| 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 | 37.5 | Very low | 40.8 | Very low | 228 Ų | 228 | 154 Ų | 154 | 100% | 1.123 | 84% | 0.841 | S | S | * | * | 0 | 125.3 | 0 | -77.4 | 173 | 151.3 | 0 | 0 | 107.3 | |||||
| 2 | K | 41.8 | Very low | 40.5 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | cis | -152.1 | 144.5 | -1.3 | -84.1 | 166.9 | -179.4 | 173.7 | 0 | 106.8 | ||||
| 3 | T | 49.6 | Very low | 40.8 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -79.7 | 162.8 | 172.7 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | C | 37 | Very low | 40.8 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | 169.2 | 115.8 | 135.3 | -89.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 5 | K | 43.9 | Very low | 41.1 | Very low | 207 Ų | 207 | 146 Ų | 146 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | 50.1 | 107.5 | 61.3 | -80.7 | -171.5 | 177.2 | 180 | 0 | 114.6 | |||||
| 6 | S | 40.1 | Very low | 41.1 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | -162 | 121 | 124.8 | -166.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 7 | S | 41.3 | Very low | 41.8 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | -84.2 | 136.4 | 168.1 | 45.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | H | 35 | Very low | 42.2 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -129.3 | 109.2 | 151.2 | -164.9 | -85.4 | 0 | 0 | 0 | 108.2 | ||||
| 9 | L | 44 | Very low | 42.4 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -68.2 | 121.7 | 166.4 | -71.7 | 148.5 | 0 | 0 | 0 | 106.8 | ||||
| 10 | D | 33.3 | Very low | 43 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -115.5 | 102.1 | 155 | -162.5 | 13.3 | 0 | 0 | 0 | 108.3 | ||||
| 11 | S | 45.6 | Very low | 43.6 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 110.1 | 169.4 | 41.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 12 | G | 37 | Very low | 44.6 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | -163 | 77.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E14 | G12-E14 PolarHBondContact O-N 3.36Š| ||
| 13 | L | 43.7 | Very low | 45.4 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | 30.9 | 89.6 | 153.8 | -72.9 | 132.3 | 0 | 0 | 0 | 115.8 | S15 | L13-S15 PolarHBondContact O-N 2.91Š| ||
| 14 | E | 42.1 | Very low | 45.6 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -63.1 | 90.4 | 143.9 | -83.7 | -152.9 | 126.7 | 0 | 0 | 107.1 | G12 D16 | G12-E14 PolarHBondContact O-N 3.36Å; E14-D16 PolarHBondContact O-N 3.41Å | ||
| 15 | S | 45.1 | Very low | 46.4 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 62% | 0.622 | 72% | 0.722 | S | S | * | * | trans | -71.1 | 86.4 | 156.7 | 52 | 0 | 0 | 0 | 0 | 106.5 | L13 L17 | L13-S15 PolarHBondContact O-N 2.91Å; S15-L17 PolarHBondContact O-N 3.08Å | ||
| 16 | D | 41.4 | Very low | 47 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | trans | -45.5 | 95.4 | 152.4 | -89.8 | -37.2 | 0 | 0 | 0 | 107.2 | E14 Q18 | E14-D16 PolarHBondContact O-N 3.41Å; D16-Q18 PolarHBondContact O-N 3Å | ||
| 17 | L | 52.4 | Low | 47.9 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | trans | -71.4 | 68.7 | 163.5 | -77.3 | 162.9 | 0 | 0 | 0 | 106.6 | S15 C19 | S15-L17 PolarHBondContact O-N 3.08Å; L17-C19 VanDerWaalsContact C-N 3.26Å; L17-C19 PolarHBondContact O-N 3.31Å | ||
| 18 | Q | 48.3 | Very low | 48.7 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | trans | -58.2 | 97.8 | 161.8 | -167.4 | 93.4 | 35.6 | 0 | 0 | 105.6 | D16 R20 | D16-Q18 PolarHBondContact O-N 3Å; Q18-R20 PolarHBondContact O-N 2.89Å | ||
| 19 | C | 46.2 | Very low | 50 | Low | 83 Ų | 83 | 116 Ų | 116 | 56% | 0.561 | 67% | 0.67 | S | S | * | * | trans | -64.3 | 89.2 | 176 | -148.7 | 0 | 0 | 0 | 0 | 107.3 | L17 S21 C25 | L17-C19 VanDerWaalsContact C-N 3.26Å; L17-C19 PolarHBondContact O-N 3.31Å; C19-S21 VanDerWaalsContact C-N 3.29Å; C19-S21 PolarHBondContact O-N 3.47Å; C19-C25 PolarHBondContact SG-SG 3.14Å | ||
| 20 | R | 54.7 | Low | 51.1 | Low | 227 Ų | 227 | 110.1 Ų | 110.1 | 86% | 0.857 | 65% | 0.647 | S | S | * | * | trans | -68.8 | 94.3 | 171 | -79.8 | -170.5 | 168.7 | -123.8 | 0.2 | 106.7 | Q18 G22 | Q18-R20 PolarHBondContact O-N 2.89Å; R20-G22 VanDerWaalsContact C-N 3.29Å; R20-G22 PolarHBondContact O-N 3.03Å | ||
| 21 | S | 55.1 | Low | 53 | Low | 101 Ų | 101 | 106.6 Ų | 106.6 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -57.8 | 84.9 | 178 | -56.8 | 0 | 0 | 0 | 0 | 111.5 | C19 | C19-S21 VanDerWaalsContact C-N 3.29Å; C19-S21 PolarHBondContact O-N 3.47Å | ||
| 22 | G | 58.6 | Low | 54.5 | Low | 34 Ų | 34 | 105.7 Ų | 105.7 | 35% | 0.351 | 62% | 0.617 | S | S | . | * | trans | -80.7 | 152.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110 | R20 G24 C25 | R20-G22 VanDerWaalsContact C-N 3.29Å; R20-G22 PolarHBondContact O-N 3.03Å; G22-G24 PolarHBondContact O-N 3.27Å; G22-C25 WeakPolarHBondContact O-CB 3.28Å; G22-C25 PolarHBondContact O-N 2.97Å | ||
| 23 | P | 58.6 | Low | 56.7 | Low | 133 Ų | 133 | 111.2 Ų | 111.2 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -13.5 | -174.8 | 18 | -28.6 | 0 | 0 | 0 | 115.2 | ||
| 24 | G | 54.6 | Low | 58.6 | Low | 64 Ų | 64 | 110.2 Ų | 110.2 | 66% | 0.66 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -13.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | G22 | G22-G24 PolarHBondContact O-N 3.27Š|
| 25 | C | 52.6 | Low | 60.9 | Low | 43 Ų | 43 | 106.4 Ų | 106.4 | 29% | 0.291 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -81.1 | -26.5 | -175.5 | 178.7 | 0 | 0 | 0 | 0 | 113.3 | C19 G22 V27 C29 | C19-C25 PolarHBondContact SG-SG 3.14Å; G22-C25 WeakPolarHBondContact O-CB 3.28Å; G22-C25 PolarHBondContact O-N 2.97Å; C25-V27 VanDerWaalsContact C-N 3.33Å; C25-V27 PolarHBondContact O-N 3.06Å; C25-C29 WeakPolarHBondContact O-CB 3.23Å; C25-C29 PolarHBondContact O-N 3.13Å |
| 26 | V | 57 | Low | 63.1 | Low | 102 Ų | 102 | 106.3 Ų | 106.3 | 62% | 0.618 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.1 | -37.5 | -172 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | G30 | V26-G30 PolarHBondContact O-N 3.16Å; V26-G30 VanDerWaalsContact O-N 3.13Å |
| 27 | V | 59.8 | Low | 65.6 | Low | 117 Ų | 117 | 102.5 Ų | 102.5 | 71% | 0.709 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.8 | -41.5 | -176.1 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | C25 S31 | C25-V27 VanDerWaalsContact C-N 3.33Å; C25-V27 PolarHBondContact O-N 3.06Å; V27-S31 PolarHBondContact O-N 3.08Å |
| 28 | K | 58.5 | Low | 67.6 | Low | 147 Ų | 147 | 96 Ų | 96 | 64% | 0.639 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.4 | -43.4 | -178.9 | -164.2 | 175.3 | 179.4 | -178.7 | 0 | 112 | G30 S31 E32 | K28-G30 VanDerWaalsContact C-N 3.31Å; K28-G30 PolarHBondContact O-N 3.44Å; K28-S31 PolarHBondContact O-N 3.22Å; K28-E32 PolarHBondContact O-N 3.2Å; K28-E32 VanDerWaalsContact O-N 3.13Å |
| 29 | C | 61.1 | Low | 69.9 | Low | 35 Ų | 35 | 93.9 Ų | 93.9 | 24% | 0.236 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -65.7 | -33.4 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 112.2 | C25 R33 | C25-C29 WeakPolarHBondContact O-CB 3.23Å; C25-C29 PolarHBondContact O-N 3.13Å; C29-R33 VanDerWaalsContact O-CB 3.32Å; C29-R33 WeakPolarHBondContact O-CB 3.4Å; C29-R33 WeakPolarHBondContact O-CD 3.49Å; C29-R33 WeakPolarHBondContact O-CG 3.07Å; C29-R33 PolarHBondContact O-N 3.3Å; C29-R33 VanDerWaalsContact O-N 3.08Å; C29-R33 PolarHBondContact SG-NE 3.35Å |
| 30 | G | 67.3 | Low | 72.3 | Confident | 31 Ų | 31 | 99.2 Ų | 99.2 | 32% | 0.32 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | V26 K28 R33 M34 | V26-G30 PolarHBondContact O-N 3.16Å; V26-G30 VanDerWaalsContact O-N 3.13Å; K28-G30 VanDerWaalsContact C-N 3.31Å; K28-G30 PolarHBondContact O-N 3.44Å; G30-R33 PolarHBondContact O-N 2.91Å; G30-M34 WeakPolarHBondContact O-CB 3.39Å; G30-M34 WeakPolarHBondContact O-CG 3.32Å; G30-M34 PolarHBondContact O-N 2.93Å |
| 31 | S | 73.4 | Confident | 74.3 | Confident | 71 Ų | 71 | 95.6 Ų | 95.6 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 179.4 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | V27 K28 R33 M34 E35 | V27-S31 PolarHBondContact O-N 3.08Å; K28-S31 PolarHBondContact O-N 3.22Å; S31-R33 PolarHBondContact O-N 3.22Å; S31-M34 PolarHBondContact O-N 3.09Å; S31-E35 PolarHBondContact O-N 3.36Å |
