 | Confident | 76.2 | Confident | 197 Ų | 197 | 99 Ų | 99 | 74% | 0.743 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.5 | -42.1 | 178.4 | -154.1 | 164.4 | -169.6 | -172.5 | 1.4 | 112 | E29 F30 V31 Y35 L36 D37 | E29-R33 VanDerWaalsContact O-CB 3.25Å; E29-R33 WeakPolarHBondContact O-CB 3.43Å; E29-R33 PolarHBondContact O-N 3.46Å; F30-R33 PolarHBondContact O-N 3.5Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.21Å; R33-Y35 VanDerWaalsContact C-N 3.35Å; R33-L36 PolarHBondContact O-N 3.03Å; R33-D37 WeakPolarHBondContact O-CB 3.06Å; R33-D37 PolarHBondContact O-N 3.47Å |
| 34 | G | 81.9 | Confident | 77 | Confident | 44 Ų | 44 | 102.9 Ų | 102.9 | 45% | 0.454 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F30 V31 D37 L38 | F30-G34 PolarHBondContact O-N 3.37Å; V31-G34 PolarHBondContact O-N 3.33Å; G34-D37 PolarHBondContact O-N 3.21Å; G34-L38 WeakPolarHBondContact O-CB 3.48Å; G34-L38 PolarHBondContact O-N 2.86Å |
| 35 | Y | 79.9 | Confident | 78 | Confident | 131 Ų | 131 | 102.6 Ų | 102.6 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 174.5 | -177.3 | -100.3 | 0 | 0 | 0 | 112.2 | V31 H32 R33 D37 L38 M39 | V31-Y35 VanDerWaalsContact O-CB 3.28Å; V31-Y35 WeakPolarHBondContact O-CB 3.49Å; V31-Y35 PolarHBondContact O-N 3.46Å; H32-Y35 PolarHBondContact O-N 3.32Å; R33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-D37 VanDerWaalsContact C-N 3.35Å; Y35-L38 PolarHBondContact O-N 3.36Å; Y35-M39 HydrophobicContact CD1-CG 4.05Å; Y35-M39 HydrophobicContact CE1-CE 3.73Å; Y35-M39 HydrophobicContact CE1-CG 3.73Å; Y35-M39 HydrophobicContact CE1-SD 4.28Å; Y35-M39 HydrophobicContact CE2-CG 4.23Å; Y35-M39 HydrophobicContact CG-CG 4.44Å; Y35-M39 VanDerWaalsContact O-CB 3.24Å; Y35-M39 WeakPolarHBondContact O-CB 3.23Å; Y35-M39 WeakPolarHBondContact O-CG 3.35Å; Y35-M39 PolarHBondContact O-N 3.21Å; Y35-M39 WeakPolarHBondContact OH-CE 3.34Å |
| 36 | L | 82.8 | Confident | 78.3 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 175.8 | -75.1 | 179.6 | 0 | 0 | 0 | 112.3 | H32 R33 G40 | H32-L36 WeakPolarHBondContact O-CB 3.25Å; H32-L36 WeakPolarHBondContact O-CG 3.29Å; H32-L36 PolarHBondContact O-N 2.88Å; R33-L36 PolarHBondContact O-N 3.03Å; L36-G40 PolarHBondContact O-N 3.32Å |
| 37 | D | 79.2 | Confident | 78 | Confident | 130 Ų | 130 | 104.7 Ų | 104.7 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.2 | -41.3 | 179.2 | -143.3 | 31 | 0 | 0 | 0 | 111.3 | R33 G34 Y35 G40 A41 | R33-D37 WeakPolarHBondContact O-CB 3.06Å; R33-D37 PolarHBondContact O-N 3.47Å; G34-D37 PolarHBondContact O-N 3.21Å; Y35-D37 VanDerWaalsContact C-N 3.35Å; D37-G40 PolarHBondContact O-N 3.04Å; D37-A41 WeakPolarHBondContact O-CB 3.31Å; D37-A41 PolarHBondContact O-N 2.82Å |
| 38 | L | 79.1 | Confident | 78.2 | Confident | 125 Ų | 125 | 99 Ų | 99 | 65% | 0.654 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -44.4 | 173.5 | -175.4 | 65.7 | 0 | 0 | 0 | 112 | G34 Y35 G40 A41 S42 | G34-L38 WeakPolarHBondContact O-CB 3.48Å; G34-L38 PolarHBondContact O-N 2.86Å; Y35-L38 PolarHBondContact O-N 3.36Å; L38-G40 VanDerWaalsContact C-N 3.35Å; L38-A41 PolarHBondContact O-N 2.9Å; L38-S42 WeakPolarHBondContact O-CB 3.03Å; L38-S42 PolarHBondContact O-N 2.96Å |
| 39 | M | 73.4 | Confident | 78 | Confident | 87 Ų | 87 | 93.7 Ų | 93.7 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 174 | -77.1 | -87.8 | -98 | 0 | 0 | 110.8 | Y35 S42 Q43 | Y35-M39 HydrophobicContact CD1-CG 4.05Å; Y35-M39 HydrophobicContact CE1-CE 3.73Å; Y35-M39 HydrophobicContact CE1-CG 3.73Å; Y35-M39 HydrophobicContact CE1-SD 4.28Å; Y35-M39 HydrophobicContact CE2-CG 4.23Å; Y35-M39 HydrophobicContact CG-CG 4.44Å; Y35-M39 VanDerWaalsContact O-CB 3.24Å; Y35-M39 WeakPolarHBondContact O-CB 3.23Å; Y35-M39 WeakPolarHBondContact O-CG 3.35Å; Y35-M39 PolarHBondContact O-N 3.21Å; Y35-M39 WeakPolarHBondContact OH-CE 3.34Å; M39-S42 PolarHBondContact O-N 3.02Å; M39-S42 PolarHBondContact O-OG 2.97Å; M39-Q43 VanDerWaalsContact O-CG 3.27Å; M39-Q43 WeakPolarHBondContact O-CG 3.38Å; M39-Q43 PolarHBondContact O-N 3.34Å |
| 40 | G | 76.1 | Confident | 77.8 | Confident | 26 Ų | 26 | 89.5 Ų | 89.5 | 27% | 0.268 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L36 D37 L38 S42 Q43 H44 | L36-G40 PolarHBondContact O-N 3.32Å; D37-G40 PolarHBondContact O-N 3.04Å; L38-G40 VanDerWaalsContact C-N 3.35Å; G40-S42 VanDerWaalsContact C-N 3.33Å; G40-S42 PolarHBondContact O-N 3.32Å; G40-Q43 PolarHBondContact O-N 2.82Å; G40-H44 PolarHBondContact O-CD2 3.37Å; G40-H44 PolarHBondContact O-N 3.23Å |
| 41 | A | 75.9 | Confident | 77.3 | Confident | 59 Ų | 59 | 90 Ų | 90 | 49% | 0.488 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D37 L38 Q43 H44 S45 | D37-A41 WeakPolarHBondContact O-CB 3.31Å; D37-A41 PolarHBondContact O-N 2.82Å; L38-A41 PolarHBondContact O-N 2.9Å; A41-Q43 PolarHBondContact O-N 3.31Å; A41-H44 PolarHBondContact O-N 3.35Å; A41-S45 PolarHBondContact O-N 2.94Å |
| 42 | S | 74 | Confident | 77.1 | Confident | 45 Ų | 45 | 94.9 Ų | 94.9 | 32% | 0.315 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 176.5 | 76.2 | 0 | 0 | 0 | 0 | 112 | L38 M39 G40 H44 S45 L46 | L38-S42 WeakPolarHBondContact O-CB 3.03Å; L38-S42 PolarHBondContact O-N 2.96Å; M39-S42 PolarHBondContact O-N 3.02Å; M39-S42 PolarHBondContact O-OG 2.97Å; G40-S42 VanDerWaalsContact C-N 3.33Å; G40-S42 PolarHBondContact O-N 3.32Å; S42-H44 PolarHBondContact O-N 3.26Å; S42-S45 PolarHBondContact O-N 3.43Å; S42-S45 PolarHBondContact O-OG 3.45Å; S42-L46 VanDerWaalsContact O-CG 3.31Å; S42-L46 WeakPolarHBondContact O-CG 2.98Å; S42-L46 PolarHBondContact O-N 2.84Å |
| 43 | Q | 73.6 | Confident | 76.9 | Confident | 44 Ų | 44 | 97.7 Ų | 97.7 | 21% | 0.206 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 177.4 | -72.4 | -72.8 | -27.6 | 0 | 0 | 112.3 | M39 G40 A41 L46 R47 N133 | M39-Q43 VanDerWaalsContact O-CG 3.27Å; M39-Q43 WeakPolarHBondContact O-CG 3.38Å; M39-Q43 PolarHBondContact O-N 3.34Å; G40-Q43 PolarHBondContact O-N 2.82Å; A41-Q43 PolarHBondContact O-N 3.31Å; Q43-L46 PolarHBondContact O-N 2.81Å; Q43-R47 WeakPolarHBondContact O-CB 3.45Å; Q43-R47 VanDerWaalsContact O-CG 3.25Å; Q43-R47 WeakPolarHBondContact O-CG 3.36Å; Q43-R47 PolarHBondContact O-N 2.98Å; Q43-N133 PolarHBondContact NE2-OD1 3.5Å |
| 44 | H | 72.7 | Confident | 76.5 | Confident | 127 Ų | 127 | 90.2 Ų | 90.2 | 59% | 0.588 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 174.8 | -76.3 | -71.2 | 0 | 0 | 0 | 112.1 | G40 A41 S42 R47 A48 | G40-H44 PolarHBondContact O-CD2 3.37Å; G40-H44 PolarHBondContact O-N 3.23Å; A41-H44 PolarHBondContact O-N 3.35Å; S42-H44 PolarHBondContact O-N 3.26Å; H44-R47 PolarHBondContact O-N 3.35Å; H44-A48 PolarHBondContact O-N 3.29Å |
| 45 | S | 79.4 | Confident | 76.4 | Confident | 63 Ų | 63 | 96 Ų | 96 | 44% | 0.441 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.1 | 77.4 | 0 | 0 | 0 | 0 | 112.3 | A41 S42 A48 L49 | A41-S45 PolarHBondContact O-N 2.94Å; S42-S45 PolarHBondContact O-N 3.43Å; S42-S45 PolarHBondContact O-OG 3.45Å; S45-A48 PolarHBondContact O-N 2.85Å; S45-L49 WeakPolarHBondContact O-CG 3.39Å; S45-L49 PolarHBondContact O-N 3.41Å |
| 46 | L | 73.5 | Confident | 76.6 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 50% | 0.497 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.7 | -68.9 | 175.3 | 0 | 0 | 0 | 111.9 | S42 Q43 L49 S50 | S42-L46 VanDerWaalsContact O-CG 3.31Å; S42-L46 WeakPolarHBondContact O-CG 2.98Å; S42-L46 PolarHBondContact O-N 2.84Å; Q43-L46 PolarHBondContact O-N 2.81Å; L46-L49 PolarHBondContact O-N 3.35Å; L46-S50 PolarHBondContact O-N 3.44Å; L46-S50 PolarHBondContact O-OG 2.85Å |
| 47 | R | 72.1 | Confident | 76.5 | Confident | 94 Ų | 94 | 90.8 Ų | 90.8 | 36% | 0.355 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 172.6 | -80.8 | 169.8 | -179.4 | -168.7 | -0.6 | 112.3 | Q43 H44 L49 S50 W51 L132 | Q43-R47 WeakPolarHBondContact O-CB 3.45Å; Q43-R47 VanDerWaalsContact O-CG 3.25Å; Q43-R47 WeakPolarHBondContact O-CG 3.36Å; Q43-R47 PolarHBondContact O-N 2.98Å; H44-R47 PolarHBondContact O-N 3.35Å; R47-L49 VanDerWaalsContact C-N 3.34Å; R47-L49 PolarHBondContact O-N 3.41Å; R47-S50 PolarHBondContact O-N 3.3Å; R47-S50 PolarHBondContact O-OG 3.05Å; R47-W51 WeakPolarHBondContact O-CB 3.47Å; R47-W51 PolarHBondContact O-N 3.29Å; R47-W51 VanDerWaalsContact O-N 3.11Å; R47-L132 HydrophobicContact CB-CD1 4.28Å; R47-L132 HydrophobicContact CG-CD1 3.17Å |
| 48 | A | 77.3 | Confident | 76.6 | Confident | 48 Ų | 48 | 90.2 Ų | 90.2 | 40% | 0.397 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H44 S45 R52 | H44-A48 PolarHBondContact O-N 3.29Å; S45-A48 PolarHBondContact O-N 2.85Å; A48-R52 WeakPolarHBondContact O-CG 3.37Å; A48-R52 PolarHBondContact O-N 3.32Å |
| 49 | L | 73.9 | Confident | 76.9 | Confident | 81 Ų | 81 | 86.5 Ų | 86.5 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.3 | -71.3 | 172.4 | 0 | 0 | 0 | 112.8 | S45 L46 R47 W51 R52 R53 | S45-L49 WeakPolarHBondContact O-CG 3.39Å; S45-L49 PolarHBondContact O-N 3.41Å; L46-L49 PolarHBondContact O-N 3.35Å; R47-L49 VanDerWaalsContact C-N 3.34Å; R47-L49 PolarHBondContact O-N 3.41Å; L49-W51 VanDerWaalsContact C-N 3.33Å; L49-R52 PolarHBondContact O-N 3.14Å; L49-R53 WeakPolarHBondContact O-CG 3.5Å; L49-R53 PolarHBondContact O-N 3.13Å |
| 50 | S | 73.9 | Confident | 77.5 | Confident | 44 Ų | 44 | 86.4 Ų | 86.4 | 31% | 0.308 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 177 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | L46 R47 R53 L54 | L46-S50 PolarHBondContact O-N 3.44Å; L46-S50 PolarHBondContact O-OG 2.85Å; R47-S50 PolarHBondContact O-N 3.3Å; R47-S50 PolarHBondContact O-OG 3.05Å; S50-R53 PolarHBondContact O-N 3.23Å; S50-L54 WeakPolarHBondContact O-CB 3.28Å; S50-L54 PolarHBondContact O-N 3.35Å |
| 51 | W | 73.3 | Confident | 77.9 | Confident | 170 Ų | 170 | 86 Ų | 86 | 64% | 0.644 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 174.7 | -165.7 | -95.9 | 0 | 0 | 0 | 112.9 | R47 L49 L54 Y55 | R47-W51 WeakPolarHBondContact O-CB 3.47Å; R47-W51 PolarHBondContact O-N 3.29Å; R47-W51 VanDerWaalsContact O-N 3.11Å; L49-W51 VanDerWaalsContact C-N 3.33Å; W51-L54 HydrophobicContact CE3-CD2 4.16Å; W51-L54 HydrophobicContact CZ3-CD2 4.32Å; W51-L54 WeakPolarHBondContact O-CB 3.29Å; W51-L54 PolarHBondContact O-N 3.1Å; W51-Y55 PolarHBondContact O-N 3.27Å |
| 52 | R | 80.4 | Confident | 78.4 | Confident | 173 Ų | 173 | 89.6 Ų | 89.6 | 65% | 0.653 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 175.1 | -74 | 176.5 | -177.5 | -176.2 | 1.8 | 112 | A48 L49 Y55 L56 | A48-R52 WeakPolarHBondContact O-CG 3.37Å; A48-R52 PolarHBondContact O-N 3.32Å; L49-R52 PolarHBondContact O-N 3.14Å; R52-Y55 PolarHBondContact O-N 3.19Å; R52-L56 WeakPolarHBondContact O-CB 3.46Å; R52-L56 VanDerWaalsContact O-CG 3.32Å; R52-L56 WeakPolarHBondContact O-CG 3.36Å; R52-L56 PolarHBondContact O-N 2.86Å |
| 53 | R | 77.5 | Confident | 79.2 | Confident | 173 Ų | 173 | 90 Ų | 90 | 65% | 0.653 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 176.1 | -74.8 | 177.8 | -169.9 | -93.7 | 0.7 | 111.3 | L49 S50 L56 S57 | L49-R53 WeakPolarHBondContact O-CG 3.5Å; L49-R53 PolarHBondContact O-N 3.13Å; S50-R53 PolarHBondContact O-N 3.23Å; R53-L56 PolarHBondContact O-N 3.04Å; R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 3.37Å; R53-S57 PolarHBondContact O-OG 2.92Å; R53-S57 VanDerWaalsContact O-OG 3.1Å |
| 54 | L | 76.6 | Confident | 79.8 | Confident | 39 Ų | 39 | 88.1 Ų | 88.1 | 20% | 0.204 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -55.4 | -52.1 | 175.2 | 167.6 | 64 | 0 | 0 | 0 | 111.7 | S50 W51 L56 S57 R58 I123 | S50-L54 WeakPolarHBondContact O-CB 3.28Å; S50-L54 PolarHBondContact O-N 3.35Å; W51-L54 HydrophobicContact CE3-CD2 4.16Å; W51-L54 HydrophobicContact CZ3-CD2 4.32Å; W51-L54 WeakPolarHBondContact O-CB 3.29Å; W51-L54 PolarHBondContact O-N 3.1Å; L54-L56 PolarHBondContact O-N 3.4Å; L54-S57 PolarHBondContact O-N 3.22Å; L54-R58 PolarHBondContact O-N 2.85Å; L54-I123 HydrophobicContact CD1-CB 4.47Å; L54-I123 HydrophobicContact CD1-CG2 3.01Å; L54-I123 HydrophobicContact CG-CG2 4.41Å |
| 55 | Y | 80.3 | Confident | 80.5 | Confident | 166 Ų | 166 | 84.8 Ų | 84.8 | 65% | 0.651 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64 | -41.2 | -179.2 | -161.5 | -92.5 | 0 | 0 | 0 | 112 | W51 R52 R58 A59 | W51-Y55 PolarHBondContact O-N 3.27Å; R52-Y55 PolarHBondContact O-N 3.19Å; Y55-R58 PolarHBondContact O-N 3.5Å; Y55-A59 WeakPolarHBondContact O-CB 3.4Å; Y55-A59 PolarHBondContact O-N 3.17Å |
| 56 | L | 82.6 | Confident | 81 | Confident | 103 Ų | 103 | 90.4 Ų | 90.4 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 175.1 | -76.5 | 173.2 | 0 | 0 | 0 | 112.5 | R52 R53 L54 R58 A59 K60 | R52-L56 WeakPolarHBondContact O-CB 3.46Å; R52-L56 VanDerWaalsContact O-CG 3.32Å; R52-L56 WeakPolarHBondContact O-CG 3.36Å; R52-L56 PolarHBondContact O-N 2.86Å; R53-L56 PolarHBondContact O-N 3.04Å; L54-L56 PolarHBondContact O-N 3.4Å; L56-R58 VanDerWaalsContact C-N 3.31Å; L56-R58 PolarHBondContact O-N 2.87Å; L56-A59 PolarHBondContact O-N 2.93Å; L56-K60 VanDerWaalsContact O-CB 3.29Å; L56-K60 WeakPolarHBondContact O-CB 3.27Å; L56-K60 WeakPolarHBondContact O-CG 3.26Å; L56-K60 PolarHBondContact O-N 3.31Å |
| 57 | S | 80.9 | Confident | 81.9 | Confident | 15 Ų | 15 | 89 Ų | 89 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 175.8 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | R53 L54 A59 K60 L61 | R53-S57 WeakPolarHBondContact O-CB 3.49Å; R53-S57 PolarHBondContact O-N 3.37Å; R53-S57 PolarHBondContact O-OG 2.92Å; R53-S57 VanDerWaalsContact O-OG 3.1Å; L54-S57 PolarHBondContact O-N 3.22Å; S57-A59 PolarHBondContact O-N 3.2Å; S57-K60 PolarHBondContact O-N 3.32Å; S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.48Å |
| 58 | R | 81.6 | Confident | 82.8 | Confident | 117 Ų | 117 | 84.6 Ų | 84.6 | 44% | 0.442 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 175 | -169.4 | 176.2 | 176.6 | 85.1 | -3.7 | 112.5 | L54 Y55 L56 K62 E124 | L54-R58 PolarHBondContact O-N 2.85Å; Y55-R58 PolarHBondContact O-N 3.5Å; L56-R58 VanDerWaalsContact C-N 3.31Å; L56-R58 PolarHBondContact O-N 2.87Å; R58-K62 PolarHBondContact O-N 3.16Å; R58-E124 IonicContact NH1-OE1 3.91Å |
| 59 | A | 86.1 | Confident | 83.4 | Confident | 48 Ų | 48 | 85.2 Ų | 85.2 | 40% | 0.397 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y55 L56 S57 L61 K62 A63 | Y55-A59 WeakPolarHBondContact O-CB 3.4Å; Y55-A59 PolarHBondContact O-N 3.17Å; L56-A59 PolarHBondContact O-N 2.93Å; S57-A59 PolarHBondContact O-N 3.2Å; A59-L61 PolarHBondContact O-N 2.87Å; A59-K62 PolarHBondContact O-N 3Å; A59-A63 WeakPolarHBondContact O-CB 3.46Å; A59-A63 PolarHBondContact O-N 2.93Å |
| 60 | K | 86.7 | Confident | 84.3 | Confident | 84 Ų | 84 | 85.7 Ų | 85.7 | 37% | 0.365 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 175.5 | -83.9 | 174 | 162.3 | 171.9 | 0 | 111.8 | L56 S57 K62 A63 S64 E148 W151 | L56-K60 VanDerWaalsContact O-CB 3.29Å; L56-K60 WeakPolarHBondContact O-CB 3.27Å; L56-K60 WeakPolarHBondContact O-CG 3.26Å; L56-K60 PolarHBondContact O-N 3.31Å; S57-K60 PolarHBondContact O-N 3.32Å; K60-K62 PolarHBondContact O-N 3.47Å; K60-A63 PolarHBondContact O-N 3.42Å; K60-S64 WeakPolarHBondContact O-CB 3.38Å; K60-S64 PolarHBondContact O-N 2.88Å; K60-E148 IonicContact NZ-OE1 2.99Å; K60-E148 PolarHBondContact NZ-OE1 2.98Å; K60-W151 HydrophobicContact CB-CH2 3.63Å; K60-W151 HydrophobicContact CB-CZ2 3.95Å; K60-W151 HydrophobicContact CB-CZ3 4.43Å; K60-W151 HydrophobicContact CD-CH2 3.7Å; K60-W151 HydrophobicContact CD-CZ3 3.81Å; K60-W151 HydrophobicContact CG-CH2 3.7Å; K60-W151 HydrophobicContact CG-CZ2 4.47Å; K60-W151 HydrophobicContact CG-CZ3 4.33Å |
| 61 | L | 84.1 | Confident | 85.1 | Confident | 19 Ų | 19 | 85.6 Ų | 85.6 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 179.2 | -69.1 | 172.8 | 0 | 0 | 0 | 112 | S57 A59 S64 S65 S116 L119 L120 I123 | S57-L61 WeakPolarHBondContact O-CG 3.49Å; S57-L61 PolarHBondContact O-N 3.48Å; A59-L61 PolarHBondContact O-N 2.87Å; L61-S64 PolarHBondContact O-N 2.95Å; L61-S65 WeakPolarHBondContact O-CB 3.38Å; L61-S65 PolarHBondContact O-N 2.84Å; L61-S116 WeakPolarHBondContact CD2-O 3.49Å; L61-S116 WeakPolarHBondContact CD2-OG 3.34Å; L61-L119 HydrophobicContact CD1-CB 4.49Å; L61-L119 HydrophobicContact CD2-CB 4.21Å; L61-L120 HydrophobicContact CD1-CB 4.49Å; L61-L120 HydrophobicContact CD1-CD1 4.14Å; L61-I123 HydrophobicContact CD1-CD1 4.01Å |
| 62 | K | 86.8 | Confident | 85.9 | Confident | 133 Ų | 133 | 78.3 Ų | 78.3 | 58% | 0.578 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.8 | -43 | 177 | -74.4 | -175.3 | 176.2 | -179.9 | 0 | 112.4 | R58 A59 K60 R66 | R58-K62 PolarHBondContact O-N 3.16Å; A59-K62 PolarHBondContact O-N 3Å; K60-K62 PolarHBondContact O-N 3.47Å; K62-R66 PolarHBondContact O-N 3.34Å; K62-R66 VanDerWaalsContact O-N 3.15Å |
