| 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 | 52.6 | Low | 46.8 | Very low | 231 Ų | 231 | 150.5 Ų | 150.5 | 100% | 1.138 | 85% | 0.852 | S | S | * | * | 0 | 97.1 | 0 | -75.4 | 154.4 | 168.4 | 0 | 0 | 106.8 | |||||
| 2 | D | 45.1 | Very low | 47.6 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 85% | 0.85 | 85% | 0.851 | S | S | * | * | -176.1 | 104.1 | 108 | -110.3 | -89.8 | 0 | 0 | 0 | 108.2 | |||||
| 3 | D | 45.3 | Very low | 48.3 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 81% | 0.813 | 85% | 0.851 | S | S | * | * | trans | -67.2 | 128.6 | 171.3 | -85.2 | -98.4 | 0 | 0 | 0 | 110.3 | ||||
| 4 | S | 47.8 | Very low | 49.1 | Very low | 120 Ų | 120 | 156.6 Ų | 156.6 | 84% | 0.839 | 86% | 0.858 | S | S | * | * | trans | -144.7 | 81.7 | 158.7 | -87.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | K | 42.1 | Very low | 49.7 | Very low | 183 Ų | 183 | 150.1 Ų | 150.1 | 80% | 0.796 | 84% | 0.842 | S | S | * | * | 58.4 | 88.6 | 124.9 | -159.3 | 162.5 | -175.9 | 168.1 | 0 | 116.6 | V7 | K5-V7 HydrophobicContact CG-CG2 4.19Å; K5-V7 PolarHBondContact O-N 2.87Å | |||
| 6 | M | 44.4 | Very low | 50.1 | Low | 195 Ų | 195 | 152.6 Ų | 152.6 | 96% | 0.961 | 84% | 0.84 | S | S | * | * | trans | -57 | 121.4 | 150.9 | -76.9 | -176.3 | 173.8 | 0 | 0 | 110.1 | ||||
| 7 | V | 43 | Very low | 50.6 | Low | 118 Ų | 118 | 158.8 Ų | 158.8 | 72% | 0.715 | 85% | 0.848 | S | S | * | * | trans | -129.9 | 117.1 | 158.9 | 159.4 | 0 | 0 | 0 | 0 | 108.2 | K5 G9 | K5-V7 HydrophobicContact CG-CG2 4.19Å; K5-V7 PolarHBondContact O-N 2.87Å; V7-G9 PolarHBondContact O-N 3.1Å | ||
| 8 | G | 49.3 | Very low | 51.2 | Low | 85 Ų | 85 | 153.9 Ų | 153.9 | 88% | 0.876 | 84% | 0.841 | S | S | * | * | trans | -62 | 117.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 9 | G | 41.3 | Very low | 51.6 | Low | 57 Ų | 57 | 156.9 Ų | 156.9 | 59% | 0.588 | 84% | 0.839 | S | S | * | * | trans | -125.1 | 110 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | V7 V11 | V7-G9 PolarHBondContact O-N 3.1Å; G9-V11 VanDerWaalsContact O-CG2 3.32Å; G9-V11 WeakPolarHBondContact O-CG2 3.29Å; G9-V11 PolarHBondContact O-N 3.3Å | ||
| 10 | K | 51.2 | Low | 52 | Low | 214 Ų | 214 | 158.3 Ų | 158.3 | 93% | 0.93 | 84% | 0.837 | S | S | * | * | trans | -43 | 85.2 | 177.5 | -156.5 | 167.9 | -174.7 | 170.9 | 0 | 113.1 | K12 | K10-K12 PolarHBondContact O-N 3.24Š| ||
| 11 | V | 52.5 | Low | 52.6 | Low | 142 Ų | 142 | 155.6 Ų | 155.6 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -79.5 | 122.7 | 174.7 | -168.6 | 0 | 0 | 0 | 0 | 109.4 | G9 K13 | G9-V11 VanDerWaalsContact O-CG2 3.32Å; G9-V11 WeakPolarHBondContact O-CG2 3.29Å; G9-V11 PolarHBondContact O-N 3.3Å; V11-K13 PolarHBondContact O-N 2.96Å | ||
| 12 | K | 56.5 | Low | 53.4 | Low | 195 Ų | 195 | 148.2 Ų | 148.2 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -61.6 | 122.7 | -172 | -64.6 | -178.3 | 175.3 | 174.3 | 0 | 112.6 | K10 | K10-K12 PolarHBondContact O-N 3.24Š| ||
| 13 | K | 57.4 | Low | 54.3 | Low | 195 Ų | 195 | 150.9 Ų | 150.9 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | 39.9 | 109.9 | 152.8 | -64.9 | -174.6 | 174.7 | -179.8 | 0 | 118.5 | V11 G15 | V11-K13 PolarHBondContact O-N 2.96Å; K13-G15 PolarHBondContact O-N 3.36Å; K13-G15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | P | 58.9 | Low | 55.4 | Low | 147 Ų | 147 | 147.4 Ų | 147.4 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | trans | -81 | 86.1 | 160.8 | 33.5 | -29.1 | 0 | 0 | 0 | 108.9 | ||||
| 15 | G | 58.8 | Low | 57.1 | Low | 59 Ų | 59 | 146.4 Ų | 146.4 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | trans | -152.3 | 39.4 | -167 | 0 | 0 | 0 | 0 | 0 | 116.1 | K13 | K13-G15 PolarHBondContact O-N 3.36Å; K13-G15 VanDerWaalsContact O-N 3.1Å | ||
| 16 | K | 55.3 | Low | 59.2 | Low | 189 Ų | 189 | 144.1 Ų | 144.1 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -144.4 | 40.7 | 160.8 | -69.3 | -163.6 | -178.5 | 179.9 | 0 | 112.5 | G18 | K16-G18 PolarHBondContact O-N 2.88Š| ||
| 17 | R | 59.4 | Low | 61.4 | Low | 259 Ų | 259 | 142.6 Ų | 142.6 | 98% | 0.977 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 109.1 | 155.7 | -84.7 | 177 | 148.2 | 158 | -6.6 | 106.7 | ||
| 18 | G | 60.8 | Low | 63.6 | Low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119 | 17.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | K16 K20 | K16-G18 PolarHBondContact O-N 2.88Å; G18-K20 VanDerWaalsContact C-N 3.33Å; G18-K20 PolarHBondContact O-N 3.43Å |
| 19 | R | 59.7 | Low | 65.7 | Low | 211 Ų | 211 | 140.9 Ų | 140.9 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | trans | -64.7 | 103.7 | 160.1 | -168.7 | 177.4 | -175.2 | -138.6 | 2.1 | 106.7 | ||||
| 20 | K | 58.8 | Low | 68.3 | Low | 184 Ų | 184 | 141.9 Ų | 141.9 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | trans | -44 | 126.2 | 170.4 | -69.8 | 179.4 | 178.7 | 179.1 | 0 | 106.7 | G18 A22 | G18-K20 VanDerWaalsContact C-N 3.33Å; G18-K20 PolarHBondContact O-N 3.43Å; K20-A22 PolarHBondContact O-N 3.05Å | ||
| 21 | P | 64.5 | Low | 70.4 | Confident | 103 Ų | 103 | 135.5 Ų | 135.5 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | trans | -52.7 | 120.9 | 174.7 | 18.9 | -28.1 | 0 | 0 | 0 | 106.7 | K23 | P21-K23 PolarHBondContact O-N 3.42Š| ||
| 22 | A | 68.8 | Low | 72.5 | Confident | 76 Ų | 76 | 134.7 Ų | 134.7 | 63% | 0.628 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -47.5 | 131.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | K20 I24 | K20-A22 PolarHBondContact O-N 3.05Å; A22-I24 VanDerWaalsContact C-N 3.27Å; A22-I24 WeakPolarHBondContact O-CA 3.43Å; A22-I24 PolarHBondContact O-N 3.21Å |
| 23 | K | 65.1 | Low | 74.3 | Confident | 215 Ų | 215 | 129 Ų | 129 | 94% | 0.935 | 66% | 0.655 | S | S | * | * | trans | -23.3 | 90.5 | -172.2 | -79.1 | 177.2 | 178.4 | 176.5 | 0 | 110.2 | P21 D25 | P21-K23 PolarHBondContact O-N 3.42Å; K23-D25 PolarHBondContact O-N 2.89Å | ||
| 24 | I | 67.2 | Low | 76.3 | Confident | 79 Ų | 79 | 126 Ų | 126 | 41% | 0.405 | 64% | 0.638 | S | S | . | * | trans | -70.7 | 126.9 | -176.5 | -157.1 | 155.2 | 0 | 0 | 0 | 104.4 | A22 L26 K29 | A22-I24 VanDerWaalsContact C-N 3.27Å; A22-I24 WeakPolarHBondContact O-CA 3.43Å; A22-I24 PolarHBondContact O-N 3.21Å; I24-L26 PolarHBondContact O-N 2.74Å; I24-K29 HydrophobicContact CG2-CB 4.06Å; I24-K29 HydrophobicContact CG2-CD 4.25Å | ||
| 25 | D | 83.4 | Confident | 78.1 | Confident | 99 Ų | 99 | 122.9 Ų | 122.9 | 53% | 0.529 | 61% | 0.611 | S | S | . | * | trans | -50.8 | 123.9 | -179.6 | 176.5 | 18 | 0 | 0 | 0 | 108.1 | K23 K27 A28 K29 | K23-D25 PolarHBondContact O-N 2.89Å; D25-K27 PolarHBondContact O-N 3.5Å; D25-K27 VanDerWaalsContact O-N 3.17Å; D25-K27 PolarHBondContact OD1-N 2.99Å; D25-K27 WeakPolarHBondContact OD2-CB 3.45Å; D25-A28 HydrophobicContact CB-CB 4.05Å; D25-A28 WeakPolarHBondContact O-CA 3.47Å; D25-A28 WeakPolarHBondContact O-CB 3.35Å; D25-A28 PolarHBondContact O-N 3.3Å; D25-K29 PolarHBondContact O-N 2.91Å | ||