| 32 | E | 78.1 | Confident | 76.3 | Confident | 94 Ų | 94 | 96 Ų | 96 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 178 | -70 | 172.1 | -176 | 0 | 0 | 112 | K28 E35 N36 | K28-E32 PolarHBondContact O-N 3.2Å; K28-E32 VanDerWaalsContact O-N 3.13Å; E32-E35 PolarHBondContact O-N 3.25Å; E32-N36 WeakPolarHBondContact O-CB 3.44Å; E32-N36 VanDerWaalsContact O-CG 3.23Å; E32-N36 PolarHBondContact O-N 3.4Å; E32-N36 PolarHBondContact O-ND2 3.41Å |
| 33 | R | 81.3 | Confident | 78.2 | Confident | 179 Ų | 179 | 96.6 Ų | 96.6 | 68% | 0.675 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 173.2 | -75.2 | 174.7 | -175 | -164.2 | 2.7 | 111.7 | C29 G30 S31 A37 | C29-R33 VanDerWaalsContact O-CB 3.32Å; C29-R33 WeakPolarHBondContact O-CB 3.4Å; C29-R33 WeakPolarHBondContact O-CD 3.49Å; C29-R33 WeakPolarHBondContact O-CG 3.07Å; C29-R33 PolarHBondContact O-N 3.3Å; C29-R33 VanDerWaalsContact O-N 3.08Å; C29-R33 PolarHBondContact SG-NE 3.35Å; G30-R33 PolarHBondContact O-N 2.91Å; S31-R33 PolarHBondContact O-N 3.22Å; R33-A37 WeakPolarHBondContact O-CB 3.35Å; R33-A37 PolarHBondContact O-N 3.09Å |
| 34 | M | 85.1 | Confident | 80.1 | Confident | 141 Ų | 141 | 92 Ų | 92 | 70% | 0.695 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 175.9 | -74.2 | -150.3 | -65.1 | 0 | 0 | 112.3 | G30 S31 A37 A38 | G30-M34 WeakPolarHBondContact O-CB 3.39Å; G30-M34 WeakPolarHBondContact O-CG 3.32Å; G30-M34 PolarHBondContact O-N 2.93Å; S31-M34 PolarHBondContact O-N 3.09Å; M34-A37 PolarHBondContact O-N 3Å; M34-A38 WeakPolarHBondContact O-CB 3.43Å; M34-A38 PolarHBondContact O-N 2.94Å |
| 35 | E | 89.6 | Confident | 82.2 | Confident | 101 Ų | 101 | 92.8 Ų | 92.8 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 175.6 | -167.7 | -169.1 | 151.2 | 0 | 0 | 111.3 | S31 E32 A37 A38 K39 | S31-E35 PolarHBondContact O-N 3.36Å; E32-E35 PolarHBondContact O-N 3.25Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 2.87Å; E35-A38 WeakPolarHBondContact O-CB 3.38Å; E35-A38 PolarHBondContact O-N 3.5Å; E35-A38 VanDerWaalsContact O-N 3.16Å; E35-K39 WeakPolarHBondContact O-CG 3.16Å; E35-K39 PolarHBondContact O-N 3.07Å; E35-K39 WeakPolarHBondContact OE1-CE 3.35Å; E35-K39 IonicContact OE1-NZ 2.83Å; E35-K39 PolarHBondContact OE1-NZ 3.16Å |
| 36 | N | 91.4 | Very high | 84.4 | Confident | 88 Ų | 88 | 92.5 Ų | 92.5 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 176.3 | -73.2 | -26.3 | 0 | 0 | 0 | 112.2 | E32 K39 R40 | E32-N36 WeakPolarHBondContact O-CB 3.44Å; E32-N36 VanDerWaalsContact O-CG 3.23Å; E32-N36 PolarHBondContact O-N 3.4Å; E32-N36 PolarHBondContact O-ND2 3.41Å; N36-K39 PolarHBondContact O-N 3.34Å; N36-R40 VanDerWaalsContact O-CG 3.29Å; N36-R40 WeakPolarHBondContact O-CG 3.38Å; N36-R40 PolarHBondContact O-N 3.11Å |
| 37 | A | 93.8 | Very high | 86.3 | Confident | 44 Ų | 44 | 94.1 Ų | 94.1 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R33 M34 E35 R40 R41 | R33-A37 WeakPolarHBondContact O-CB 3.35Å; R33-A37 PolarHBondContact O-N 3.09Å; M34-A37 PolarHBondContact O-N 3Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 2.87Å; A37-R40 PolarHBondContact O-N 2.99Å; A37-R41 WeakPolarHBondContact O-CB 3.25Å; A37-R41 PolarHBondContact O-N 3.39Å |
| 38 | A | 94.8 | Very high | 88.2 | Confident | 29 Ų | 29 | 92.4 Ų | 92.4 | 24% | 0.24 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | M34 E35 R40 R41 L42 | M34-A38 WeakPolarHBondContact O-CB 3.43Å; M34-A38 PolarHBondContact O-N 2.94Å; E35-A38 WeakPolarHBondContact O-CB 3.38Å; E35-A38 PolarHBondContact O-N 3.5Å; E35-A38 VanDerWaalsContact O-N 3.16Å; A38-R40 PolarHBondContact O-N 3.33Å; A38-R41 PolarHBondContact O-N 3.46Å; A38-L42 WeakPolarHBondContact O-CG 3.48Å; A38-L42 PolarHBondContact O-N 3.48Å |
| 39 | K | 95.6 | Very high | 90.1 | Very high | 108 Ų | 108 | 92.9 Ų | 92.9 | 47% | 0.47 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58 | -45.5 | 174.8 | -72.5 | 173.9 | -177.1 | 165.9 | 0 | 111.9 | E35 N36 R41 L42 A43 | E35-K39 WeakPolarHBondContact O-CG 3.16Å; E35-K39 PolarHBondContact O-N 3.07Å; E35-K39 WeakPolarHBondContact OE1-CE 3.35Å; E35-K39 IonicContact OE1-NZ 2.83Å; E35-K39 PolarHBondContact OE1-NZ 3.16Å; N36-K39 PolarHBondContact O-N 3.34Å; K39-R41 PolarHBondContact O-N 2.93Å; K39-L42 PolarHBondContact O-N 3.42Å; K39-A43 WeakPolarHBondContact O-CB 3.41Å; K39-A43 PolarHBondContact O-N 2.88Å |
| 40 | R | 96.7 | Very high | 91.9 | Very high | 194 Ų | 194 | 99.2 Ų | 99.2 | 73% | 0.732 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61 | -43.1 | 176.1 | -73.3 | 171.3 | 65.8 | -155.9 | 0.6 | 112.1 | N36 A37 A38 A43 A44 | N36-R40 VanDerWaalsContact O-CG 3.29Å; N36-R40 WeakPolarHBondContact O-CG 3.38Å; N36-R40 PolarHBondContact O-N 3.11Å; A37-R40 PolarHBondContact O-N 2.99Å; A38-R40 PolarHBondContact O-N 3.33Å; R40-A43 PolarHBondContact O-N 3.35Å; R40-A44 WeakPolarHBondContact O-CB 3.32Å; R40-A44 PolarHBondContact O-N 2.99Å |
| 41 | R | 97.6 | Very high | 93.4 | Very high | 152 Ų | 152 | 105.2 Ų | 105.2 | 57% | 0.574 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 176.7 | -176 | 171.4 | 62.1 | -118.8 | 0.8 | 111.6 | A37 A38 K39 A43 A44 N45 | A37-R41 WeakPolarHBondContact O-CB 3.25Å; A37-R41 PolarHBondContact O-N 3.39Å; A38-R41 PolarHBondContact O-N 3.46Å; K39-R41 PolarHBondContact O-N 2.93Å; R41-A43 PolarHBondContact O-N 3.21Å; R41-A44 PolarHBondContact O-N 3.42Å; R41-N45 PolarHBondContact O-N 3.29Å |
| 42 | L | 97.7 | Very high | 94.6 | Very high | 110 Ų | 110 | 104.7 Ų | 104.7 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.8 | -45.4 | 175.7 | -72 | 171.3 | 0 | 0 | 0 | 111.7 | A38 K39 A44 N45 A46 | A38-L42 WeakPolarHBondContact O-CG 3.48Å; A38-L42 PolarHBondContact O-N 3.48Å; K39-L42 PolarHBondContact O-N 3.42Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3Å; L42-N45 PolarHBondContact O-N 3.46Å; L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.39Å |
| 43 | A | 97.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 106 Ų | 106 | 37% | 0.372 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | K39 R40 R41 A46 R47 | K39-A43 WeakPolarHBondContact O-CB 3.41Å; K39-A43 PolarHBondContact O-N 2.88Å; R40-A43 PolarHBondContact O-N 3.35Å; R41-A43 PolarHBondContact O-N 3.21Å; A43-A46 PolarHBondContact O-N 2.95Å; A43-R47 WeakPolarHBondContact O-CG 3.49Å; A43-R47 PolarHBondContact O-N 3.37Å; A43-R47 VanDerWaalsContact O-N 3.08Å; A43-R47 PolarHBondContact O-NH1 3.48Å |
| 44 | A | 98.1 | Very high | 96.3 | Very high | 37 Ų | 37 | 99.5 Ų | 99.5 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R40 R41 L42 A46 R47 E48 | R40-A44 WeakPolarHBondContact O-CB 3.32Å; R40-A44 PolarHBondContact O-N 2.99Å; R41-A44 PolarHBondContact O-N 3.42Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 3Å; A44-A46 VanDerWaalsContact C-N 3.3Å; A44-A46 PolarHBondContact O-N 2.98Å; A44-R47 WeakPolarHBondContact O-CB 3.41Å; A44-R47 PolarHBondContact O-N 3.44Å; A44-R47 VanDerWaalsContact O-N 3.11Å; A44-E48 PolarHBondContact O-N 3.11Å |
| 45 | N | 98.6 | Very high | 97 | Very high | 81 Ų | 81 | 96 Ų | 96 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 176.9 | -71.4 | -11 | 0 | 0 | 0 | 112 | R41 L42 R47 E48 R49 | R41-N45 PolarHBondContact O-N 3.29Å; L42-N45 PolarHBondContact O-N 3.46Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 PolarHBondContact O-N 3.03Å; N45-E48 PolarHBondContact O-N 3.48Å; N45-R49 WeakPolarHBondContact O-CG 3.39Å; N45-R49 PolarHBondContact O-N 2.97Å |
| 46 | A | 98.5 | Very high | 97.4 | Very high | 36 Ų | 36 | 94 Ų | 94 | 30% | 0.298 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L42 A43 A44 R50 | L42-A46 WeakPolarHBondContact O-CB 3.37Å; L42-A46 PolarHBondContact O-N 3.39Å; A43-A46 PolarHBondContact O-N 2.95Å; A44-A46 VanDerWaalsContact C-N 3.3Å; A44-A46 PolarHBondContact O-N 2.98Å; A46-R50 PolarHBondContact O-N 2.69Å |