| 63 | A | 88.9 | Confident | 86.4 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | A59 K60 S65 R66 T67 | A59-A63 WeakPolarHBondContact O-CB 3.46Å; A59-A63 PolarHBondContact O-N 2.93Å; K60-A63 PolarHBondContact O-N 3.42Å; A63-S65 VanDerWaalsContact C-N 3.33Å; A63-S65 PolarHBondContact O-N 3.06Å; A63-R66 PolarHBondContact O-N 2.86Å; A63-T67 WeakPolarHBondContact O-CB 3.28Å; A63-T67 VanDerWaalsContact O-CG2 3.31Å; A63-T67 WeakPolarHBondContact O-CG2 3.31Å; A63-T67 PolarHBondContact O-N 3.45Å; A63-T67 PolarHBondContact O-OG1 3.46Å |
| 64 | S | 87 | Confident | 87 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 3% | 0.028 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.4 | -42.7 | 177.1 | -166.6 | 0 | 0 | 0 | 0 | 112.2 | K60 L61 T67 S68 W151 | K60-S64 WeakPolarHBondContact O-CB 3.38Å; K60-S64 PolarHBondContact O-N 2.88Å; L61-S64 PolarHBondContact O-N 2.95Å; S64-T67 WeakPolarHBondContact CA-OG1 3.36Å; S64-T67 PolarHBondContact O-OG1 3.49Å; S64-T67 VanDerWaalsContact O-OG1 3.12Å; S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-OG 2.96Å; S64-W151 PolarHBondContact OG-NE1 3.04Å |
| 65 | S | 87.9 | Confident | 87.7 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.5 | -49.5 | -180 | 172.9 | 0 | 0 | 0 | 0 | 111.4 | L61 A63 T67 S68 A69 | L61-S65 WeakPolarHBondContact O-CB 3.38Å; L61-S65 PolarHBondContact O-N 2.84Å; A63-S65 VanDerWaalsContact C-N 3.33Å; A63-S65 PolarHBondContact O-N 3.06Å; S65-T67 PolarHBondContact O-N 3.29Å; S65-S68 PolarHBondContact O-N 3.44Å; S65-A69 WeakPolarHBondContact O-CB 3.36Å; S65-A69 PolarHBondContact O-N 3.21Å |
| 66 | R | 89.4 | Confident | 88.2 | Confident | 182 Ų | 182 | 64.6 Ų | 64.6 | 69% | 0.687 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.1 | -46.7 | 179.1 | -171.8 | -173.6 | -64.1 | 170.4 | -2.5 | 112.1 | K62 A63 A69 L70 | K62-R66 PolarHBondContact O-N 3.34Å; K62-R66 VanDerWaalsContact O-N 3.15Å; A63-R66 PolarHBondContact O-N 2.86Å; R66-A69 PolarHBondContact O-N 3.27Å; R66-L70 HydrophobicContact CG-CD1 4.12Å; R66-L70 VanDerWaalsContact O-CG 3.31Å; R66-L70 WeakPolarHBondContact O-CG 3.22Å; R66-L70 PolarHBondContact O-N 3.46Å |
| 67 | T | 91.5 | Very high | 88.6 | Confident | 64 Ų | 64 | 63.6 Ų | 63.6 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 112 | A63 S64 S65 A69 L70 L71 | A63-T67 WeakPolarHBondContact O-CB 3.28Å; A63-T67 VanDerWaalsContact O-CG2 3.31Å; A63-T67 WeakPolarHBondContact O-CG2 3.31Å; A63-T67 PolarHBondContact O-N 3.45Å; A63-T67 PolarHBondContact O-OG1 3.46Å; S64-T67 WeakPolarHBondContact CA-OG1 3.36Å; S64-T67 PolarHBondContact O-OG1 3.49Å; S64-T67 VanDerWaalsContact O-OG1 3.12Å; S65-T67 PolarHBondContact O-N 3.29Å; T67-A69 PolarHBondContact O-N 3.08Å; T67-L70 PolarHBondContact O-N 2.81Å; T67-L71 WeakPolarHBondContact O-CB 3.46Å; T67-L71 WeakPolarHBondContact O-CG 3.28Å; T67-L71 PolarHBondContact O-N 3.27Å |
| 68 | S | 91.3 | Very high | 89 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65 | -39.2 | 178 | -60.5 | 0 | 0 | 0 | 0 | 112.2 | S64 S65 S72 H109 | S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 2.84Å; S64-S68 PolarHBondContact O-OG 2.96Å; S65-S68 PolarHBondContact O-N 3.44Å; S68-S72 VanDerWaalsContact O-CB 3.25Å; S68-S72 WeakPolarHBondContact O-CB 3.4Å; S68-S72 PolarHBondContact O-N 2.8Å; S68-S72 VanDerWaalsContact O-N 3.08Å; S68-S72 PolarHBondContact O-OG 3.35Å; S68-H109 PolarHBondContact OG-ND1 2.92Å |
| 69 | A | 89.9 | Confident | 89.3 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 50% | 0.504 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S65 R66 T67 G73 | S65-A69 WeakPolarHBondContact O-CB 3.36Å; S65-A69 PolarHBondContact O-N 3.21Å; R66-A69 PolarHBondContact O-N 3.27Å; T67-A69 PolarHBondContact O-N 3.08Å; A69-G73 PolarHBondContact O-N 3.48Å |
| 70 | L | 92.5 | Very high | 89.4 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 48% | 0.482 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.4 | -49.9 | 179.4 | -70.2 | 174.2 | 0 | 0 | 0 | 112.1 | R66 T67 S72 G73 F74 | R66-L70 HydrophobicContact CG-CD1 4.12Å; R66-L70 VanDerWaalsContact O-CG 3.31Å; R66-L70 WeakPolarHBondContact O-CG 3.22Å; R66-L70 PolarHBondContact O-N 3.46Å; T67-L70 PolarHBondContact O-N 2.81Å; L70-S72 PolarHBondContact O-N 3.21Å; L70-G73 PolarHBondContact O-N 3.17Å; L70-F74 HydrophobicContact CB-CD2 4.33Å; L70-F74 HydrophobicContact CB-CE2 4.12Å; L70-F74 HydrophobicContact CD2-CE2 4.2Å; L70-F74 WeakPolarHBondContact O-CB 3.12Å; L70-F74 WeakPolarHBondContact O-CD2 3.47Å; L70-F74 WeakPolarHBondContact O-CG 3.17Å; L70-F74 PolarHBondContact O-N 3.23Å |
| 71 | L | 90.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 66.7 Ų | 66.7 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | -178.5 | -69.5 | 174.4 | 0 | 0 | 0 | 111.9 | T67 A75 F162 | T67-L71 WeakPolarHBondContact O-CB 3.46Å; T67-L71 WeakPolarHBondContact O-CG 3.28Å; T67-L71 PolarHBondContact O-N 3.27Å; L71-A75 WeakPolarHBondContact O-CB 3.24Å; L71-A75 PolarHBondContact O-N 3.41Å; L71-F162 HydrophobicContact CB-CD2 4.25Å; L71-F162 HydrophobicContact CD2-CD1 4.03Å; L71-F162 HydrophobicContact CD2-CD2 4.07Å; L71-F162 HydrophobicContact CD2-CE1 3.94Å; L71-F162 HydrophobicContact CD2-CE2 3.99Å; L71-F162 HydrophobicContact CD2-CG 4.09Å; L71-F162 HydrophobicContact CD2-CZ 3.92Å |
| 72 | S | 90.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 66.3 Ų | 66.3 | 11% | 0.112 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66 | -40.8 | 176.7 | -52.9 | 0 | 0 | 0 | 0 | 111.8 | S68 L70 M76 H109 | S68-S72 VanDerWaalsContact O-CB 3.25Å; S68-S72 WeakPolarHBondContact O-CB 3.4Å; S68-S72 PolarHBondContact O-N 2.8Å; S68-S72 VanDerWaalsContact O-N 3.08Å; S68-S72 PolarHBondContact O-OG 3.35Å; L70-S72 PolarHBondContact O-N 3.21Å; S72-M76 WeakPolarHBondContact O-CB 3.44Å; S72-M76 PolarHBondContact O-N 3.4Å; S72-H109 WeakPolarHBondContact OG-CB 3.34Å; S72-H109 PolarHBondContact OG-CD2 3.42Å |
| 73 | G | 91.6 | Very high | 89.2 | Confident | 32 Ų | 32 | 67.8 Ų | 67.8 | 33% | 0.33 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A69 L70 M76 V77 | A69-G73 PolarHBondContact O-N 3.48Å; L70-G73 PolarHBondContact O-N 3.17Å; G73-M76 PolarHBondContact O-N 2.79Å; G73-V77 VanDerWaalsContact O-CG2 3.3Å; G73-V77 WeakPolarHBondContact O-CG2 3.36Å; G73-V77 PolarHBondContact O-N 3.11Å |
| 74 | F | 91.4 | Very high | 88.6 | Confident | 131 Ų | 131 | 68.6 Ų | 68.6 | 58% | 0.575 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.1 | -42.2 | 177.7 | -72 | -54.6 | 0 | 0 | 0 | 112.6 | L70 V77 A78 | L70-F74 HydrophobicContact CB-CD2 4.33Å; L70-F74 HydrophobicContact CB-CE2 4.12Å; L70-F74 HydrophobicContact CD2-CE2 4.2Å; L70-F74 WeakPolarHBondContact O-CB 3.12Å; L70-F74 WeakPolarHBondContact O-CD2 3.47Å; L70-F74 WeakPolarHBondContact O-CG 3.17Å; L70-F74 PolarHBondContact O-N 3.23Å; F74-V77 PolarHBondContact O-N 3.2Å; F74-A78 WeakPolarHBondContact O-CB 3.4Å; F74-A78 PolarHBondContact O-N 2.87Å |
| 75 | A | 90.4 | Very high | 87.9 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 3% | 0.025 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L71 A78 M79 L105 F162 E165 | L71-A75 WeakPolarHBondContact O-CB 3.24Å; L71-A75 PolarHBondContact O-N 3.41Å; A75-A78 PolarHBondContact O-N 3.46Å; A75-M79 WeakPolarHBondContact O-CB 3.31Å; A75-M79 PolarHBondContact O-N 3.05Å; A75-L105 HydrophobicContact CB-CD1 4.22Å; A75-L105 HydrophobicContact CB-CD2 3.67Å; A75-F162 HydrophobicContact CB-CD2 4.16Å; A75-F162 HydrophobicContact CB-CE2 4.23Å; A75-E165 HydrophobicContact CB-CG 4.45Å |
| 76 | M | 90.7 | Very high | 86.8 | Confident | 97 Ų | 97 | 78 Ų | 78 | 48% | 0.478 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.7 | -174.9 | -178.2 | -67.5 | 0 | 0 | 112.1 | S72 G73 M79 V80 V106 | S72-M76 WeakPolarHBondContact O-CB 3.44Å; S72-M76 PolarHBondContact O-N 3.4Å; G73-M76 PolarHBondContact O-N 2.79Å; M76-M79 PolarHBondContact O-N 2.9Å; M76-V80 PolarHBondContact O-N 2.75Å; M76-V106 HydrophobicContact CE-CG1 4.49Å; M76-V106 HydrophobicContact CE-CG2 4.23Å |
| 77 | V | 91.3 | Very high | 85.6 | Confident | 83 Ų | 83 | 73 Ų | 73 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 174.9 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | G73 F74 M79 V80 E81 | G73-V77 VanDerWaalsContact O-CG2 3.3Å; G73-V77 WeakPolarHBondContact O-CG2 3.36Å; G73-V77 PolarHBondContact O-N 3.11Å; F74-V77 PolarHBondContact O-N 3.2Å; V77-M79 PolarHBondContact O-N 3.36Å; V77-V80 WeakPolarHBondContact O-CG2 3.47Å; V77-V80 PolarHBondContact O-N 3.38Å; V77-E81 HydrophobicContact CG1-CG 4.14Å; V77-E81 WeakPolarHBondContact O-CB 3.39Å; V77-E81 VanDerWaalsContact O-CG 3.28Å; V77-E81 WeakPolarHBondContact O-CG 3.34Å; V77-E81 PolarHBondContact O-N 2.91Å |
| 78 | A | 89 | Confident | 84.5 | Confident | 41 Ų | 41 | 74 Ų | 74 | 34% | 0.339 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F74 A75 V82 | F74-A78 WeakPolarHBondContact O-CB 3.4Å; F74-A78 PolarHBondContact O-N 2.87Å; A75-A78 PolarHBondContact O-N 3.46Å; A78-V82 PolarHBondContact O-N 2.91Å |
| 79 | M | 87.8 | Confident | 83.6 | Confident | 53 Ų | 53 | 82.8 Ų | 82.8 | 26% | 0.261 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 174.5 | 161.7 | 175.3 | -95.3 | 0 | 0 | 112.1 | A75 M76 V77 E81 V82 F98 T102 | A75-M79 WeakPolarHBondContact O-CB 3.31Å; A75-M79 PolarHBondContact O-N 3.05Å; M76-M79 PolarHBondContact O-N 2.9Å; V77-M79 PolarHBondContact O-N 3.36Å; M79-E81 VanDerWaalsContact C-N 3.3Å; M79-E81 PolarHBondContact O-N 3.07Å; M79-V82 PolarHBondContact O-N 3.17Å; M79-F98 HydrophobicContact CB-CZ 4.11Å; M79-F98 HydrophobicContact CE-CD1 4.21Å; M79-F98 HydrophobicContact CE-CE1 3.72Å; M79-F98 HydrophobicContact CE-CZ 3.95Å; M79-F98 HydrophobicContact CG-CE1 4.32Å; M79-F98 HydrophobicContact CG-CZ 4.17Å; M79-T102 HydrophobicContact CB-CG2 4.26Å; M79-T102 HydrophobicContact CE-CG2 3.64Å; M79-T102 WeakPolarHBondContact CE-OG1 3.28Å; M79-T102 HydrophobicContact SD-CG2 3.59Å; M79-T102 VanDerWaalsContact SD-CG2 3.59Å |
| 80 | V | 89.1 | Confident | 83.1 | Confident | 107 Ų | 107 | 81.2 Ų | 81.2 | 65% | 0.648 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -72.5 | -26.1 | -178.4 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | M76 V77 V82 | M76-V80 PolarHBondContact O-N 2.75Å; V77-V80 WeakPolarHBondContact O-CG2 3.47Å; V77-V80 PolarHBondContact O-N 3.38Å; V80-V82 VanDerWaalsContact C-N 3.28Å |
| 81 | E | 88.4 | Confident | 82.7 | Confident | 128 Ų | 128 | 79.8 Ų | 79.8 | 60% | 0.598 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -8.2 | 174 | -69.9 | -67.3 | 152.5 | 0 | 0 | 113.1 | V77 M79 Q83 | V77-E81 HydrophobicContact CG1-CG 4.14Å; V77-E81 WeakPolarHBondContact O-CB 3.39Å; V77-E81 VanDerWaalsContact O-CG 3.28Å; V77-E81 WeakPolarHBondContact O-CG 3.34Å; V77-E81 PolarHBondContact O-N 2.91Å; M79-E81 VanDerWaalsContact C-N 3.3Å; M79-E81 PolarHBondContact O-N 3.07Å; E81-Q83 PolarHBondContact O-N 3.35Å; E81-Q83 VanDerWaalsContact O-N 3.11Å |
| 82 | V | 84.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 82.7 Ų | 82.7 | 7% | 0.067 | 47% | 0.468 | C | S | . | . | trans | -76.5 | 101 | 174.1 | 116.5 | 0 | 0 | 0 | 0 | 108.6 | A78 M79 V80 L84 F98 V169 V172 K173 | A78-V82 PolarHBondContact O-N 2.91Å; M79-V82 PolarHBondContact O-N 3.17Å; V80-V82 VanDerWaalsContact C-N 3.28Å; V82-L84 HydrophobicContact CG1-CD1 3.78Å; V82-F98 HydrophobicContact CG1-CE1 3.92Å; V82-F98 HydrophobicContact CG1-CZ 4.02Å; V82-V169 HydrophobicContact CG2-CG1 4.25Å; V82-V172 HydrophobicContact CG1-CG1 4.26Å; V82-V172 HydrophobicContact CG2-CG1 4.22Å; V82-K173 HydrophobicContact CG2-CG 4.49Å | ||
| 83 | Q | 78.9 | Confident | 82.3 | Confident | 163 Ų | 163 | 84.4 Ų | 84.4 | 76% | 0.762 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -82.4 | 117.9 | 171.6 | -60.3 | -154.7 | 31.3 | 0 | 0 | 109.3 | E81 | E81-Q83 PolarHBondContact O-N 3.35Å; E81-Q83 VanDerWaalsContact O-N 3.11Å |
| 84 | L | 76.3 | Confident | 82.1 | Confident | 72 Ų | 72 | 84.1 Ų | 84.1 | 38% | 0.377 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 123.4 | 169 | -71.3 | 89.7 | 0 | 0 | 0 | 108 | V82 S86 Y90 L95 | V82-L84 HydrophobicContact CG1-CD1 3.78Å; L84-S86 PolarHBondContact O-N 2.82Å; L84-Y90 HydrophobicContact CB-CE2 4.13Å; L84-Y90 HydrophobicContact CD2-CD2 4.3Å; L84-Y90 HydrophobicContact CD2-CE2 4.42Å; L84-L95 HydrophobicContact CD2-CD1 4.18Å; L84-L95 HydrophobicContact CD2-CD2 3.71Å; L84-L95 HydrophobicContact CD2-CG 3.91Å |
| 85 | E | 73.6 | Confident | 82 | Confident | 126 Ų | 126 | 80.9 Ų | 80.9 | 59% | 0.589 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 119 | 175.5 | -76.7 | 176.7 | 176.9 | 0 | 0 | 110 | G87 H88 Y90 | E85-G87 PolarHBondContact O-N 3.23Å; E85-H88 PolarHBondContact O-N 3.34Å; E85-Y90 PolarHBondContact N-OH 2.97Å |
| 86 | S | 64.9 | Low | 82 | Confident | 133 Ų | 133 | 85.2 Ų | 85.2 | 93% | 0.93 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.8 | -178.6 | -38 | 0 | 0 | 0 | 0 | 114.3 | L84 | L84-S86 PolarHBondContact O-N 2.82Š|
| 87 | G | 63 | Low | 82.1 | Confident | 77 Ų | 77 | 82.7 Ų | 82.7 | 79% | 0.794 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -2.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E85 | E85-G87 PolarHBondContact O-N 3.23Š|
| 88 | H | 68.7 | Low | 82.1 | Confident | 83 Ų | 83 | 79.5 Ų | 79.5 | 38% | 0.384 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -126.8 | 142.1 | -175.5 | -133.7 | 74.9 | 0 | 0 | 0 | 112.6 | E85 Y90 A179 | E85-H88 PolarHBondContact O-N 3.34Å; H88-Y90 PolarHBondContact O-N 3.44Å; H88-A179 VanDerWaalsContact CE1-CB 3.46Å; H88-A179 WeakPolarHBondContact CE1-CB 3.44Å; H88-A179 WeakPolarHBondContact NE2-CB 3.43Å |
| 89 | E | 71.3 | Confident | 82.2 | Confident | 188 Ų | 188 | 80.3 Ų | 80.3 | 88% | 0.879 | 47% | 0.47 | S | S | * | . | trans | -87.3 | 98.4 | -179.7 | -148.7 | -178.8 | 143.8 | 0 | 0 | 109.2 | ||||
| 90 | Y | 80.3 | Confident | 82.5 | Confident | 28 Ų | 28 | 79.9 Ų | 79.9 | 11% | 0.11 | 48% | 0.476 | C | S | . | . | trans | -76.5 | 140.8 | 173.5 | -66.8 | -91.9 | 0 | 0 | 0 | 110.3 | L84 E85 H88 L95 V172 P176 | L84-Y90 HydrophobicContact CB-CE2 4.13Å; L84-Y90 HydrophobicContact CD2-CD2 4.3Å; L84-Y90 HydrophobicContact CD2-CE2 4.42Å; E85-Y90 PolarHBondContact N-OH 2.97Å; H88-Y90 PolarHBondContact O-N 3.44Å; Y90-L95 HydrophobicContact CG-CD1 4.03Å; Y90-V172 WeakPolarHBondContact CE1-O 3.37Å; Y90-P176 HydrophobicContact CE1-CG 3.51Å; Y90-P176 VanDerWaalsContact OH-CG 3.31Å; Y90-P176 WeakPolarHBondContact OH-CG 3.42Å | ||
| 91 | P | 84.3 | Confident | 82.7 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 40% | 0.403 | 45% | 0.449 | S | S | . | . | trans | -61.5 | 129.2 | 178.4 | 23.5 | -31.5 | 0 | 0 | 0 | 110.2 | G93 L94 | P91-G93 PolarHBondContact O-N 3.45Å; P91-G93 VanDerWaalsContact O-N 3.16Å; P91-L94 HydrophobicContact CG-CB 3.91Å; P91-L94 HydrophobicContact CG-CD2 4.4Å; P91-L94 WeakPolarHBondContact O-CB 3.41Å; P91-L94 PolarHBondContact O-N 3.14Å | ||
| 92 | P | 84.1 | Confident | 83 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 67% | 0.669 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.3 | -33.7 | -173 | 21.6 | -32.8 | 0 | 0 | 0 | 112.2 | L94 L95 V96 | P92-L94 VanDerWaalsContact C-N 3.28Å; P92-L94 PolarHBondContact O-N 3.19Å; P92-L95 PolarHBondContact O-N 2.6Å; P92-V96 VanDerWaalsContact O-CG2 3.28Å; P92-V96 WeakPolarHBondContact O-CG2 3.48Å; P92-V96 PolarHBondContact O-N 3.08Å |
| 93 | G | 87.9 | Confident | 83.4 | Confident | 52 Ų | 52 | 73.3 Ų | 73.3 | 54% | 0.536 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P91 A97 | P91-G93 PolarHBondContact O-N 3.45Å; P91-G93 VanDerWaalsContact O-N 3.16Å; G93-A97 VanDerWaalsContact O-CB 3.22Å; G93-A97 WeakPolarHBondContact O-CB 3.17Å; G93-A97 PolarHBondContact O-N 3.34Å |
| 94 | L | 87.7 | Confident | 84.1 | Confident | 25 Ų | 25 | 68.8 Ų | 68.8 | 13% | 0.131 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -71.4 | -42.8 | 179 | -177.4 | 66 | 0 | 0 | 0 | 111.3 | P91 P92 A97 F98 L168 W171 V172 V175 | P91-L94 HydrophobicContact CG-CB 3.91Å; P91-L94 HydrophobicContact CG-CD2 4.4Å; P91-L94 WeakPolarHBondContact O-CB 3.41Å; P91-L94 PolarHBondContact O-N 3.14Å; P92-L94 VanDerWaalsContact C-N 3.28Å; P92-L94 PolarHBondContact O-N 3.19Å; L94-A97 PolarHBondContact O-N 3.25Å; L94-F98 VanDerWaalsContact O-CB 3.24Å; L94-F98 WeakPolarHBondContact O-CB 3.32Å; L94-F98 PolarHBondContact O-N 2.79Å; L94-L168 HydrophobicContact CD1-CD2 3.97Å; L94-W171 HydrophobicContact CD1-CB 3.79Å; L94-W171 HydrophobicContact CD2-CB 4.21Å; L94-V172 HydrophobicContact CD2-CG2 4.07Å; L94-V172 HydrophobicContact CG-CG2 4.14Å; L94-V175 HydrophobicContact CD2-CG2 4.18Å |
| 95 | L | 88.6 | Confident | 84.9 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 33% | 0.33 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | 177.9 | -86.6 | 68.9 | 0 | 0 | 0 | 111.6 | L84 Y90 P92 F98 S99 | L84-L95 HydrophobicContact CD2-CD1 4.18Å; L84-L95 HydrophobicContact CD2-CD2 3.71Å; L84-L95 HydrophobicContact CD2-CG 3.91Å; Y90-L95 HydrophobicContact CG-CD1 4.03Å; P92-L95 PolarHBondContact O-N 2.6Å; L95-F98 PolarHBondContact O-N 3.07Å; L95-S99 WeakPolarHBondContact O-CB 3.23Å; L95-S99 PolarHBondContact O-N 3.2Å; L95-S99 PolarHBondContact O-OG 2.81Å |