| 26 | L | 86.8 | Confident | 80 | Confident | 135 Ų | 135 | 122.9 Ų | 122.9 | 71% | 0.707 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -55.1 | -37.1 | -175.4 | 179.2 | 66.1 | 0 | 0 | 0 | 109.6 | I24 K29 L30 | I24-L26 PolarHBondContact O-N 2.74Å; L26-K29 PolarHBondContact O-N 3.24Å; L26-L30 WeakPolarHBondContact O-CB 3.33Å; L26-L30 PolarHBondContact O-N 3.32Å |
| 27 | K | 89.9 | Confident | 82 | Confident | 163 Ų | 163 | 116 Ų | 116 | 71% | 0.709 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.5 | -46.2 | 174 | -173.9 | 179.3 | -179.3 | 178.7 | 0 | 111.8 | D25 K29 L30 E31 | D25-K27 PolarHBondContact O-N 3.5Å; D25-K27 VanDerWaalsContact O-N 3.17Å; D25-K27 PolarHBondContact OD1-N 2.99Å; D25-K27 WeakPolarHBondContact OD2-CB 3.45Å; K27-K29 PolarHBondContact O-N 3.34Å; K27-L30 PolarHBondContact O-N 3.22Å; K27-E31 WeakPolarHBondContact O-CB 3.46Å; K27-E31 PolarHBondContact O-N 3.03Å |
| 28 | A | 90.4 | Very high | 83.9 | Confident | 34 Ų | 34 | 109.3 Ų | 109.3 | 28% | 0.281 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.6 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D25 R32 | D25-A28 HydrophobicContact CB-CB 4.05Å; D25-A28 WeakPolarHBondContact O-CA 3.47Å; D25-A28 WeakPolarHBondContact O-CB 3.35Å; D25-A28 PolarHBondContact O-N 3.3Å; A28-R32 VanDerWaalsContact O-CZ 3.3Å; A28-R32 PolarHBondContact O-N 3.4Å; A28-R32 VanDerWaalsContact O-N 3.15Å; A28-R32 PolarHBondContact O-NH2 3.33Å |
| 29 | K | 93.8 | Very high | 85.7 | Confident | 132 Ų | 132 | 110 Ų | 110 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.4 | -44.2 | 175 | -173.3 | 178.2 | 178 | -177.3 | 0 | 111.5 | I24 D25 L26 K27 E31 R32 S33 | I24-K29 HydrophobicContact CG2-CB 4.06Å; I24-K29 HydrophobicContact CG2-CD 4.25Å; D25-K29 PolarHBondContact O-N 2.91Å; L26-K29 PolarHBondContact O-N 3.24Å; K27-K29 PolarHBondContact O-N 3.34Å; K29-E31 VanDerWaalsContact C-N 3.34Å; K29-R32 VanDerWaalsContact CA-NH2 3.27Å; K29-R32 PolarHBondContact O-N 3.34Å; K29-S33 PolarHBondContact O-N 3.41Å; K29-S33 VanDerWaalsContact O-N 3.1Å |
| 30 | L | 95.3 | Very high | 87.5 | Confident | 79 Ų | 79 | 103.5 Ų | 103.5 | 41% | 0.414 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -40.7 | 180 | -162.3 | 150.1 | 0 | 0 | 0 | 110.8 | L26 K27 S33 R34 | L26-L30 WeakPolarHBondContact O-CB 3.33Å; L26-L30 PolarHBondContact O-N 3.32Å; K27-L30 PolarHBondContact O-N 3.22Å; L30-S33 PolarHBondContact O-N 3.49Å; L30-R34 HydrophobicContact CD2-CG 4.21Å; L30-R34 VanDerWaalsContact CD2-NH2 3.31Å; L30-R34 WeakPolarHBondContact O-CG 3.45Å; L30-R34 PolarHBondContact O-N 3.37Å |
| 31 | E | 96.2 | Very high | 89.4 | Confident | 79 Ų | 79 | 104.1 Ų | 104.1 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 178.1 | -160.2 | 54 | -139.5 | 0 | 0 | 112.9 | K27 K29 S33 R34 Q35 R38 | K27-E31 WeakPolarHBondContact O-CB 3.46Å; K27-E31 PolarHBondContact O-N 3.03Å; K29-E31 VanDerWaalsContact C-N 3.34Å; E31-S33 VanDerWaalsContact C-N 3.31Å; E31-S33 PolarHBondContact O-N 2.97Å; E31-R34 PolarHBondContact O-N 2.9Å; E31-R34 WeakPolarHBondContact OE2-CD 3.4Å; E31-R34 IonicContact OE2-NH1 2.74Å; E31-R34 PolarHBondContact OE2-NH1 3.16Å; E31-R34 VanDerWaalsContact OE2-NH1 3.11Å; E31-Q35 WeakPolarHBondContact O-CB 3.46Å; E31-Q35 PolarHBondContact O-N 3.05Å; E31-R38 IonicContact OE1-CZ 3.95Å; E31-R38 IonicContact OE1-NH1 3.76Å; E31-R38 IonicContact OE1-NH2 3.11Å; E31-R38 PolarHBondContact OE1-NH2 2.92Å |
| 32 | R | 94.6 | Very high | 91.1 | Very high | 125 Ų | 125 | 102 Ų | 102 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 171.7 | -79.2 | -171.4 | -63.9 | -83.6 | -14.5 | 112.7 | A28 K29 Q35 S36 | A28-R32 VanDerWaalsContact O-CZ 3.3Å; A28-R32 PolarHBondContact O-N 3.4Å; A28-R32 VanDerWaalsContact O-N 3.15Å; A28-R32 PolarHBondContact O-NH2 3.33Å; K29-R32 VanDerWaalsContact CA-NH2 3.27Å; K29-R32 PolarHBondContact O-N 3.34Å; R32-Q35 PolarHBondContact O-N 3.01Å; R32-S36 PolarHBondContact O-N 3.41Å; R32-S36 PolarHBondContact O-OG 3.3Å |
| 33 | S | 96.2 | Very high | 92.5 | Very high | 77 Ų | 77 | 106 Ų | 106 | 54% | 0.538 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.3 | -38 | 176.8 | -168.8 | 0 | 0 | 0 | 0 | 112.3 | K29 L30 E31 Q35 S36 A37 | K29-S33 PolarHBondContact O-N 3.41Å; K29-S33 VanDerWaalsContact O-N 3.1Å; L30-S33 PolarHBondContact O-N 3.49Å; E31-S33 VanDerWaalsContact C-N 3.31Å; E31-S33 PolarHBondContact O-N 2.97Å; S33-Q35 VanDerWaalsContact C-N 3.35Å; S33-S36 PolarHBondContact O-OG 3.26Å; S33-A37 WeakPolarHBondContact O-CB 3.27Å; S33-A37 PolarHBondContact O-N 2.96Å |
| 34 | R | 98.1 | Very high | 94.1 | Very high | 132 Ų | 132 | 101.3 Ų | 101.3 | 50% | 0.498 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 173.7 | -73.3 | 173.2 | 172 | 160.5 | -1 | 111 | L30 E31 A37 R38 | L30-R34 HydrophobicContact CD2-CG 4.21Å; L30-R34 VanDerWaalsContact CD2-NH2 3.31Å; L30-R34 WeakPolarHBondContact O-CG 3.45Å; L30-R34 PolarHBondContact O-N 3.37Å; E31-R34 PolarHBondContact O-N 2.9Å; E31-R34 WeakPolarHBondContact OE2-CD 3.4Å; E31-R34 IonicContact OE2-NH1 2.74Å; E31-R34 PolarHBondContact OE2-NH1 3.16Å; E31-R34 VanDerWaalsContact OE2-NH1 3.11Å; R34-A37 PolarHBondContact O-N 3.21Å; R34-R38 WeakPolarHBondContact O-CG 3.27Å; R34-R38 PolarHBondContact O-N 3.48Å |
| 35 | Q | 98.1 | Very high | 95.6 | Very high | 80 Ų | 80 | 105 Ų | 105 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.7 | -46 | -179.2 | -173.1 | 57.8 | 20.3 | 0 | 0 | 112.1 | E31 R32 S33 A37 R38 E39 | E31-Q35 WeakPolarHBondContact O-CB 3.46Å; E31-Q35 PolarHBondContact O-N 3.05Å; R32-Q35 PolarHBondContact O-N 3.01Å; S33-Q35 VanDerWaalsContact C-N 3.35Å; Q35-A37 VanDerWaalsContact C-N 3.27Å; Q35-A37 PolarHBondContact O-N 2.98Å; Q35-R38 WeakPolarHBondContact O-CB 3.31Å; Q35-R38 PolarHBondContact O-N 2.99Å; Q35-R38 VanDerWaalsContact O-N 3.13Å; Q35-E39 WeakPolarHBondContact CG-OE1 3.27Å; Q35-E39 PolarHBondContact NE2-OE1 2.94Å; Q35-E39 WeakPolarHBondContact O-CG 3.33Å; Q35-E39 PolarHBondContact O-N 3.13Å |
| 36 | S | 97.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 105.7 Ų | 105.7 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 176.4 | 65.1 | 0 | 0 | 0 | 0 | 112.4 | R32 S33 C40 | R32-S36 PolarHBondContact O-N 3.41Å; R32-S36 PolarHBondContact O-OG 3.3Å; S33-S36 PolarHBondContact O-OG 3.26Å; S36-C40 WeakPolarHBondContact O-CB 3.48Å; S36-C40 PolarHBondContact O-N 3.47Å |