| 47 | R | 98.6 | Very high | 97.7 | Very high | 137 Ų | 137 | 93.2 Ų | 93.2 | 52% | 0.517 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 173.5 | -71.3 | -171.7 | -58.5 | -90.5 | 5.4 | 111.6 | A43 A44 N45 R49 R50 R51 | A43-R47 WeakPolarHBondContact O-CG 3.49Å; A43-R47 PolarHBondContact O-N 3.37Å; A43-R47 VanDerWaalsContact O-N 3.08Å; A43-R47 PolarHBondContact O-NH1 3.48Å; A44-R47 WeakPolarHBondContact O-CB 3.41Å; A44-R47 PolarHBondContact O-N 3.44Å; A44-R47 VanDerWaalsContact O-N 3.11Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 PolarHBondContact O-N 3.03Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-R49 PolarHBondContact O-N 2.94Å; R47-R50 PolarHBondContact O-N 3.2Å; R47-R50 VanDerWaalsContact O-N 3.16Å; R47-R51 PolarHBondContact O-N 3.23Å |
| 48 | E | 98.5 | Very high | 97.9 | Very high | 80 Ų | 80 | 93.9 Ų | 93.9 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.6 | -36.7 | -179.9 | -176.6 | 56.4 | -163.3 | 0 | 0 | 112.1 | A44 N45 R50 R51 M52 | A44-E48 PolarHBondContact O-N 3.11Å; N45-E48 PolarHBondContact O-N 3.48Å; E48-R50 VanDerWaalsContact C-N 3.34Å; E48-R50 PolarHBondContact O-N 3.22Å; E48-R51 VanDerWaalsContact CD-NE 3.34Å; E48-R51 WeakPolarHBondContact O-CB 3.2Å; E48-R51 PolarHBondContact O-N 3.07Å; E48-R51 IonicContact OE1-CZ 3.84Å; E48-R51 IonicContact OE1-NE 3.87Å; E48-R51 PolarHBondContact OE1-NE 2.98Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 PolarHBondContact OE1-NH2 3.23Å; E48-R51 WeakPolarHBondContact OE2-CD 3.46Å; E48-R51 IonicContact OE2-CZ 2.71Å; E48-R51 IonicContact OE2-NE 3.38Å; E48-R51 PolarHBondContact OE2-NE 3.32Å; E48-R51 IonicContact OE2-NH2 2.75Å; E48-M52 WeakPolarHBondContact O-CB 3.28Å; E48-M52 PolarHBondContact O-N 3.3Å; E48-M52 WeakPolarHBondContact OE1-CE 3.33Å |
| 49 | R | 98.7 | Very high | 98.1 | Very high | 157 Ų | 157 | 94.1 Ų | 94.1 | 59% | 0.592 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -57.9 | -45 | 171.9 | -79.3 | -169.4 | -73.7 | -121.5 | 3.4 | 112.2 | N45 R47 M52 Q53 | N45-R49 WeakPolarHBondContact O-CG 3.39Å; N45-R49 PolarHBondContact O-N 2.97Å; R47-R49 VanDerWaalsContact C-N 3.32Å; R47-R49 PolarHBondContact O-N 2.94Å; R49-M52 PolarHBondContact O-N 3.41Å; R49-Q53 WeakPolarHBondContact O-CB 3.24Å; R49-Q53 VanDerWaalsContact O-CG 3.29Å; R49-Q53 WeakPolarHBondContact O-CG 3.48Å; R49-Q53 PolarHBondContact O-N 3.02Å |
| 50 | R | 98.4 | Very high | 98.1 | Very high | 168 Ų | 168 | 91.7 Ų | 91.7 | 63% | 0.634 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 176.1 | -75.8 | -173.9 | -76.5 | 159.2 | -9.5 | 112 | A46 R47 E48 M52 Q53 G54 | A46-R50 PolarHBondContact O-N 2.69Å; R47-R50 PolarHBondContact O-N 3.2Å; R47-R50 VanDerWaalsContact O-N 3.16Å; E48-R50 VanDerWaalsContact C-N 3.34Å; E48-R50 PolarHBondContact O-N 3.22Å; R50-M52 VanDerWaalsContact C-N 3.33Å; R50-M52 PolarHBondContact O-N 3.08Å; R50-Q53 PolarHBondContact O-N 2.93Å; R50-G54 PolarHBondContact O-N 3.49Å; R50-G54 VanDerWaalsContact O-N 3.15Å |
| 51 | R | 98.6 | Very high | 98.1 | Very high | 157 Ų | 157 | 91 Ų | 91 | 59% | 0.592 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -58.1 | -47.4 | 174.7 | -166.1 | -174 | 81 | 110.5 | 2.1 | 111.1 | R47 E48 G54 L55 | R47-R51 PolarHBondContact O-N 3.23Å; E48-R51 VanDerWaalsContact CD-NE 3.34Å; E48-R51 WeakPolarHBondContact O-CB 3.2Å; E48-R51 PolarHBondContact O-N 3.07Å; E48-R51 IonicContact OE1-CZ 3.84Å; E48-R51 IonicContact OE1-NE 3.87Å; E48-R51 PolarHBondContact OE1-NE 2.98Å; E48-R51 IonicContact OE1-NH2 3.74Å; E48-R51 PolarHBondContact OE1-NH2 3.23Å; E48-R51 WeakPolarHBondContact OE2-CD 3.46Å; E48-R51 IonicContact OE2-CZ 2.71Å; E48-R51 IonicContact OE2-NE 3.38Å; E48-R51 PolarHBondContact OE2-NE 3.32Å; E48-R51 IonicContact OE2-NH2 2.75Å; R51-G54 PolarHBondContact O-N 3.29Å; R51-L55 PolarHBondContact O-N 3Å; R51-L55 VanDerWaalsContact O-N 3.15Å |
| 52 | M | 98.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 86.4 Ų | 86.4 | 30% | 0.296 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.3 | -34.2 | -178.9 | -162.8 | 57.5 | 54.1 | 0 | 0 | 112.9 | E48 R49 R50 G54 L55 N56 | E48-M52 WeakPolarHBondContact O-CB 3.28Å; E48-M52 PolarHBondContact O-N 3.3Å; E48-M52 WeakPolarHBondContact OE1-CE 3.33Å; R49-M52 PolarHBondContact O-N 3.41Å; R50-M52 VanDerWaalsContact C-N 3.33Å; R50-M52 PolarHBondContact O-N 3.08Å; M52-G54 VanDerWaalsContact C-N 3.34Å; M52-L55 PolarHBondContact O-N 3.22Å; M52-L55 HydrophobicContact SD-CB 4.3Å; M52-L55 HydrophobicContact SD-CD1 4.29Å; M52-L55 HydrophobicContact SD-CD2 4.02Å; M52-L55 HydrophobicContact SD-CG 4.45Å; M52-N56 WeakPolarHBondContact O-CB 3.49Å; M52-N56 VanDerWaalsContact O-CG 3.29Å; M52-N56 PolarHBondContact O-N 2.9Å; M52-N56 PolarHBondContact O-ND2 3.48Å |
| 53 | Q | 98.5 | Very high | 98 | Very high | 122 Ų | 122 | 82.2 Ų | 82.2 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -57.8 | -47.1 | 170.8 | -78.2 | 170.9 | -14.4 | 0 | 0 | 110.8 | R49 R50 L55 N56 T57 | R49-Q53 WeakPolarHBondContact O-CB 3.24Å; R49-Q53 VanDerWaalsContact O-CG 3.29Å; R49-Q53 WeakPolarHBondContact O-CG 3.48Å; R49-Q53 PolarHBondContact O-N 3.02Å; R50-Q53 PolarHBondContact O-N 2.93Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 PolarHBondContact O-N 3.42Å; Q53-N56 PolarHBondContact O-N 3.45Å; Q53-T57 PolarHBondContact O-N 3.08Å; Q53-T57 PolarHBondContact O-OG1 3.21Å; Q53-T57 VanDerWaalsContact O-OG1 3.07Å |
| 54 | G | 98.1 | Very high | 97.8 | Very high | 43 Ų | 43 | 88.6 Ų | 88.6 | 44% | 0.443 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R50 R51 M52 T57 A58 | R50-G54 PolarHBondContact O-N 3.49Å; R50-G54 VanDerWaalsContact O-N 3.15Å; R51-G54 PolarHBondContact O-N 3.29Å; M52-G54 VanDerWaalsContact C-N 3.34Å; G54-T57 PolarHBondContact O-N 3.13Å; G54-A58 PolarHBondContact O-N 3.13Å |
| 55 | L | 98.3 | Very high | 97.7 | Very high | 67 Ų | 67 | 91.6 Ų | 91.6 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 174.8 | -177.5 | 151 | 0 | 0 | 0 | 112 | R51 M52 Q53 T57 A58 F59 | R51-L55 PolarHBondContact O-N 3Å; R51-L55 VanDerWaalsContact O-N 3.15Å; M52-L55 PolarHBondContact O-N 3.22Å; M52-L55 HydrophobicContact SD-CB 4.3Å; M52-L55 HydrophobicContact SD-CD1 4.29Å; M52-L55 HydrophobicContact SD-CD2 4.02Å; M52-L55 HydrophobicContact SD-CG 4.45Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 PolarHBondContact O-N 3.42Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-T57 PolarHBondContact O-N 3.07Å; L55-A58 PolarHBondContact O-N 3.09Å; L55-F59 HydrophobicContact CD2-CD2 3.63Å; L55-F59 HydrophobicContact CD2-CE2 3.91Å; L55-F59 HydrophobicContact CG-CD2 4.34Å; L55-F59 PolarHBondContact O-N 3.48Å |
| 56 | N | 98 | Very high | 97.5 | Very high | 59 Ų | 59 | 88.1 Ų | 88.1 | 32% | 0.316 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 179.1 | -70.6 | -23.1 | 0 | 0 | 0 | 111.4 | M52 Q53 A58 F59 D60 K77 | M52-N56 WeakPolarHBondContact O-CB 3.49Å; M52-N56 VanDerWaalsContact O-CG 3.29Å; M52-N56 PolarHBondContact O-N 2.9Å; M52-N56 PolarHBondContact O-ND2 3.48Å; Q53-N56 PolarHBondContact O-N 3.45Å; N56-A58 PolarHBondContact O-N 2.86Å; N56-F59 WeakPolarHBondContact O-CB 3.38Å; N56-F59 PolarHBondContact O-N 3.07Å; N56-D60 PolarHBondContact O-N 3.18Å; N56-K77 WeakPolarHBondContact OD1-CE 3.27Å; N56-K77 PolarHBondContact OD1-NZ 2.89Å |
| 57 | T | 98.2 | Very high | 97.2 | Very high | 72 Ų | 72 | 88.7 Ų | 88.7 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.1 | -42 | 172.5 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | Q53 G54 L55 D60 R61 | Q53-T57 PolarHBondContact O-N 3.08Å; Q53-T57 PolarHBondContact O-OG1 3.21Å; Q53-T57 VanDerWaalsContact O-OG1 3.07Å; G54-T57 PolarHBondContact O-N 3.13Å; L55-T57 VanDerWaalsContact C-N 3.33Å; L55-T57 PolarHBondContact O-N 3.07Å; T57-D60 PolarHBondContact O-N 3.1Å; T57-R61 WeakPolarHBondContact O-CG 3.34Å; T57-R61 PolarHBondContact O-N 3.38Å |
| 58 | A | 98.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 85.9 Ų | 85.9 | 47% | 0.471 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G54 L55 N56 D60 R61 L62 | G54-A58 PolarHBondContact O-N 3.13Å; L55-A58 PolarHBondContact O-N 3.09Å; N56-A58 PolarHBondContact O-N 2.86Å; A58-D60 VanDerWaalsContact C-N 3.31Å; A58-D60 PolarHBondContact O-N 3.32Å; A58-R61 WeakPolarHBondContact O-CB 3.49Å; A58-R61 PolarHBondContact O-N 2.97Å; A58-L62 PolarHBondContact O-N 3.15Å |