| 96 | V | 91.4 | Very high | 85.9 | Confident | 94 Ų | 94 | 60.9 Ų | 60.9 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65 | -46 | 175.6 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | P92 F98 S99 A100 | P92-V96 VanDerWaalsContact O-CG2 3.28Å; P92-V96 WeakPolarHBondContact O-CG2 3.48Å; P92-V96 PolarHBondContact O-N 3.08Å; V96-F98 VanDerWaalsContact C-N 3.35Å; V96-F98 PolarHBondContact O-N 3.39Å; V96-S99 PolarHBondContact O-OG 2.93Å; V96-S99 VanDerWaalsContact O-OG 3.07Å; V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.27Å |
| 97 | A | 91.9 | Very high | 87.3 | Confident | 44 Ų | 44 | 57.2 Ų | 57.2 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G93 L94 C101 L168 | G93-A97 VanDerWaalsContact O-CB 3.22Å; G93-A97 WeakPolarHBondContact O-CB 3.17Å; G93-A97 PolarHBondContact O-N 3.34Å; L94-A97 PolarHBondContact O-N 3.25Å; A97-C101 WeakPolarHBondContact O-CB 3.43Å; A97-C101 PolarHBondContact O-N 2.96Å; A97-L168 HydrophobicContact CB-CD2 4.36Å |
| 98 | F | 91.6 | Very high | 88.7 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -57 | 175.8 | 177.7 | -115.8 | 0 | 0 | 0 | 111.7 | M79 V82 L94 L95 V96 A100 C101 T102 E165 L168 V169 V172 | M79-F98 HydrophobicContact CB-CZ 4.11Å; M79-F98 HydrophobicContact CE-CD1 4.21Å; M79-F98 HydrophobicContact CE-CE1 3.72Å; M79-F98 HydrophobicContact CE-CZ 3.95Å; M79-F98 HydrophobicContact CG-CE1 4.32Å; M79-F98 HydrophobicContact CG-CZ 4.17Å; V82-F98 HydrophobicContact CG1-CE1 3.92Å; V82-F98 HydrophobicContact CG1-CZ 4.02Å; L94-F98 VanDerWaalsContact O-CB 3.24Å; L94-F98 WeakPolarHBondContact O-CB 3.32Å; L94-F98 PolarHBondContact O-N 2.79Å; L95-F98 PolarHBondContact O-N 3.07Å; V96-F98 VanDerWaalsContact C-N 3.35Å; V96-F98 PolarHBondContact O-N 3.39Å; F98-A100 VanDerWaalsContact C-N 3.35Å; F98-A100 PolarHBondContact O-N 3.47Å; F98-C101 PolarHBondContact O-N 3.19Å; F98-C101 VanDerWaalsContact O-N 3.14Å; F98-T102 PolarHBondContact O-N 3.47Å; F98-T102 VanDerWaalsContact O-N 3.08Å; F98-T102 PolarHBondContact O-OG1 3.44Å; F98-E165 VanDerWaalsContact CE2-OE1 3.31Å; F98-E165 WeakPolarHBondContact CE2-OE1 3.4Å; F98-L168 HydrophobicContact CD2-CB 4.02Å; F98-V169 HydrophobicContact CE2-CG2 3.83Å; F98-V169 HydrophobicContact CZ-CG2 4.48Å; F98-V172 HydrophobicContact CG-CG2 4.42Å |
| 99 | S | 91.5 | Very high | 89.8 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 41% | 0.406 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 178.8 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | L95 V96 T103 | L95-S99 WeakPolarHBondContact O-CB 3.23Å; L95-S99 PolarHBondContact O-N 3.2Å; L95-S99 PolarHBondContact O-OG 2.81Å; V96-S99 PolarHBondContact O-OG 2.93Å; V96-S99 VanDerWaalsContact O-OG 3.07Å; S99-T103 VanDerWaalsContact O-CG2 3.28Å; S99-T103 WeakPolarHBondContact O-CG2 3.44Å; S99-T103 PolarHBondContact O-N 2.87Å; S99-T103 PolarHBondContact O-OG1 2.95Å |
| 100 | A | 94.7 | Very high | 90.7 | Very high | 45 Ų | 45 | 46.6 Ų | 46.6 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | V96 F98 T103 V104 | V96-A100 WeakPolarHBondContact O-CB 3.38Å; V96-A100 PolarHBondContact O-N 3.27Å; F98-A100 VanDerWaalsContact C-N 3.35Å; F98-A100 PolarHBondContact O-N 3.47Å; A100-T103 WeakPolarHBondContact CA-OG1 2.97Å; A100-T103 PolarHBondContact O-OG1 2.89Å; A100-V104 WeakPolarHBondContact O-CB 3.32Å; A100-V104 VanDerWaalsContact O-CG2 3.23Å; A100-V104 WeakPolarHBondContact O-CG2 3.31Å; A100-V104 PolarHBondContact O-N 2.9Å |
| 101 | C | 93.9 | Very high | 91.2 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 10% | 0.095 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | A97 F98 T103 V104 L105 E165 L168 | A97-C101 WeakPolarHBondContact O-CB 3.43Å; A97-C101 PolarHBondContact O-N 2.96Å; F98-C101 PolarHBondContact O-N 3.19Å; F98-C101 VanDerWaalsContact O-N 3.14Å; C101-T103 PolarHBondContact O-N 3.2Å; C101-V104 PolarHBondContact O-N 3.41Å; C101-L105 VanDerWaalsContact O-CB 3.29Å; C101-L105 WeakPolarHBondContact O-CB 3.47Å; C101-L105 PolarHBondContact O-N 3.3Å; C101-E165 PolarHBondContact SG-OE2 2.92Å; C101-L168 HydrophobicContact CB-CD1 3.48Å; C101-L168 VanDerWaalsContact CB-CD1 3.48Å |
| 102 | T | 92.8 | Very high | 91.4 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | -178.4 | -34.1 | 0 | 0 | 0 | 0 | 112.4 | M79 F98 L105 V106 E165 | M79-T102 HydrophobicContact CB-CG2 4.26Å; M79-T102 HydrophobicContact CE-CG2 3.64Å; M79-T102 WeakPolarHBondContact CE-OG1 3.28Å; M79-T102 HydrophobicContact SD-CG2 3.59Å; M79-T102 VanDerWaalsContact SD-CG2 3.59Å; F98-T102 PolarHBondContact O-N 3.47Å; F98-T102 VanDerWaalsContact O-N 3.08Å; F98-T102 PolarHBondContact O-OG1 3.44Å; T102-L105 WeakPolarHBondContact O-CB 2.92Å; T102-L105 PolarHBondContact O-N 2.83Å; T102-V106 WeakPolarHBondContact O-CG2 3.46Å; T102-V106 PolarHBondContact O-N 3.34Å; T102-E165 WeakPolarHBondContact CB-OE1 3.29Å; T102-E165 WeakPolarHBondContact CG2-OE1 3.35Å; T102-E165 PolarHBondContact N-OE2 2.99Å; T102-E165 VanDerWaalsContact OG1-CD 3.24Å; T102-E165 PolarHBondContact OG1-OE1 2.91Å; T102-E165 PolarHBondContact OG1-OE2 2.99Å |
| 103 | T | 93.8 | Very high | 91.6 | Very high | 89 Ų | 89 | 43.7 Ų | 43.7 | 55% | 0.546 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 177 | 50.2 | 0 | 0 | 0 | 0 | 111.5 | S99 A100 C101 A107 | S99-T103 VanDerWaalsContact O-CG2 3.28Å; S99-T103 WeakPolarHBondContact O-CG2 3.44Å; S99-T103 PolarHBondContact O-N 2.87Å; S99-T103 PolarHBondContact O-OG1 2.95Å; A100-T103 WeakPolarHBondContact CA-OG1 2.97Å; A100-T103 PolarHBondContact O-OG1 2.89Å; C101-T103 PolarHBondContact O-N 3.2Å; T103-A107 VanDerWaalsContact O-CB 3.31Å; T103-A107 WeakPolarHBondContact O-CB 3.42Å; T103-A107 PolarHBondContact O-N 3.06Å |
| 104 | V | 94.8 | Very high | 91.6 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 42% | 0.418 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | A100 C101 V106 A107 V108 L161 | A100-V104 WeakPolarHBondContact O-CB 3.32Å; A100-V104 VanDerWaalsContact O-CG2 3.23Å; A100-V104 WeakPolarHBondContact O-CG2 3.31Å; A100-V104 PolarHBondContact O-N 2.9Å; C101-V104 PolarHBondContact O-N 3.41Å; V104-V106 PolarHBondContact O-N 3.44Å; V104-A107 PolarHBondContact O-N 3.18Å; V104-V108 HydrophobicContact CG1-CG2 4.06Å; V104-V108 WeakPolarHBondContact O-CB 3.45Å; V104-V108 VanDerWaalsContact O-CG2 3.26Å; V104-V108 WeakPolarHBondContact O-CG2 3.33Å; V104-V108 PolarHBondContact O-N 2.89Å; V104-L161 HydrophobicContact CB-CD1 4.31Å; V104-L161 HydrophobicContact CG1-CD1 3.6Å |
| 105 | L | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.6 | -52 | 176 | 178 | 145.2 | 0 | 0 | 0 | 111.2 | A75 C101 T102 A107 V108 H109 L161 F162 E165 | A75-L105 HydrophobicContact CB-CD1 4.22Å; A75-L105 HydrophobicContact CB-CD2 3.67Å; C101-L105 VanDerWaalsContact O-CB 3.29Å; C101-L105 WeakPolarHBondContact O-CB 3.47Å; C101-L105 PolarHBondContact O-N 3.3Å; T102-L105 WeakPolarHBondContact O-CB 2.92Å; T102-L105 PolarHBondContact O-N 2.83Å; L105-A107 PolarHBondContact O-N 2.86Å; L105-V108 PolarHBondContact O-N 3.44Å; L105-H109 PolarHBondContact O-CD2 3.15Å; L105-H109 PolarHBondContact O-N 2.9Å; L105-H109 VanDerWaalsContact O-N 3.12Å; L105-L161 HydrophobicContact CB-CB 4.08Å; L105-L161 HydrophobicContact CD1-CB 4.1Å; L105-L161 HydrophobicContact CG-CB 4.35Å; L105-F162 VanDerWaalsContact CD1-CA 3.4Å; L105-F162 HydrophobicContact CD1-CB 3.92Å; L105-F162 HydrophobicContact CD1-CD2 4.32Å; L105-E165 HydrophobicContact CD1-CB 4.21Å |
| 106 | V | 93.4 | Very high | 91.4 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 19% | 0.194 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | M76 T102 V104 V108 H109 L110 | M76-V106 HydrophobicContact CE-CG1 4.49Å; M76-V106 HydrophobicContact CE-CG2 4.23Å; T102-V106 WeakPolarHBondContact O-CG2 3.46Å; T102-V106 PolarHBondContact O-N 3.34Å; V104-V106 PolarHBondContact O-N 3.44Å; V106-V108 PolarHBondContact O-N 3.2Å; V106-H109 PolarHBondContact O-N 2.94Å; V106-L110 HydrophobicContact CG1-CD1 4.18Å; V106-L110 HydrophobicContact CG1-CG 4.35Å; V106-L110 WeakPolarHBondContact O-CG 3.28Å; V106-L110 PolarHBondContact O-N 2.84Å |
| 107 | A | 93.8 | Very high | 91 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T103 V104 L105 L110 F111 | T103-A107 VanDerWaalsContact O-CB 3.31Å; T103-A107 WeakPolarHBondContact O-CB 3.42Å; T103-A107 PolarHBondContact O-N 3.06Å; V104-A107 PolarHBondContact O-N 3.18Å; L105-A107 PolarHBondContact O-N 2.86Å; A107-L110 PolarHBondContact O-N 3.04Å; A107-F111 WeakPolarHBondContact O-CB 3.41Å; A107-F111 PolarHBondContact O-N 3.36Å |
| 108 | V | 92.9 | Very high | 90.3 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.109 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 179.2 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | V104 L105 V106 F111 A112 S154 L157 L161 | V104-V108 HydrophobicContact CG1-CG2 4.06Å; V104-V108 WeakPolarHBondContact O-CB 3.45Å; V104-V108 VanDerWaalsContact O-CG2 3.26Å; V104-V108 WeakPolarHBondContact O-CG2 3.33Å; V104-V108 PolarHBondContact O-N 2.89Å; L105-V108 PolarHBondContact O-N 3.44Å; V106-V108 PolarHBondContact O-N 3.2Å; V108-F111 WeakPolarHBondContact O-CB 3.01Å; V108-F111 PolarHBondContact O-N 3.38Å; V108-A112 PolarHBondContact O-N 2.86Å; V108-S154 WeakPolarHBondContact CG1-O 3.47Å; V108-L157 HydrophobicContact CG1-CB 4.19Å; V108-L157 HydrophobicContact CG1-CD2 4.36Å; V108-L157 HydrophobicContact CG1-CG 4.37Å; V108-L157 HydrophobicContact CG2-CD2 3.83Å; V108-L157 HydrophobicContact CG2-CG 4.37Å; V108-L161 HydrophobicContact CB-CD1 4.48Å; V108-L161 HydrophobicContact CG2-CD1 4.1Å |
| 109 | H | 92 | Very high | 89.6 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.019 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 174.8 | -80.1 | -61.4 | 0 | 0 | 0 | 112.7 | S68 S72 L105 V106 F111 A112 L113 | S68-H109 PolarHBondContact OG-ND1 2.92Å; S72-H109 WeakPolarHBondContact OG-CB 3.34Å; S72-H109 PolarHBondContact OG-CD2 3.42Å; L105-H109 PolarHBondContact O-CD2 3.15Å; L105-H109 PolarHBondContact O-N 2.9Å; L105-H109 VanDerWaalsContact O-N 3.12Å; V106-H109 PolarHBondContact O-N 2.94Å; H109-F111 VanDerWaalsContact C-N 3.32Å; H109-A112 PolarHBondContact O-N 3.4Å; H109-L113 WeakPolarHBondContact O-CG 3.33Å; H109-L113 PolarHBondContact O-N 3.29Å; H109-L113 VanDerWaalsContact O-N 3.1Å |
| 110 | L | 90.8 | Very high | 88.6 | Confident | 104 Ų | 104 | 45.6 Ų | 45.6 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 171.7 | -67 | -178 | 0 | 0 | 0 | 111.7 | V106 A107 L113 M114 | V106-L110 HydrophobicContact CG1-CD1 4.18Å; V106-L110 HydrophobicContact CG1-CG 4.35Å; V106-L110 WeakPolarHBondContact O-CG 3.28Å; V106-L110 PolarHBondContact O-N 2.84Å; A107-L110 PolarHBondContact O-N 3.04Å; L110-L113 HydrophobicContact CD2-CD1 4.27Å; L110-L113 WeakPolarHBondContact O-CB 3.18Å; L110-L113 PolarHBondContact O-N 3.5Å; L110-M114 WeakPolarHBondContact O-CB 3.5Å; L110-M114 PolarHBondContact O-N 3.27Å |
| 111 | F | 90.9 | Very high | 87.4 | Confident | 82 Ų | 82 | 47.4 Ų | 47.4 | 36% | 0.36 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.1 | -179.9 | -87.5 | 0 | 0 | 0 | 111.7 | A107 V108 H109 L113 M114 V115 S154 | A107-F111 WeakPolarHBondContact O-CB 3.41Å; A107-F111 PolarHBondContact O-N 3.36Å; V108-F111 WeakPolarHBondContact O-CB 3.01Å; V108-F111 PolarHBondContact O-N 3.38Å; H109-F111 VanDerWaalsContact C-N 3.32Å; F111-L113 VanDerWaalsContact C-N 3.28Å; F111-L113 PolarHBondContact O-N 2.96Å; F111-M114 HydrophobicContact CD2-CE 3.65Å; F111-M114 HydrophobicContact CE2-CE 3.86Å; F111-M114 PolarHBondContact O-N 2.95Å; F111-V115 HydrophobicContact CD1-CG2 3.91Å; F111-V115 HydrophobicContact CE1-CG2 3.51Å; F111-V115 HydrophobicContact CE2-CG2 4.24Å; F111-V115 HydrophobicContact CG-CG2 4.48Å; F111-V115 HydrophobicContact CZ-CG2 3.69Å; F111-V115 WeakPolarHBondContact O-CG2 3.46Å; F111-V115 PolarHBondContact O-N 2.87Å; F111-S154 WeakPolarHBondContact CD1-OG 3.25Å; F111-S154 WeakPolarHBondContact CE1-OG 3.46Å |
| 112 | A | 88.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V108 H109 S116 | V108-A112 PolarHBondContact O-N 2.86Å; H109-A112 PolarHBondContact O-N 3.4Å; A112-S116 VanDerWaalsContact O-CB 3.31Å; A112-S116 WeakPolarHBondContact O-CB 3.44Å; A112-S116 PolarHBondContact O-N 3.41Å; A112-S116 PolarHBondContact O-OG 3.36Å |
| 113 | L | 87.3 | Confident | 84.8 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68 | -44.1 | 173.4 | -67.7 | 175.4 | 0 | 0 | 0 | 112.2 | H109 L110 F111 V115 S116 T117 | H109-L113 WeakPolarHBondContact O-CG 3.33Å; H109-L113 PolarHBondContact O-N 3.29Å; H109-L113 VanDerWaalsContact O-N 3.1Å; L110-L113 HydrophobicContact CD2-CD1 4.27Å; L110-L113 WeakPolarHBondContact O-CB 3.18Å; L110-L113 PolarHBondContact O-N 3.5Å; F111-L113 VanDerWaalsContact C-N 3.28Å; F111-L113 PolarHBondContact O-N 2.96Å; L113-V115 PolarHBondContact O-N 3.27Å; L113-S116 WeakPolarHBondContact O-CB 3.31Å; L113-S116 PolarHBondContact O-N 3.14Å; L113-S116 VanDerWaalsContact O-N 3.14Å; L113-T117 PolarHBondContact O-N 2.96Å; L113-T117 PolarHBondContact O-OG1 2.98Å; L113-T117 VanDerWaalsContact O-OG1 3.08Å |
| 114 | M | 88.6 | Confident | 83.4 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 53% | 0.532 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 177.2 | -174.5 | -177.8 | 71.3 | 0 | 0 | 110.9 | L110 F111 S116 T117 C118 | L110-M114 WeakPolarHBondContact O-CB 3.5Å; L110-M114 PolarHBondContact O-N 3.27Å; F111-M114 HydrophobicContact CD2-CE 3.65Å; F111-M114 HydrophobicContact CE2-CE 3.86Å; F111-M114 PolarHBondContact O-N 2.95Å; M114-S116 VanDerWaalsContact C-N 3.26Å; M114-S116 PolarHBondContact O-N 3.4Å; M114-T117 PolarHBondContact O-N 3.38Å; M114-C118 PolarHBondContact O-N 3.1Å; M114-C118 PolarHBondContact O-SG 3.44Å |
| 115 | V | 86.4 | Confident | 82 | Confident | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | F111 L113 C118 L119 V147 W151 | F111-V115 HydrophobicContact CD1-CG2 3.91Å; F111-V115 HydrophobicContact CE1-CG2 3.51Å; F111-V115 HydrophobicContact CE2-CG2 4.24Å; F111-V115 HydrophobicContact CG-CG2 4.48Å; F111-V115 HydrophobicContact CZ-CG2 3.69Å; F111-V115 WeakPolarHBondContact O-CG2 3.46Å; F111-V115 PolarHBondContact O-N 2.87Å; L113-V115 PolarHBondContact O-N 3.27Å; V115-C118 PolarHBondContact O-N 3.12Å; V115-L119 HydrophobicContact CG1-CD1 3.99Å; V115-L119 WeakPolarHBondContact O-CB 3.21Å; V115-L119 PolarHBondContact O-N 3.2Å; V115-V147 HydrophobicContact CG1-CG1 3.58Å; V115-W151 HydrophobicContact CG1-CB 3.71Å; V115-W151 HydrophobicContact CG1-CG 4.49Å |
| 116 | S | 85.3 | Confident | 80.4 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 176.3 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | L61 A112 L113 M114 L119 W151 | L61-S116 WeakPolarHBondContact CD2-O 3.49Å; L61-S116 WeakPolarHBondContact CD2-OG 3.34Å; A112-S116 VanDerWaalsContact O-CB 3.31Å; A112-S116 WeakPolarHBondContact O-CB 3.44Å; A112-S116 PolarHBondContact O-N 3.41Å; A112-S116 PolarHBondContact O-OG 3.36Å; L113-S116 WeakPolarHBondContact O-CB 3.31Å; L113-S116 PolarHBondContact O-N 3.14Å; L113-S116 VanDerWaalsContact O-N 3.14Å; M114-S116 VanDerWaalsContact C-N 3.26Å; M114-S116 PolarHBondContact O-N 3.4Å; S116-L119 PolarHBondContact O-N 3.47Å; S116-W151 PolarHBondContact OG-NE1 3.47Å |
| 117 | T | 84.3 | Confident | 78.7 | Confident | 103 Ų | 103 | 53.3 Ų | 53.3 | 63% | 0.632 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.1 | -40.3 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | L113 M114 L119 P121 | L113-T117 PolarHBondContact O-N 2.96Å; L113-T117 PolarHBondContact O-OG1 2.98Å; L113-T117 VanDerWaalsContact O-OG1 3.08Å; M114-T117 PolarHBondContact O-N 3.38Å; T117-L119 VanDerWaalsContact C-N 3.35Å; T117-L119 PolarHBondContact O-N 2.76Å; T117-P121 WeakPolarHBondContact O-CD 3.3Å |
| 118 | C | 76.5 | Confident | 77.1 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 58% | 0.581 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74.6 | -21.1 | 179.4 | -62.6 | 0 | 0 | 0 | 0 | 113.8 | M114 V115 | M114-C118 PolarHBondContact O-N 3.1Å; M114-C118 PolarHBondContact O-SG 3.44Å; V115-C118 PolarHBondContact O-N 3.12Å |
| 119 | L | 77.6 | Confident | 75.4 | Confident | 10 Ų | 10 | 61.2 Ų | 61.2 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -76.8 | -31.7 | 179 | -122.2 | 133.3 | 0 | 0 | 0 | 112.8 | L61 V115 S116 T117 H122 I123 H144 V147 | L61-L119 HydrophobicContact CD1-CB 4.49Å; L61-L119 HydrophobicContact CD2-CB 4.21Å; V115-L119 HydrophobicContact CG1-CD1 3.99Å; V115-L119 WeakPolarHBondContact O-CB 3.21Å; V115-L119 PolarHBondContact O-N 3.2Å; S116-L119 PolarHBondContact O-N 3.47Å; T117-L119 VanDerWaalsContact C-N 3.35Å; T117-L119 PolarHBondContact O-N 2.76Å; L119-H122 PolarHBondContact O-N 3.08Å; L119-I123 HydrophobicContact CB-CD1 4.23Å; L119-I123 HydrophobicContact CD2-CD1 3.31Å; L119-I123 HydrophobicContact CD2-CG1 3.9Å; L119-I123 HydrophobicContact CG-CD1 4.35Å; L119-I123 WeakPolarHBondContact O-CD1 3.04Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.26Å; L119-I123 PolarHBondContact O-N 2.96Å; L119-H144 VanDerWaalsContact CD2-NE2 3.3Å; L119-H144 WeakPolarHBondContact CD2-NE2 3.41Å; L119-V147 HydrophobicContact CD1-CB 4.41Å; L119-V147 HydrophobicContact CD1-CG1 3.44Å; L119-V147 VanDerWaalsContact CD1-CG1 3.44Å; L119-V147 HydrophobicContact CG-CG1 4.02Å |