| 37 | A | 98.1 | Very high | 96.9 | Very high | 46 Ų | 46 | 107.6 Ų | 107.6 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S33 R34 Q35 C40 R41 | S33-A37 WeakPolarHBondContact O-CB 3.27Å; S33-A37 PolarHBondContact O-N 2.96Å; R34-A37 PolarHBondContact O-N 3.21Å; Q35-A37 VanDerWaalsContact C-N 3.27Å; Q35-A37 PolarHBondContact O-N 2.98Å; A37-C40 WeakPolarHBondContact O-CB 3.46Å; A37-C40 PolarHBondContact O-N 3.44Å; A37-R41 WeakPolarHBondContact O-CG 3.39Å; A37-R41 PolarHBondContact O-N 3.34Å; A37-R41 VanDerWaalsContact O-N 3.17Å |
| 38 | R | 98.5 | Very high | 97.3 | Very high | 117 Ų | 117 | 105.9 Ų | 105.9 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 174.2 | -75.4 | -172.8 | -75.8 | -107.4 | 1.3 | 111.4 | E31 R34 Q35 C40 R41 A42 | E31-R38 IonicContact OE1-CZ 3.95Å; E31-R38 IonicContact OE1-NH1 3.76Å; E31-R38 IonicContact OE1-NH2 3.11Å; E31-R38 PolarHBondContact OE1-NH2 2.92Å; R34-R38 WeakPolarHBondContact O-CG 3.27Å; R34-R38 PolarHBondContact O-N 3.48Å; Q35-R38 WeakPolarHBondContact O-CB 3.31Å; Q35-R38 PolarHBondContact O-N 2.99Å; Q35-R38 VanDerWaalsContact O-N 3.13Å; R38-C40 VanDerWaalsContact C-N 3.31Å; R38-C40 PolarHBondContact O-N 2.96Å; R38-R41 PolarHBondContact O-N 3.33Å; R38-A42 WeakPolarHBondContact O-CB 3.48Å; R38-A42 PolarHBondContact O-N 3.25Å |
| 39 | E | 98.4 | Very high | 97.7 | Very high | 86 Ų | 86 | 108.5 Ų | 108.5 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -35.7 | 177.7 | -73.2 | 170.1 | -167.4 | 0 | 0 | 112.6 | Q35 A42 R43 | Q35-E39 WeakPolarHBondContact CG-OE1 3.27Å; Q35-E39 PolarHBondContact NE2-OE1 2.94Å; Q35-E39 WeakPolarHBondContact O-CG 3.33Å; Q35-E39 PolarHBondContact O-N 3.13Å; E39-A42 PolarHBondContact O-N 3.08Å; E39-R43 VanDerWaalsContact O-CB 3.28Å; E39-R43 WeakPolarHBondContact O-CB 3.43Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.23Å; E39-R43 PolarHBondContact O-N 3.32Å; E39-R43 PolarHBondContact O-NE 3.49Å |
| 40 | C | 98.5 | Very high | 97.9 | Very high | 73 Ų | 73 | 108.7 Ų | 108.7 | 49% | 0.493 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | S36 A37 R38 R43 K44 | S36-C40 WeakPolarHBondContact O-CB 3.48Å; S36-C40 PolarHBondContact O-N 3.47Å; A37-C40 WeakPolarHBondContact O-CB 3.46Å; A37-C40 PolarHBondContact O-N 3.44Å; R38-C40 VanDerWaalsContact C-N 3.31Å; R38-C40 PolarHBondContact O-N 2.96Å; C40-R43 PolarHBondContact O-N 3.05Å; C40-K44 WeakPolarHBondContact O-CB 3.3Å; C40-K44 PolarHBondContact O-N 2.91Å |
| 41 | R | 98.6 | Very high | 98.1 | Very high | 197 Ų | 197 | 108.7 Ų | 108.7 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.5 | -45.8 | 177.6 | -65.8 | 175 | -173.8 | -160.6 | 0.9 | 111.7 | A37 R38 R43 K44 K45 | A37-R41 WeakPolarHBondContact O-CG 3.39Å; A37-R41 PolarHBondContact O-N 3.34Å; A37-R41 VanDerWaalsContact O-N 3.17Å; R38-R41 PolarHBondContact O-N 3.33Å; R41-R43 PolarHBondContact O-N 2.84Å; R41-K44 PolarHBondContact O-N 3.29Å; R41-K45 PolarHBondContact O-N 3.03Å |
| 42 | A | 98.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 111.2 Ų | 111.2 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R38 E39 K44 K45 L46 | R38-A42 WeakPolarHBondContact O-CB 3.48Å; R38-A42 PolarHBondContact O-N 3.25Å; E39-A42 PolarHBondContact O-N 3.08Å; A42-K44 PolarHBondContact O-N 2.89Å; A42-K45 PolarHBondContact O-N 3.47Å; A42-L46 PolarHBondContact O-N 3.08Å |
| 43 | R | 98.6 | Very high | 98.4 | Very high | 159 Ų | 159 | 110.3 Ų | 110.3 | 60% | 0.6 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | 176 | -76.3 | -177 | -70.3 | -168.1 | -3.1 | 112.6 | E39 C40 R41 L46 R47 | E39-R43 VanDerWaalsContact O-CB 3.28Å; E39-R43 WeakPolarHBondContact O-CB 3.43Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.23Å; E39-R43 PolarHBondContact O-N 3.32Å; E39-R43 PolarHBondContact O-NE 3.49Å; C40-R43 PolarHBondContact O-N 3.05Å; R41-R43 PolarHBondContact O-N 2.84Å; R43-L46 PolarHBondContact O-N 3.39Å; R43-R47 WeakPolarHBondContact O-CB 3.38Å; R43-R47 PolarHBondContact O-N 3.46Å |
| 44 | K | 98.8 | Very high | 98.5 | Very high | 116 Ų | 116 | 109.7 Ų | 109.7 | 50% | 0.504 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.2 | -176.3 | 174 | 177.2 | 175.6 | 0 | 111.2 | C40 R41 A42 R47 Y48 | C40-K44 WeakPolarHBondContact O-CB 3.3Å; C40-K44 PolarHBondContact O-N 2.91Å; R41-K44 PolarHBondContact O-N 3.29Å; A42-K44 PolarHBondContact O-N 2.89Å; K44-R47 PolarHBondContact O-N 3.22Å; K44-Y48 HydrophobicContact CD-CE2 4.1Å; K44-Y48 VanDerWaalsContact CE-CZ 3.47Å; K44-Y48 WeakPolarHBondContact CE-OH 3.39Å; K44-Y48 HydrophobicContact CG-CD2 4.11Å; K44-Y48 HydrophobicContact CG-CE2 3.69Å; K44-Y48 PolarHBondContact O-N 3.43Å; K44-Y48 VanDerWaalsContact O-N 3.07Å |
| 45 | K | 98.6 | Very high | 98.5 | Very high | 156 Ų | 156 | 107 Ų | 107 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.2 | -50.3 | 176.3 | -173.9 | 178.3 | 179.8 | -178.3 | 0 | 111.2 | R41 A42 R47 Y48 Q49 | R41-K45 PolarHBondContact O-N 3.03Å; A42-K45 PolarHBondContact O-N 3.47Å; K45-R47 VanDerWaalsContact C-N 3.33Å; K45-R47 PolarHBondContact O-N 3.39Å; K45-Y48 PolarHBondContact O-N 3.24Å; K45-Q49 WeakPolarHBondContact O-CB 3.39Å; K45-Q49 PolarHBondContact O-N 3.31Å |
| 46 | L | 98.7 | Very high | 98.6 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 179.7 | -174.9 | 64.5 | 0 | 0 | 0 | 112.2 | A42 R43 Y48 Q49 Y50 | A42-L46 PolarHBondContact O-N 3.08Å; R43-L46 PolarHBondContact O-N 3.39Å; L46-Y48 PolarHBondContact O-N 3.06Å; L46-Q49 PolarHBondContact O-N 3.49Å; L46-Y50 PolarHBondContact O-N 2.9Å |
| 47 | R | 98.6 | Very high | 98.6 | Very high | 175 Ų | 175 | 105.3 Ų | 105.3 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 177.3 | -177.7 | 178.8 | 179.2 | -170.6 | -0.2 | 111.7 | R43 K44 K45 L51 | R43-R47 WeakPolarHBondContact O-CB 3.38Å; R43-R47 PolarHBondContact O-N 3.46Å; K44-R47 PolarHBondContact O-N 3.22Å; K45-R47 VanDerWaalsContact C-N 3.33Å; K45-R47 PolarHBondContact O-N 3.39Å; R47-L51 HydrophobicContact CG-CD1 4.3Å; R47-L51 VanDerWaalsContact O-CG 3.31Å; R47-L51 WeakPolarHBondContact O-CG 3.42Å; R47-L51 PolarHBondContact O-N 3.07Å; R47-L51 VanDerWaalsContact O-N 3.12Å |
| 48 | Y | 98.8 | Very high | 98.6 | Very high | 127 Ų | 127 | 109.7 Ų | 109.7 | 50% | 0.498 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70 | -40.3 | 179.2 | -67.4 | -20.7 | 0 | 0 | 0 | 112.2 | K44 K45 L46 Y50 L51 E52 | K44-Y48 HydrophobicContact CD-CE2 4.1Å; K44-Y48 VanDerWaalsContact CE-CZ 3.47Å; K44-Y48 WeakPolarHBondContact CE-OH 3.39Å; K44-Y48 HydrophobicContact CG-CD2 4.11Å; K44-Y48 HydrophobicContact CG-CE2 3.69Å; K44-Y48 PolarHBondContact O-N 3.43Å; K44-Y48 VanDerWaalsContact O-N 3.07Å; K45-Y48 PolarHBondContact O-N 3.24Å; L46-Y48 PolarHBondContact O-N 3.06Å; Y48-Y50 VanDerWaalsContact C-N 3.34Å; Y48-Y50 PolarHBondContact O-N 2.95Å; Y48-L51 HydrophobicContact CD1-CD1 4.45Å; Y48-L51 PolarHBondContact O-N 3.36Å; Y48-E52 WeakPolarHBondContact O-CB 3.5Å; Y48-E52 PolarHBondContact O-N 2.92Å |