| 59 | F | 98 | Very high | 95.2 | Very high | 34 Ų | 34 | 93.3 Ų | 93.3 | 15% | 0.149 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60 | -39.8 | 173.8 | -105.1 | -80.3 | 0 | 0 | 0 | 112.5 | L55 N56 L62 R63 K77 T80 L81 | L55-F59 HydrophobicContact CD2-CD2 3.63Å; L55-F59 HydrophobicContact CD2-CE2 3.91Å; L55-F59 HydrophobicContact CG-CD2 4.34Å; L55-F59 PolarHBondContact O-N 3.48Å; N56-F59 WeakPolarHBondContact O-CB 3.38Å; N56-F59 PolarHBondContact O-N 3.07Å; F59-L62 PolarHBondContact O-N 3.46Å; F59-R63 WeakPolarHBondContact O-CG 3.42Å; F59-R63 PolarHBondContact O-N 3.41Å; F59-K77 HydrophobicContact CD1-CB 4.42Å; F59-K77 HydrophobicContact CD1-CG 4.14Å; F59-K77 HydrophobicContact CE1-CB 3.77Å; F59-K77 HydrophobicContact CE1-CG 3.93Å; F59-K77 WeakPolarHBondContact CE1-O 3.29Å; F59-K77 HydrophobicContact CE2-CD 4.34Å; F59-K77 HydrophobicContact CE2-CG 4.48Å; F59-K77 HydrophobicContact CZ-CB 3.96Å; F59-K77 HydrophobicContact CZ-CD 4.33Å; F59-K77 HydrophobicContact CZ-CG 4.11Å; F59-T80 HydrophobicContact CD1-CG2 4.26Å; F59-L81 HydrophobicContact CE1-CD2 4.18Å; F59-L81 HydrophobicContact CE1-CG 4.06Å; F59-L81 HydrophobicContact CZ-CD1 4.15Å; F59-L81 HydrophobicContact CZ-CD2 4.1Å; F59-L81 HydrophobicContact CZ-CG 4.09Å |
| 60 | D | 96.3 | Very high | 93.8 | Very high | 57 Ų | 57 | 89 Ų | 89 | 31% | 0.305 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.3 | -34.5 | 177.4 | -72 | -18.8 | 0 | 0 | 0 | 112.4 | N56 T57 A58 R63 K64 K74 | N56-D60 PolarHBondContact O-N 3.18Å; T57-D60 PolarHBondContact O-N 3.1Å; A58-D60 VanDerWaalsContact C-N 3.31Å; A58-D60 PolarHBondContact O-N 3.32Å; D60-R63 PolarHBondContact O-N 3.35Å; D60-R63 IonicContact OD1-CZ 3.11Å; D60-R63 IonicContact OD1-NH1 3.21Å; D60-R63 PolarHBondContact OD1-NH1 3.35Å; D60-K64 WeakPolarHBondContact O-CG 3.43Å; D60-K64 PolarHBondContact O-N 3.47Å; D60-K74 VanDerWaalsContact CG-NZ 3.32Å; D60-K74 WeakPolarHBondContact OD1-CE 3.27Å; D60-K74 IonicContact OD1-NZ 3Å; D60-K74 PolarHBondContact OD1-NZ 2.86Å; D60-K74 IonicContact OD2-NZ 2.65Å; D60-K74 PolarHBondContact OD2-NZ 3.23Å |
| 61 | R | 97.1 | Very high | 92.3 | Very high | 180 Ų | 180 | 89.8 Ų | 89.8 | 68% | 0.679 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 170.5 | -69.7 | 175.8 | -177.4 | -163.1 | -0.2 | 111.5 | T57 A58 R63 K64 | T57-R61 WeakPolarHBondContact O-CG 3.34Å; T57-R61 PolarHBondContact O-N 3.38Å; A58-R61 WeakPolarHBondContact O-CB 3.49Å; A58-R61 PolarHBondContact O-N 2.97Å; R61-R63 PolarHBondContact O-N 3.04Å; R61-K64 WeakPolarHBondContact O-CB 3.45Å; R61-K64 PolarHBondContact O-N 3.26Å |
| 62 | L | 97.4 | Very high | 90.9 | Very high | 55 Ų | 55 | 90.3 Ų | 90.3 | 29% | 0.288 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.5 | -179.1 | 59.5 | 0 | 0 | 0 | 111.4 | A58 F59 K64 V65 V66 T80 L81 A84 | A58-L62 PolarHBondContact O-N 3.15Å; F59-L62 PolarHBondContact O-N 3.46Å; L62-K64 PolarHBondContact O-N 3.15Å; L62-K64 VanDerWaalsContact O-N 3.13Å; L62-V65 HydrophobicContact CD1-CG2 4.22Å; L62-V65 WeakPolarHBondContact O-CG2 3.39Å; L62-V65 PolarHBondContact O-N 3.36Å; L62-V65 VanDerWaalsContact O-N 3.08Å; L62-V66 HydrophobicContact CD1-CG2 3.77Å; L62-V66 HydrophobicContact CG-CG2 3.95Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.49Å; L62-V66 PolarHBondContact O-N 3.3Å; L62-V66 VanDerWaalsContact O-N 3.13Å; L62-T80 HydrophobicContact CB-CG2 4.37Å; L62-T80 HydrophobicContact CD2-CG2 3.8Å; L62-T80 HydrophobicContact CG-CG2 3.86Å; L62-L81 HydrophobicContact CD2-CD2 4.39Å; L62-A84 HydrophobicContact CD1-CB 4.05Å; L62-A84 HydrophobicContact CD2-CB 4.21Å; L62-A84 HydrophobicContact CG-CB 4.43Å |
| 63 | R | 95.8 | Very high | 90.2 | Very high | 23 Ų | 23 | 95 Ų | 95 | 9% | 0.087 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -57.2 | -29.6 | 177.5 | -73.6 | -179.7 | -175.8 | 88.5 | 15.6 | 114.2 | F59 D60 R61 V65 Q68 L75 T80 | F59-R63 WeakPolarHBondContact O-CG 3.42Å; F59-R63 PolarHBondContact O-N 3.41Å; D60-R63 PolarHBondContact O-N 3.35Å; D60-R63 IonicContact OD1-CZ 3.11Å; D60-R63 IonicContact OD1-NH1 3.21Å; D60-R63 PolarHBondContact OD1-NH1 3.35Å; R61-R63 PolarHBondContact O-N 3.04Å; R63-V65 VanDerWaalsContact C-N 3.29Å; R63-V65 PolarHBondContact O-N 3.46Å; R63-Q68 PolarHBondContact O-NE2 3.02Å; R63-L75 VanDerWaalsContact CZ-O 3.32Å; R63-L75 PolarHBondContact NE-O 3.3Å; R63-L75 PolarHBondContact NH2-O 2.99Å; R63-T80 HydrophobicContact CG-CG2 3.7Å; R63-T80 PolarHBondContact NE-OG1 2.71Å; R63-T80 PolarHBondContact NH2-OG1 2.75Å |
| 64 | K | 94.2 | Very high | 89.7 | Confident | 179 Ų | 179 | 95.1 Ų | 95.1 | 78% | 0.778 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -70.1 | -25.4 | 179.4 | -69 | 179.1 | 179.5 | -168.8 | 0 | 113.4 | D60 R61 L62 | D60-K64 WeakPolarHBondContact O-CG 3.43Å; D60-K64 PolarHBondContact O-N 3.47Å; R61-K64 WeakPolarHBondContact O-CB 3.45Å; R61-K64 PolarHBondContact O-N 3.26Å; L62-K64 PolarHBondContact O-N 3.15Å; L62-K64 VanDerWaalsContact O-N 3.13Å |
| 65 | V | 95.3 | Very high | 89.4 | Confident | 99 Ų | 99 | 94.5 Ų | 94.5 | 60% | 0.6 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -106.5 | -9.4 | -177.3 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | L62 R63 Y87 | L62-V65 HydrophobicContact CD1-CG2 4.22Å; L62-V65 WeakPolarHBondContact O-CG2 3.39Å; L62-V65 PolarHBondContact O-N 3.36Å; L62-V65 VanDerWaalsContact O-N 3.08Å; R63-V65 VanDerWaalsContact C-N 3.29Å; R63-V65 PolarHBondContact O-N 3.46Å; V65-Y87 WeakPolarHBondContact O-CE1 3.46Å |
| 66 | V | 94.6 | Very high | 89.2 | Confident | 8 Ų | 8 | 93.8 Ų | 93.8 | 5% | 0.048 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -88.3 | 129.2 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 109 | L62 Q68 L75 M83 A84 | L62-V66 HydrophobicContact CD1-CG2 3.77Å; L62-V66 HydrophobicContact CG-CG2 3.95Å; L62-V66 VanDerWaalsContact O-CG2 3.28Å; L62-V66 WeakPolarHBondContact O-CG2 3.49Å; L62-V66 PolarHBondContact O-N 3.3Å; L62-V66 VanDerWaalsContact O-N 3.13Å; V66-Q68 WeakPolarHBondContact O-CG 3.33Å; V66-L75 HydrophobicContact CG1-CD1 4.41Å; V66-M83 HydrophobicContact CG1-CB 3.32Å; V66-M83 HydrophobicContact CG1-CG 4.4Å; V66-A84 HydrophobicContact CG2-CB 3.78Å |
| 67 | P | 92.8 | Very high | 89.2 | Confident | 48 Ų | 48 | 95.3 Ų | 95.3 | 31% | 0.312 | 48% | 0.477 | S | S | . | . | trans | -56.9 | 140.2 | 175.1 | -24.5 | 33.2 | 0 | 0 | 0 | 112.1 | M83 Y87 | P67-M83 VanDerWaalsContact O-CE 3.27Å; P67-M83 WeakPolarHBondContact O-CE 2.96Å; P67-Y87 VanDerWaalsContact CD-CD1 3.47Å; P67-Y87 HydrophobicContact CG-CD1 4.08Å; P67-Y87 HydrophobicContact CG-CD2 3.63Å; P67-Y87 HydrophobicContact CG-CE1 4.11Å; P67-Y87 HydrophobicContact CG-CE2 3.68Å; P67-Y87 HydrophobicContact CG-CG 3.84Å | ||
| 68 | Q | 86.2 | Confident | 89.1 | Confident | 79 Ų | 79 | 99.5 Ų | 99.5 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | trans | -129.1 | 130.4 | 178.8 | -54.3 | -175.1 | 16.6 | 0 | 0 | 109.6 | R63 V66 L75 | R63-Q68 PolarHBondContact O-NE2 3.02Å; V66-Q68 WeakPolarHBondContact O-CG 3.33Å; Q68-L75 HydrophobicContact CG-CD1 3.99Å; Q68-L75 HydrophobicContact CG-CG 4.35Å | ||
| 69 | W | 68.9 | Low | 89 | Confident | 236 Ų | 236 | 100.6 Ų | 100.6 | 89% | 0.894 | 48% | 0.481 | S | S | * | . | trans | -98.9 | 112.4 | 173.8 | -77.3 | -67.6 | 0 | 0 | 0 | 109.7 | M83 | W69-M83 HydrophobicContact CE3-CE 4.01Å; W69-M83 HydrophobicContact CZ3-CE 3.71Å; W69-M83 HydrophobicContact CZ3-SD 4.42Å | ||
| 70 | G | 69.5 | Low | 88.9 | Confident | 66 Ų | 66 | 99 Ų | 99 | 68% | 0.68 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 116.9 | 158.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D72 | G70-D72 PolarHBondContact O-N 3.29Š|
| 71 | Q | 65.6 | Low | 89 | Confident | 184 Ų | 184 | 100.7 Ų | 100.7 | 86% | 0.86 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -61.2 | 127.3 | -179.1 | -66 | 178.3 | -18.5 | 0 | 0 | 111.4 | K73 | Q71-K73 PolarHBondContact O-N 2.89Š|
| 72 | D | 70 | Confident | 89 | Confident | 169 Ų | 169 | 96.1 Ų | 96.1 | 90% | 0.904 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 37.6 | 8.8 | 160.2 | -59.2 | -24.2 | 0 | 0 | 0 | 120.2 | G70 K74 | G70-D72 PolarHBondContact O-N 3.29Å; D72-K74 PolarHBondContact O-N 3.18Å |