| 120 | L | 70.5 | Confident | 73.7 | Confident | 63 Ų | 63 | 68.7 Ų | 68.7 | 33% | 0.33 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | -171.6 | -170 | 66.8 | 0 | 0 | 0 | 113.9 | L61 H122 I123 E124 | L61-L120 HydrophobicContact CD1-CB 4.49Å; L61-L120 HydrophobicContact CD1-CD1 4.14Å; L120-H122 VanDerWaalsContact C-N 3.32Å; L120-H122 PolarHBondContact O-N 3.49Å; L120-I123 PolarHBondContact O-N 2.73Å; L120-E124 WeakPolarHBondContact O-CG 3.42Å; L120-E124 PolarHBondContact O-N 3.37Å |
| 121 | P | 68.4 | Low | 72 | Confident | 83 Ų | 83 | 67.4 Ų | 67.4 | 54% | 0.539 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | -179.7 | -19.4 | 32.3 | 0 | 0 | 0 | 112.7 | T117 E124 A125 | T117-P121 WeakPolarHBondContact O-CD 3.3Å; P121-E124 PolarHBondContact O-N 2.89Å; P121-A125 WeakPolarHBondContact O-CB 3.39Å; P121-A125 PolarHBondContact O-N 3.34Å |
| 122 | H | 66.1 | Low | 70.3 | Confident | 47 Ų | 47 | 65.9 Ų | 65.9 | 22% | 0.218 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 178.3 | 177.3 | -55.2 | 0 | 0 | 0 | 111.5 | L119 L120 V126 H140 H144 | L119-H122 PolarHBondContact O-N 3.08Å; L120-H122 VanDerWaalsContact C-N 3.32Å; L120-H122 PolarHBondContact O-N 3.49Å; H122-V126 VanDerWaalsContact O-CG2 3.31Å; H122-V126 WeakPolarHBondContact O-CG2 3.31Å; H122-V126 PolarHBondContact O-N 2.88Å; H122-H140 AromaticContact CD2-CE1 3.44Å; H122-H140 PolarHBondContact CD2-CE1 2.77Å; H122-H140 VanDerWaalsContact CD2-CE1 3.44Å; H122-H140 AromaticContact CD2-NE2 3.19Å; H122-H140 PolarHBondContact CD2-NE2 2.92Å; H122-H140 AromaticContact CE1-CE1 2.9Å; H122-H140 PolarHBondContact CE1-CE1 3.36Å; H122-H140 AromaticContact CE1-ND1 3.42Å; H122-H140 PolarHBondContact CE1-ND1 2.84Å; H122-H140 AromaticContact CE1-NE2 3.52Å; H122-H140 AromaticContact CG-CE1 3.86Å; H122-H140 AromaticContact CG-NE2 3.9Å; H122-H140 AromaticContact ND1-CE1 3.54Å; H122-H140 AromaticContact NE2-CD2 3.59Å; H122-H140 AromaticContact NE2-CE1 2.86Å; H122-H140 PolarHBondContact NE2-CE1 3.18Å; H122-H140 AromaticContact NE2-CG 3.82Å; H122-H140 AromaticContact NE2-ND1 3.37Å; H122-H140 PolarHBondContact NE2-ND1 3.15Å; H122-H140 AromaticContact NE2-NE2 2.98Å; H122-H140 PolarHBondContact NE2-NE2 3.3Å; H122-H144 AromaticContact CE1-CD2 3.16Å; H122-H144 PolarHBondContact CE1-CD2 2.89Å; H122-H144 AromaticContact CE1-CG 3.75Å; H122-H144 AromaticContact ND1-CD2 3.56Å; H122-H144 AromaticContact NE2-CD2 3.64Å |
| 123 | I | 65.3 | Low | 68.5 | Low | 13 Ų | 13 | 71.4 Ų | 71.4 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 175.4 | -72.6 | 166.4 | 0 | 0 | 0 | 111.1 | L54 L61 L119 L120 V126 S127 | L54-I123 HydrophobicContact CD1-CB 4.47Å; L54-I123 HydrophobicContact CD1-CG2 3.01Å; L54-I123 HydrophobicContact CG-CG2 4.41Å; L61-I123 HydrophobicContact CD1-CD1 4.01Å; L119-I123 HydrophobicContact CB-CD1 4.23Å; L119-I123 HydrophobicContact CD2-CD1 3.31Å; L119-I123 HydrophobicContact CD2-CG1 3.9Å; L119-I123 HydrophobicContact CG-CD1 4.35Å; L119-I123 WeakPolarHBondContact O-CD1 3.04Å; L119-I123 VanDerWaalsContact O-CG1 3.27Å; L119-I123 WeakPolarHBondContact O-CG1 3.26Å; L119-I123 PolarHBondContact O-N 2.96Å; L120-I123 PolarHBondContact O-N 2.73Å; I123-V126 PolarHBondContact O-N 3.05Å; I123-S127 PolarHBondContact O-N 2.9Å |
| 124 | E | 65.2 | Low | 66.7 | Low | 93 Ų | 93 | 72.7 Ų | 72.7 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | -179.6 | -72.3 | 178.6 | 176.5 | 0 | 0 | 111.9 | R58 L120 P121 V126 S127 N128 | R58-E124 IonicContact NH1-OE1 3.91Å; L120-E124 WeakPolarHBondContact O-CG 3.42Å; L120-E124 PolarHBondContact O-N 3.37Å; P121-E124 PolarHBondContact O-N 2.89Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.11Å; E124-S127 PolarHBondContact O-N 3.18Å; E124-S127 PolarHBondContact O-OG 3.06Å; E124-N128 PolarHBondContact O-N 3.4Å |
| 125 | A | 64.9 | Low | 64.9 | Low | 55 Ų | 55 | 70.3 Ų | 70.3 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.7 | -37.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P121 S127 N128 | P121-A125 WeakPolarHBondContact O-CB 3.39Å; P121-A125 PolarHBondContact O-N 3.34Å; A125-S127 VanDerWaalsContact C-N 3.29Å; A125-S127 PolarHBondContact O-N 3.5Å; A125-N128 PolarHBondContact O-N 2.95Å |
| 126 | V | 60.8 | Low | 63.2 | Low | 59 Ų | 59 | 76.7 Ų | 76.7 | 36% | 0.358 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.7 | -28.2 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 112.2 | H122 I123 E124 | H122-V126 VanDerWaalsContact O-CG2 3.31Å; H122-V126 WeakPolarHBondContact O-CG2 3.31Å; H122-V126 PolarHBondContact O-N 2.88Å; I123-V126 PolarHBondContact O-N 3.05Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 3.11Å |
| 127 | S | 57.4 | Low | 61.4 | Low | 65 Ų | 65 | 84.8 Ų | 84.8 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -82.4 | -20.6 | 178.7 | 74.2 | 0 | 0 | 0 | 0 | 114.2 | I123 E124 A125 | I123-S127 PolarHBondContact O-N 2.9Å; E124-S127 PolarHBondContact O-N 3.18Å; E124-S127 PolarHBondContact O-OG 3.06Å; A125-S127 VanDerWaalsContact C-N 3.29Å; A125-S127 PolarHBondContact O-N 3.5Å |
| 128 | N | 59.2 | Low | 59.6 | Low | 138 Ų | 138 | 82.4 Ų | 82.4 | 74% | 0.738 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -89.5 | -26.6 | -171.4 | -169.4 | 45.6 | 0 | 0 | 0 | 113.8 | E124 A125 | E124-N128 PolarHBondContact O-N 3.4Å; A125-N128 PolarHBondContact O-N 2.95Å |
| 129 | I | 58.6 | Low | 58.4 | Low | 101 Ų | 101 | 83.4 Ų | 83.4 | 52% | 0.518 | 46% | 0.46 | S | S | . | . | trans | -100.6 | 107.9 | -176.7 | -54.3 | 171.8 | 0 | 0 | 0 | 108.7 | N131 | I129-N131 HydrophobicContact CG2-CB 3.83Å; I129-N131 PolarHBondContact O-N 3.38Å | ||
| 130 | H | 55.5 | Low | 57.5 | Low | 161 Ų | 161 | 86.1 Ų | 86.1 | 75% | 0.745 | 47% | 0.472 | S | S | * | . | trans | -65.5 | 18.4 | 177.8 | -133.1 | 87.1 | 0 | 0 | 0 | 114.6 | ||||
| 131 | N | 54.8 | Low | 57.1 | Low | 76 Ų | 76 | 88.1 Ų | 88.1 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | trans | -112 | 73.3 | -177.6 | -168.2 | -29 | 0 | 0 | 0 | 110.9 | I129 N133 S134 | I129-N131 HydrophobicContact CG2-CB 3.83Å; I129-N131 PolarHBondContact O-N 3.38Å; N131-N133 PolarHBondContact O-N 3.39Å; N131-S134 PolarHBondContact O-N 2.96Å; N131-S134 WeakPolarHBondContact OD1-CB 3.35Å; N131-S134 PolarHBondContact OD1-N 3.49Å; N131-S134 PolarHBondContact OD1-OG 3.35Å | ||
| 132 | L | 55.4 | Low | 57 | Low | 51 Ų | 51 | 89.4 Ų | 89.4 | 27% | 0.267 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -20.4 | 178.9 | -65 | 172.7 | 0 | 0 | 0 | 113.4 | R47 | R47-L132 HydrophobicContact CB-CD1 4.28Å; R47-L132 HydrophobicContact CG-CD1 3.17Å |
| 133 | N | 50.7 | Low | 57.1 | Low | 116 Ų | 116 | 92.2 Ų | 92.2 | 62% | 0.62 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -77.3 | -29.9 | -179.5 | -93.5 | -5.2 | 0 | 0 | 0 | 113.1 | Q43 N131 | Q43-N133 PolarHBondContact NE2-OD1 3.5Å; N131-N133 PolarHBondContact O-N 3.39Å |
| 134 | S | 49 | Very low | 57.5 | Low | 75 Ų | 75 | 93.2 Ų | 93.2 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -83.9 | -20.8 | 177.8 | -70.5 | 0 | 0 | 0 | 0 | 114.2 | N131 | N131-S134 PolarHBondContact O-N 2.96Å; N131-S134 WeakPolarHBondContact OD1-CB 3.35Å; N131-S134 PolarHBondContact OD1-N 3.49Å; N131-S134 PolarHBondContact OD1-OG 3.35Å |
| 135 | V | 51.3 | Low | 57.9 | Low | 59 Ų | 59 | 95.4 Ų | 95.4 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.8 | -29.2 | -177.8 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | Q137 S138 | V135-Q137 PolarHBondContact O-N 3.47Å; V135-S138 PolarHBondContact O-OG 2.89Å |
| 136 | H | 50.8 | Low | 58.4 | Low | 146 Ų | 146 | 95.7 Ų | 95.7 | 68% | 0.676 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -15.9 | -179.7 | -164.9 | 46.6 | 0 | 0 | 0 | 113.6 | Q141 | H136-Q141 PolarHBondContact ND1-OE1 3.1Š|
| 137 | Q | 46.5 | Very low | 59.4 | Low | 181 Ų | 181 | 95.1 Ų | 95.1 | 85% | 0.846 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.7 | -178.5 | -111.7 | -178.6 | -16.1 | 0 | 0 | 114.9 | V135 | V135-Q137 PolarHBondContact O-N 3.47Š|
| 138 | S | 46.7 | Very low | 60.5 | Low | 53 Ų | 53 | 94.8 Ų | 94.8 | 37% | 0.371 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -108 | 146.2 | 178.7 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | V135 H140 | V135-S138 PolarHBondContact O-OG 2.89Å; S138-H140 PolarHBondContact O-N 3.16Å; S138-H140 WeakPolarHBondContact OG-CB 3.49Å |
| 139 | P | 52.2 | Low | 61.6 | Low | 106 Ų | 106 | 90.9 Ų | 90.9 | 69% | 0.688 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 6.5 | -178.9 | 25.7 | -34.1 | 0 | 0 | 0 | 114.9 | Q141 R142 L143 | P139-Q141 PolarHBondContact O-N 3.04Å; P139-R142 PolarHBondContact O-N 2.89Å; P139-L143 PolarHBondContact O-N 3.03Å |
| 140 | H | 58.3 | Low | 62.8 | Low | 67 Ų | 67 | 87.1 Ų | 87.1 | 31% | 0.31 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61 | -33.4 | -177.6 | -166.8 | -111.7 | 0 | 0 | 0 | 114.2 | H122 S138 R142 L143 H144 | H122-H140 AromaticContact CD2-CE1 3.44Å; H122-H140 PolarHBondContact CD2-CE1 2.77Å; H122-H140 VanDerWaalsContact CD2-CE1 3.44Å; H122-H140 AromaticContact CD2-NE2 3.19Å; H122-H140 PolarHBondContact CD2-NE2 2.92Å; H122-H140 AromaticContact CE1-CE1 2.9Å; H122-H140 PolarHBondContact CE1-CE1 3.36Å; H122-H140 AromaticContact CE1-ND1 3.42Å; H122-H140 PolarHBondContact CE1-ND1 2.84Å; H122-H140 AromaticContact CE1-NE2 3.52Å; H122-H140 AromaticContact CG-CE1 3.86Å; H122-H140 AromaticContact CG-NE2 3.9Å; H122-H140 AromaticContact ND1-CE1 3.54Å; H122-H140 AromaticContact NE2-CD2 3.59Å; H122-H140 AromaticContact NE2-CE1 2.86Å; H122-H140 PolarHBondContact NE2-CE1 3.18Å; H122-H140 AromaticContact NE2-CG 3.82Å; H122-H140 AromaticContact NE2-ND1 3.37Å; H122-H140 PolarHBondContact NE2-ND1 3.15Å; H122-H140 AromaticContact NE2-NE2 2.98Å; H122-H140 PolarHBondContact NE2-NE2 3.3Å; S138-H140 PolarHBondContact O-N 3.16Å; S138-H140 WeakPolarHBondContact OG-CB 3.49Å; H140-R142 VanDerWaalsContact C-N 3.32Å; H140-R142 PolarHBondContact O-N 2.79Å; H140-L143 PolarHBondContact O-N 2.96Å; H140-H144 PolarHBondContact O-N 3.33Å |
| 141 | Q | 62.6 | Low | 64.3 | Low | 105 Ų | 105 | 81 Ų | 81 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.5 | -26.1 | -179.6 | -170.5 | 170.5 | -1.6 | 0 | 0 | 113.6 | H136 P139 R145 | H136-Q141 PolarHBondContact ND1-OE1 3.1Å; P139-Q141 PolarHBondContact O-N 3.04Å; Q141-R145 PolarHBondContact O-N 3.44Å; Q141-R145 PolarHBondContact O-NE 3.39Å |
| 142 | R | 66.5 | Low | 65.8 | Low | 111 Ų | 111 | 78.5 Ų | 78.5 | 42% | 0.419 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -74.8 | -47.3 | 171.2 | -70.7 | -175.1 | 81.4 | 172.1 | 5.5 | 109.4 | P139 H140 H144 R145 Y146 H268 | P139-R142 PolarHBondContact O-N 2.89Å; H140-R142 VanDerWaalsContact C-N 3.32Å; H140-R142 PolarHBondContact O-N 2.79Å; R142-H144 PolarHBondContact O-N 3.41Å; R142-R145 PolarHBondContact O-N 3.33Å; R142-R145 VanDerWaalsContact O-N 3.15Å; R142-Y146 HydrophobicContact CB-CE2 4.14Å; R142-Y146 WeakPolarHBondContact O-CD2 3.03Å; R142-Y146 WeakPolarHBondContact O-CE2 3.3Å; R142-Y146 PolarHBondContact O-N 2.9Å; R142-Y146 VanDerWaalsContact O-N 3.1Å; R142-H268 PolarHBondContact NH2-CD2 2.93Å; R142-H268 PolarHBondContact NH2-NE2 2.99Å |
| 143 | L | 68 | Low | 67.3 | Low | 105 Ų | 105 | 77.9 Ų | 77.9 | 55% | 0.55 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.3 | -49.1 | 177.5 | -174.4 | 63.5 | 0 | 0 | 0 | 112.2 | P139 H140 R145 Y146 V147 | P139-L143 PolarHBondContact O-N 3.03Å; H140-L143 PolarHBondContact O-N 2.96Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 3.35Å; L143-Y146 WeakPolarHBondContact O-CB 3.17Å; L143-Y146 PolarHBondContact O-N 2.87Å; L143-V147 WeakPolarHBondContact O-CG2 3.25Å; L143-V147 PolarHBondContact O-N 3.35Å |
| 144 | H | 73.4 | Confident | 69.2 | Low | 34 Ų | 34 | 72.7 Ų | 72.7 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 178.6 | -173.1 | -85.7 | 0 | 0 | 0 | 113 | L119 H122 H140 R142 Y146 V147 E148 | L119-H144 VanDerWaalsContact CD2-NE2 3.3Å; L119-H144 WeakPolarHBondContact CD2-NE2 3.41Å; H122-H144 AromaticContact CE1-CD2 3.16Å; H122-H144 PolarHBondContact CE1-CD2 2.89Å; H122-H144 AromaticContact CE1-CG 3.75Å; H122-H144 AromaticContact ND1-CD2 3.56Å; H122-H144 AromaticContact NE2-CD2 3.64Å; H140-H144 PolarHBondContact O-N 3.33Å; R142-H144 PolarHBondContact O-N 3.41Å; H144-Y146 VanDerWaalsContact C-N 3.29Å; H144-Y146 PolarHBondContact O-N 3.01Å; H144-V147 PolarHBondContact O-N 3.26Å; H144-E148 WeakPolarHBondContact O-CB 3.43Å; H144-E148 PolarHBondContact O-N 3.3Å |
| 145 | R | 73.6 | Confident | 71.1 | Confident | 139 Ų | 139 | 70.9 Ų | 70.9 | 53% | 0.525 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -35.4 | 172.6 | -87.6 | -172.7 | -83.2 | 171.7 | -9.7 | 112 | Q141 R142 L143 L149 | Q141-R145 PolarHBondContact O-N 3.44Å; Q141-R145 PolarHBondContact O-NE 3.39Å; R142-R145 PolarHBondContact O-N 3.33Å; R142-R145 VanDerWaalsContact O-N 3.15Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 3.35Å; R145-L149 VanDerWaalsContact O-CB 3.32Å; R145-L149 WeakPolarHBondContact O-CB 3.31Å; R145-L149 WeakPolarHBondContact O-CG 3.41Å; R145-L149 PolarHBondContact O-N 3.5Å |
| 146 | Y | 75.9 | Confident | 72.9 | Confident | 61 Ų | 61 | 69 Ų | 69 | 24% | 0.239 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 172.8 | -69.8 | -64.7 | 0 | 0 | 0 | 112.6 | R142 L143 H144 E148 L149 A150 L265 H268 | R142-Y146 HydrophobicContact CB-CE2 4.14Å; R142-Y146 WeakPolarHBondContact O-CD2 3.03Å; R142-Y146 WeakPolarHBondContact O-CE2 3.3Å; R142-Y146 PolarHBondContact O-N 2.9Å; R142-Y146 VanDerWaalsContact O-N 3.1Å; L143-Y146 WeakPolarHBondContact O-CB 3.17Å; L143-Y146 PolarHBondContact O-N 2.87Å; H144-Y146 VanDerWaalsContact C-N 3.29Å; H144-Y146 PolarHBondContact O-N 3.01Å; Y146-E148 VanDerWaalsContact C-N 3.33Å; Y146-L149 PolarHBondContact O-N 2.73Å; Y146-A150 VanDerWaalsContact O-CB 3.25Å; Y146-A150 WeakPolarHBondContact O-CB 3.31Å; Y146-A150 PolarHBondContact O-N 2.99Å; Y146-L265 HydrophobicContact CD1-CD2 4.33Å; Y146-H268 HydrophobicContact CE1-CB 3.7Å; Y146-H268 AromaticContact CE1-CE1 3.87Å; Y146-H268 AromaticContact CE1-CG 3.41Å; Y146-H268 VanDerWaalsContact CE1-CG 3.41Å; Y146-H268 AromaticContact CE1-ND1 3.25Å; Y146-H268 VanDerWaalsContact CE1-ND1 3.25Å; Y146-H268 WeakPolarHBondContact CE1-ND1 3.33Å; Y146-H268 AromaticContact CE2-CE1 3.16Å; Y146-H268 WeakPolarHBondContact CE2-CE1 3.43Å; Y146-H268 AromaticContact CE2-ND1 3.46Å; Y146-H268 WeakPolarHBondContact CE2-ND1 3.44Å; Y146-H268 AromaticContact CE2-NE2 3.66Å; Y146-H268 AromaticContact CZ-CD2 3.48Å; Y146-H268 VanDerWaalsContact CZ-CD2 3.48Å; Y146-H268 AromaticContact CZ-CE1 3.08Å; Y146-H268 AromaticContact CZ-CG 3.17Å; Y146-H268 AromaticContact CZ-ND1 2.96Å; Y146-H268 AromaticContact CZ-NE2 3.39Å; Y146-H268 PolarHBondContact OH-CD2 3Å; Y146-H268 PolarHBondContact OH-CE1 3.48Å; Y146-H268 PolarHBondContact OH-ND1 3.1Å; Y146-H268 PolarHBondContact OH-NE2 2.88Å |
| 147 | V | 79.9 | Confident | 74.8 | Confident | 47 Ų | 47 | 64 Ų | 64 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 178.3 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | V115 L119 L143 H144 A150 W151 | V115-V147 HydrophobicContact CG1-CG1 3.58Å; L119-V147 HydrophobicContact CD1-CB 4.41Å; L119-V147 HydrophobicContact CD1-CG1 3.44Å; L119-V147 VanDerWaalsContact CD1-CG1 3.44Å; L119-V147 HydrophobicContact CG-CG1 4.02Å; L143-V147 WeakPolarHBondContact O-CG2 3.25Å; L143-V147 PolarHBondContact O-N 3.35Å; H144-V147 PolarHBondContact O-N 3.26Å; V147-A150 PolarHBondContact O-N 2.91Å; V147-W151 WeakPolarHBondContact O-CB 3.41Å; V147-W151 PolarHBondContact O-N 3.12Å |
| 148 | E | 80.8 | Confident | 77 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 176 | -169.2 | 173.5 | -176.8 | 0 | 0 | 112.3 | K60 H144 Y146 W151 G152 | K60-E148 IonicContact NZ-OE1 2.99Å; K60-E148 PolarHBondContact NZ-OE1 2.98Å; H144-E148 WeakPolarHBondContact O-CB 3.43Å; H144-E148 PolarHBondContact O-N 3.3Å; Y146-E148 VanDerWaalsContact C-N 3.33Å; E148-W151 HydrophobicContact CG-CE3 4.4Å; E148-G152 PolarHBondContact O-N 2.95Å |
| 149 | L | 81.9 | Confident | 79.1 | Confident | 56 Ų | 56 | 54.7 Ų | 54.7 | 29% | 0.293 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 174.2 | -75 | 172.5 | 0 | 0 | 0 | 112.3 | R145 Y146 G152 F153 F261 L265 | R145-L149 VanDerWaalsContact O-CB 3.32Å; R145-L149 WeakPolarHBondContact O-CB 3.31Å; R145-L149 WeakPolarHBondContact O-CG 3.41Å; R145-L149 PolarHBondContact O-N 3.5Å; Y146-L149 PolarHBondContact O-N 2.73Å; L149-G152 PolarHBondContact O-N 3.32Å; L149-F153 VanDerWaalsContact O-CB 3.3Å; L149-F153 WeakPolarHBondContact O-CB 3.16Å; L149-F153 PolarHBondContact O-N 2.95Å; L149-F261 HydrophobicContact CD2-CD1 4.07Å; L149-F261 HydrophobicContact CD2-CE1 4.04Å; L149-L265 HydrophobicContact CB-CD2 4.07Å |