| 49 | Q | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 109.3 Ų | 109.3 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.8 | -47.4 | 173.5 | -178 | 178.4 | -1.3 | 0 | 0 | 111.7 | K45 L46 L51 E52 E53 | K45-Q49 WeakPolarHBondContact O-CB 3.39Å; K45-Q49 PolarHBondContact O-N 3.31Å; L46-Q49 PolarHBondContact O-N 3.49Å; Q49-L51 PolarHBondContact O-N 2.57Å; Q49-E52 PolarHBondContact O-N 3.49Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.37Å; Q49-E53 PolarHBondContact NE2-OE1 2.83Å; Q49-E53 WeakPolarHBondContact O-CB 3.42Å; Q49-E53 WeakPolarHBondContact O-CG 3.34Å; Q49-E53 PolarHBondContact O-N 2.94Å |
| 50 | Y | 98.7 | Very high | 98.6 | Very high | 137 Ų | 137 | 112.9 Ų | 112.9 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.1 | 173.7 | -111.1 | 0 | 0 | 0 | 112.7 | L46 Y48 E53 L54 | L46-Y50 PolarHBondContact O-N 2.9Å; Y48-Y50 VanDerWaalsContact C-N 3.34Å; Y48-Y50 PolarHBondContact O-N 2.95Å; Y50-E53 PolarHBondContact O-N 3.15Å; Y50-L54 HydrophobicContact CD1-CD1 4Å; Y50-L54 HydrophobicContact CD2-CG 4.38Å; Y50-L54 HydrophobicContact CE1-CD1 3.37Å; Y50-L54 HydrophobicContact CE1-CG 4.12Å; Y50-L54 HydrophobicContact CE2-CD1 4.09Å; Y50-L54 HydrophobicContact CE2-CD2 4.18Å; Y50-L54 HydrophobicContact CE2-CG 3.94Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.43Å; Y50-L54 WeakPolarHBondContact O-CB 3.31Å; Y50-L54 WeakPolarHBondContact O-CG 3.16Å; Y50-L54 PolarHBondContact O-N 3.17Å |
| 51 | L | 98.7 | Very high | 98.6 | Very high | 78 Ų | 78 | 111.9 Ų | 111.9 | 41% | 0.408 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 177.5 | -71.4 | 173.4 | 0 | 0 | 0 | 111.8 | R47 Y48 Q49 L54 V55 | R47-L51 HydrophobicContact CG-CD1 4.3Å; R47-L51 VanDerWaalsContact O-CG 3.31Å; R47-L51 WeakPolarHBondContact O-CG 3.42Å; R47-L51 PolarHBondContact O-N 3.07Å; R47-L51 VanDerWaalsContact O-N 3.12Å; Y48-L51 HydrophobicContact CD1-CD1 4.45Å; Y48-L51 PolarHBondContact O-N 3.36Å; Q49-L51 PolarHBondContact O-N 2.57Å; L51-L54 PolarHBondContact O-N 2.97Å; L51-V55 VanDerWaalsContact O-CG2 3.3Å; L51-V55 WeakPolarHBondContact O-CG2 3.35Å; L51-V55 PolarHBondContact O-N 3.33Å |
| 52 | E | 98.6 | Very high | 98.6 | Very high | 133 Ų | 133 | 106.6 Ų | 106.6 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -49.5 | 175 | -175.6 | 173.9 | -167 | 0 | 0 | 110.8 | Y48 Q49 L54 V55 S56 | Y48-E52 WeakPolarHBondContact O-CB 3.5Å; Y48-E52 PolarHBondContact O-N 2.92Å; Q49-E52 PolarHBondContact O-N 3.49Å; E52-L54 VanDerWaalsContact C-N 3.32Å; E52-L54 PolarHBondContact O-N 3.29Å; E52-V55 PolarHBondContact O-N 2.85Å; E52-V55 VanDerWaalsContact O-N 3.17Å; E52-S56 WeakPolarHBondContact O-CB 3.43Å; E52-S56 PolarHBondContact O-N 3.47Å; E52-S56 PolarHBondContact O-OG 3.03Å |
| 53 | E | 98.4 | Very high | 98.6 | Very high | 105 Ų | 105 | 107 Ų | 107 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -41.3 | 176.6 | -73.5 | 171.2 | -168.3 | 0 | 0 | 112.3 | Q49 Y50 S57 | Q49-E53 WeakPolarHBondContact CG-OE1 3.37Å; Q49-E53 PolarHBondContact NE2-OE1 2.83Å; Q49-E53 WeakPolarHBondContact O-CB 3.42Å; Q49-E53 WeakPolarHBondContact O-CG 3.34Å; Q49-E53 PolarHBondContact O-N 2.94Å; Y50-E53 PolarHBondContact O-N 3.15Å; E53-S57 WeakPolarHBondContact O-CB 3.38Å; E53-S57 PolarHBondContact O-N 3.22Å |
| 54 | L | 98.6 | Very high | 98.6 | Very high | 64 Ų | 64 | 101.8 Ų | 101.8 | 34% | 0.335 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 175 | -78.9 | -179.6 | 0 | 0 | 0 | 112.5 | Y50 L51 E52 K58 | Y50-L54 HydrophobicContact CD1-CD1 4Å; Y50-L54 HydrophobicContact CD2-CG 4.38Å; Y50-L54 HydrophobicContact CE1-CD1 3.37Å; Y50-L54 HydrophobicContact CE1-CG 4.12Å; Y50-L54 HydrophobicContact CE2-CD1 4.09Å; Y50-L54 HydrophobicContact CE2-CD2 4.18Å; Y50-L54 HydrophobicContact CE2-CG 3.94Å; Y50-L54 VanDerWaalsContact CZ-CD1 3.43Å; Y50-L54 WeakPolarHBondContact O-CB 3.31Å; Y50-L54 WeakPolarHBondContact O-CG 3.16Å; Y50-L54 PolarHBondContact O-N 3.17Å; L51-L54 PolarHBondContact O-N 2.97Å; E52-L54 VanDerWaalsContact C-N 3.32Å; E52-L54 PolarHBondContact O-N 3.29Å; L54-K58 WeakPolarHBondContact O-CG 3.2Å; L54-K58 PolarHBondContact O-N 3.34Å; L54-K58 VanDerWaalsContact O-N 3.14Å |
| 55 | V | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 101.5 Ų | 101.5 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -51.7 | 179.9 | 170.2 | 0 | 0 | 0 | 0 | 109.8 | L51 E52 S57 K58 E59 | L51-V55 VanDerWaalsContact O-CG2 3.3Å; L51-V55 WeakPolarHBondContact O-CG2 3.35Å; L51-V55 PolarHBondContact O-N 3.33Å; E52-V55 PolarHBondContact O-N 2.85Å; E52-V55 VanDerWaalsContact O-N 3.17Å; V55-S57 VanDerWaalsContact C-N 3.26Å; V55-S57 PolarHBondContact O-N 3.45Å; V55-K58 PolarHBondContact O-N 2.86Å; V55-K58 VanDerWaalsContact O-N 3.08Å; V55-E59 HydrophobicContact CG1-CG 4.26Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.49Å; V55-E59 WeakPolarHBondContact O-CG 3.47Å; V55-E59 PolarHBondContact O-N 3.3Å |
| 56 | S | 98.7 | Very high | 98.5 | Very high | 44 Ų | 44 | 102.7 Ų | 102.7 | 31% | 0.308 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 113 | E52 R60 | E52-S56 WeakPolarHBondContact O-CB 3.43Å; E52-S56 PolarHBondContact O-N 3.47Å; E52-S56 PolarHBondContact O-OG 3.03Å; S56-R60 WeakPolarHBondContact O-CB 3.31Å; S56-R60 WeakPolarHBondContact O-CG 3.36Å; S56-R60 PolarHBondContact O-N 3.14Å; S56-R60 VanDerWaalsContact O-N 3.08Å; S56-R60 PolarHBondContact O-NE 2.95Å |
| 57 | S | 98.4 | Very high | 98.4 | Very high | 59 Ų | 59 | 103.8 Ų | 103.8 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 174.9 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | E53 V55 R60 A61 | E53-S57 WeakPolarHBondContact O-CB 3.38Å; E53-S57 PolarHBondContact O-N 3.22Å; V55-S57 VanDerWaalsContact C-N 3.26Å; V55-S57 PolarHBondContact O-N 3.45Å; S57-R60 PolarHBondContact O-N 2.97Å; S57-A61 PolarHBondContact O-N 2.89Å; S57-A61 VanDerWaalsContact O-N 3.07Å |
| 58 | K | 98.6 | Very high | 98.3 | Very high | 138 Ų | 138 | 99.6 Ų | 99.6 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 177.2 | -72.2 | 177.9 | 178.8 | -174.9 | 0 | 112.1 | L54 V55 R60 A61 I62 | L54-K58 WeakPolarHBondContact O-CG 3.2Å; L54-K58 PolarHBondContact O-N 3.34Å; L54-K58 VanDerWaalsContact O-N 3.14Å; V55-K58 PolarHBondContact O-N 2.86Å; V55-K58 VanDerWaalsContact O-N 3.08Å; K58-R60 PolarHBondContact O-N 3.12Å; K58-A61 PolarHBondContact O-N 3.31Å; K58-I62 VanDerWaalsContact O-CG1 3.27Å; K58-I62 WeakPolarHBondContact O-CG1 3.48Å; K58-I62 PolarHBondContact O-N 2.93Å |