| 73 | K | 82.3 | Confident | 88.9 | Confident | 157 Ų | 157 | 95.5 Ų | 95.5 | 68% | 0.683 | 47% | 0.465 | S | S | * | . | trans | -81.4 | 114.5 | -175.5 | -175.6 | -175.5 | 172 | -169 | 0 | 109.7 | Q71 L75 | Q71-K73 PolarHBondContact O-N 2.89Å; K73-L75 PolarHBondContact O-N 3.48Å; K73-L75 VanDerWaalsContact O-N 3.14Å | ||
| 74 | K | 88.1 | Confident | 89 | Confident | 125 Ų | 125 | 95 Ų | 95 | 54% | 0.543 | 47% | 0.466 | S | S | . | . | trans | -60.7 | 114.9 | 174.9 | -170 | 173.8 | -175.2 | 165.8 | 0 | 111.3 | D60 D72 | D60-K74 VanDerWaalsContact CG-NZ 3.32Å; D60-K74 WeakPolarHBondContact OD1-CE 3.27Å; D60-K74 IonicContact OD1-NZ 3Å; D60-K74 PolarHBondContact OD1-NZ 2.86Å; D60-K74 IonicContact OD2-NZ 2.65Å; D60-K74 PolarHBondContact OD2-NZ 3.23Å; D72-K74 PolarHBondContact O-N 3.18Å | ||
| 75 | L | 92 | Very high | 89.2 | Confident | 31 Ų | 31 | 91 Ų | 91 | 16% | 0.162 | 45% | 0.452 | C | S | . | . | trans | -56.2 | 141.5 | 173 | -64.6 | 177.5 | 0 | 0 | 0 | 112 | R63 V66 Q68 K73 E79 M83 | R63-L75 VanDerWaalsContact CZ-O 3.32Å; R63-L75 PolarHBondContact NE-O 3.3Å; R63-L75 PolarHBondContact NH2-O 2.99Å; V66-L75 HydrophobicContact CG1-CD1 4.41Å; Q68-L75 HydrophobicContact CG-CD1 3.99Å; Q68-L75 HydrophobicContact CG-CG 4.35Å; K73-L75 PolarHBondContact O-N 3.48Å; K73-L75 VanDerWaalsContact O-N 3.14Å; L75-E79 HydrophobicContact CB-CB 4.21Å; L75-E79 HydrophobicContact CD2-CB 4.26Å; L75-M83 HydrophobicContact CD1-CB 4.48Å; L75-M83 HydrophobicContact CD1-CG 4.2Å | ||
| 76 | S | 95.3 | Very high | 89.2 | Confident | 52 Ų | 52 | 89.4 Ų | 89.4 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | trans | -62 | 167 | 170.3 | 71.9 | 0 | 0 | 0 | 0 | 111.4 | Y78 E79 T80 | S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact O-N 3.28Å; S76-E79 WeakPolarHBondContact CA-OE2 3.39Å; S76-E79 WeakPolarHBondContact CB-OE2 3.43Å; S76-E79 PolarHBondContact N-OE2 2.91Å; S76-E79 PolarHBondContact O-N 3Å; S76-E79 WeakPolarHBondContact OG-CB 3.42Å; S76-E79 VanDerWaalsContact OG-CD 3.24Å; S76-E79 VanDerWaalsContact OG-CG 3.24Å; S76-E79 WeakPolarHBondContact OG-CG 3.4Å; S76-E79 PolarHBondContact OG-N 2.98Å; S76-E79 PolarHBondContact OG-OE2 3.47Å; S76-T80 WeakPolarHBondContact O-CB 3.47Å; S76-T80 PolarHBondContact O-N 2.88Å; S76-T80 PolarHBondContact O-OG1 2.83Å | ||
| 77 | K | 96.7 | Very high | 89.4 | Confident | 91 Ų | 91 | 93.2 Ų | 93.2 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 178.4 | -70.8 | -174.2 | 176.7 | -174.8 | 0 | 111.6 | N56 F59 L81 | N56-K77 WeakPolarHBondContact OD1-CE 3.27Å; N56-K77 PolarHBondContact OD1-NZ 2.89Å; F59-K77 HydrophobicContact CD1-CB 4.42Å; F59-K77 HydrophobicContact CD1-CG 4.14Å; F59-K77 HydrophobicContact CE1-CB 3.77Å; F59-K77 HydrophobicContact CE1-CG 3.93Å; F59-K77 WeakPolarHBondContact CE1-O 3.29Å; F59-K77 HydrophobicContact CE2-CD 4.34Å; F59-K77 HydrophobicContact CE2-CG 4.48Å; F59-K77 HydrophobicContact CZ-CB 3.96Å; F59-K77 HydrophobicContact CZ-CD 4.33Å; F59-K77 HydrophobicContact CZ-CG 4.11Å; K77-L81 WeakPolarHBondContact O-CG 3.46Å; K77-L81 PolarHBondContact O-N 2.63Å |
| 78 | Y | 97.2 | Very high | 89.6 | Confident | 159 Ų | 159 | 96.1 Ų | 96.1 | 62% | 0.624 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.8 | -50 | 179.1 | 175.8 | -102.8 | 0 | 0 | 0 | 111.7 | S76 T80 L81 Q82 | S76-Y78 VanDerWaalsContact C-N 3.31Å; S76-Y78 PolarHBondContact O-N 3.28Å; Y78-T80 VanDerWaalsContact C-N 3.3Å; Y78-T80 PolarHBondContact O-N 3.21Å; Y78-L81 PolarHBondContact O-N 3.42Å; Y78-L81 VanDerWaalsContact O-N 3.11Å; Y78-Q82 HydrophobicContact CD1-CG 4.23Å; Y78-Q82 HydrophobicContact CD2-CG 4.42Å; Y78-Q82 HydrophobicContact CE1-CG 3.74Å; Y78-Q82 HydrophobicContact CE2-CG 3.96Å; Y78-Q82 PolarHBondContact O-N 3.18Å; Y78-Q82 PolarHBondContact OH-NE2 3.45Å |
| 79 | E | 95.1 | Very high | 90.1 | Very high | 81 Ų | 81 | 96.3 Ų | 96.3 | 38% | 0.379 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 178.2 | -68.8 | 162.7 | 138.5 | 0 | 0 | 111.6 | L75 S76 L81 Q82 M83 | L75-E79 HydrophobicContact CB-CB 4.21Å; L75-E79 HydrophobicContact CD2-CB 4.26Å; S76-E79 WeakPolarHBondContact CA-OE2 3.39Å; S76-E79 WeakPolarHBondContact CB-OE2 3.43Å; S76-E79 PolarHBondContact N-OE2 2.91Å; S76-E79 PolarHBondContact O-N 3Å; S76-E79 WeakPolarHBondContact OG-CB 3.42Å; S76-E79 VanDerWaalsContact OG-CD 3.24Å; S76-E79 VanDerWaalsContact OG-CG 3.24Å; S76-E79 WeakPolarHBondContact OG-CG 3.4Å; S76-E79 PolarHBondContact OG-N 2.98Å; S76-E79 PolarHBondContact OG-OE2 3.47Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.28Å; E79-Q82 PolarHBondContact O-N 3.5Å; E79-M83 WeakPolarHBondContact O-CB 3.47Å; E79-M83 WeakPolarHBondContact O-CG 3.41Å; E79-M83 PolarHBondContact O-N 2.96Å |
| 80 | T | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 176.7 | -53.6 | 0 | 0 | 0 | 0 | 111.4 | F59 L62 R63 S76 Y78 A84 | F59-T80 HydrophobicContact CD1-CG2 4.26Å; L62-T80 HydrophobicContact CB-CG2 4.37Å; L62-T80 HydrophobicContact CD2-CG2 3.8Å; L62-T80 HydrophobicContact CG-CG2 3.86Å; R63-T80 HydrophobicContact CG-CG2 3.7Å; R63-T80 PolarHBondContact NE-OG1 2.71Å; R63-T80 PolarHBondContact NH2-OG1 2.75Å; S76-T80 WeakPolarHBondContact O-CB 3.47Å; S76-T80 PolarHBondContact O-N 2.88Å; S76-T80 PolarHBondContact O-OG1 2.83Å; Y78-T80 VanDerWaalsContact C-N 3.3Å; Y78-T80 PolarHBondContact O-N 3.21Å; T80-A84 VanDerWaalsContact O-CB 3.27Å; T80-A84 WeakPolarHBondContact O-CB 3.47Å; T80-A84 PolarHBondContact O-N 3.41Å |
| 81 | L | 98.1 | Very high | 92.6 | Very high | 92 Ų | 92 | 87 Ų | 87 | 48% | 0.482 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70 | -42.8 | 179.5 | -67.5 | 174.9 | 0 | 0 | 0 | 112 | F59 L62 K77 Y78 E79 A84 L85 | F59-L81 HydrophobicContact CE1-CD2 4.18Å; F59-L81 HydrophobicContact CE1-CG 4.06Å; F59-L81 HydrophobicContact CZ-CD1 4.15Å; F59-L81 HydrophobicContact CZ-CD2 4.1Å; F59-L81 HydrophobicContact CZ-CG 4.09Å; L62-L81 HydrophobicContact CD2-CD2 4.39Å; K77-L81 WeakPolarHBondContact O-CG 3.46Å; K77-L81 PolarHBondContact O-N 2.63Å; Y78-L81 PolarHBondContact O-N 3.42Å; Y78-L81 VanDerWaalsContact O-N 3.11Å; E79-L81 VanDerWaalsContact C-N 3.3Å; E79-L81 PolarHBondContact O-N 3.28Å; L81-A84 PolarHBondContact O-N 3Å; L81-L85 PolarHBondContact O-N 3.04Å |
| 82 | Q | 97 | Very high | 94 | Very high | 84 Ų | 84 | 82.3 Ų | 82.3 | 39% | 0.393 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 175.9 | -73.8 | -67.1 | -38.5 | 0 | 0 | 111.2 | Y78 E79 A84 L85 S86 | Y78-Q82 HydrophobicContact CD1-CG 4.23Å; Y78-Q82 HydrophobicContact CD2-CG 4.42Å; Y78-Q82 HydrophobicContact CE1-CG 3.74Å; Y78-Q82 HydrophobicContact CE2-CG 3.96Å; Y78-Q82 PolarHBondContact O-N 3.18Å; Y78-Q82 PolarHBondContact OH-NE2 3.45Å; E79-Q82 PolarHBondContact O-N 3.5Å; Q82-A84 PolarHBondContact O-N 2.83Å; Q82-L85 PolarHBondContact O-N 3.11Å; Q82-S86 PolarHBondContact O-N 3.48Å; Q82-S86 PolarHBondContact O-OG 3.38Å |
| 83 | M | 95.5 | Very high | 95 | Very high | 43 Ų | 43 | 80.6 Ų | 80.6 | 21% | 0.212 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 178.9 | -73.8 | -61.1 | -62.4 | 0 | 0 | 112.3 | V66 P67 W69 L75 E79 S86 Y87 | V66-M83 HydrophobicContact CG1-CB 3.32Å; V66-M83 HydrophobicContact CG1-CG 4.4Å; P67-M83 VanDerWaalsContact O-CE 3.27Å; P67-M83 WeakPolarHBondContact O-CE 2.96Å; W69-M83 HydrophobicContact CE3-CE 4.01Å; W69-M83 HydrophobicContact CZ3-CE 3.71Å; W69-M83 HydrophobicContact CZ3-SD 4.42Å; L75-M83 HydrophobicContact CD1-CB 4.48Å; L75-M83 HydrophobicContact CD1-CG 4.2Å; E79-M83 WeakPolarHBondContact O-CB 3.47Å; E79-M83 WeakPolarHBondContact O-CG 3.41Å; E79-M83 PolarHBondContact O-N 2.96Å; M83-S86 PolarHBondContact O-N 3.28Å; M83-Y87 VanDerWaalsContact O-CB 3.24Å; M83-Y87 WeakPolarHBondContact O-CB 3.46Å; M83-Y87 PolarHBondContact O-N 2.88Å |
| 84 | A | 97.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 76.3 Ų | 76.3 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L62 V66 T80 L81 Q82 Y87 I88 | L62-A84 HydrophobicContact CD1-CB 4.05Å; L62-A84 HydrophobicContact CD2-CB 4.21Å; L62-A84 HydrophobicContact CG-CB 4.43Å; V66-A84 HydrophobicContact CG2-CB 3.78Å; T80-A84 VanDerWaalsContact O-CB 3.27Å; T80-A84 WeakPolarHBondContact O-CB 3.47Å; T80-A84 PolarHBondContact O-N 3.41Å; L81-A84 PolarHBondContact O-N 3Å; Q82-A84 PolarHBondContact O-N 2.83Å; A84-Y87 PolarHBondContact O-N 2.84Å; A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 2.99Å |