| 150 | A | 84.8 | Confident | 81.1 | Confident | 21 Ų | 21 | 51.5 Ų | 51.5 | 17% | 0.174 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y146 V147 F153 S154 | Y146-A150 VanDerWaalsContact O-CB 3.25Å; Y146-A150 WeakPolarHBondContact O-CB 3.31Å; Y146-A150 PolarHBondContact O-N 2.99Å; V147-A150 PolarHBondContact O-N 2.91Å; A150-F153 PolarHBondContact O-N 3.44Å; A150-S154 PolarHBondContact O-N 2.78Å; A150-S154 PolarHBondContact O-OG 2.78Å |
| 151 | W | 87.5 | Confident | 82.7 | Confident | 34 Ų | 34 | 49.3 Ų | 49.3 | 13% | 0.129 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 173.2 | 171.1 | 72 | 0 | 0 | 0 | 112.3 | K60 S64 V115 S116 V147 E148 S154 T155 | K60-W151 HydrophobicContact CB-CH2 3.63Å; K60-W151 HydrophobicContact CB-CZ2 3.95Å; K60-W151 HydrophobicContact CB-CZ3 4.43Å; K60-W151 HydrophobicContact CD-CH2 3.7Å; K60-W151 HydrophobicContact CD-CZ3 3.81Å; K60-W151 HydrophobicContact CG-CH2 3.7Å; K60-W151 HydrophobicContact CG-CZ2 4.47Å; K60-W151 HydrophobicContact CG-CZ3 4.33Å; S64-W151 PolarHBondContact OG-NE1 3.04Å; V115-W151 HydrophobicContact CG1-CB 3.71Å; V115-W151 HydrophobicContact CG1-CG 4.49Å; S116-W151 PolarHBondContact OG-NE1 3.47Å; V147-W151 WeakPolarHBondContact O-CB 3.41Å; V147-W151 PolarHBondContact O-N 3.12Å; E148-W151 HydrophobicContact CG-CE3 4.4Å; W151-S154 PolarHBondContact O-N 3.49Å; W151-T155 PolarHBondContact O-N 3.32Å; W151-T155 VanDerWaalsContact O-N 3.1Å; W151-T155 PolarHBondContact O-OG1 3.48Å |
| 152 | G | 86.3 | Confident | 84.2 | Confident | 22 Ų | 22 | 46.7 Ų | 46.7 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E148 L149 T155 A156 | E148-G152 PolarHBondContact O-N 2.95Å; L149-G152 PolarHBondContact O-N 3.32Å; G152-T155 PolarHBondContact O-N 2.91Å; G152-A156 PolarHBondContact O-N 2.77Å |
| 153 | F | 86.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 17% | 0.171 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 177.4 | 173.4 | -106.2 | 0 | 0 | 0 | 112.2 | L149 A150 T155 A156 L157 A258 F261 L265 | L149-F153 VanDerWaalsContact O-CB 3.3Å; L149-F153 WeakPolarHBondContact O-CB 3.16Å; L149-F153 PolarHBondContact O-N 2.95Å; A150-F153 PolarHBondContact O-N 3.44Å; F153-T155 VanDerWaalsContact C-N 3.28Å; F153-T155 PolarHBondContact O-N 3.46Å; F153-A156 PolarHBondContact O-N 3.31Å; F153-L157 HydrophobicContact CE1-CD2 4Å; F153-L157 HydrophobicContact CZ-CD2 4Å; F153-L157 VanDerWaalsContact O-CB 3.32Å; F153-L157 WeakPolarHBondContact O-CB 3.19Å; F153-L157 PolarHBondContact O-N 3.46Å; F153-A258 HydrophobicContact CE2-CB 4.2Å; F153-A258 WeakPolarHBondContact CE2-O 3.5Å; F153-F261 HydrophobicContact CB-CB 4.21Å; F153-F261 HydrophobicContact CD2-CB 3.72Å; F153-F261 HydrophobicContact CG-CB 4.39Å; F153-L265 HydrophobicContact CB-CD1 4.35Å; F153-L265 HydrophobicContact CD1-CD1 4.35Å; F153-L265 HydrophobicContact CG-CD1 4.28Å |
| 154 | S | 90.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.2 | -31.6 | 178.8 | -58.3 | 0 | 0 | 0 | 0 | 112.6 | V108 F111 A150 W151 G158 | V108-S154 WeakPolarHBondContact CG1-O 3.47Å; F111-S154 WeakPolarHBondContact CD1-OG 3.25Å; F111-S154 WeakPolarHBondContact CE1-OG 3.46Å; A150-S154 PolarHBondContact O-N 2.78Å; A150-S154 PolarHBondContact O-OG 2.78Å; W151-S154 PolarHBondContact O-N 3.49Å; S154-G158 PolarHBondContact O-N 3.35Å |
| 155 | T | 89.4 | Confident | 87.6 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.5 | -43.7 | 174.3 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | W151 G152 F153 T159 | W151-T155 PolarHBondContact O-N 3.32Å; W151-T155 VanDerWaalsContact O-N 3.1Å; W151-T155 PolarHBondContact O-OG1 3.48Å; G152-T155 PolarHBondContact O-N 2.91Å; F153-T155 VanDerWaalsContact C-N 3.28Å; F153-T155 PolarHBondContact O-N 3.46Å; T155-T159 PolarHBondContact O-N 3.25Å; T155-T159 PolarHBondContact O-OG1 3.45Å |
| 156 | A | 89.1 | Confident | 88.4 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G152 F153 T159 F160 | G152-A156 PolarHBondContact O-N 2.77Å; F153-A156 PolarHBondContact O-N 3.31Å; A156-T159 PolarHBondContact O-N 2.96Å; A156-F160 PolarHBondContact O-N 2.92Å |
| 157 | L | 90.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 32.9 Ų | 32.9 | 22% | 0.22 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 178.6 | -174.4 | 66.3 | 0 | 0 | 0 | 111.7 | V108 F153 T159 F160 L161 | V108-L157 HydrophobicContact CG1-CB 4.19Å; V108-L157 HydrophobicContact CG1-CD2 4.36Å; V108-L157 HydrophobicContact CG1-CG 4.37Å; V108-L157 HydrophobicContact CG2-CD2 3.83Å; V108-L157 HydrophobicContact CG2-CG 4.37Å; F153-L157 HydrophobicContact CE1-CD2 4Å; F153-L157 HydrophobicContact CZ-CD2 4Å; F153-L157 VanDerWaalsContact O-CB 3.32Å; F153-L157 WeakPolarHBondContact O-CB 3.19Å; F153-L157 PolarHBondContact O-N 3.46Å; L157-T159 VanDerWaalsContact C-N 3.33Å; L157-T159 PolarHBondContact O-N 3.15Å; L157-F160 HydrophobicContact CD1-CD1 4.48Å; L157-F160 PolarHBondContact O-N 3.42Å; L157-L161 HydrophobicContact CG-CD1 4.1Å; L157-L161 WeakPolarHBondContact O-CB 2.94Å; L157-L161 VanDerWaalsContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 2.91Å |
| 158 | G | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S154 L161 F162 | S154-G158 PolarHBondContact O-N 3.35Å; G158-L161 PolarHBondContact O-N 3.49Å; G158-F162 WeakPolarHBondContact O-CB 3.32Å; G158-F162 PolarHBondContact O-N 3.41Å |
| 159 | T | 91.3 | Very high | 90.1 | Very high | 38 Ų | 38 | 30.7 Ų | 30.7 | 23% | 0.233 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | 174.4 | -51.4 | 0 | 0 | 0 | 0 | 111.6 | T155 A156 L157 F162 L163 F254 | T155-T159 PolarHBondContact O-N 3.25Å; T155-T159 PolarHBondContact O-OG1 3.45Å; A156-T159 PolarHBondContact O-N 2.96Å; L157-T159 VanDerWaalsContact C-N 3.33Å; L157-T159 PolarHBondContact O-N 3.15Å; T159-F162 WeakPolarHBondContact O-CB 3.25Å; T159-F162 PolarHBondContact O-N 3.43Å; T159-L163 HydrophobicContact CG2-CD1 4.19Å; T159-L163 WeakPolarHBondContact O-CD1 3.09Å; T159-L163 PolarHBondContact O-N 3.04Å; T159-L163 VanDerWaalsContact O-N 3.08Å; T159-F254 HydrophobicContact CG2-CE1 3.97Å; T159-F254 HydrophobicContact CG2-CZ 4.01Å |
| 160 | F | 92.8 | Very high | 90.4 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 17% | 0.171 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 175.5 | 172.8 | -96.7 | 0 | 0 | 0 | 112 | A156 L157 F162 L163 A164 F254 M255 | A156-F160 PolarHBondContact O-N 2.92Å; L157-F160 HydrophobicContact CD1-CD1 4.48Å; L157-F160 PolarHBondContact O-N 3.42Å; F160-F162 VanDerWaalsContact C-N 3.29Å; F160-F162 PolarHBondContact O-N 2.95Å; F160-L163 WeakPolarHBondContact O-CB 3.31Å; F160-L163 PolarHBondContact O-N 2.7Å; F160-A164 PolarHBondContact O-N 3.36Å; F160-F254 HydrophobicContact CB-CB 4.2Å; F160-F254 HydrophobicContact CD2-CB 3.92Å; F160-M255 HydrophobicContact CE1-CE 3.77Å; F160-M255 HydrophobicContact CE2-CB 4.38Å; F160-M255 HydrophobicContact CE2-CE 3.77Å; F160-M255 HydrophobicContact CZ-CE 3.21Å; F160-M255 HydrophobicContact CZ-SD 4.4Å |
| 161 | L | 93.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.1 | -34.7 | 177.2 | -71 | 168.8 | 0 | 0 | 0 | 111.6 | V104 L105 V108 L157 G158 L163 A164 E165 | V104-L161 HydrophobicContact CB-CD1 4.31Å; V104-L161 HydrophobicContact CG1-CD1 3.6Å; L105-L161 HydrophobicContact CB-CB 4.08Å; L105-L161 HydrophobicContact CD1-CB 4.1Å; L105-L161 HydrophobicContact CG-CB 4.35Å; V108-L161 HydrophobicContact CB-CD1 4.48Å; V108-L161 HydrophobicContact CG2-CD1 4.1Å; L157-L161 HydrophobicContact CG-CD1 4.1Å; L157-L161 WeakPolarHBondContact O-CB 2.94Å; L157-L161 VanDerWaalsContact O-CG 3.31Å; L157-L161 WeakPolarHBondContact O-CG 3.49Å; L157-L161 PolarHBondContact O-N 2.91Å; G158-L161 PolarHBondContact O-N 3.49Å; L161-L163 VanDerWaalsContact C-N 3.32Å; L161-L163 PolarHBondContact O-N 3.22Å; L161-A164 PolarHBondContact O-N 3.43Å; L161-E165 WeakPolarHBondContact O-CB 3.5Å; L161-E165 PolarHBondContact O-N 3.47Å |
| 162 | F | 93.8 | Very high | 90.5 | Very high | 50 Ų | 50 | 28.2 Ų | 28.2 | 22% | 0.219 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 174.6 | -177.5 | -96.3 | 0 | 0 | 0 | 111.6 | L71 A75 L105 G158 T159 F160 E165 V166 | L71-F162 HydrophobicContact CB-CD2 4.25Å; L71-F162 HydrophobicContact CD2-CD1 4.03Å; L71-F162 HydrophobicContact CD2-CD2 4.07Å; L71-F162 HydrophobicContact CD2-CE1 3.94Å; L71-F162 HydrophobicContact CD2-CE2 3.99Å; L71-F162 HydrophobicContact CD2-CG 4.09Å; L71-F162 HydrophobicContact CD2-CZ 3.92Å; A75-F162 HydrophobicContact CB-CD2 4.16Å; A75-F162 HydrophobicContact CB-CE2 4.23Å; L105-F162 VanDerWaalsContact CD1-CA 3.4Å; L105-F162 HydrophobicContact CD1-CB 3.92Å; L105-F162 HydrophobicContact CD1-CD2 4.32Å; G158-F162 WeakPolarHBondContact O-CB 3.32Å; G158-F162 PolarHBondContact O-N 3.41Å; T159-F162 WeakPolarHBondContact O-CB 3.25Å; T159-F162 PolarHBondContact O-N 3.43Å; F160-F162 VanDerWaalsContact C-N 3.29Å; F160-F162 PolarHBondContact O-N 2.95Å; F162-E165 WeakPolarHBondContact O-CB 3.46Å; F162-E165 PolarHBondContact O-N 2.97Å; F162-V166 HydrophobicContact CE1-CG2 4.34Å; F162-V166 WeakPolarHBondContact O-CG2 3.33Å; F162-V166 PolarHBondContact O-N 2.94Å; F162-V166 VanDerWaalsContact O-N 3.17Å |
| 163 | L | 93 | Very high | 90.4 | Very high | 32 Ų | 32 | 32.1 Ų | 32.1 | 17% | 0.168 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 171.9 | -92.6 | 76.3 | 0 | 0 | 0 | 111.4 | T159 F160 L161 E165 V166 V167 M247 V250 F254 | T159-L163 HydrophobicContact CG2-CD1 4.19Å; T159-L163 WeakPolarHBondContact O-CD1 3.09Å; T159-L163 PolarHBondContact O-N 3.04Å; T159-L163 VanDerWaalsContact O-N 3.08Å; F160-L163 WeakPolarHBondContact O-CB 3.31Å; F160-L163 PolarHBondContact O-N 2.7Å; L161-L163 VanDerWaalsContact C-N 3.32Å; L161-L163 PolarHBondContact O-N 3.22Å; L163-E165 VanDerWaalsContact C-N 3.32Å; L163-E165 PolarHBondContact O-N 3.22Å; L163-V166 PolarHBondContact O-N 3.02Å; L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 3.05Å; L163-M247 HydrophobicContact CB-CE 3.35Å; L163-M247 HydrophobicContact CD2-CE 3.63Å; L163-M247 HydrophobicContact CG-CE 3.35Å; L163-M247 VanDerWaalsContact O-CE 3.26Å; L163-M247 WeakPolarHBondContact O-CE 3.3Å; L163-V250 HydrophobicContact CD2-CB 4.28Å; L163-V250 HydrophobicContact CD2-CG1 3.59Å; L163-F254 HydrophobicContact CD2-CD2 4.26Å; L163-F254 HydrophobicContact CD2-CE2 4.33Å |
| 164 | A | 92.2 | Very high | 90.1 | Very high | 27 Ų | 27 | 34 Ų | 34 | 22% | 0.223 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F160 L161 V167 L168 | F160-A164 PolarHBondContact O-N 3.36Å; L161-A164 PolarHBondContact O-N 3.43Å; A164-V167 WeakPolarHBondContact O-CB 3.21Å; A164-V167 PolarHBondContact O-N 3.13Å; A164-L168 WeakPolarHBondContact O-CG 3.37Å; A164-L168 PolarHBondContact O-N 3.27Å |
| 165 | E | 93 | Very high | 89.5 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.023 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 176.1 | -169.4 | 72.3 | -179.7 | 0 | 0 | 111.4 | A75 F98 C101 T102 L105 L161 F162 L163 V167 L168 V169 | A75-E165 HydrophobicContact CB-CG 4.45Å; F98-E165 VanDerWaalsContact CE2-OE1 3.31Å; F98-E165 WeakPolarHBondContact CE2-OE1 3.4Å; C101-E165 PolarHBondContact SG-OE2 2.92Å; T102-E165 WeakPolarHBondContact CB-OE1 3.29Å; T102-E165 WeakPolarHBondContact CG2-OE1 3.35Å; T102-E165 PolarHBondContact N-OE2 2.99Å; T102-E165 VanDerWaalsContact OG1-CD 3.24Å; T102-E165 PolarHBondContact OG1-OE1 2.91Å; T102-E165 PolarHBondContact OG1-OE2 2.99Å; L105-E165 HydrophobicContact CD1-CB 4.21Å; L161-E165 WeakPolarHBondContact O-CB 3.5Å; L161-E165 PolarHBondContact O-N 3.47Å; F162-E165 WeakPolarHBondContact O-CB 3.46Å; F162-E165 PolarHBondContact O-N 2.97Å; L163-E165 VanDerWaalsContact C-N 3.32Å; L163-E165 PolarHBondContact O-N 3.22Å; E165-V167 VanDerWaalsContact C-N 3.29Å; E165-V167 PolarHBondContact O-N 3.35Å; E165-L168 PolarHBondContact O-N 3.47Å; E165-V169 WeakPolarHBondContact O-CG2 3.4Å; E165-V169 PolarHBondContact O-N 3.38Å |
| 166 | V | 91.6 | Very high | 88.5 | Confident | 75 Ų | 75 | 34.7 Ų | 34.7 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.2 | -40.6 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | F162 L163 G170 M247 | F162-V166 HydrophobicContact CE1-CG2 4.34Å; F162-V166 WeakPolarHBondContact O-CG2 3.33Å; F162-V166 PolarHBondContact O-N 2.94Å; F162-V166 VanDerWaalsContact O-N 3.17Å; L163-V166 PolarHBondContact O-N 3.02Å; V166-G170 PolarHBondContact O-N 3.06Å; V166-G170 VanDerWaalsContact O-N 3.1Å; V166-M247 HydrophobicContact CG1-SD 4.47Å |
| 167 | V | 91.4 | Very high | 87.3 | Confident | 22 Ų | 22 | 38.6 Ų | 38.6 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.8 | -49.7 | 174.5 | 174 | 0 | 0 | 0 | 0 | 110.3 | L163 A164 E165 V169 G170 W171 T244 M247 | L163-V167 WeakPolarHBondContact O-CG2 3.2Å; L163-V167 PolarHBondContact O-N 3.05Å; A164-V167 WeakPolarHBondContact O-CB 3.21Å; A164-V167 PolarHBondContact O-N 3.13Å; E165-V167 VanDerWaalsContact C-N 3.29Å; E165-V167 PolarHBondContact O-N 3.35Å; V167-V169 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.35Å; V167-G170 CarbonylContact O-C 3.42Å; V167-G170 WeakPolarHBondContact O-CA 3.36Å; V167-G170 PolarHBondContact O-N 3.27Å; V167-W171 PolarHBondContact O-N 3.09Å; V167-T244 HydrophobicContact CG1-CG2 4.25Å; V167-M247 HydrophobicContact CG2-CB 4.05Å; V167-M247 HydrophobicContact CG2-CE 3.9Å; V167-M247 HydrophobicContact CG2-CG 4.24Å; V167-M247 HydrophobicContact CG2-SD 3.38Å; V167-M247 WeakPolarHBondContact CG2-SD 3.47Å |
| 168 | L | 90.9 | Very high | 85.7 | Confident | 28 Ų | 28 | 37.5 Ų | 37.5 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | -179.8 | -72.8 | 166.3 | 0 | 0 | 0 | 112.3 | L94 A97 F98 C101 A164 E165 G170 W171 V172 | L94-L168 HydrophobicContact CD1-CD2 3.97Å; A97-L168 HydrophobicContact CB-CD2 4.36Å; F98-L168 HydrophobicContact CD2-CB 4.02Å; C101-L168 HydrophobicContact CB-CD1 3.48Å; C101-L168 VanDerWaalsContact CB-CD1 3.48Å; A164-L168 WeakPolarHBondContact O-CG 3.37Å; A164-L168 PolarHBondContact O-N 3.27Å; E165-L168 PolarHBondContact O-N 3.47Å; L168-G170 VanDerWaalsContact C-N 3.3Å; L168-G170 PolarHBondContact O-N 3.15Å; L168-W171 WeakPolarHBondContact O-CB 3.32Å; L168-W171 PolarHBondContact O-N 3.4Å; L168-W171 VanDerWaalsContact O-N 3.14Å; L168-V172 WeakPolarHBondContact O-CG2 3.33Å; L168-V172 PolarHBondContact O-N 3.16Å |
| 169 | V | 90 | Very high | 84 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 173.2 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V82 F98 E165 V167 W171 V172 K173 | V82-V169 HydrophobicContact CG2-CG1 4.25Å; F98-V169 HydrophobicContact CE2-CG2 3.83Å; F98-V169 HydrophobicContact CZ-CG2 4.48Å; E165-V169 WeakPolarHBondContact O-CG2 3.4Å; E165-V169 PolarHBondContact O-N 3.38Å; V167-V169 VanDerWaalsContact C-N 3.34Å; V167-V169 PolarHBondContact O-N 3.35Å; V169-W171 VanDerWaalsContact C-N 3.35Å; V169-W171 PolarHBondContact O-N 3.38Å; V169-V172 PolarHBondContact O-N 3.36Å; V169-K173 HydrophobicContact CG1-CG 4.5Å; V169-K173 WeakPolarHBondContact O-CB 3.29Å; V169-K173 PolarHBondContact O-N 3.14Å |
| 170 | G | 87.6 | Confident | 82 | Confident | 10 Ų | 10 | 42.8 Ų | 42.8 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V166 V167 L168 K173 F174 | V166-G170 PolarHBondContact O-N 3.06Å; V166-G170 VanDerWaalsContact O-N 3.1Å; V167-G170 CarbonylContact O-C 3.42Å; V167-G170 WeakPolarHBondContact O-CA 3.36Å; V167-G170 PolarHBondContact O-N 3.27Å; L168-G170 VanDerWaalsContact C-N 3.3Å; L168-G170 PolarHBondContact O-N 3.15Å; G170-K173 PolarHBondContact O-N 2.9Å; G170-F174 VanDerWaalsContact O-CB 3.28Å; G170-F174 WeakPolarHBondContact O-CB 3.41Å; G170-F174 WeakPolarHBondContact O-CD2 3.41Å; G170-F174 WeakPolarHBondContact O-CG 3.34Å; G170-F174 PolarHBondContact O-N 3.36Å |
| 171 | W | 87.8 | Confident | 79.9 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.8 | -76.8 | 96.9 | 0 | 0 | 0 | 112.4 | L94 V167 L168 V169 K173 F174 V175 W237 A240 M241 T244 | L94-W171 HydrophobicContact CD1-CB 3.79Å; L94-W171 HydrophobicContact CD2-CB 4.21Å; V167-W171 PolarHBondContact O-N 3.09Å; L168-W171 WeakPolarHBondContact O-CB 3.32Å; L168-W171 PolarHBondContact O-N 3.4Å; L168-W171 VanDerWaalsContact O-N 3.14Å; V169-W171 VanDerWaalsContact C-N 3.35Å; V169-W171 PolarHBondContact O-N 3.38Å; W171-K173 VanDerWaalsContact C-N 3.28Å; W171-K173 PolarHBondContact O-N 3.34Å; W171-F174 PolarHBondContact O-N 3.42Å; W171-V175 HydrophobicContact CE3-CG2 4.02Å; W171-V175 VanDerWaalsContact O-CB 3.23Å; W171-V175 WeakPolarHBondContact O-CB 3.35Å; W171-V175 WeakPolarHBondContact O-CG2 3.49Å; W171-V175 PolarHBondContact O-N 3.49Å; W171-W237 HydrophobicContact CE3-CZ3 4.49Å; W171-W237 HydrophobicContact CH2-CE3 4.47Å; W171-W237 HydrophobicContact CH2-CH2 4.12Å; W171-W237 HydrophobicContact CH2-CZ2 4.17Å; W171-W237 HydrophobicContact CH2-CZ3 4.28Å; W171-W237 HydrophobicContact CZ3-CD2 4.15Å; W171-W237 AromaticContact CZ3-CE3 3.72Å; W171-W237 HydrophobicContact CZ3-CE3 3.72Å; W171-W237 AromaticContact CZ3-CH2 3.82Å; W171-W237 HydrophobicContact CZ3-CH2 3.82Å; W171-W237 HydrophobicContact CZ3-CZ2 4.25Å; W171-W237 AromaticContact CZ3-CZ3 3.55Å; W171-W237 HydrophobicContact CZ3-CZ3 3.55Å; W171-A240 HydrophobicContact CD2-CB 3.79Å; W171-A240 HydrophobicContact CE3-CB 3.78Å; W171-A240 HydrophobicContact CG-CB 4.37Å; W171-A240 HydrophobicContact CH2-CB 4.22Å; W171-A240 HydrophobicContact CZ2-CB 4.21Å; W171-A240 HydrophobicContact CZ3-CB 4Å; W171-M241 HydrophobicContact CH2-CG 3.84Å; W171-M241 HydrophobicContact CZ2-CG 4.29Å; W171-T244 PolarHBondContact NE1-OG1 3.48Å |