| 59 | E | 98.7 | Very high | 98.2 | Very high | 109 Ų | 109 | 98.7 Ų | 98.7 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 177.3 | -72.1 | 172 | 164.3 | 0 | 0 | 111.2 | V55 A61 I62 C63 | V55-E59 HydrophobicContact CG1-CG 4.26Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.49Å; V55-E59 WeakPolarHBondContact O-CG 3.47Å; V55-E59 PolarHBondContact O-N 3.3Å; E59-A61 PolarHBondContact O-N 3.44Å; E59-I62 PolarHBondContact O-N 2.98Å; E59-C63 PolarHBondContact O-N 3.42Å; E59-C63 PolarHBondContact O-SG 3.41Å; E59-C63 VanDerWaalsContact O-SG 3.33Å |
| 60 | R | 98.4 | Very high | 98.1 | Very high | 162 Ų | 162 | 98.3 Ų | 98.3 | 61% | 0.611 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59 | -44 | 174.6 | -80.9 | -174.3 | -81.3 | 100.4 | -3.8 | 112.7 | S56 S57 K58 I62 C63 A64 | S56-R60 WeakPolarHBondContact O-CB 3.31Å; S56-R60 WeakPolarHBondContact O-CG 3.36Å; S56-R60 PolarHBondContact O-N 3.14Å; S56-R60 VanDerWaalsContact O-N 3.08Å; S56-R60 PolarHBondContact O-NE 2.95Å; S57-R60 PolarHBondContact O-N 2.97Å; K58-R60 PolarHBondContact O-N 3.12Å; R60-I62 VanDerWaalsContact C-N 3.35Å; R60-C63 PolarHBondContact O-N 3.07Å; R60-A64 PolarHBondContact O-N 3.21Å |
| 61 | A | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 94.7 Ų | 94.7 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | S57 K58 E59 A64 L65 | S57-A61 PolarHBondContact O-N 2.89Å; S57-A61 VanDerWaalsContact O-N 3.07Å; K58-A61 PolarHBondContact O-N 3.31Å; E59-A61 PolarHBondContact O-N 3.44Å; A61-A64 PolarHBondContact O-N 3.43Å; A61-L65 VanDerWaalsContact O-CG 3.31Å; A61-L65 WeakPolarHBondContact O-CG 3.47Å; A61-L65 PolarHBondContact O-N 3.27Å |
| 62 | I | 98.4 | Very high | 97.5 | Very high | 86 Ų | 86 | 96.1 Ų | 96.1 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 176.7 | -69.9 | 165 | 0 | 0 | 0 | 111 | K58 E59 R60 L65 R66 | K58-I62 VanDerWaalsContact O-CG1 3.27Å; K58-I62 WeakPolarHBondContact O-CG1 3.48Å; K58-I62 PolarHBondContact O-N 2.93Å; E59-I62 PolarHBondContact O-N 2.98Å; R60-I62 VanDerWaalsContact C-N 3.35Å; I62-L65 PolarHBondContact O-N 3.38Å; I62-R66 HydrophobicContact CG2-CG 4.42Å; I62-R66 WeakPolarHBondContact O-CB 3.46Å; I62-R66 VanDerWaalsContact O-CG 3.27Å; I62-R66 WeakPolarHBondContact O-CG 3.35Å; I62-R66 PolarHBondContact O-N 3.47Å |
| 63 | C | 98.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 95 Ų | 95 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.8 | -48.3 | 177.3 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | E59 R60 L65 R66 E67 | E59-C63 PolarHBondContact O-N 3.42Å; E59-C63 PolarHBondContact O-SG 3.41Å; E59-C63 VanDerWaalsContact O-SG 3.33Å; R60-C63 PolarHBondContact O-N 3.07Å; C63-L65 PolarHBondContact O-N 2.94Å; C63-R66 PolarHBondContact O-N 3.41Å; C63-R66 VanDerWaalsContact O-N 3.13Å; C63-E67 WeakPolarHBondContact O-CG 3.35Å; C63-E67 PolarHBondContact O-N 3.46Å |
| 64 | A | 98 | Very high | 97 | Very high | 51 Ų | 51 | 95.3 Ų | 95.3 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R60 A61 R66 E67 E68 | R60-A64 PolarHBondContact O-N 3.21Å; A61-A64 PolarHBondContact O-N 3.43Å; A64-R66 VanDerWaalsContact C-N 3.31Å; A64-R66 PolarHBondContact O-N 2.89Å; A64-E67 PolarHBondContact O-N 3.43Å; A64-E68 WeakPolarHBondContact O-CB 3.48Å; A64-E68 PolarHBondContact O-N 3.1Å |
| 65 | L | 98.1 | Very high | 96.6 | Very high | 110 Ų | 110 | 93.9 Ų | 93.9 | 58% | 0.576 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.3 | -34.2 | 177.9 | -70.2 | 172.6 | 0 | 0 | 0 | 112.7 | A61 I62 C63 L69 | A61-L65 VanDerWaalsContact O-CG 3.31Å; A61-L65 WeakPolarHBondContact O-CG 3.47Å; A61-L65 PolarHBondContact O-N 3.27Å; I62-L65 PolarHBondContact O-N 3.38Å; C63-L65 PolarHBondContact O-N 2.94Å; L65-L69 VanDerWaalsContact O-CB 3.31Å; L65-L69 WeakPolarHBondContact O-CB 3.48Å; L65-L69 PolarHBondContact O-N 2.99Å |
| 66 | R | 98.1 | Very high | 96.3 | Very high | 181 Ų | 181 | 93.4 Ų | 93.4 | 68% | 0.683 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -69.3 | -41.8 | 176.1 | -76.4 | 173.5 | 175.6 | -116.6 | 0.1 | 111.7 | I62 C63 A64 L69 E70 | I62-R66 HydrophobicContact CG2-CG 4.42Å; I62-R66 WeakPolarHBondContact O-CB 3.46Å; I62-R66 VanDerWaalsContact O-CG 3.27Å; I62-R66 WeakPolarHBondContact O-CG 3.35Å; I62-R66 PolarHBondContact O-N 3.47Å; C63-R66 PolarHBondContact O-N 3.41Å; C63-R66 VanDerWaalsContact O-N 3.13Å; A64-R66 VanDerWaalsContact C-N 3.31Å; A64-R66 PolarHBondContact O-N 2.89Å; R66-L69 PolarHBondContact O-N 2.91Å; R66-E70 WeakPolarHBondContact O-CB 3.34Å; R66-E70 PolarHBondContact O-N 2.97Å |
| 67 | E | 97.1 | Very high | 95.9 | Very high | 138 Ų | 138 | 94.9 Ų | 94.9 | 65% | 0.645 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.7 | -45.8 | 176 | -71.9 | 167.9 | -169.1 | 0 | 0 | 111 | C63 A64 E70 M71 | C63-E67 WeakPolarHBondContact O-CG 3.35Å; C63-E67 PolarHBondContact O-N 3.46Å; A64-E67 PolarHBondContact O-N 3.43Å; E67-E70 PolarHBondContact O-N 3.17Å; E67-M71 WeakPolarHBondContact O-CB 3.48Å; E67-M71 PolarHBondContact O-N 3.27Å |
| 68 | E | 95.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 93.1 Ų | 93.1 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 176.4 | -177 | 179.4 | -166.9 | 0 | 0 | 112 | A64 E70 M71 Y72 | A64-E68 WeakPolarHBondContact O-CB 3.48Å; A64-E68 PolarHBondContact O-N 3.1Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 3.17Å; E68-M71 HydrophobicContact CG-CE 4.47Å; E68-M71 WeakPolarHBondContact O-CB 3.33Å; E68-M71 PolarHBondContact O-N 3.5Å; E68-Y72 HydrophobicContact CG-CD2 4.06Å; E68-Y72 HydrophobicContact CG-CE2 3.49Å; E68-Y72 VanDerWaalsContact CG-CE2 3.49Å; E68-Y72 VanDerWaalsContact O-CD2 3.23Å; E68-Y72 WeakPolarHBondContact O-CD2 3.43Å; E68-Y72 PolarHBondContact O-N 3.47Å; E68-Y72 PolarHBondContact OE1-OH 3.44Å |
| 69 | L | 97.1 | Very high | 95 | Very high | 108 Ų | 108 | 90.7 Ų | 90.7 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 176.5 | -178.6 | 65.5 | 0 | 0 | 0 | 111.9 | L65 R66 Y72 K73 | L65-L69 VanDerWaalsContact O-CB 3.31Å; L65-L69 WeakPolarHBondContact O-CB 3.48Å; L65-L69 PolarHBondContact O-N 2.99Å; R66-L69 PolarHBondContact O-N 2.91Å; L69-Y72 PolarHBondContact O-N 3.12Å; L69-K73 HydrophobicContact CG-CD 4.4Å; L69-K73 WeakPolarHBondContact O-CG 3.26Å; L69-K73 PolarHBondContact O-N 3.02Å |
| 70 | E | 96.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 92.2 Ų | 92.2 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.7 | -38.2 | 179.8 | -171.5 | 55.3 | -147.6 | 0 | 0 | 111.5 | R66 E67 E68 Y72 K73 Q74 | R66-E70 WeakPolarHBondContact O-CB 3.34Å; R66-E70 PolarHBondContact O-N 2.97Å; E67-E70 PolarHBondContact O-N 3.17Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 3.17Å; E70-Y72 PolarHBondContact O-N 3.4Å; E70-K73 PolarHBondContact O-N 3.49Å; E70-K73 IonicContact OE1-NZ 3.96Å; E70-K73 IonicContact OE2-NZ 2.71Å; E70-K73 PolarHBondContact OE2-NZ 2.89Å; E70-Q74 WeakPolarHBondContact O-CG 3.43Å; E70-Q74 PolarHBondContact O-N 2.94Å |