| 85 | L | 97.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 75.8 Ų | 75.8 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -52.2 | 176.8 | 176.1 | 62 | 0 | 0 | 0 | 111 | L81 Q82 Y87 I88 M89 | L81-L85 PolarHBondContact O-N 3.04Å; Q82-L85 PolarHBondContact O-N 3.11Å; L85-Y87 PolarHBondContact O-N 3.08Å; L85-I88 PolarHBondContact O-N 3.45Å; L85-M89 HydrophobicContact CD1-CG 4.38Å; L85-M89 HydrophobicContact CD1-SD 4.26Å; L85-M89 HydrophobicContact CG-SD 4.2Å; L85-M89 WeakPolarHBondContact O-CG 3.49Å; L85-M89 PolarHBondContact O-N 3.16Å |
| 86 | S | 96.5 | Very high | 95.3 | Very high | 65 Ų | 65 | 76.6 Ų | 76.6 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57 | -39.6 | 177.9 | -64.9 | 0 | 0 | 0 | 0 | 112 | Q82 M83 M89 A90 | Q82-S86 PolarHBondContact O-N 3.48Å; Q82-S86 PolarHBondContact O-OG 3.38Å; M83-S86 PolarHBondContact O-N 3.28Å; S86-M89 PolarHBondContact O-N 3.42Å; S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 2.86Å |
| 87 | Y | 97.6 | Very high | 94.9 | Very high | 89 Ų | 89 | 77.6 Ų | 77.6 | 35% | 0.349 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | -179.8 | -172.8 | -138.7 | 0 | 0 | 0 | 112.6 | V65 P67 M83 A84 L85 M89 A90 L91 | V65-Y87 WeakPolarHBondContact O-CE1 3.46Å; P67-Y87 VanDerWaalsContact CD-CD1 3.47Å; P67-Y87 HydrophobicContact CG-CD1 4.08Å; P67-Y87 HydrophobicContact CG-CD2 3.63Å; P67-Y87 HydrophobicContact CG-CE1 4.11Å; P67-Y87 HydrophobicContact CG-CE2 3.68Å; P67-Y87 HydrophobicContact CG-CG 3.84Å; M83-Y87 VanDerWaalsContact O-CB 3.24Å; M83-Y87 WeakPolarHBondContact O-CB 3.46Å; M83-Y87 PolarHBondContact O-N 2.88Å; A84-Y87 PolarHBondContact O-N 2.84Å; L85-Y87 PolarHBondContact O-N 3.08Å; Y87-M89 VanDerWaalsContact C-N 3.28Å; Y87-M89 PolarHBondContact O-N 2.98Å; Y87-A90 PolarHBondContact O-N 3.43Å; Y87-L91 HydrophobicContact CD1-CD1 4.2Å; Y87-L91 HydrophobicContact CD2-CD1 4.22Å; Y87-L91 HydrophobicContact CD2-CD2 4.47Å; Y87-L91 HydrophobicContact CD2-CG 3.99Å; Y87-L91 HydrophobicContact CE1-CD1 3.81Å; Y87-L91 HydrophobicContact CE2-CD1 3.81Å; Y87-L91 HydrophobicContact CE2-CD2 3.75Å; Y87-L91 HydrophobicContact CE2-CG 3.68Å; Y87-L91 HydrophobicContact CG-CD1 4.4Å; Y87-L91 WeakPolarHBondContact O-CG 3.36Å; Y87-L91 PolarHBondContact O-N 2.93Å |
| 88 | I | 97.9 | Very high | 94.2 | Very high | 108 Ų | 108 | 75.3 Ų | 75.3 | 55% | 0.554 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.8 | -46 | 173.9 | -69 | 165.1 | 0 | 0 | 0 | 110.1 | A84 L85 A90 L91 T92 | A84-I88 WeakPolarHBondContact O-CG1 3.48Å; A84-I88 PolarHBondContact O-N 2.99Å; L85-I88 PolarHBondContact O-N 3.45Å; I88-A90 PolarHBondContact O-N 3.25Å; I88-L91 PolarHBondContact O-N 3.42Å; I88-T92 WeakPolarHBondContact O-CB 3.29Å; I88-T92 PolarHBondContact O-N 3.33Å; I88-T92 PolarHBondContact O-OG1 3.23Å |
| 89 | M | 96.4 | Very high | 93.4 | Very high | 83 Ų | 83 | 75.9 Ų | 75.9 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 178.5 | -67.2 | 177.2 | 77.5 | 0 | 0 | 112.4 | L85 S86 Y87 T92 R93 | L85-M89 HydrophobicContact CD1-CG 4.38Å; L85-M89 HydrophobicContact CD1-SD 4.26Å; L85-M89 HydrophobicContact CG-SD 4.2Å; L85-M89 WeakPolarHBondContact O-CG 3.49Å; L85-M89 PolarHBondContact O-N 3.16Å; S86-M89 PolarHBondContact O-N 3.42Å; Y87-M89 VanDerWaalsContact C-N 3.28Å; Y87-M89 PolarHBondContact O-N 2.98Å; M89-T92 PolarHBondContact O-N 3.42Å; M89-R93 WeakPolarHBondContact O-CG 3.33Å; M89-R93 PolarHBondContact O-N 3.36Å; M89-R93 VanDerWaalsContact O-N 3.08Å |
| 90 | A | 95 | Very high | 92.3 | Very high | 39 Ų | 39 | 82.2 Ų | 82.2 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.6 | -49 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | S86 Y87 I88 T92 R93 I94 | S86-A90 WeakPolarHBondContact O-CB 3.46Å; S86-A90 PolarHBondContact O-N 2.86Å; Y87-A90 PolarHBondContact O-N 3.43Å; I88-A90 PolarHBondContact O-N 3.25Å; A90-T92 VanDerWaalsContact C-N 3.3Å; A90-T92 PolarHBondContact O-N 3.42Å; A90-R93 PolarHBondContact O-N 3.11Å; A90-I94 WeakPolarHBondContact O-CG1 3.45Å; A90-I94 PolarHBondContact O-N 2.69Å |
| 91 | L | 95.7 | Very high | 90.8 | Very high | 69 Ų | 69 | 85.7 Ų | 85.7 | 36% | 0.361 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 177.1 | -67.5 | 179.4 | 0 | 0 | 0 | 112 | Y87 I88 R93 I94 L95 | Y87-L91 HydrophobicContact CD1-CD1 4.2Å; Y87-L91 HydrophobicContact CD2-CD1 4.22Å; Y87-L91 HydrophobicContact CD2-CD2 4.47Å; Y87-L91 HydrophobicContact CD2-CG 3.99Å; Y87-L91 HydrophobicContact CE1-CD1 3.81Å; Y87-L91 HydrophobicContact CE2-CD1 3.81Å; Y87-L91 HydrophobicContact CE2-CD2 3.75Å; Y87-L91 HydrophobicContact CE2-CG 3.68Å; Y87-L91 HydrophobicContact CG-CD1 4.4Å; Y87-L91 WeakPolarHBondContact O-CG 3.36Å; Y87-L91 PolarHBondContact O-N 2.93Å; I88-L91 PolarHBondContact O-N 3.42Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 3.39Å; L91-I94 PolarHBondContact O-N 3.47Å; L91-L95 VanDerWaalsContact O-CG 3.32Å; L91-L95 WeakPolarHBondContact O-CG 3.45Å; L91-L95 PolarHBondContact O-N 3.33Å |
| 92 | T | 95.2 | Very high | 89.1 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 52% | 0.515 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | I88 M89 A90 A96 | I88-T92 WeakPolarHBondContact O-CB 3.29Å; I88-T92 PolarHBondContact O-N 3.33Å; I88-T92 PolarHBondContact O-OG1 3.23Å; M89-T92 PolarHBondContact O-N 3.42Å; A90-T92 VanDerWaalsContact C-N 3.3Å; A90-T92 PolarHBondContact O-N 3.42Å; T92-A96 WeakPolarHBondContact O-CB 3.33Å; T92-A96 PolarHBondContact O-N 3.03Å; T92-A96 VanDerWaalsContact O-N 3.07Å |
| 93 | R | 90.3 | Very high | 87.6 | Confident | 133 Ų | 133 | 85.6 Ų | 85.6 | 50% | 0.502 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64 | -47.7 | 175.5 | -71 | 178.8 | -171.9 | 110.8 | -6.1 | 111.6 | M89 A90 L91 L95 A96 E97 | M89-R93 WeakPolarHBondContact O-CG 3.33Å; M89-R93 PolarHBondContact O-N 3.36Å; M89-R93 VanDerWaalsContact O-N 3.08Å; A90-R93 PolarHBondContact O-N 3.11Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 3.39Å; R93-L95 VanDerWaalsContact C-N 3.3Å; R93-L95 PolarHBondContact O-N 2.94Å; R93-A96 PolarHBondContact O-N 3.23Å; R93-A96 VanDerWaalsContact O-N 3.16Å; R93-E97 WeakPolarHBondContact O-CB 3.04Å; R93-E97 WeakPolarHBondContact O-CG 3.35Å; R93-E97 PolarHBondContact O-N 3.42Å |
| 94 | I | 91.6 | Very high | 86 | Confident | 68 Ų | 68 | 91.1 Ų | 91.1 | 35% | 0.349 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -54.9 | -46 | 178 | -74 | 165.1 | 0 | 0 | 0 | 111.4 | A90 L91 E97 A98 W107 | A90-I94 WeakPolarHBondContact O-CG1 3.45Å; A90-I94 PolarHBondContact O-N 2.69Å; L91-I94 PolarHBondContact O-N 3.47Å; I94-E97 PolarHBondContact O-N 2.87Å; I94-A98 WeakPolarHBondContact O-CB 3.11Å; I94-A98 PolarHBondContact O-N 3.2Å; I94-W107 HydrophobicContact CG2-CZ2 3.75Å |
| 95 | L | 90.4 | Very high | 84.2 | Confident | 113 Ų | 113 | 100.5 Ų | 100.5 | 59% | 0.592 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.4 | -43.1 | 179 | -68.1 | 167.7 | 0 | 0 | 0 | 111.9 | L91 R93 E97 A98 E99 | L91-L95 VanDerWaalsContact O-CG 3.32Å; L91-L95 WeakPolarHBondContact O-CG 3.45Å; L91-L95 PolarHBondContact O-N 3.33Å; R93-L95 VanDerWaalsContact C-N 3.3Å; R93-L95 PolarHBondContact O-N 2.94Å; L95-E97 VanDerWaalsContact C-N 3.28Å; L95-E97 PolarHBondContact O-N 3.34Å; L95-A98 PolarHBondContact O-N 3.48Å; L95-E99 PolarHBondContact O-N 2.8Å |
| 96 | A | 88.4 | Confident | 82.6 | Confident | 49 Ų | 49 | 100.4 Ų | 100.4 | 41% | 0.405 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -31.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T92 R93 | T92-A96 WeakPolarHBondContact O-CB 3.33Å; T92-A96 PolarHBondContact O-N 3.03Å; T92-A96 VanDerWaalsContact O-N 3.07Å; R93-A96 PolarHBondContact O-N 3.23Å; R93-A96 VanDerWaalsContact O-N 3.16Å |