| 172 | V | 86.9 | Confident | 77.7 | Confident | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.7 | -37.4 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | V82 Y90 L94 F98 L168 V169 P176 | V82-V172 HydrophobicContact CG1-CG1 4.26Å; V82-V172 HydrophobicContact CG2-CG1 4.22Å; Y90-V172 WeakPolarHBondContact CE1-O 3.37Å; L94-V172 HydrophobicContact CD2-CG2 4.07Å; L94-V172 HydrophobicContact CG-CG2 4.14Å; F98-V172 HydrophobicContact CG-CG2 4.42Å; L168-V172 WeakPolarHBondContact O-CG2 3.33Å; L168-V172 PolarHBondContact O-N 3.16Å; V169-V172 PolarHBondContact O-N 3.36Å; V172-P176 WeakPolarHBondContact O-CD 3.46Å |
| 173 | K | 84.3 | Confident | 75 | Confident | 104 Ų | 104 | 62.5 Ų | 62.5 | 45% | 0.452 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -78.9 | -36.6 | 179.1 | -79.6 | -84 | 164.9 | 73.1 | 0 | 114.1 | V82 V169 G170 W171 | V82-K173 HydrophobicContact CG2-CG 4.49Å; V169-K173 HydrophobicContact CG1-CG 4.5Å; V169-K173 WeakPolarHBondContact O-CB 3.29Å; V169-K173 PolarHBondContact O-N 3.14Å; G170-K173 PolarHBondContact O-N 2.9Å; W171-K173 VanDerWaalsContact C-N 3.28Å; W171-K173 PolarHBondContact O-N 3.34Å |
| 174 | F | 81.1 | Confident | 72.5 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 35% | 0.346 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -95.5 | -17.5 | -172.7 | -64.5 | -58.6 | 0 | 0 | 0 | 114 | G170 W171 I177 G236 A239 A240 | G170-F174 VanDerWaalsContact O-CB 3.28Å; G170-F174 WeakPolarHBondContact O-CB 3.41Å; G170-F174 WeakPolarHBondContact O-CD2 3.41Å; G170-F174 WeakPolarHBondContact O-CG 3.34Å; G170-F174 PolarHBondContact O-N 3.36Å; W171-F174 PolarHBondContact O-N 3.42Å; F174-I177 HydrophobicContact CD1-CD1 3.97Å; F174-I177 PolarHBondContact O-N 3.02Å; F174-G236 WeakPolarHBondContact CB-O 3.39Å; F174-G236 CarbonylContact O-C 3.6Å; F174-G236 VanDerWaalsContact O-CA 3.25Å; F174-G236 WeakPolarHBondContact O-CA 3.5Å; F174-A239 HydrophobicContact CD1-CB 4.45Å; F174-A239 HydrophobicContact CG-CB 4.46Å; F174-A240 HydrophobicContact CB-CB 4.12Å |
| 175 | V | 77.1 | Confident | 70.1 | Confident | 32 Ų | 32 | 69 Ų | 69 | 19% | 0.194 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -58.4 | -45.2 | 174.3 | 164 | 0 | 0 | 0 | 0 | 112.9 | L94 W171 I177 G178 | L94-V175 HydrophobicContact CD2-CG2 4.18Å; W171-V175 HydrophobicContact CE3-CG2 4.02Å; W171-V175 VanDerWaalsContact O-CB 3.23Å; W171-V175 WeakPolarHBondContact O-CB 3.35Å; W171-V175 WeakPolarHBondContact O-CG2 3.49Å; W171-V175 PolarHBondContact O-N 3.49Å; V175-I177 PolarHBondContact O-N 2.9Å; V175-G178 PolarHBondContact O-N 3.24Å |
| 176 | P | 69.6 | Low | 67.4 | Low | 25 Ų | 25 | 74.5 Ų | 74.5 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -60.9 | -27.8 | 179.2 | -25.9 | 35.8 | 0 | 0 | 0 | 114.7 | Y90 V172 G178 | Y90-P176 HydrophobicContact CE1-CG 3.51Å; Y90-P176 VanDerWaalsContact OH-CG 3.31Å; Y90-P176 WeakPolarHBondContact OH-CG 3.42Å; V172-P176 WeakPolarHBondContact O-CD 3.46Å; P176-G178 PolarHBondContact O-N 2.99Å |
| 177 | I | 63.7 | Low | 65.1 | Low | 102 Ų | 102 | 77.3 Ų | 77.3 | 52% | 0.523 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -73.6 | -18.1 | -176.6 | -55 | 178.7 | 0 | 0 | 0 | 111.7 | F174 V175 | F174-I177 HydrophobicContact CD1-CD1 3.97Å; F174-I177 PolarHBondContact O-N 3.02Å; V175-I177 PolarHBondContact O-N 2.9Å |
| 178 | G | 55.8 | Low | 62.6 | Low | 19 Ų | 19 | 82.3 Ų | 82.3 | 20% | 0.196 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -91.4 | -9.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V175 P176 | V175-G178 PolarHBondContact O-N 3.24Å; P176-G178 PolarHBondContact O-N 2.99Å |
| 179 | A | 57.1 | Low | 60 | Low | 38 Ų | 38 | 86.3 Ų | 86.3 | 31% | 0.314 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -81.9 | 123.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | H88 M181 | H88-A179 VanDerWaalsContact CE1-CB 3.46Å; H88-A179 WeakPolarHBondContact CE1-CB 3.44Å; H88-A179 WeakPolarHBondContact NE2-CB 3.43Å; A179-M181 PolarHBondContact O-N 3.21Å; A179-M181 VanDerWaalsContact O-N 3.15Å |
| 180 | P | 49.5 | Very low | 57.4 | Low | 110 Ų | 110 | 94.1 Ų | 94.1 | 71% | 0.714 | 53% | 0.533 | S | S | * | . | trans | -65 | 118 | 171 | 25.7 | -30.2 | 0 | 0 | 0 | 108.8 | N182 | P180-N182 PolarHBondContact O-N 3.2Š| ||
| 181 | M | 48.2 | Very low | 54.8 | Low | 182 Ų | 182 | 99 Ų | 99 | 90% | 0.897 | 57% | 0.566 | S | S | * | * | trans | -62.4 | 83.6 | 163.2 | -83.9 | -163.1 | 83.3 | 0 | 0 | 109.2 | A179 | A179-M181 PolarHBondContact O-N 3.21Å; A179-M181 VanDerWaalsContact O-N 3.15Å | ||
| 182 | N | 47.5 | Very low | 52.3 | Low | 150 Ų | 150 | 105.3 Ų | 105.3 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | trans | -120.9 | 67.1 | 161.3 | -87.3 | -24.2 | 0 | 0 | 0 | 108.2 | P180 | P180-N182 PolarHBondContact O-N 3.2Š| ||
| 183 | K | 36.5 | Very low | 49.5 | Very low | 192 Ų | 192 | 111.5 Ų | 111.5 | 84% | 0.835 | 64% | 0.635 | S | S | * | * | trans | -110.3 | 111.4 | 150.8 | -123.2 | 172.6 | -176.7 | 166.7 | 0 | 105.4 | A185 | K183-A185 PolarHBondContact O-N 2.86Š| ||
| 184 | P | 41.4 | Very low | 47.3 | Very low | 119 Ų | 119 | 111.2 Ų | 111.2 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | trans | -56.2 | 118.2 | 167.2 | -14.3 | 26.6 | 0 | 0 | 0 | 106.4 | ||||
| 185 | A | 40.1 | Very low | 45.1 | Very low | 77 Ų | 77 | 113.1 Ų | 113.1 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | trans | -52.2 | 136 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | K183 V187 | K183-A185 PolarHBondContact O-N 2.86Å; A185-V187 PolarHBondContact O-N 3.1Å | ||
| 186 | P | 37.5 | Very low | 42.9 | Very low | 120 Ų | 120 | 117.9 Ų | 117.9 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | trans | -57.1 | 112.5 | 169.4 | -18 | 29.8 | 0 | 0 | 0 | 107.3 | V188 | P186-V188 VanDerWaalsContact C-N 3.34Å; P186-V188 PolarHBondContact O-N 2.88Å | ||
| 187 | V | 42.9 | Very low | 40.9 | Very low | 134 Ų | 134 | 123 Ų | 123 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -61.3 | 102 | 170.3 | 179.8 | 0 | 0 | 0 | 0 | 105.7 | A185 P189 | A185-V187 PolarHBondContact O-N 3.1Å; V187-P189 WeakPolarHBondContact O-CD 3.35Å | ||
| 188 | V | 39.7 | Very low | 39.4 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 121.2 | 165.9 | 179.3 | 0 | 0 | 0 | 0 | 106 | P186 M190 | P186-V188 VanDerWaalsContact C-N 3.34Å; P186-V188 PolarHBondContact O-N 2.88Å; V188-M190 PolarHBondContact O-N 3.08Å |
| 189 | P | 35.9 | Very low | 38.1 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 129.2 | -179.5 | -17.8 | 30.8 | 0 | 0 | 0 | 110.3 | V187 S191 | V187-P189 WeakPolarHBondContact O-CD 3.35Å; P189-S191 PolarHBondContact O-N 3.11Å |
| 190 | M | 34.2 | Very low | 36.7 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 96% | 0.956 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 127 | 170.7 | -165.5 | 153.3 | -168.8 | 0 | 0 | 110.1 | V188 | V188-M190 PolarHBondContact O-N 3.08Š|
| 191 | S | 33.9 | Very low | 35.6 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -129 | 127.6 | 164.3 | -155.1 | 0 | 0 | 0 | 0 | 109.1 | P189 | P189-S191 PolarHBondContact O-N 3.11Š| ||
| 192 | Q | 34.6 | Very low | 34.6 | Very low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -51.1 | 156.4 | 175.7 | -67 | 153.4 | -58.9 | 0 | 0 | 110.7 | ||||
| 193 | V | 29.7 | Very low | 33.6 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -170.8 | -177 | 63.8 | -151 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 194 | P | 37.3 | Very low | 33.2 | Very low | 99 Ų | 99 | 126 Ų | 126 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | -104.1 | 173.9 | -108.6 | 40.2 | -22.5 | 0 | 0 | 0 | 115.7 | |||||
| 195 | P | 35.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 126.4 | 162.3 | 32.7 | -26.6 | 0 | 0 | 0 | 111 | T197 | P195-T197 PolarHBondContact O-N 3.43Š|
| 196 | V | 31.1 | Very low | 31.9 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 120.9 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | V198 | V196-V198 HydrophobicContact CG1-CG2 4.17Š|
| 197 | T | 27.5 | Very low | 31.4 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95 | 126.7 | 171.5 | -54.2 | 0 | 0 | 0 | 0 | 108.5 | P195 | P195-T197 PolarHBondContact O-N 3.43Š|
| 198 | V | 31.5 | Very low | 31.2 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | -125.7 | 108.8 | 165.4 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | V196 | V196-V198 HydrophobicContact CG1-CG2 4.17Š| ||
| 199 | S | 28.2 | Very low | 30.5 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | 59.7 | 144.5 | 145.2 | -59.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 200 | L | 27.1 | Very low | 30.1 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | cis | -145.8 | 152 | 18.6 | -87.6 | 99.5 | 0 | 0 | 0 | 110.4 | ||||
| 201 | S | 28.3 | Very low | 29.8 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -67.1 | 140.5 | 165.8 | 46.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 202 | L | 25.8 | Very low | 29.4 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | -172.4 | 144 | 125.7 | -162 | 59.2 | 0 | 0 | 0 | 111.9 | |||||
| 203 | A | 26.4 | Very low | 29.1 | Very low | 80 Ų | 80 | 123 Ų | 123 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | trans | -58.1 | 154 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 204 | S | 29.1 | Very low | 29.1 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 166.4 | 118.7 | 122.1 | -69.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 205 | N | 25.6 | Very low | 28.5 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 39.1 | 128.8 | 133.9 | -84.8 | -5.9 | 0 | 0 | 0 | 123.3 | ||||
| 206 | L | 28.2 | Very low | 28.2 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | 72.1 | 107.5 | 134.6 | -61.1 | 165.5 | 0 | 0 | 0 | 119.1 | ||||
| 207 | T | 27.7 | Very low | 28 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -58.5 | 148.4 | 143.5 | 44.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 208 | P | 38.7 | Very low | 28.2 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | -151.3 | 174.6 | 58.3 | 38 | -16.6 | 0 | 0 | 0 | 116.9 | |||||
| 209 | S | 25.2 | Very low | 28.1 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 121.6 | 111.6 | 150.3 | -61.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 210 | S | 27.1 | Very low | 28.2 | Very low | 111 Ų | 111 | 126 Ų | 126 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 73.2 | 120.6 | 120.8 | -50.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 211 | A | 26.9 | Very low | 28.5 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 77.6 | 136.3 | 144.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 212 | S | 26.8 | Very low | 28.5 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | cis | -170.6 | 155.9 | 22.7 | -27.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 213 | I | 28 | Very low | 28.7 | Very low | 165 Ų | 165 | 124.7 Ų | 124.7 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | 81.2 | 107.7 | 140.2 | -62.1 | 159.4 | 0 | 0 | 0 | 120 | ||||
| 214 | A | 29 | Very low | 29.6 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | 143.7 | 94.4 | 122.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 215 | T | 24.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | 44.1 | 128.2 | 97 | -5.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 216 | S | 29.5 | Very low | 31.4 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | cis | -162.5 | 154.5 | 27.5 | -158 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 217 | Q | 27.1 | Very low | 31.9 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -46.2 | 141.1 | 176 | -76.7 | 152.7 | -19.9 | 0 | 0 | 117.6 | ||||
| 218 | Q | 30.7 | Very low | 32.8 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -49.1 | 140.8 | 150.9 | -179.9 | 165.4 | -67.1 | 0 | 0 | 113.7 | ||||
| 219 | P | 30.1 | Very low | 32.9 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -117.8 | 108.8 | 143.3 | 21.3 | -3.6 | 0 | 0 | 0 | 109.6 | K221 | P219-K221 PolarHBondContact O-N 2.98Š| ||
| 220 | S | 29.2 | Very low | 33.8 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | -57.1 | 110.6 | 167.3 | 43.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 221 | K | 33.7 | Very low | 34.6 | Very low | 206 Ų | 206 | 126.8 Ų | 126.8 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 120.4 | 164 | -92.5 | -173.9 | 176.8 | 172.1 | 0 | 109.3 | P219 | P219-K221 PolarHBondContact O-N 2.98Š|
| 222 | A | 28.7 | Very low | 36 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 131.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 223 | C | 30.3 | Very low | 37.6 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.6 | 158.2 | -72.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 224 | P | 45 | Very low | 39.8 | Very low | 112 Ų | 112 | 120.9 Ų | 120.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 160.9 | 170.4 | 30.7 | -31.6 | 0 | 0 | 0 | 110.5 | R226 | P224-R226 PolarHBondContact O-N 3.39Š|
| 225 | P | 48.1 | Very low | 42.1 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 138.5 | -166.2 | 28.5 | -33.4 | 0 | 0 | 0 | 110.7 | Q227 | P225-Q227 PolarHBondContact O-N 3.38Š|
| 226 | R | 44.4 | Very low | 44.6 | Very low | 241 Ų | 241 | 115.2 Ų | 115.2 | 91% | 0.909 | 69% | 0.693 | S | S | * | * | trans | -48.4 | 96 | 171.1 | -166.4 | 177.3 | 179.8 | 172.8 | -0.5 | 109.6 | P224 V228 | P224-R226 PolarHBondContact O-N 3.39Å; R226-V228 PolarHBondContact O-N 2.95Å; R226-V228 VanDerWaalsContact O-N 3.07Å | ||
| 227 | Q | 39.7 | Very low | 47 | Very low | 172 Ų | 172 | 114.9 Ų | 114.9 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | -73.1 | 103 | 176.9 | -165.4 | 164.4 | -12.8 | 0 | 0 | 108.2 | P225 C229 | P225-Q227 PolarHBondContact O-N 3.38Å; Q227-C229 PolarHBondContact O-N 3.41Å; Q227-C229 VanDerWaalsContact O-N 3.12Å | ||
| 228 | V | 45.5 | Very low | 49.8 | Very low | 132 Ų | 132 | 111.4 Ų | 111.4 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 99.9 | 166.3 | 174.5 | 0 | 0 | 0 | 0 | 107 | R226 | R226-V228 PolarHBondContact O-N 2.95Å; R226-V228 VanDerWaalsContact O-N 3.07Å | ||
| 229 | C | 40.7 | Very low | 52.4 | Low | 82 Ų | 82 | 105.2 Ų | 105.2 | 55% | 0.554 | 64% | 0.638 | S | S | * | * | trans | -127.4 | 102.8 | 159.6 | -74.3 | 0 | 0 | 0 | 0 | 107.9 | Q227 G231 | Q227-C229 PolarHBondContact O-N 3.41Å; Q227-C229 VanDerWaalsContact O-N 3.12Å; C229-G231 PolarHBondContact O-N 2.7Å | ||
| 230 | G | 44.9 | Very low | 55.1 | Low | 85 Ų | 85 | 99.7 Ų | 99.7 | 88% | 0.876 | 60% | 0.603 | S | S | * | * | trans | -61 | 119.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 231 | G | 42.9 | Very low | 57.9 | Low | 52 Ų | 52 | 99.4 Ų | 99.4 | 54% | 0.536 | 59% | 0.591 | S | S | . | * | trans | -168.5 | 133.3 | 170 | 0 | 0 | 0 | 0 | 0 | 107.7 | C229 H233 | C229-G231 PolarHBondContact O-N 2.7Å; G231-H233 PolarHBondContact O-N 3.07Å | ||
| 232 | A | 57.2 | Low | 60.5 | Low | 107 Ų | 107 | 92.1 Ų | 92.1 | 88% | 0.884 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -65.2 | 17.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 233 | H | 60.5 | Low | 63.2 | Low | 101 Ų | 101 | 89.5 Ų | 89.5 | 47% | 0.468 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -127.7 | 125.7 | -171.9 | -63.5 | 95.6 | 0 | 0 | 0 | 110.3 | G231 W237 | G231-H233 PolarHBondContact O-N 3.07Å; H233-W237 HydrophobicContact CB-CB 4.06Å; H233-W237 VanDerWaalsContact CB-CD1 3.42Å; H233-W237 HydrophobicContact CB-CG 3.76Å; H233-W237 AromaticContact CD2-CD1 3.71Å; H233-W237 AromaticContact CD2-CD2 3.78Å; H233-W237 AromaticContact CD2-CE2 3.61Å; H233-W237 AromaticContact CD2-CG 3.86Å; H233-W237 AromaticContact CD2-NE1 3.53Å; H233-W237 AromaticContact CG-CD1 3.66Å; H233-W237 AromaticContact CG-NE1 3.76Å |
| 234 | G | 73.7 | Confident | 66 | Low | 21 Ų | 21 | 85.5 Ų | 85.5 | 22% | 0.216 | 52% | 0.517 | C | S | . | . | trans | -67.6 | 170.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G236 W237 Q238 | G234-G236 VanDerWaalsContact C-N 3.27Å; G234-G236 PolarHBondContact O-N 3.33Å; G234-W237 WeakPolarHBondContact O-CB 3.38Å; G234-W237 PolarHBondContact O-N 3.46Å; G234-Q238 PolarHBondContact O-N 3.23Å | ||
| 235 | P | 77.6 | Confident | 68.3 | Low | 96 Ų | 96 | 83.1 Ų | 83.1 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.2 | -33.2 | -175.5 | 22.3 | -32.3 | 0 | 0 | 0 | 113.4 | Q238 A239 | P235-Q238 PolarHBondContact O-N 3.33Å; P235-A239 PolarHBondContact O-N 2.94Å |