| 71 | M | 93.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 90.5 Ų | 90.5 | 30% | 0.3 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.4 | -49.7 | 170.5 | 178.3 | -163.4 | 72.8 | 0 | 0 | 111.2 | E67 E68 K73 Q74 W75 | E67-M71 WeakPolarHBondContact O-CB 3.48Å; E67-M71 PolarHBondContact O-N 3.27Å; E68-M71 HydrophobicContact CG-CE 4.47Å; E68-M71 WeakPolarHBondContact O-CB 3.33Å; E68-M71 PolarHBondContact O-N 3.5Å; M71-K73 VanDerWaalsContact C-N 3.34Å; M71-K73 PolarHBondContact O-N 2.9Å; M71-Q74 PolarHBondContact O-N 3.26Å; M71-W75 HydrophobicContact CE-CH2 3.74Å; M71-W75 HydrophobicContact CE-CZ2 3.9Å; M71-W75 HydrophobicContact CE-CZ3 4.09Å; M71-W75 HydrophobicContact CG-CD2 4.33Å; M71-W75 HydrophobicContact CG-CZ2 3.79Å; M71-W75 PolarHBondContact O-N 3.37Å; M71-W75 HydrophobicContact SD-CH2 3.94Å; M71-W75 HydrophobicContact SD-CZ2 3.52Å; M71-W75 VanDerWaalsContact SD-CZ2 3.52Å |
| 72 | Y | 92.3 | Very high | 93.6 | Very high | 108 Ų | 108 | 91.2 Ų | 91.2 | 42% | 0.424 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 178.5 | -70.1 | -48 | 0 | 0 | 0 | 113 | E68 L69 E70 Q74 W75 C76 | E68-Y72 HydrophobicContact CG-CD2 4.06Å; E68-Y72 HydrophobicContact CG-CE2 3.49Å; E68-Y72 VanDerWaalsContact CG-CE2 3.49Å; E68-Y72 VanDerWaalsContact O-CD2 3.23Å; E68-Y72 WeakPolarHBondContact O-CD2 3.43Å; E68-Y72 PolarHBondContact O-N 3.47Å; E68-Y72 PolarHBondContact OE1-OH 3.44Å; L69-Y72 PolarHBondContact O-N 3.12Å; E70-Y72 PolarHBondContact O-N 3.4Å; Y72-Q74 PolarHBondContact O-N 3.48Å; Y72-W75 AromaticContact CD1-CE3 3.75Å; Y72-W75 HydrophobicContact CD1-CE3 3.75Å; Y72-W75 AromaticContact CD1-CZ3 3.95Å; Y72-W75 HydrophobicContact CD1-CZ3 3.95Å; Y72-W75 HydrophobicContact CE1-CE3 4.04Å; Y72-W75 AromaticContact CE1-CZ3 3.74Å; Y72-W75 HydrophobicContact CE1-CZ3 3.74Å; Y72-W75 WeakPolarHBondContact O-CB 3.47Å; Y72-W75 PolarHBondContact O-N 2.98Å; Y72-C76 PolarHBondContact O-N 3.25Å; Y72-C76 PolarHBondContact O-SG 3.27Å; Y72-C76 VanDerWaalsContact O-SG 3.37Å |
| 73 | K | 94.3 | Very high | 93 | Very high | 108 Ų | 108 | 93.5 Ų | 93.5 | 47% | 0.47 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.1 | -74.1 | 170.1 | 63.3 | -148.2 | 0 | 112.3 | L69 E70 M71 W75 C76 T77 | L69-K73 HydrophobicContact CG-CD 4.4Å; L69-K73 WeakPolarHBondContact O-CG 3.26Å; L69-K73 PolarHBondContact O-N 3.02Å; E70-K73 PolarHBondContact O-N 3.49Å; E70-K73 IonicContact OE1-NZ 3.96Å; E70-K73 IonicContact OE2-NZ 2.71Å; E70-K73 PolarHBondContact OE2-NZ 2.89Å; M71-K73 VanDerWaalsContact C-N 3.34Å; M71-K73 PolarHBondContact O-N 2.9Å; K73-W75 VanDerWaalsContact C-N 3.3Å; K73-C76 PolarHBondContact O-N 2.96Å; K73-T77 PolarHBondContact O-N 2.88Å; K73-T77 PolarHBondContact O-OG1 3.33Å |
| 74 | Q | 92 | Very high | 92.2 | Very high | 113 Ų | 113 | 96.2 Ų | 96.2 | 53% | 0.528 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 176.1 | -70.9 | 172.1 | 21.6 | 0 | 0 | 111.2 | E70 M71 Y72 T77 A78 | E70-Q74 WeakPolarHBondContact O-CG 3.43Å; E70-Q74 PolarHBondContact O-N 2.94Å; M71-Q74 PolarHBondContact O-N 3.26Å; Y72-Q74 PolarHBondContact O-N 3.48Å; Q74-T77 PolarHBondContact O-N 2.9Å; Q74-A78 WeakPolarHBondContact O-CB 3.28Å; Q74-A78 PolarHBondContact O-N 3.29Å |
| 75 | W | 90.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 94.7 Ų | 94.7 | 13% | 0.129 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.2 | -72.6 | 4.3 | 0 | 0 | 0 | 113 | M71 Y72 K73 T77 A78 M79 P85 E87 I88 L91 | M71-W75 HydrophobicContact CE-CH2 3.74Å; M71-W75 HydrophobicContact CE-CZ2 3.9Å; M71-W75 HydrophobicContact CE-CZ3 4.09Å; M71-W75 HydrophobicContact CG-CD2 4.33Å; M71-W75 HydrophobicContact CG-CZ2 3.79Å; M71-W75 PolarHBondContact O-N 3.37Å; M71-W75 HydrophobicContact SD-CH2 3.94Å; M71-W75 HydrophobicContact SD-CZ2 3.52Å; M71-W75 VanDerWaalsContact SD-CZ2 3.52Å; Y72-W75 AromaticContact CD1-CE3 3.75Å; Y72-W75 HydrophobicContact CD1-CE3 3.75Å; Y72-W75 AromaticContact CD1-CZ3 3.95Å; Y72-W75 HydrophobicContact CD1-CZ3 3.95Å; Y72-W75 HydrophobicContact CE1-CE3 4.04Å; Y72-W75 AromaticContact CE1-CZ3 3.74Å; Y72-W75 HydrophobicContact CE1-CZ3 3.74Å; Y72-W75 WeakPolarHBondContact O-CB 3.47Å; Y72-W75 PolarHBondContact O-N 2.98Å; K73-W75 VanDerWaalsContact C-N 3.3Å; W75-T77 VanDerWaalsContact C-N 3.3Å; W75-T77 PolarHBondContact O-N 3.38Å; W75-A78 PolarHBondContact O-N 3.4Å; W75-M79 WeakPolarHBondContact O-CB 3.5Å; W75-M79 WeakPolarHBondContact O-CG 3.5Å; W75-M79 PolarHBondContact O-N 3.4Å; W75-P85 HydrophobicContact CB-CG 4.28Å; W75-P85 HydrophobicContact CG-CB 4.36Å; W75-P85 HydrophobicContact CG-CG 4.07Å; W75-E87 HydrophobicContact CH2-CB 3.85Å; W75-E87 HydrophobicContact CZ2-CB 3.25Å; W75-E87 HydrophobicContact CZ2-CG 3.99Å; W75-I88 HydrophobicContact CB-CD1 3.66Å; W75-I88 HydrophobicContact CD2-CD1 3.62Å; W75-I88 HydrophobicContact CD2-CG1 3.62Å; W75-I88 HydrophobicContact CE3-CD1 3.47Å; W75-I88 VanDerWaalsContact CE3-CD1 3.47Å; W75-I88 HydrophobicContact CE3-CG1 3.24Å; W75-I88 HydrophobicContact CG-CD1 3.73Å; W75-I88 HydrophobicContact CG-CG1 4.23Å; W75-I88 HydrophobicContact CH2-CG1 4.22Å; W75-I88 HydrophobicContact CZ3-CD1 4.3Å; W75-I88 HydrophobicContact CZ3-CG1 3.56Å; W75-L91 HydrophobicContact CH2-CD1 3.85Å; W75-L91 HydrophobicContact CZ3-CD1 3.95Å |
| 76 | C | 90.9 | Very high | 90.4 | Very high | 65 Ų | 65 | 93.4 Ų | 93.4 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.7 | -47.6 | 173.7 | -66.6 | 0 | 0 | 0 | 0 | 110.8 | Y72 K73 A78 M79 D80 | Y72-C76 PolarHBondContact O-N 3.25Å; Y72-C76 PolarHBondContact O-SG 3.27Å; Y72-C76 VanDerWaalsContact O-SG 3.37Å; K73-C76 PolarHBondContact O-N 2.96Å; C76-A78 VanDerWaalsContact C-N 3.32Å; C76-A78 PolarHBondContact O-N 3.22Å; C76-M79 PolarHBondContact O-N 3.13Å; C76-D80 PolarHBondContact O-N 3.33Å |
| 77 | T | 90.9 | Very high | 89.3 | Confident | 75 Ų | 75 | 89.5 Ų | 89.5 | 46% | 0.46 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 179.1 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | K73 Q74 W75 Q81 | K73-T77 PolarHBondContact O-N 2.88Å; K73-T77 PolarHBondContact O-OG1 3.33Å; Q74-T77 PolarHBondContact O-N 2.9Å; W75-T77 VanDerWaalsContact C-N 3.3Å; W75-T77 PolarHBondContact O-N 3.38Å; T77-Q81 VanDerWaalsContact O-CG 3.29Å; T77-Q81 WeakPolarHBondContact O-CG 3.32Å; T77-Q81 PolarHBondContact O-N 3.36Å |