| 97 | E | 85.6 | Confident | 81.1 | Confident | 72 Ų | 72 | 101.2 Ų | 101.2 | 34% | 0.336 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.5 | -42.8 | 174.2 | -73 | 172.7 | -140 | 0 | 0 | 111.1 | R93 I94 L95 E99 R100 Y101 H111 | R93-E97 WeakPolarHBondContact O-CB 3.04Å; R93-E97 WeakPolarHBondContact O-CG 3.35Å; R93-E97 PolarHBondContact O-N 3.42Å; I94-E97 PolarHBondContact O-N 2.87Å; L95-E97 VanDerWaalsContact C-N 3.28Å; L95-E97 PolarHBondContact O-N 3.34Å; E97-E99 PolarHBondContact O-N 3.14Å; E97-R100 WeakPolarHBondContact O-CB 3.24Å; E97-R100 PolarHBondContact O-N 3.33Å; E97-Y101 HydrophobicContact CB-CE2 4.35Å; E97-Y101 WeakPolarHBondContact O-CD2 3.15Å; E97-Y101 WeakPolarHBondContact O-CE2 3.42Å; E97-H111 IonicContact OE2-CE1 2.84Å; E97-H111 PolarHBondContact OE2-CE1 3.32Å; E97-H111 IonicContact OE2-NE2 3.04Å; E97-H111 PolarHBondContact OE2-NE2 2.99Å; E97-H111 VanDerWaalsContact OE2-NE2 3.11Å |
| 98 | A | 82.6 | Confident | 79.7 | Confident | 43 Ų | 43 | 100.4 Ų | 100.4 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.5 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I94 L95 R100 Y101 | I94-A98 WeakPolarHBondContact O-CB 3.11Å; I94-A98 PolarHBondContact O-N 3.2Å; L95-A98 PolarHBondContact O-N 3.48Å; A98-R100 PolarHBondContact O-N 2.76Å; A98-Y101 PolarHBondContact O-N 2.99Å |
| 99 | E | 79.6 | Confident | 78.1 | Confident | 172 Ų | 172 | 101 Ų | 101 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19.3 | 174.5 | -71.5 | 177.2 | -174.5 | 0 | 0 | 113.9 | L95 E97 | L95-E99 PolarHBondContact O-N 2.8Å; E97-E99 PolarHBondContact O-N 3.14Å |
| 100 | R | 73.4 | Confident | 76.5 | Confident | 214 Ų | 214 | 102.3 Ų | 102.3 | 81% | 0.808 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -15.7 | -179.1 | -64 | -177.9 | 176 | -123.1 | -1.4 | 113.9 | E97 A98 | E97-R100 WeakPolarHBondContact O-CB 3.24Å; E97-R100 PolarHBondContact O-N 3.33Å; A98-R100 PolarHBondContact O-N 2.76Å |
| 101 | Y | 65 | Low | 75 | Confident | 73 Ų | 73 | 102.8 Ų | 102.8 | 29% | 0.286 | 50% | 0.5 | S | S | . | . | trans | -104.9 | 126.9 | -178.8 | -61.2 | -75.3 | 0 | 0 | 0 | 110.3 | E97 A98 E106 W107 H110 | E97-Y101 HydrophobicContact CB-CE2 4.35Å; E97-Y101 WeakPolarHBondContact O-CD2 3.15Å; E97-Y101 WeakPolarHBondContact O-CE2 3.42Å; A98-Y101 PolarHBondContact O-N 2.99Å; Y101-E106 HydrophobicContact CD1-CB 4.04Å; Y101-W107 HydrophobicContact CD2-CB 4.37Å; Y101-W107 AromaticContact CD2-CD1 3.82Å; Y101-W107 HydrophobicContact CG-CB 4.43Å; Y101-H110 PolarHBondContact OH-CD2 2.8Å; Y101-H110 PolarHBondContact OH-NE2 3.22Å | ||
| 102 | S | 61 | Low | 73 | Confident | 107 Ų | 107 | 103 Ų | 103 | 75% | 0.748 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -81.8 | -17.4 | -172.6 | 70.9 | 0 | 0 | 0 | 0 | 113.6 | E106 | S102-E106 PolarHBondContact OG-OE2 3.43Š|
| 103 | T | 66.3 | Low | 70.8 | Confident | 67 Ų | 67 | 106.5 Ų | 106.5 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -132.8 | 141.8 | -179.6 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | R105 E106 W107 | T103-R105 PolarHBondContact O-N 3.47Å; T103-R105 VanDerWaalsContact O-N 3.13Å; T103-E106 PolarHBondContact N-OE2 3.43Å; T103-E106 PolarHBondContact O-N 3.41Å; T103-E106 VanDerWaalsContact OG1-CG 3.23Å; T103-E106 WeakPolarHBondContact OG1-CG 3.43Å; T103-E106 PolarHBondContact OG1-OE2 3.44Å; T103-W107 PolarHBondContact O-N 2.98Å |
| 104 | E | 61.6 | Low | 68.8 | Low | 158 Ų | 158 | 108.7 Ų | 108.7 | 74% | 0.738 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -53.7 | -32.9 | 176.8 | -174.5 | 176.8 | -160.8 | 0 | 0 | 112.3 | I108 | E104-I108 HydrophobicContact CG-CD1 3.89Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.32Å; E104-I108 PolarHBondContact O-N 2.98Å; E104-I108 VanDerWaalsContact O-N 3.08Å |
| 105 | R | 60.4 | Low | 66.5 | Low | 210 Ų | 210 | 114.3 Ų | 114.3 | 79% | 0.792 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.5 | -40.6 | 176.3 | -101.2 | 178.8 | -168 | 153.1 | 5.8 | 114 | T103 N109 | T103-R105 PolarHBondContact O-N 3.47Å; T103-R105 VanDerWaalsContact O-N 3.13Å; R105-N109 WeakPolarHBondContact O-CB 3.35Å; R105-N109 PolarHBondContact O-N 3.21Å |
| 106 | E | 63.1 | Low | 64.1 | Low | 93 Ų | 93 | 115 Ų | 115 | 44% | 0.435 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.5 | -38.8 | -179 | -72.8 | 167.1 | 154.6 | 0 | 0 | 111.1 | Y101 S102 T103 H110 | Y101-E106 HydrophobicContact CD1-CB 4.04Å; S102-E106 PolarHBondContact OG-OE2 3.43Å; T103-E106 PolarHBondContact N-OE2 3.43Å; T103-E106 PolarHBondContact O-N 3.41Å; T103-E106 VanDerWaalsContact OG1-CG 3.23Å; T103-E106 WeakPolarHBondContact OG1-CG 3.43Å; T103-E106 PolarHBondContact OG1-OE2 3.44Å; E106-H110 WeakPolarHBondContact O-CB 3.45Å; E106-H110 PolarHBondContact O-N 2.93Å; E106-H110 VanDerWaalsContact O-N 3.09Å |
| 107 | W | 66.7 | Low | 62.1 | Low | 81 Ų | 81 | 117.5 Ų | 117.5 | 31% | 0.307 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.5 | -47.6 | 176.5 | -174.7 | 81.4 | 0 | 0 | 0 | 112 | I94 Y101 T103 H110 H111 | I94-W107 HydrophobicContact CG2-CZ2 3.75Å; Y101-W107 HydrophobicContact CD2-CB 4.37Å; Y101-W107 AromaticContact CD2-CD1 3.82Å; Y101-W107 HydrophobicContact CG-CB 4.43Å; T103-W107 PolarHBondContact O-N 2.98Å; W107-H110 PolarHBondContact O-N 2.65Å; W107-H111 AromaticContact CD1-NE2 3.68Å; W107-H111 AromaticContact CE2-CD2 3.41Å; W107-H111 VanDerWaalsContact CE2-CD2 3.41Å; W107-H111 AromaticContact CE2-NE2 3.7Å; W107-H111 AromaticContact CZ2-CD2 3.52Å; W107-H111 AromaticContact NE1-CD2 3.34Å; W107-H111 PolarHBondContact NE1-CD2 2.94Å; W107-H111 VanDerWaalsContact NE1-CD2 3.34Å; W107-H111 AromaticContact NE1-CE1 3.91Å; W107-H111 AromaticContact NE1-NE2 3.09Å; W107-H111 PolarHBondContact NE1-NE2 3.5Å; W107-H111 WeakPolarHBondContact O-CB 3.48Å; W107-H111 PolarHBondContact O-N 2.87Å; W107-H111 VanDerWaalsContact O-N 3.11Å |
| 108 | I | 66.9 | Low | 59.9 | Low | 72 Ų | 72 | 119.5 Ų | 119.5 | 37% | 0.369 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.1 | -47.5 | 177.2 | -67.1 | 171.7 | 0 | 0 | 0 | 110.8 | E104 H110 H111 C112 | E104-I108 HydrophobicContact CG-CD1 3.89Å; E104-I108 VanDerWaalsContact O-CG1 3.28Å; E104-I108 WeakPolarHBondContact O-CG1 3.32Å; E104-I108 PolarHBondContact O-N 2.98Å; E104-I108 VanDerWaalsContact O-N 3.08Å; I108-H110 VanDerWaalsContact C-N 3.34Å; I108-H110 PolarHBondContact O-N 2.88Å; I108-H111 PolarHBondContact O-N 3.32Å; I108-C112 VanDerWaalsContact O-CB 3.25Å; I108-C112 WeakPolarHBondContact O-CB 3.42Å; I108-C112 PolarHBondContact O-N 3.33Å |
| 109 | N | 65.4 | Low | 57.9 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 65% | 0.647 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.9 | -43.1 | 179.5 | -94.7 | 11.5 | 0 | 0 | 0 | 112 | R105 H111 E113 | R105-N109 WeakPolarHBondContact O-CB 3.35Å; R105-N109 PolarHBondContact O-N 3.21Å; N109-H111 VanDerWaalsContact C-N 3.34Å; N109-H111 PolarHBondContact O-N 2.91Å; N109-E113 WeakPolarHBondContact O-CG 3.46Å |
| 110 | H | 62.7 | Low | 56.3 | Low | 111 Ų | 111 | 122.9 Ų | 122.9 | 51% | 0.514 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.7 | -29.6 | -178.3 | -166.4 | -62.5 | 0 | 0 | 0 | 112.9 | Y101 E106 W107 I108 | Y101-H110 PolarHBondContact OH-CD2 2.8Å; Y101-H110 PolarHBondContact OH-NE2 3.22Å; E106-H110 WeakPolarHBondContact O-CB 3.45Å; E106-H110 PolarHBondContact O-N 2.93Å; E106-H110 VanDerWaalsContact O-N 3.09Å; W107-H110 PolarHBondContact O-N 2.65Å; I108-H110 VanDerWaalsContact C-N 3.34Å; I108-H110 PolarHBondContact O-N 2.88Å |
| 111 | H | 62.2 | Low | 55 | Low | 48 Ų | 48 | 119.1 Ų | 119.1 | 22% | 0.222 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -98.4 | -23.5 | -173.9 | -68.4 | 21.6 | 0 | 0 | 0 | 113.4 | E97 W107 I108 N109 | E97-H111 IonicContact OE2-CE1 2.84Å; E97-H111 PolarHBondContact OE2-CE1 3.32Å; E97-H111 IonicContact OE2-NE2 3.04Å; E97-H111 PolarHBondContact OE2-NE2 2.99Å; E97-H111 VanDerWaalsContact OE2-NE2 3.11Å; W107-H111 AromaticContact CD1-NE2 3.68Å; W107-H111 AromaticContact CE2-CD2 3.41Å; W107-H111 VanDerWaalsContact CE2-CD2 3.41Å; W107-H111 AromaticContact CE2-NE2 3.7Å; W107-H111 AromaticContact CZ2-CD2 3.52Å; W107-H111 AromaticContact NE1-CD2 3.34Å; W107-H111 PolarHBondContact NE1-CD2 2.94Å; W107-H111 VanDerWaalsContact NE1-CD2 3.34Å; W107-H111 AromaticContact NE1-CE1 3.91Å; W107-H111 AromaticContact NE1-NE2 3.09Å; W107-H111 PolarHBondContact NE1-NE2 3.5Å; W107-H111 WeakPolarHBondContact O-CB 3.48Å; W107-H111 PolarHBondContact O-N 2.87Å; W107-H111 VanDerWaalsContact O-N 3.11Å; I108-H111 PolarHBondContact O-N 3.32Å; N109-H111 VanDerWaalsContact C-N 3.34Å; N109-H111 PolarHBondContact O-N 2.91Å |