| 236 | G | 77.9 | Confident | 70.3 | Confident | 2 Ų | 2 | 83.7 Ų | 83.7 | 2% | 0.021 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F174 G234 Q238 A239 A240 | F174-G236 WeakPolarHBondContact CB-O 3.39Å; F174-G236 CarbonylContact O-C 3.6Å; F174-G236 VanDerWaalsContact O-CA 3.25Å; F174-G236 WeakPolarHBondContact O-CA 3.5Å; G234-G236 VanDerWaalsContact C-N 3.27Å; G234-G236 PolarHBondContact O-N 3.33Å; G236-Q238 PolarHBondContact O-N 3.33Å; G236-A239 PolarHBondContact O-N 3.11Å; G236-A240 PolarHBondContact O-N 2.9Å |
| 237 | W | 79.9 | Confident | 72.5 | Confident | 95 Ų | 95 | 74.2 Ų | 74.2 | 36% | 0.36 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 175.2 | 179.5 | -86.2 | 0 | 0 | 0 | 111.4 | W171 H233 G234 A239 A240 M241 | W171-W237 HydrophobicContact CE3-CZ3 4.49Å; W171-W237 HydrophobicContact CH2-CE3 4.47Å; W171-W237 HydrophobicContact CH2-CH2 4.12Å; W171-W237 HydrophobicContact CH2-CZ2 4.17Å; W171-W237 HydrophobicContact CH2-CZ3 4.28Å; W171-W237 HydrophobicContact CZ3-CD2 4.15Å; W171-W237 AromaticContact CZ3-CE3 3.72Å; W171-W237 HydrophobicContact CZ3-CE3 3.72Å; W171-W237 AromaticContact CZ3-CH2 3.82Å; W171-W237 HydrophobicContact CZ3-CH2 3.82Å; W171-W237 HydrophobicContact CZ3-CZ2 4.25Å; W171-W237 AromaticContact CZ3-CZ3 3.55Å; W171-W237 HydrophobicContact CZ3-CZ3 3.55Å; H233-W237 HydrophobicContact CB-CB 4.06Å; H233-W237 VanDerWaalsContact CB-CD1 3.42Å; H233-W237 HydrophobicContact CB-CG 3.76Å; H233-W237 AromaticContact CD2-CD1 3.71Å; H233-W237 AromaticContact CD2-CD2 3.78Å; H233-W237 AromaticContact CD2-CE2 3.61Å; H233-W237 AromaticContact CD2-CG 3.86Å; H233-W237 AromaticContact CD2-NE1 3.53Å; H233-W237 AromaticContact CG-CD1 3.66Å; H233-W237 AromaticContact CG-NE1 3.76Å; G234-W237 WeakPolarHBondContact O-CB 3.38Å; G234-W237 PolarHBondContact O-N 3.46Å; W237-A239 VanDerWaalsContact C-N 3.34Å; W237-A239 PolarHBondContact O-N 2.97Å; W237-A240 PolarHBondContact O-N 3.48Å; W237-M241 HydrophobicContact CZ2-SD 4.35Å; W237-M241 PolarHBondContact NE1-SD 3.45Å; W237-M241 WeakPolarHBondContact O-CB 2.92Å; W237-M241 WeakPolarHBondContact O-CG 3.4Å; W237-M241 PolarHBondContact O-N 3.36Å |
| 238 | Q | 85.5 | Confident | 74.9 | Confident | 104 Ų | 104 | 69.5 Ų | 69.5 | 49% | 0.486 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.6 | -39.6 | 177.2 | -64.4 | -167.6 | 1.2 | 0 | 0 | 112.1 | G234 P235 G236 M241 A242 | G234-Q238 PolarHBondContact O-N 3.23Å; P235-Q238 PolarHBondContact O-N 3.33Å; G236-Q238 PolarHBondContact O-N 3.33Å; Q238-M241 PolarHBondContact O-N 3.32Å; Q238-A242 WeakPolarHBondContact O-CB 3.45Å; Q238-A242 PolarHBondContact O-N 3.39Å |
| 239 | A | 86.1 | Confident | 77.1 | Confident | 43 Ų | 43 | 66.7 Ų | 66.7 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | F174 P235 G236 W237 M241 A242 S243 | F174-A239 HydrophobicContact CD1-CB 4.45Å; F174-A239 HydrophobicContact CG-CB 4.46Å; P235-A239 PolarHBondContact O-N 2.94Å; G236-A239 PolarHBondContact O-N 3.11Å; W237-A239 VanDerWaalsContact C-N 3.34Å; W237-A239 PolarHBondContact O-N 2.97Å; A239-M241 PolarHBondContact O-N 2.83Å; A239-A242 PolarHBondContact O-N 3.36Å; A239-S243 WeakPolarHBondContact O-CB 3.18Å; A239-S243 PolarHBondContact O-N 3.38Å |
| 240 | A | 85.8 | Confident | 79.5 | Confident | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W171 F174 G236 W237 S243 T244 | W171-A240 HydrophobicContact CD2-CB 3.79Å; W171-A240 HydrophobicContact CE3-CB 3.78Å; W171-A240 HydrophobicContact CG-CB 4.37Å; W171-A240 HydrophobicContact CH2-CB 4.22Å; W171-A240 HydrophobicContact CZ2-CB 4.21Å; W171-A240 HydrophobicContact CZ3-CB 4Å; F174-A240 HydrophobicContact CB-CB 4.12Å; G236-A240 PolarHBondContact O-N 2.9Å; W237-A240 PolarHBondContact O-N 3.48Å; A240-S243 PolarHBondContact O-N 3.04Å; A240-T244 WeakPolarHBondContact O-CB 3.45Å; A240-T244 PolarHBondContact O-N 3.01Å; A240-T244 PolarHBondContact O-OG1 3.05Å |
| 241 | M | 87.1 | Confident | 81.6 | Confident | 96 Ų | 96 | 62.6 Ų | 62.6 | 47% | 0.473 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.8 | -73.3 | -141.8 | 75 | 0 | 0 | 112.4 | W171 W237 Q238 A239 T244 A245 | W171-M241 HydrophobicContact CH2-CG 3.84Å; W171-M241 HydrophobicContact CZ2-CG 4.29Å; W237-M241 HydrophobicContact CZ2-SD 4.35Å; W237-M241 PolarHBondContact NE1-SD 3.45Å; W237-M241 WeakPolarHBondContact O-CB 2.92Å; W237-M241 WeakPolarHBondContact O-CG 3.4Å; W237-M241 PolarHBondContact O-N 3.36Å; Q238-M241 PolarHBondContact O-N 3.32Å; A239-M241 PolarHBondContact O-N 2.83Å; M241-T244 PolarHBondContact O-N 3.46Å; M241-A245 WeakPolarHBondContact O-CB 3.47Å; M241-A245 PolarHBondContact O-N 2.99Å |
| 242 | A | 88.9 | Confident | 83.9 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 45% | 0.446 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q238 A239 T244 A245 I246 | Q238-A242 WeakPolarHBondContact O-CB 3.45Å; Q238-A242 PolarHBondContact O-N 3.39Å; A239-A242 PolarHBondContact O-N 3.36Å; A242-T244 VanDerWaalsContact C-N 3.34Å; A242-T244 PolarHBondContact O-N 3.33Å; A242-A245 PolarHBondContact O-N 3.37Å; A242-I246 WeakPolarHBondContact O-CG1 3.34Å; A242-I246 PolarHBondContact O-N 3.45Å |
| 243 | S | 86.3 | Confident | 85.5 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 30% | 0.301 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 174.7 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | A239 A240 I246 M247 | A239-S243 WeakPolarHBondContact O-CB 3.18Å; A239-S243 PolarHBondContact O-N 3.38Å; A240-S243 PolarHBondContact O-N 3.04Å; S243-I246 PolarHBondContact O-N 2.99Å; S243-M247 PolarHBondContact O-N 3.07Å |
| 244 | T | 89.5 | Confident | 86.9 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.8 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | V167 W171 A240 M241 A242 I246 M247 V248 | V167-T244 HydrophobicContact CG1-CG2 4.25Å; W171-T244 PolarHBondContact NE1-OG1 3.48Å; A240-T244 WeakPolarHBondContact O-CB 3.45Å; A240-T244 PolarHBondContact O-N 3.01Å; A240-T244 PolarHBondContact O-OG1 3.05Å; M241-T244 PolarHBondContact O-N 3.46Å; A242-T244 VanDerWaalsContact C-N 3.34Å; A242-T244 PolarHBondContact O-N 3.33Å; T244-I246 VanDerWaalsContact C-N 3.27Å; T244-I246 PolarHBondContact O-N 2.94Å; T244-M247 PolarHBondContact O-N 3.22Å; T244-V248 HydrophobicContact CG2-CG2 4.26Å; T244-V248 VanDerWaalsContact O-CG2 3.29Å; T244-V248 WeakPolarHBondContact O-CG2 3.49Å; T244-V248 PolarHBondContact O-N 2.98Å |
| 245 | A | 91.6 | Very high | 87.6 | Confident | 62 Ų | 62 | 65 Ų | 65 | 51% | 0.512 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.5 | -37.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113 | M241 A242 P249 | M241-A245 WeakPolarHBondContact O-CB 3.47Å; M241-A245 PolarHBondContact O-N 2.99Å; A242-A245 PolarHBondContact O-N 3.37Å; A245-P249 WeakPolarHBondContact O-CD 3.49Å |
| 246 | I | 91.2 | Very high | 88.1 | Confident | 132 Ų | 132 | 63.3 Ų | 63.3 | 68% | 0.677 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.7 | -35.4 | 176.7 | -64.4 | 166.4 | 0 | 0 | 0 | 111.3 | A242 S243 T244 P249 | A242-I246 WeakPolarHBondContact O-CG1 3.34Å; A242-I246 PolarHBondContact O-N 3.45Å; S243-I246 PolarHBondContact O-N 2.99Å; T244-I246 VanDerWaalsContact C-N 3.27Å; T244-I246 PolarHBondContact O-N 2.94Å; I246-P249 WeakPolarHBondContact O-CD 3.45Å; I246-P249 WeakPolarHBondContact O-CG 3.2Å |
| 247 | M | 89.6 | Confident | 88.4 | Confident | 43 Ų | 43 | 68.6 Ų | 68.6 | 21% | 0.212 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -82.1 | -22.5 | -179.2 | -75.7 | -163 | 62.7 | 0 | 0 | 114.5 | L163 V166 V167 S243 T244 V250 G251 | L163-M247 HydrophobicContact CB-CE 3.35Å; L163-M247 HydrophobicContact CD2-CE 3.63Å; L163-M247 HydrophobicContact CG-CE 3.35Å; L163-M247 VanDerWaalsContact O-CE 3.26Å; L163-M247 WeakPolarHBondContact O-CE 3.3Å; V166-M247 HydrophobicContact CG1-SD 4.47Å; V167-M247 HydrophobicContact CG2-CB 4.05Å; V167-M247 HydrophobicContact CG2-CE 3.9Å; V167-M247 HydrophobicContact CG2-CG 4.24Å; V167-M247 HydrophobicContact CG2-SD 3.38Å; V167-M247 WeakPolarHBondContact CG2-SD 3.47Å; S243-M247 PolarHBondContact O-N 3.07Å; T244-M247 PolarHBondContact O-N 3.22Å; M247-V250 PolarHBondContact O-N 3.28Å; M247-G251 PolarHBondContact O-N 3.28Å |
| 248 | V | 90.9 | Very high | 88.6 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 44% | 0.436 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -49.9 | -52.3 | 178.3 | 165.3 | 0 | 0 | 0 | 0 | 113.8 | T244 V250 G251 L252 | T244-V248 HydrophobicContact CG2-CG2 4.26Å; T244-V248 VanDerWaalsContact O-CG2 3.29Å; T244-V248 WeakPolarHBondContact O-CG2 3.49Å; T244-V248 PolarHBondContact O-N 2.98Å; V248-V250 VanDerWaalsContact C-N 3.31Å; V248-V250 PolarHBondContact O-N 3.36Å; V248-G251 PolarHBondContact O-N 3.39Å; V248-L252 HydrophobicContact CG1-CD1 3.92Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 WeakPolarHBondContact O-CB 3.49Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 3.49Å |
| 249 | P | 91.4 | Very high | 88.5 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 47% | 0.474 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | -178 | 22.8 | -34 | 0 | 0 | 0 | 112.3 | A245 I246 L252 V253 | A245-P249 WeakPolarHBondContact O-CD 3.49Å; I246-P249 WeakPolarHBondContact O-CD 3.45Å; I246-P249 WeakPolarHBondContact O-CG 3.2Å; P249-L252 PolarHBondContact O-N 3.05Å; P249-V253 WeakPolarHBondContact O-CG2 3.31Å; P249-V253 PolarHBondContact O-N 3.37Å |
| 250 | V | 91.8 | Very high | 88.4 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 42% | 0.418 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 177 | -175.2 | 0 | 0 | 0 | 0 | 110 | L163 M247 V248 L252 V253 F254 | L163-V250 HydrophobicContact CD2-CB 4.28Å; L163-V250 HydrophobicContact CD2-CG1 3.59Å; M247-V250 PolarHBondContact O-N 3.28Å; V248-V250 VanDerWaalsContact C-N 3.31Å; V248-V250 PolarHBondContact O-N 3.36Å; V250-L252 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 2.77Å; V250-V253 PolarHBondContact O-N 3.42Å; V250-F254 HydrophobicContact CG1-CD2 3.9Å; V250-F254 HydrophobicContact CG1-CE2 3.73Å; V250-F254 VanDerWaalsContact O-CD2 3.27Å; V250-F254 WeakPolarHBondContact O-CD2 3.34Å; V250-F254 PolarHBondContact O-N 2.95Å; V250-F254 VanDerWaalsContact O-N 3.13Å |
| 251 | G | 88.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.5 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M247 V248 F254 M255 | M247-G251 PolarHBondContact O-N 3.28Å; V248-G251 PolarHBondContact O-N 3.39Å; G251-F254 PolarHBondContact O-N 3.02Å; G251-M255 VanDerWaalsContact O-CB 3.29Å; G251-M255 WeakPolarHBondContact O-CB 3.47Å; G251-M255 PolarHBondContact O-N 2.95Å |
| 252 | L | 90.8 | Very high | 87.9 | Confident | 112 Ų | 112 | 71.1 Ų | 71.1 | 59% | 0.586 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.5 | -40.2 | 177.2 | -74.6 | 177.3 | 0 | 0 | 0 | 112.4 | V248 P249 V250 M255 A256 | V248-L252 HydrophobicContact CG1-CD1 3.92Å; V248-L252 HydrophobicContact CG1-CG 4.24Å; V248-L252 WeakPolarHBondContact O-CB 3.49Å; V248-L252 WeakPolarHBondContact O-CG 3.36Å; V248-L252 PolarHBondContact O-N 3.49Å; P249-L252 PolarHBondContact O-N 3.05Å; V250-L252 VanDerWaalsContact C-N 3.34Å; V250-L252 PolarHBondContact O-N 2.77Å; L252-M255 PolarHBondContact O-N 3.39Å; L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.29Å |
| 253 | V | 91.9 | Very high | 87.6 | Confident | 83 Ų | 83 | 77 Ų | 77 | 50% | 0.503 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | P249 V250 M255 A256 F257 | P249-V253 WeakPolarHBondContact O-CG2 3.31Å; P249-V253 PolarHBondContact O-N 3.37Å; V250-V253 PolarHBondContact O-N 3.42Å; V253-M255 PolarHBondContact O-N 2.9Å; V253-A256 PolarHBondContact O-N 3.19Å; V253-F257 HydrophobicContact CG1-CD2 3.85Å; V253-F257 HydrophobicContact CG1-CE2 3.54Å; V253-F257 WeakPolarHBondContact O-CD2 3.47Å; V253-F257 PolarHBondContact O-N 3.23Å |
| 254 | F | 89.2 | Confident | 87.2 | Confident | 62 Ų | 62 | 77 Ų | 77 | 27% | 0.272 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 176.3 | -81.4 | -72.9 | 0 | 0 | 0 | 112.9 | T159 F160 L163 V250 G251 F257 A258 | T159-F254 HydrophobicContact CG2-CE1 3.97Å; T159-F254 HydrophobicContact CG2-CZ 4.01Å; F160-F254 HydrophobicContact CB-CB 4.2Å; F160-F254 HydrophobicContact CD2-CB 3.92Å; L163-F254 HydrophobicContact CD2-CD2 4.26Å; L163-F254 HydrophobicContact CD2-CE2 4.33Å; V250-F254 HydrophobicContact CG1-CD2 3.9Å; V250-F254 HydrophobicContact CG1-CE2 3.73Å; V250-F254 VanDerWaalsContact O-CD2 3.27Å; V250-F254 WeakPolarHBondContact O-CD2 3.34Å; V250-F254 PolarHBondContact O-N 2.95Å; V250-F254 VanDerWaalsContact O-N 3.13Å; G251-F254 PolarHBondContact O-N 3.02Å; F254-F257 PolarHBondContact O-N 3.05Å; F254-A258 WeakPolarHBondContact O-CB 3.32Å; F254-A258 PolarHBondContact O-N 2.86Å |
| 255 | M | 87.8 | Confident | 86.4 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 37% | 0.369 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 175.6 | -172.5 | 71.1 | 78.1 | 0 | 0 | 111.3 | F160 G251 L252 V253 F257 A258 L259 | F160-M255 HydrophobicContact CE1-CE 3.77Å; F160-M255 HydrophobicContact CE2-CB 4.38Å; F160-M255 HydrophobicContact CE2-CE 3.77Å; F160-M255 HydrophobicContact CZ-CE 3.21Å; F160-M255 HydrophobicContact CZ-SD 4.4Å; G251-M255 VanDerWaalsContact O-CB 3.29Å; G251-M255 WeakPolarHBondContact O-CB 3.47Å; G251-M255 PolarHBondContact O-N 2.95Å; L252-M255 PolarHBondContact O-N 3.39Å; V253-M255 PolarHBondContact O-N 2.9Å; M255-F257 VanDerWaalsContact C-N 3.35Å; M255-F257 PolarHBondContact O-N 3.4Å; M255-A258 PolarHBondContact O-N 3.44Å; M255-L259 HydrophobicContact CG-CD1 4.05Å; M255-L259 HydrophobicContact CG-CG 4.38Å; M255-L259 WeakPolarHBondContact O-CB 3.45Å; M255-L259 VanDerWaalsContact O-CG 3.31Å; M255-L259 WeakPolarHBondContact O-CG 3.37Å; M255-L259 PolarHBondContact O-N 2.98Å |
| 256 | A | 88 | Confident | 85.7 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 49% | 0.488 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L252 V253 L259 H260 | L252-A256 WeakPolarHBondContact O-CB 3.47Å; L252-A256 PolarHBondContact O-N 3.29Å; V253-A256 PolarHBondContact O-N 3.19Å; A256-L259 PolarHBondContact O-N 3.5Å; A256-H260 VanDerWaalsContact O-CB 3.28Å; A256-H260 WeakPolarHBondContact O-CB 3.42Å; A256-H260 PolarHBondContact O-N 3.41Å |
| 257 | F | 84.7 | Confident | 85 | Confident | 113 Ų | 113 | 73.2 Ų | 73.2 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 172.4 | -77 | -64.3 | 0 | 0 | 0 | 111.5 | V253 F254 M255 L259 H260 F261 | V253-F257 HydrophobicContact CG1-CD2 3.85Å; V253-F257 HydrophobicContact CG1-CE2 3.54Å; V253-F257 WeakPolarHBondContact O-CD2 3.47Å; V253-F257 PolarHBondContact O-N 3.23Å; F254-F257 PolarHBondContact O-N 3.05Å; M255-F257 VanDerWaalsContact C-N 3.35Å; M255-F257 PolarHBondContact O-N 3.4Å; F257-L259 VanDerWaalsContact C-N 3.32Å; F257-L259 PolarHBondContact O-N 3.39Å; F257-H260 WeakPolarHBondContact O-CB 3.27Å; F257-H260 PolarHBondContact O-N 3.01Å; F257-H260 VanDerWaalsContact O-N 3.17Å; F257-F261 HydrophobicContact CB-CD2 4.42Å; F257-F261 HydrophobicContact CB-CE2 4.27Å; F257-F261 HydrophobicContact CD1-CE2 4.39Å; F257-F261 WeakPolarHBondContact O-CD2 3.27Å; F257-F261 PolarHBondContact O-N 3.38Å |
| 258 | A | 83.6 | Confident | 83.9 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 5% | 0.05 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F153 F254 M255 F261 Y262 | F153-A258 HydrophobicContact CE2-CB 4.2Å; F153-A258 WeakPolarHBondContact CE2-O 3.5Å; F254-A258 WeakPolarHBondContact O-CB 3.32Å; F254-A258 PolarHBondContact O-N 2.86Å; M255-A258 PolarHBondContact O-N 3.44Å; A258-F261 PolarHBondContact O-N 3.42Å; A258-Y262 VanDerWaalsContact O-CB 3.32Å; A258-Y262 WeakPolarHBondContact O-CB 3.36Å; A258-Y262 PolarHBondContact O-N 3.34Å |
| 259 | L | 83.4 | Confident | 82.9 | Confident | 81 Ų | 81 | 75.4 Ų | 75.4 | 42% | 0.424 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.1 | -38.6 | 176.4 | -73.2 | 173.8 | 0 | 0 | 0 | 112.7 | M255 A256 F257 F261 Y262 R263 | M255-L259 HydrophobicContact CG-CD1 4.05Å; M255-L259 HydrophobicContact CG-CG 4.38Å; M255-L259 WeakPolarHBondContact O-CB 3.45Å; M255-L259 VanDerWaalsContact O-CG 3.31Å; M255-L259 WeakPolarHBondContact O-CG 3.37Å; M255-L259 PolarHBondContact O-N 2.98Å; A256-L259 PolarHBondContact O-N 3.5Å; F257-L259 VanDerWaalsContact C-N 3.32Å; F257-L259 PolarHBondContact O-N 3.39Å; L259-F261 VanDerWaalsContact C-N 3.33Å; L259-Y262 PolarHBondContact O-N 3.26Å; L259-R263 WeakPolarHBondContact O-CB 3.46Å; L259-R263 WeakPolarHBondContact O-CG 3.32Å; L259-R263 PolarHBondContact O-N 2.92Å |
| 260 | H | 85.2 | Confident | 82 | Confident | 119 Ų | 119 | 75 Ų | 75 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.1 | -45.4 | 173.5 | 176.6 | -85.4 | 0 | 0 | 0 | 110.8 | A256 F257 S264 | A256-H260 VanDerWaalsContact O-CB 3.28Å; A256-H260 WeakPolarHBondContact O-CB 3.42Å; A256-H260 PolarHBondContact O-N 3.41Å; F257-H260 WeakPolarHBondContact O-CB 3.27Å; F257-H260 PolarHBondContact O-N 3.01Å; F257-H260 VanDerWaalsContact O-N 3.17Å; H260-S264 WeakPolarHBondContact O-CB 3.36Å; H260-S264 PolarHBondContact O-N 3.44Å; H260-S264 PolarHBondContact O-OG 3.37Å |