| 78 | A | 88.8 | Confident | 88.3 | Confident | 22 Ų | 22 | 84 Ų | 84 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q74 W75 C76 Q81 G82 K83 P85 | Q74-A78 WeakPolarHBondContact O-CB 3.28Å; Q74-A78 PolarHBondContact O-N 3.29Å; W75-A78 PolarHBondContact O-N 3.4Å; C76-A78 VanDerWaalsContact C-N 3.32Å; C76-A78 PolarHBondContact O-N 3.22Å; A78-Q81 CarbonylContact O-C 3.51Å; A78-Q81 WeakPolarHBondContact O-CA 3.41Å; A78-Q81 WeakPolarHBondContact O-CB 3.34Å; A78-Q81 PolarHBondContact O-N 2.96Å; A78-Q81 VanDerWaalsContact O-N 3.1Å; A78-G82 PolarHBondContact O-N 3.01Å; A78-K83 CarbonylContact C-O 3.13Å; A78-K83 PolarHBondContact O-N 3.1Å; A78-P85 HydrophobicContact CB-CG 3.82Å |
| 79 | M | 89.5 | Confident | 87.3 | Confident | 87 Ų | 87 | 86.4 Ų | 86.4 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.8 | -72.8 | -170.8 | -62.1 | 0 | 0 | 111.8 | W75 C76 Q81 G82 K83 I88 | W75-M79 WeakPolarHBondContact O-CB 3.5Å; W75-M79 WeakPolarHBondContact O-CG 3.5Å; W75-M79 PolarHBondContact O-N 3.4Å; C76-M79 PolarHBondContact O-N 3.13Å; M79-Q81 PolarHBondContact O-N 2.88Å; M79-G82 WeakPolarHBondContact O-CA 3.33Å; M79-G82 PolarHBondContact O-N 2.88Å; M79-K83 WeakPolarHBondContact CA-O 3.43Å; M79-K83 PolarHBondContact N-O 3.47Å; M79-I88 HydrophobicContact CE-CD1 4.19Å; M79-I88 HydrophobicContact CG-CD1 4.31Å; M79-I88 HydrophobicContact SD-CD1 3.8Å |
| 80 | D | 90.3 | Very high | 86.4 | Confident | 142 Ų | 142 | 82.5 Ų | 82.5 | 76% | 0.759 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.7 | -27.3 | 174.6 | -67.4 | -24.1 | 0 | 0 | 0 | 112 | C76 G82 | C76-D80 PolarHBondContact O-N 3.33Å; D80-G82 VanDerWaalsContact C-N 3.27Å |
| 81 | Q | 91.6 | Very high | 85.2 | Confident | 125 Ų | 125 | 84.1 Ų | 84.1 | 58% | 0.584 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 6.6 | 173.3 | -66 | 171.8 | 17.2 | 0 | 0 | 113.4 | T77 A78 M79 K83 | T77-Q81 VanDerWaalsContact O-CG 3.29Å; T77-Q81 WeakPolarHBondContact O-CG 3.32Å; T77-Q81 PolarHBondContact O-N 3.36Å; A78-Q81 CarbonylContact O-C 3.51Å; A78-Q81 WeakPolarHBondContact O-CA 3.41Å; A78-Q81 WeakPolarHBondContact O-CB 3.34Å; A78-Q81 PolarHBondContact O-N 2.96Å; A78-Q81 VanDerWaalsContact O-N 3.1Å; M79-Q81 PolarHBondContact O-N 2.88Å; Q81-K83 VanDerWaalsContact C-N 3.29Å; Q81-K83 PolarHBondContact O-N 2.99Å |
| 82 | G | 84.9 | Confident | 84.3 | Confident | 68 Ų | 68 | 88.2 Ų | 88.2 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 12.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A78 M79 D80 | A78-G82 PolarHBondContact O-N 3.01Å; M79-G82 WeakPolarHBondContact O-CA 3.33Å; M79-G82 PolarHBondContact O-N 2.88Å; D80-G82 VanDerWaalsContact C-N 3.27Å |
| 83 | K | 84.7 | Confident | 83.5 | Confident | 133 Ų | 133 | 87.7 Ų | 87.7 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | trans | -102.4 | 120.6 | 176.5 | -63 | 175.2 | -174.8 | 168 | 0 | 108.9 | A78 M79 Q81 P85 | A78-K83 CarbonylContact C-O 3.13Å; A78-K83 PolarHBondContact O-N 3.1Å; M79-K83 WeakPolarHBondContact CA-O 3.43Å; M79-K83 PolarHBondContact N-O 3.47Å; Q81-K83 VanDerWaalsContact C-N 3.29Å; Q81-K83 PolarHBondContact O-N 2.99Å; K83-P85 VanDerWaalsContact O-CD 3.27Å; K83-P85 WeakPolarHBondContact O-CD 3.48Å | ||
| 84 | I | 81.3 | Confident | 82 | Confident | 125 Ų | 125 | 85.2 Ų | 85.2 | 64% | 0.641 | 48% | 0.479 | S | S | * | . | trans | -84.9 | 114.9 | 172.5 | -59.6 | 172.8 | 0 | 0 | 0 | 107.9 | I88 K89 | I84-I88 HydrophobicContact CG2-CG2 4.33Å; I84-K89 HydrophobicContact CG2-CB 4.42Å | ||
| 85 | P | 82.4 | Confident | 80.4 | Confident | 19 Ų | 19 | 85.4 Ų | 85.4 | 12% | 0.123 | 48% | 0.484 | C | S | . | . | trans | -58.8 | 142.3 | 175.1 | -25.2 | 37.4 | 0 | 0 | 0 | 111.9 | W75 A78 K83 E87 I88 K89 | W75-P85 HydrophobicContact CB-CG 4.28Å; W75-P85 HydrophobicContact CG-CB 4.36Å; W75-P85 HydrophobicContact CG-CG 4.07Å; A78-P85 HydrophobicContact CB-CG 3.82Å; K83-P85 VanDerWaalsContact O-CD 3.27Å; K83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-E87 PolarHBondContact O-N 3.1Å; P85-I88 HydrophobicContact CB-CD1 4.31Å; P85-I88 HydrophobicContact CB-CG1 4.48Å; P85-I88 HydrophobicContact CG-CD1 3.94Å; P85-I88 PolarHBondContact O-N 3.4Å; P85-I88 VanDerWaalsContact O-N 3.16Å; P85-K89 PolarHBondContact O-N 2.81Å | ||
| 86 | S | 75.9 | Confident | 78.3 | Confident | 83 Ų | 83 | 92.3 Ų | 92.3 | 58% | 0.58 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -55.9 | -34.5 | -178.6 | 28.4 | 0 | 0 | 0 | 0 | 113.3 | K89 A90 | S86-K89 WeakPolarHBondContact O-CB 3.37Å; S86-K89 PolarHBondContact O-N 3.11Å; S86-A90 PolarHBondContact O-N 2.94Å |
| 87 | E | 76.4 | Confident | 76.5 | Confident | 99 Ų | 99 | 97.6 Ų | 97.6 | 46% | 0.463 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.3 | -41.5 | -179.2 | -65.9 | 75.1 | -171.7 | 0 | 0 | 111.1 | W75 P85 K89 A90 L91 | W75-E87 HydrophobicContact CH2-CB 3.85Å; W75-E87 HydrophobicContact CZ2-CB 3.25Å; W75-E87 HydrophobicContact CZ2-CG 3.99Å; P85-E87 PolarHBondContact O-N 3.1Å; E87-K89 VanDerWaalsContact C-N 3.29Å; E87-K89 PolarHBondContact O-N 3.26Å; E87-A90 PolarHBondContact O-N 2.71Å; E87-L91 WeakPolarHBondContact O-CG 3.48Å; E87-L91 PolarHBondContact O-N 3.15Å |
| 88 | I | 76.3 | Confident | 74.1 | Confident | 22 Ų | 22 | 101.1 Ų | 101.1 | 11% | 0.113 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 171.7 | -69.7 | 170.4 | 0 | 0 | 0 | 109.8 | W75 M79 I84 P85 L91 L92 | W75-I88 HydrophobicContact CB-CD1 3.66Å; W75-I88 HydrophobicContact CD2-CD1 3.62Å; W75-I88 HydrophobicContact CD2-CG1 3.62Å; W75-I88 HydrophobicContact CE3-CD1 3.47Å; W75-I88 VanDerWaalsContact CE3-CD1 3.47Å; W75-I88 HydrophobicContact CE3-CG1 3.24Å; W75-I88 HydrophobicContact CG-CD1 3.73Å; W75-I88 HydrophobicContact CG-CG1 4.23Å; W75-I88 HydrophobicContact CH2-CG1 4.22Å; W75-I88 HydrophobicContact CZ3-CD1 4.3Å; W75-I88 HydrophobicContact CZ3-CG1 3.56Å; M79-I88 HydrophobicContact CE-CD1 4.19Å; M79-I88 HydrophobicContact CG-CD1 4.31Å; M79-I88 HydrophobicContact SD-CD1 3.8Å; I84-I88 HydrophobicContact CG2-CG2 4.33Å; P85-I88 HydrophobicContact CB-CD1 4.31Å; P85-I88 HydrophobicContact CB-CG1 4.48Å; P85-I88 HydrophobicContact CG-CD1 3.94Å; P85-I88 PolarHBondContact O-N 3.4Å; P85-I88 VanDerWaalsContact O-N 3.16Å; I88-L91 PolarHBondContact O-N 3.34Å; I88-L92 HydrophobicContact CG2-CD1 3.84Å; I88-L92 WeakPolarHBondContact O-CB 3.39Å; I88-L92 WeakPolarHBondContact O-CD1 3.43Å; I88-L92 PolarHBondContact O-N 2.95Å |
| 89 | K | 74.3 | Confident | 72 | Confident | 137 Ų | 137 | 105 Ų | 105 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62 | -44.3 | 176.3 | -163.5 | 177.9 | -178.7 | -177.7 | 0 | 110.9 | I84 P85 S86 E87 L92 T93 | I84-K89 HydrophobicContact CG2-CB 4.42Å; P85-K89 PolarHBondContact O-N 2.81Å; S86-K89 WeakPolarHBondContact O-CB 3.37Å; S86-K89 PolarHBondContact O-N 3.11Å; E87-K89 VanDerWaalsContact C-N 3.29Å; E87-K89 PolarHBondContact O-N 3.26Å; K89-L92 PolarHBondContact O-N 3.37Å; K89-T93 WeakPolarHBondContact O-CB 3.37Å; K89-T93 PolarHBondContact O-N 3.31Å; K89-T93 PolarHBondContact O-OG1 3.25Å |
| 90 | A | 77.1 | Confident | 69.8 | Low | 26 Ų | 26 | 107.1 Ų | 107.1 | 22% | 0.215 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -61.4 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S86 E87 L92 T93 G94 D95 | S86-A90 PolarHBondContact O-N 2.94Å; E87-A90 PolarHBondContact O-N 2.71Å; A90-L92 PolarHBondContact O-N 2.96Å; A90-T93 PolarHBondContact O-N 3.47Å; A90-G94 PolarHBondContact O-N 3.43Å; A90-D95 PolarHBondContact O-N 2.97Å |
| 91 | L | 72.5 | Confident | 67.6 | Low | 115 Ų | 115 | 107 Ų | 107 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.1 | -39.7 | 175.5 | -72.4 | 171.4 | 0 | 0 | 0 | 112.9 | W75 E87 I88 | W75-L91 HydrophobicContact CH2-CD1 3.85Å; W75-L91 HydrophobicContact CZ3-CD1 3.95Å; E87-L91 WeakPolarHBondContact O-CG 3.48Å; E87-L91 PolarHBondContact O-N 3.15Å; I88-L91 PolarHBondContact O-N 3.34Å |
| 92 | L | 72.7 | Confident | 65.2 | Low | 147 Ų | 147 | 106.9 Ų | 106.9 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.4 | -29.5 | 176.8 | -100.8 | 76 | 0 | 0 | 0 | 113.2 | I88 K89 A90 | I88-L92 HydrophobicContact CG2-CD1 3.84Å; I88-L92 WeakPolarHBondContact O-CB 3.39Å; I88-L92 WeakPolarHBondContact O-CD1 3.43Å; I88-L92 PolarHBondContact O-N 2.95Å; K89-L92 PolarHBondContact O-N 3.37Å; A90-L92 PolarHBondContact O-N 2.96Å |
| 93 | T | 77.3 | Confident | 63.1 | Low | 96 Ų | 96 | 109.1 Ų | 109.1 | 59% | 0.589 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -92.8 | -6.5 | -175.5 | -31.5 | 0 | 0 | 0 | 0 | 112.4 | K89 A90 D95 | K89-T93 WeakPolarHBondContact O-CB 3.37Å; K89-T93 PolarHBondContact O-N 3.31Å; K89-T93 PolarHBondContact O-OG1 3.25Å; A90-T93 PolarHBondContact O-N 3.47Å; T93-D95 VanDerWaalsContact C-N 3.29Å; T93-D95 PolarHBondContact O-N 3.48Å |
| 94 | G | 62.8 | Low | 60.9 | Low | 57 Ų | 57 | 107.7 Ų | 107.7 | 59% | 0.588 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.6 | 13.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A90 E96 | A90-G94 PolarHBondContact O-N 3.43Å; G94-E96 PolarHBondContact O-N 2.9Å; G94-E96 VanDerWaalsContact O-N 3.1Å |
| 95 | D | 56.8 | Low | 58.8 | Low | 117 Ų | 117 | 108.1 Ų | 108.1 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | trans | -79.3 | 90.8 | 172.2 | -88.9 | -40 | 0 | 0 | 0 | 109 | A90 T93 Q97 | A90-D95 PolarHBondContact O-N 2.97Å; T93-D95 VanDerWaalsContact C-N 3.29Å; T93-D95 PolarHBondContact O-N 3.48Å; D95-Q97 VanDerWaalsContact C-N 3.33Å; D95-Q97 PolarHBondContact O-N 3.06Å | ||
| 96 | E | 47.2 | Very low | 56.9 | Low | 179 Ų | 179 | 116.8 Ų | 116.8 | 84% | 0.836 | 65% | 0.652 | S | S | * | * | trans | -62.7 | 83.7 | 174.3 | -71.7 | -84.4 | 109.4 | 0 | 0 | 111.1 | G94 K98 | G94-E96 PolarHBondContact O-N 2.9Å; G94-E96 VanDerWaalsContact O-N 3.1Å; E96-K98 PolarHBondContact O-N 3.32Å | ||
| 97 | Q | 51.9 | Low | 55.1 | Low | 176 Ų | 176 | 118.2 Ų | 118.2 | 82% | 0.822 | 66% | 0.662 | S | S | * | * | trans | -83.5 | 97.4 | 164.4 | -82.9 | -171.3 | -53.4 | 0 | 0 | 110.2 | D95 | D95-Q97 VanDerWaalsContact C-N 3.33Å; D95-Q97 PolarHBondContact O-N 3.06Å | ||
| 98 | K | 42 | Very low | 53.3 | Low | 149 Ų | 149 | 119.5 Ų | 119.5 | 65% | 0.648 | 68% | 0.682 | S | S | * | * | trans | -41.4 | 130.1 | 166.9 | -175.5 | 177.7 | 178.4 | -177.3 | 0 | 110.9 | E96 | E96-K98 PolarHBondContact O-N 3.32Š| ||
| 99 | P | 44.7 | Very low | 51.8 | Low | 102 Ų | 102 | 128.1 Ų | 128.1 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | trans | -59.7 | 148.2 | 178.5 | 24.8 | -33.8 | 0 | 0 | 0 | 110.6 | Q101 | P99-Q101 PolarHBondContact O-N 3.17Š| ||
| 100 | P | 42.4 | Very low | 50 | Low | 132 Ų | 132 | 129.2 Ų | 129.2 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | trans | -62.6 | 104.5 | -178.8 | 24.5 | -32.2 | 0 | 0 | 0 | 110 | S102 | P100-S102 PolarHBondContact O-N 3.23Å; P100-S102 VanDerWaalsContact O-N 3.12Å | ||
| 101 | Q | 43.8 | Very low | 48.5 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | trans | -61.8 | 112.2 | 166.3 | -69.4 | -169.2 | -88.7 | 0 | 0 | 108 | P99 S103 | P99-Q101 PolarHBondContact O-N 3.17Å; Q101-S103 PolarHBondContact O-N 2.69Å | ||
| 102 | S | 41.2 | Very low | 47.1 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -59.3 | 103.7 | 166.7 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | P100 | P100-S102 PolarHBondContact O-N 3.23Å; P100-S102 VanDerWaalsContact O-N 3.12Å | ||
| 103 | S | 40.5 | Very low | 46 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -104.1 | 110.3 | 175.3 | 49.1 | 0 | 0 | 0 | 0 | 109.4 | Q101 | Q101-S103 PolarHBondContact O-N 2.69Š| ||
| 104 | S | 39.7 | Very low | 44.4 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -163.1 | 118.8 | 163 | 54.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 105 | T | 37 | Very low | 43.5 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | cis | -166.6 | 134.8 | 11.6 | 24.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 106 | K | 43.3 | Very low | 42.8 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | 38.9 | 120.1 | 136.7 | -138.4 | 169.1 | -176 | 176 | 0 | 120.4 | ||||
| 107 | S | 37.2 | Very low | 42.5 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | trans | -52.2 | 139.8 | 162.1 | 35.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 108 | S | 38.8 | Very low | 42 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -120.1 | 112.7 | 153.6 | -80.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 109 | K | 45 | Very low | 42 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | trans | -53 | 137.6 | 161.2 | -91.4 | 165.7 | 166.5 | 168.6 | 0 | 108.8 | ||||
| 110 | N | 37.2 | Very low | 41.8 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | trans | -142.7 | 129.5 | 131.5 | -145.8 | 29.1 | 0 | 0 | 0 | 111.7 | ||||
| 111 | S | 45.2 | Very low | 41.7 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 65% | 0.65 | 85% | 0.848 | S | S | * | * | trans | -71.9 | 150.2 | -178.6 | 42.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 112 | N | 43.5 | Very low | 41.6 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 86% | 0.863 | S | S | * | * | trans | -16.8 | 137.4 | 152.7 | -110.2 | 10.7 | 0 | 0 | 0 | 116 | ||||
| 113 | Q | 48.5 | Very low | 41.6 | Very low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.874 | 86% | 0.864 | S | S | * | * | trans | -154.3 | 125.7 | 142.2 | -106.1 | 177 | 41 | 0 | 0 | 111 | ||||
| 114 | S | 43.6 | Very low | 41.7 | Very low | 195 Ų | 195 | 152.2 Ų | 152.2 | 100% | 1.364 | 87% | 0.869 | S | S | * | * | trans | 61.5 | 0 | 155.5 | -64.5 | 0 | 0 | 0 | 0 | 121.5 |
Retrieved 114 of 114 residues in 47.3 ms
(Link to these results)