| 261 | F | 79.4 | Confident | 81.1 | Confident | 56 Ų | 56 | 75.9 Ų | 75.9 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 176.2 | -73.8 | -64.9 | 0 | 0 | 0 | 112.4 | L149 F153 F257 A258 L259 R263 S264 L265 | L149-F261 HydrophobicContact CD2-CD1 4.07Å; L149-F261 HydrophobicContact CD2-CE1 4.04Å; F153-F261 HydrophobicContact CB-CB 4.21Å; F153-F261 HydrophobicContact CD2-CB 3.72Å; F153-F261 HydrophobicContact CG-CB 4.39Å; F257-F261 HydrophobicContact CB-CD2 4.42Å; F257-F261 HydrophobicContact CB-CE2 4.27Å; F257-F261 HydrophobicContact CD1-CE2 4.39Å; F257-F261 WeakPolarHBondContact O-CD2 3.27Å; F257-F261 PolarHBondContact O-N 3.38Å; A258-F261 PolarHBondContact O-N 3.42Å; L259-F261 VanDerWaalsContact C-N 3.33Å; F261-R263 PolarHBondContact O-N 3.48Å; F261-S264 WeakPolarHBondContact O-CB 3.31Å; F261-S264 PolarHBondContact O-N 2.88Å; F261-S264 VanDerWaalsContact O-N 3.15Å; F261-L265 WeakPolarHBondContact O-CG 3.28Å; F261-L265 PolarHBondContact O-N 3.38Å |
| 262 | Y | 83.3 | Confident | 80.3 | Confident | 132 Ų | 132 | 80.7 Ų | 80.7 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 174.6 | 176 | -100.4 | 0 | 0 | 0 | 111.2 | A258 L259 S264 L265 V266 | A258-Y262 VanDerWaalsContact O-CB 3.32Å; A258-Y262 WeakPolarHBondContact O-CB 3.36Å; A258-Y262 PolarHBondContact O-N 3.34Å; L259-Y262 PolarHBondContact O-N 3.26Å; Y262-S264 VanDerWaalsContact C-N 3.32Å; Y262-S264 PolarHBondContact O-N 2.9Å; Y262-L265 PolarHBondContact O-N 2.86Å; Y262-V266 HydrophobicContact CD1-CG2 4.26Å; Y262-V266 HydrophobicContact CD2-CG2 4.23Å; Y262-V266 HydrophobicContact CE1-CG2 3.86Å; Y262-V266 HydrophobicContact CE2-CG2 3.84Å; Y262-V266 HydrophobicContact CG-CG2 4.43Å; Y262-V266 WeakPolarHBondContact O-CB 3.18Å; Y262-V266 VanDerWaalsContact O-CG2 3.31Å; Y262-V266 WeakPolarHBondContact O-CG2 3.27Å; Y262-V266 PolarHBondContact O-N 3.03Å |
| 263 | R | 82.3 | Confident | 79.2 | Confident | 176 Ų | 176 | 80.6 Ų | 80.6 | 66% | 0.664 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.1 | -39.2 | 174.8 | -76.8 | -166.8 | 163.2 | 106.7 | 0.9 | 112.5 | L259 F261 L265 V266 A267 | L259-R263 WeakPolarHBondContact O-CB 3.46Å; L259-R263 WeakPolarHBondContact O-CG 3.32Å; L259-R263 PolarHBondContact O-N 2.92Å; F261-R263 PolarHBondContact O-N 3.48Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 3.48Å; R263-V266 PolarHBondContact O-N 3.19Å; R263-A267 WeakPolarHBondContact O-CB 3.25Å; R263-A267 PolarHBondContact O-N 2.92Å |
| 264 | S | 77.8 | Confident | 78.4 | Confident | 44 Ų | 44 | 82.3 Ų | 82.3 | 31% | 0.308 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 176.4 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | H260 F261 Y262 | H260-S264 WeakPolarHBondContact O-CB 3.36Å; H260-S264 PolarHBondContact O-N 3.44Å; H260-S264 PolarHBondContact O-OG 3.37Å; F261-S264 WeakPolarHBondContact O-CB 3.31Å; F261-S264 PolarHBondContact O-N 2.88Å; F261-S264 VanDerWaalsContact O-N 3.15Å; Y262-S264 VanDerWaalsContact C-N 3.32Å; Y262-S264 PolarHBondContact O-N 2.9Å |
| 265 | L | 72.8 | Confident | 77.8 | Confident | 39 Ų | 39 | 83.5 Ų | 83.5 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.5 | -42.9 | 175.4 | -68.6 | 173.3 | 0 | 0 | 0 | 111.9 | Y146 L149 F153 F261 Y262 R263 K269 | Y146-L265 HydrophobicContact CD1-CD2 4.33Å; L149-L265 HydrophobicContact CB-CD2 4.07Å; F153-L265 HydrophobicContact CB-CD1 4.35Å; F153-L265 HydrophobicContact CD1-CD1 4.35Å; F153-L265 HydrophobicContact CG-CD1 4.28Å; F261-L265 WeakPolarHBondContact O-CG 3.28Å; F261-L265 PolarHBondContact O-N 3.38Å; Y262-L265 PolarHBondContact O-N 2.86Å; R263-L265 VanDerWaalsContact C-N 3.3Å; R263-L265 PolarHBondContact O-N 3.48Å; L265-K269 PolarHBondContact O-N 3.35Å; L265-K269 VanDerWaalsContact O-N 3.16Å |
| 266 | V | 76.9 | Confident | 77.4 | Confident | 55 Ų | 55 | 84.4 Ų | 84.4 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.2 | -47.8 | -177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.9 | Y262 R263 H268 K269 T270 | Y262-V266 HydrophobicContact CD1-CG2 4.26Å; Y262-V266 HydrophobicContact CD2-CG2 4.23Å; Y262-V266 HydrophobicContact CE1-CG2 3.86Å; Y262-V266 HydrophobicContact CE2-CG2 3.84Å; Y262-V266 HydrophobicContact CG-CG2 4.43Å; Y262-V266 WeakPolarHBondContact O-CB 3.18Å; Y262-V266 VanDerWaalsContact O-CG2 3.31Å; Y262-V266 WeakPolarHBondContact O-CG2 3.27Å; Y262-V266 PolarHBondContact O-N 3.03Å; R263-V266 PolarHBondContact O-N 3.19Å; V266-H268 PolarHBondContact O-N 3.36Å; V266-K269 WeakPolarHBondContact O-CB 3.24Å; V266-K269 PolarHBondContact O-N 3.5Å; V266-T270 PolarHBondContact O-N 2.73Å; V266-T270 PolarHBondContact O-OG1 3.02Å; V266-T270 VanDerWaalsContact O-OG1 3.06Å |
| 267 | A | 74.9 | Confident | 77.1 | Confident | 56 Ų | 56 | 87.5 Ų | 87.5 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.3 | -41.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R263 T270 D271 | R263-A267 WeakPolarHBondContact O-CB 3.25Å; R263-A267 PolarHBondContact O-N 2.92Å; A267-T270 PolarHBondContact O-N 2.93Å; A267-D271 PolarHBondContact O-N 3.46Å |
| 268 | H | 67.3 | Low | 77.3 | Confident | 22 Ų | 22 | 88.2 Ų | 88.2 | 10% | 0.102 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -73.9 | -37.6 | 177.5 | -175.7 | -92.2 | 0 | 0 | 0 | 114.2 | R142 Y146 V266 T270 D271 R272 | R142-H268 PolarHBondContact NH2-CD2 2.93Å; R142-H268 PolarHBondContact NH2-NE2 2.99Å; Y146-H268 HydrophobicContact CE1-CB 3.7Å; Y146-H268 AromaticContact CE1-CE1 3.87Å; Y146-H268 AromaticContact CE1-CG 3.41Å; Y146-H268 VanDerWaalsContact CE1-CG 3.41Å; Y146-H268 AromaticContact CE1-ND1 3.25Å; Y146-H268 VanDerWaalsContact CE1-ND1 3.25Å; Y146-H268 WeakPolarHBondContact CE1-ND1 3.33Å; Y146-H268 AromaticContact CE2-CE1 3.16Å; Y146-H268 WeakPolarHBondContact CE2-CE1 3.43Å; Y146-H268 AromaticContact CE2-ND1 3.46Å; Y146-H268 WeakPolarHBondContact CE2-ND1 3.44Å; Y146-H268 AromaticContact CE2-NE2 3.66Å; Y146-H268 AromaticContact CZ-CD2 3.48Å; Y146-H268 VanDerWaalsContact CZ-CD2 3.48Å; Y146-H268 AromaticContact CZ-CE1 3.08Å; Y146-H268 AromaticContact CZ-CG 3.17Å; Y146-H268 AromaticContact CZ-ND1 2.96Å; Y146-H268 AromaticContact CZ-NE2 3.39Å; Y146-H268 PolarHBondContact OH-CD2 3Å; Y146-H268 PolarHBondContact OH-CE1 3.48Å; Y146-H268 PolarHBondContact OH-ND1 3.1Å; Y146-H268 PolarHBondContact OH-NE2 2.88Å; V266-H268 PolarHBondContact O-N 3.36Å; H268-T270 VanDerWaalsContact C-N 3.26Å; H268-T270 PolarHBondContact O-N 3.32Å; H268-D271 PolarHBondContact O-N 3.23Å; H268-R272 WeakPolarHBondContact CE1-CG 3.42Å; H268-R272 PolarHBondContact O-N 3.04Å |
| 269 | K | 69.5 | Low | 77.5 | Confident | 139 Ų | 139 | 93.7 Ų | 93.7 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -58.6 | -42.7 | 171.9 | -88.7 | -102.7 | -169.6 | 169.4 | 0 | 110.4 | L265 V266 R272 H273 | L265-K269 PolarHBondContact O-N 3.35Å; L265-K269 VanDerWaalsContact O-N 3.16Å; V266-K269 WeakPolarHBondContact O-CB 3.24Å; V266-K269 PolarHBondContact O-N 3.5Å; K269-R272 PolarHBondContact O-N 3.47Å; K269-H273 PolarHBondContact O-CD2 3.03Å; K269-H273 PolarHBondContact O-N 3.35Å; K269-H273 VanDerWaalsContact O-N 3.13Å |
| 270 | T | 72.3 | Confident | 77.6 | Confident | 63 Ų | 63 | 95.4 Ų | 95.4 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | V266 A267 H268 R272 H273 K274 | V266-T270 PolarHBondContact O-N 2.73Å; V266-T270 PolarHBondContact O-OG1 3.02Å; V266-T270 VanDerWaalsContact O-OG1 3.06Å; A267-T270 PolarHBondContact O-N 2.93Å; H268-T270 VanDerWaalsContact C-N 3.26Å; H268-T270 PolarHBondContact O-N 3.32Å; T270-R272 PolarHBondContact O-N 2.81Å; T270-H273 PolarHBondContact O-N 3.06Å; T270-K274 WeakPolarHBondContact O-CG 3.46Å; T270-K274 PolarHBondContact O-N 3.36Å |
| 271 | D | 73.5 | Confident | 77.6 | Confident | 88 Ų | 88 | 93.1 Ų | 93.1 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 177.5 | -75.4 | -16.4 | 0 | 0 | 0 | 112.7 | A267 H268 K274 Q275 | A267-D271 PolarHBondContact O-N 3.46Å; H268-D271 PolarHBondContact O-N 3.23Å; D271-K274 PolarHBondContact O-N 3.08Å; D271-Q275 PolarHBondContact O-N 2.98Å |
| 272 | R | 72.1 | Confident | 78 | Confident | 115 Ų | 115 | 98.4 Ų | 98.4 | 43% | 0.434 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.2 | -79.4 | -115.6 | 93.8 | 172 | 2.7 | 112.3 | H268 K269 T270 K274 Q275 E276 | H268-R272 WeakPolarHBondContact CE1-CG 3.42Å; H268-R272 PolarHBondContact O-N 3.04Å; K269-R272 PolarHBondContact O-N 3.47Å; T270-R272 PolarHBondContact O-N 2.81Å; R272-K274 VanDerWaalsContact C-N 3.26Å; R272-K274 PolarHBondContact O-N 3.32Å; R272-Q275 PolarHBondContact O-N 3.47Å; R272-E276 WeakPolarHBondContact O-CG 3.45Å; R272-E276 PolarHBondContact O-N 3.17Å |
| 273 | H | 66.6 | Low | 78.2 | Confident | 109 Ų | 109 | 96.3 Ų | 96.3 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.8 | -32 | 179.1 | -75 | -51.4 | 0 | 0 | 0 | 112.4 | K269 T270 E276 L277 | K269-H273 PolarHBondContact O-CD2 3.03Å; K269-H273 PolarHBondContact O-N 3.35Å; K269-H273 VanDerWaalsContact O-N 3.13Å; T270-H273 PolarHBondContact O-N 3.06Å; H273-E276 IonicContact ND1-OE2 3.35Å; H273-E276 PolarHBondContact ND1-OE2 3.35Å; H273-L277 WeakPolarHBondContact O-CB 3.37Å; H273-L277 PolarHBondContact O-N 3.4Å |
| 274 | K | 75.1 | Confident | 78.4 | Confident | 120 Ų | 120 | 93.7 Ų | 93.7 | 52% | 0.522 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 171.9 | -74.2 | 179 | 177.9 | -179.7 | 0 | 112 | T270 D271 R272 E276 L277 E278 | T270-K274 WeakPolarHBondContact O-CG 3.46Å; T270-K274 PolarHBondContact O-N 3.36Å; D271-K274 PolarHBondContact O-N 3.08Å; R272-K274 VanDerWaalsContact C-N 3.26Å; R272-K274 PolarHBondContact O-N 3.32Å; K274-E276 VanDerWaalsContact C-N 3.35Å; K274-E276 PolarHBondContact O-N 3.29Å; K274-L277 PolarHBondContact O-N 3.41Å; K274-E278 WeakPolarHBondContact O-CG 3.26Å; K274-E278 PolarHBondContact O-N 3.15Å |
| 275 | Q | 77.2 | Confident | 78.8 | Confident | 86 Ų | 86 | 93.4 Ų | 93.4 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 175.2 | -79.1 | -170 | -65 | 0 | 0 | 112.2 | D271 R272 L277 E278 E279 | D271-Q275 PolarHBondContact O-N 2.98Å; R272-Q275 PolarHBondContact O-N 3.47Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.44Å; Q275-E278 PolarHBondContact O-N 3.45Å; Q275-E279 WeakPolarHBondContact O-CG 3.34Å; Q275-E279 PolarHBondContact O-N 3.36Å |
| 276 | E | 80.1 | Confident | 79.5 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 176.7 | -73.5 | 172.5 | 175.6 | 0 | 0 | 111.8 | R272 H273 K274 L280 | R272-E276 WeakPolarHBondContact O-CG 3.45Å; R272-E276 PolarHBondContact O-N 3.17Å; H273-E276 IonicContact ND1-OE2 3.35Å; H273-E276 PolarHBondContact ND1-OE2 3.35Å; K274-E276 VanDerWaalsContact C-N 3.35Å; K274-E276 PolarHBondContact O-N 3.29Å; E276-L280 VanDerWaalsContact O-CG 3.27Å; E276-L280 WeakPolarHBondContact O-CG 3.27Å; E276-L280 PolarHBondContact O-N 3.11Å |
| 277 | L | 82.1 | Confident | 79.8 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.3 | -38.3 | 178.3 | -159.4 | 120.2 | 0 | 0 | 0 | 112.3 | H273 K274 Q275 L280 S281 | H273-L277 WeakPolarHBondContact O-CB 3.37Å; H273-L277 PolarHBondContact O-N 3.4Å; K274-L277 PolarHBondContact O-N 3.41Å; Q275-L277 VanDerWaalsContact C-N 3.31Å; Q275-L277 PolarHBondContact O-N 3.44Å; L277-L280 PolarHBondContact O-N 3Å; L277-S281 WeakPolarHBondContact O-CB 3.12Å; L277-S281 PolarHBondContact O-N 3.46Å |
| 278 | E | 87.9 | Confident | 80.1 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 59% | 0.593 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -42.8 | 174.5 | -75.7 | 175.7 | -174.1 | 0 | 0 | 111.4 | K274 Q275 L280 S281 R282 | K274-E278 WeakPolarHBondContact O-CG 3.26Å; K274-E278 PolarHBondContact O-N 3.15Å; Q275-E278 PolarHBondContact O-N 3.45Å; E278-L280 PolarHBondContact O-N 2.92Å; E278-S281 WeakPolarHBondContact CA-OG 3.32Å; E278-S281 PolarHBondContact O-N 3.2Å; E278-S281 PolarHBondContact O-OG 3.05Å; E278-R282 WeakPolarHBondContact O-CB 3.47Å; E278-R282 PolarHBondContact O-N 2.71Å |
| 279 | E | 88.1 | Confident | 80.6 | Confident | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 175.1 | -75.1 | 179.5 | -173.5 | 0 | 0 | 111.9 | Q275 R282 L283 | Q275-E279 WeakPolarHBondContact O-CG 3.34Å; Q275-E279 PolarHBondContact O-N 3.36Å; E279-R282 WeakPolarHBondContact O-CB 3.25Å; E279-R282 PolarHBondContact O-N 3.08Å; E279-L283 WeakPolarHBondContact O-CG 3.43Å; E279-L283 PolarHBondContact O-N 3.38Å |
| 280 | L | 85.2 | Confident | 80.2 | Confident | 117 Ų | 117 | 110.1 Ų | 110.1 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.9 | -41.7 | 175.2 | -72.4 | 170.9 | 0 | 0 | 0 | 112.2 | E276 L277 E278 R282 L283 Q284 | E276-L280 VanDerWaalsContact O-CG 3.27Å; E276-L280 WeakPolarHBondContact O-CG 3.27Å; E276-L280 PolarHBondContact O-N 3.11Å; L277-L280 PolarHBondContact O-N 3Å; E278-L280 PolarHBondContact O-N 2.92Å; L280-R282 VanDerWaalsContact C-N 3.26Å; L280-R282 PolarHBondContact O-N 2.85Å; L280-L283 PolarHBondContact O-N 3.44Å; L280-Q284 PolarHBondContact O-N 2.8Å |
| 281 | S | 85.1 | Confident | 80.6 | Confident | 71 Ų | 71 | 112.5 Ų | 112.5 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -35.4 | 176.6 | 76.1 | 0 | 0 | 0 | 0 | 112.1 | L277 E278 G285 | L277-S281 WeakPolarHBondContact O-CB 3.12Å; L277-S281 PolarHBondContact O-N 3.46Å; E278-S281 WeakPolarHBondContact CA-OG 3.32Å; E278-S281 PolarHBondContact O-N 3.2Å; E278-S281 PolarHBondContact O-OG 3.05Å; S281-G285 PolarHBondContact O-N 2.89Å |
| 282 | R | 88.3 | Confident | 80.9 | Confident | 167 Ų | 167 | 113.7 Ų | 113.7 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.4 | -44.1 | 177.7 | -157.4 | -175.1 | 85.7 | 153.8 | 10.8 | 111.8 | E278 E279 L280 Q284 G285 E286 | E278-R282 WeakPolarHBondContact O-CB 3.47Å; E278-R282 PolarHBondContact O-N 2.71Å; E279-R282 WeakPolarHBondContact O-CB 3.25Å; E279-R282 PolarHBondContact O-N 3.08Å; L280-R282 VanDerWaalsContact C-N 3.26Å; L280-R282 PolarHBondContact O-N 2.85Å; R282-Q284 VanDerWaalsContact C-N 3.34Å; R282-G285 PolarHBondContact O-N 3.21Å; R282-E286 IonicContact NH2-OE1 3.97Å; R282-E286 PolarHBondContact O-N 2.86Å |
| 283 | L | 86.9 | Confident | 81.4 | Confident | 88 Ų | 88 | 113.7 Ų | 113.7 | 46% | 0.461 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.4 | -38.3 | 176.2 | -69.5 | 171.8 | 0 | 0 | 0 | 112.1 | E279 L280 G285 E286 L287 | E279-L283 WeakPolarHBondContact O-CG 3.43Å; E279-L283 PolarHBondContact O-N 3.38Å; L280-L283 PolarHBondContact O-N 3.44Å; L283-G285 VanDerWaalsContact C-N 3.33Å; L283-E286 PolarHBondContact O-N 3.28Å; L283-L287 WeakPolarHBondContact O-CD1 3.42Å; L283-L287 PolarHBondContact O-N 3.13Å; L283-L287 VanDerWaalsContact O-N 3.08Å |
| 284 | Q | 86 | Confident | 82.3 | Confident | 121 Ų | 121 | 113.9 Ų | 113.9 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.3 | -40.6 | 173.6 | -167.9 | -169.3 | -48.6 | 0 | 0 | 111.6 | L280 R282 L287 Q288 | L280-Q284 PolarHBondContact O-N 2.8Å; R282-Q284 VanDerWaalsContact C-N 3.34Å; Q284-L287 PolarHBondContact O-N 3.06Å; Q284-Q288 PolarHBondContact O-N 3.34Å |
| 285 | G | 86.2 | Confident | 82.7 | Confident | 39 Ų | 39 | 113.6 Ų | 113.6 | 40% | 0.402 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S281 R282 L283 Q288 A289 | S281-G285 PolarHBondContact O-N 2.89Å; R282-G285 PolarHBondContact O-N 3.21Å; L283-G285 VanDerWaalsContact C-N 3.33Å; G285-Q288 PolarHBondContact O-N 3.3Å; G285-A289 WeakPolarHBondContact O-CB 3.47Å; G285-A289 PolarHBondContact O-N 2.94Å |
| 286 | E | 88.8 | Confident | 83.1 | Confident | 108 Ų | 108 | 115.4 Ų | 115.4 | 51% | 0.505 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67 | -37.1 | 175.6 | -73.2 | -179.6 | 175.8 | 0 | 0 | 112.4 | R282 L283 | R282-E286 IonicContact NH2-OE1 3.97Å; R282-E286 PolarHBondContact O-N 2.86Å; L283-E286 PolarHBondContact O-N 3.28Å |
| 287 | L | 82 | Confident | 83.3 | Confident | 137 Ų | 137 | 116.9 Ų | 116.9 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73 | -30 | 175.6 | -98.5 | 108.4 | 0 | 0 | 0 | 114 | L283 Q284 A289 | L283-L287 WeakPolarHBondContact O-CD1 3.42Å; L283-L287 PolarHBondContact O-N 3.13Å; L283-L287 VanDerWaalsContact O-N 3.08Å; Q284-L287 PolarHBondContact O-N 3.06Å; L287-A289 VanDerWaalsContact C-N 3.32Å |
| 288 | Q | 82.6 | Confident | 83.4 | Confident | 145 Ų | 145 | 116.3 Ų | 116.3 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.5 | -13.9 | 176.1 | -76 | -175.9 | -74.2 | 0 | 0 | 113.3 | Q284 G285 | Q284-Q288 PolarHBondContact O-N 3.34Å; G285-Q288 PolarHBondContact O-N 3.3Å |
| 289 | A | 76.6 | Confident | 83 | Confident | 88 Ų | 88 | 115.4 Ų | 115.4 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -3.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G285 L287 | G285-A289 WeakPolarHBondContact O-CB 3.47Å; G285-A289 PolarHBondContact O-N 2.94Å; L287-A289 VanDerWaalsContact C-N 3.32Å |
| 290 | V | 60.7 | Low | 82.6 | Confident | 183 Ų | 183 | 114.9 Ų | 114.9 | 100% | 1.109 | 63% | 0.628 | S | S | * | * | trans | -106.6 | 0 | 175 | 175.1 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 290 of 290 residues in 122.6 ms
(Link to these results)