| 112 | C | 55.3 | Low | 53.7 | Low | 73 Ų | 73 | 124.2 Ų | 124.2 | 49% | 0.493 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -81.7 | -13.3 | 173.2 | -78.1 | 0 | 0 | 0 | 0 | 113.9 | I108 H114 F115 | I108-C112 VanDerWaalsContact O-CB 3.25Å; I108-C112 WeakPolarHBondContact O-CB 3.42Å; I108-C112 PolarHBondContact O-N 3.33Å; C112-H114 PolarHBondContact O-N 2.64Å; C112-F115 PolarHBondContact O-N 3.39Å |
| 113 | E | 48.2 | Very low | 52.9 | Low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -17.1 | 173.9 | -80.4 | -99.2 | 138 | 0 | 0 | 113.5 | N109 | N109-E113 WeakPolarHBondContact O-CG 3.46Š|
| 114 | H | 47.2 | Very low | 51.9 | Low | 178 Ų | 178 | 132.3 Ų | 132.3 | 82% | 0.824 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -13 | 173.1 | -93.7 | -66.2 | 0 | 0 | 0 | 114.7 | C112 H116 | C112-H114 PolarHBondContact O-N 2.64Å; H114-H116 VanDerWaalsContact C-N 3.29Å; H114-H116 PolarHBondContact O-N 2.87Å |
| 115 | F | 44.1 | Very low | 51.1 | Low | 186 Ų | 186 | 128 Ų | 128 | 82% | 0.816 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -84.6 | 81.2 | 163.2 | -93.9 | -91.2 | 0 | 0 | 0 | 107.7 | C112 P117 | C112-F115 PolarHBondContact O-N 3.39Å; F115-P117 WeakPolarHBondContact O-CD 3.48Å |
| 116 | H | 39.5 | Very low | 50 | Low | 129 Ų | 129 | 125.3 Ų | 125.3 | 60% | 0.597 | 62% | 0.616 | S | S | * | * | trans | -45.1 | 121.3 | -177.7 | -132.3 | -51.7 | 0 | 0 | 0 | 111.3 | H114 E118 S119 | H114-H116 VanDerWaalsContact C-N 3.29Å; H114-H116 PolarHBondContact O-N 2.87Å; H116-E118 HydrophobicContact CB-CB 4.4Å; H116-E118 WeakPolarHBondContact ND1-CB 3.32Å; H116-E118 WeakPolarHBondContact ND1-CG 3.49Å; H116-E118 PolarHBondContact O-N 2.75Å; H116-E118 VanDerWaalsContact O-N 3.1Å; H116-S119 PolarHBondContact O-N 3.32Å; H116-S119 VanDerWaalsContact O-N 3.07Å | ||
| 117 | P | 46.5 | Very low | 49.1 | Very low | 100 Ų | 100 | 131.2 Ų | 131.2 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -23.1 | 168 | -24.9 | 33.8 | 0 | 0 | 0 | 112.7 | F115 S119 Y120 | F115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-S119 VanDerWaalsContact C-N 3.29Å; P117-S119 PolarHBondContact O-N 3.44Å; P117-Y120 PolarHBondContact O-N 3.08Å |
| 118 | E | 40.5 | Very low | 47.5 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 53% | 0.533 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -65.1 | -26.7 | 176.5 | -72.3 | -67.4 | 161.6 | 0 | 0 | 113.4 | H116 Y120 H121 E122 | H116-E118 HydrophobicContact CB-CB 4.4Å; H116-E118 WeakPolarHBondContact ND1-CB 3.32Å; H116-E118 WeakPolarHBondContact ND1-CG 3.49Å; H116-E118 PolarHBondContact O-N 2.75Å; H116-E118 VanDerWaalsContact O-N 3.1Å; E118-Y120 PolarHBondContact O-N 3.46Å; E118-H121 PolarHBondContact O-N 3.41Å; E118-E122 PolarHBondContact O-N 2.91Å |
| 119 | S | 40.4 | Very low | 46.3 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.2 | -15.5 | 177 | -170.9 | 0 | 0 | 0 | 0 | 112.8 | H116 P117 | H116-S119 PolarHBondContact O-N 3.32Å; H116-S119 VanDerWaalsContact O-N 3.07Å; P117-S119 VanDerWaalsContact C-N 3.29Å; P117-S119 PolarHBondContact O-N 3.44Å |
| 120 | Y | 45.3 | Very low | 45.7 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -91 | -23.2 | 170.3 | -121.9 | -90.3 | 0 | 0 | 0 | 112.3 | P117 E118 | P117-Y120 PolarHBondContact O-N 3.08Å; E118-Y120 PolarHBondContact O-N 3.46Å |
| 121 | H | 47.2 | Very low | 44.7 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 63% | 0.625 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -79.8 | -27.6 | -175.3 | -129.6 | -59.6 | 0 | 0 | 0 | 113 | E118 Y123 M124 | E118-H121 PolarHBondContact O-N 3.41Å; H121-Y123 VanDerWaalsContact C-N 3.33Å; H121-Y123 PolarHBondContact O-N 2.93Å; H121-M124 PolarHBondContact O-N 3.13Å |
| 122 | E | 36.5 | Very low | 44.5 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -73.2 | -23.9 | 176.5 | -165.2 | 135.1 | -153.9 | 0 | 0 | 113 | E118 | E118-E122 PolarHBondContact O-N 2.91Š|
| 123 | Y | 45.3 | Very low | 43.8 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -84.4 | -12.3 | 176.8 | -158.2 | -98.9 | 0 | 0 | 0 | 114 | H121 | H121-Y123 VanDerWaalsContact C-N 3.33Å; H121-Y123 PolarHBondContact O-N 2.93Å |
| 124 | M | 44.8 | Very low | 44 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 68% | 0.68 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -111.4 | 20.4 | 177.8 | -61.9 | -60.3 | -74.8 | 0 | 0 | 112.9 | H121 Q126 | H121-M124 PolarHBondContact O-N 3.13Å; M124-Q126 PolarHBondContact O-N 3.45Å; M124-Q126 VanDerWaalsContact O-N 3.09Å |
| 125 | G | 44.3 | Very low | 43.7 | Very low | 68 Ų | 68 | 140.1 Ų | 140.1 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -80.6 | 53.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 126 | Q | 38.8 | Very low | 43.7 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -140.6 | 112.3 | 161.3 | -129.6 | 172.1 | -15.7 | 0 | 0 | 107.9 | M124 M128 | M124-Q126 PolarHBondContact O-N 3.45Å; M124-Q126 VanDerWaalsContact O-N 3.09Å; Q126-M128 HydrophobicContact CB-CE 3.91Å; Q126-M128 PolarHBondContact O-N 3.34Å |
| 127 | K | 43.9 | Very low | 44 | Very low | 217 Ų | 217 | 136.5 Ų | 136.5 | 94% | 0.943 | 72% | 0.723 | S | S | * | * | trans | -54.1 | 102.9 | 174.9 | -83.6 | -172.1 | 174.2 | 178.7 | 0 | 108.9 | A129 | K127-A129 PolarHBondContact O-N 2.95Š| ||
| 128 | M | 33.1 | Very low | 44.1 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 74% | 0.744 | 73% | 0.726 | S | S | * | * | trans | -78.8 | 110.2 | 163.1 | -47.8 | -52.1 | 173.8 | 0 | 0 | 105.7 | Q126 | Q126-M128 HydrophobicContact CB-CE 3.91Å; Q126-M128 PolarHBondContact O-N 3.34Å | ||
| 129 | A | 41.8 | Very low | 44.3 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 73% | 0.725 | S | S | * | * | trans | -51.1 | 141.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | K127 D131 | K127-A129 PolarHBondContact O-N 2.95Å; A129-D131 PolarHBondContact O-N 3.18Å | ||
| 130 | T | 53.2 | Low | 44.4 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 86% | 0.859 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -49.5 | 107 | 177.4 | 51.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 131 | D | 40.6 | Very low | 44 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -148.8 | 133.6 | 139.7 | -122 | -20.4 | 0 | 0 | 0 | 110.8 | A129 D133 | A129-D131 PolarHBondContact O-N 3.18Å; D131-D133 PolarHBondContact O-N 2.86Å | ||
| 132 | S | 57.6 | Low | 43.8 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | -18.4 | 119.1 | 173.4 | 168.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 133 | D | 40.6 | Very low | 44.2 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | -140 | 107.7 | 155 | -103.6 | -28.7 | 0 | 0 | 0 | 113.6 | D131 Y135 | D131-D133 PolarHBondContact O-N 2.86Å; D133-Y135 PolarHBondContact O-N 3.16Å | ||
| 134 | S | 52.2 | Low | 44.1 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 7.6 | 176.2 | -176.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 135 | Y | 42 | Very low | 43.8 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 64% | 0.635 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -31.1 | -175.9 | -171.1 | -105.3 | 0 | 0 | 0 | 113.2 | D133 Q137 R138 I139 | D133-Y135 PolarHBondContact O-N 3.16Å; Y135-Q137 VanDerWaalsContact C-N 3.32Å; Y135-Q137 PolarHBondContact O-N 2.91Å; Y135-R138 PolarHBondContact O-N 2.94Å; Y135-I139 HydrophobicContact CE1-CD1 4.24Å; Y135-I139 HydrophobicContact CE1-CG1 4.05Å |
| 136 | A | 44.6 | Very low | 43.7 | Very low | 71 Ų | 71 | 141.6 Ų | 141.6 | 59% | 0.587 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -67.5 | -29.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R138 | A136-R138 PolarHBondContact O-N 2.79Å; A136-R138 VanDerWaalsContact O-N 3.16Å |
| 137 | Q | 44.2 | Very low | 43.7 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -64.9 | -16.7 | 177.1 | -120.6 | 99.1 | 11.6 | 0 | 0 | 113.6 | Y135 | Y135-Q137 VanDerWaalsContact C-N 3.32Å; Y135-Q137 PolarHBondContact O-N 2.91Å |
| 138 | R | 49.4 | Very low | 43.9 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -101.1 | -16.9 | -170.8 | -136 | -176.5 | -66.7 | -173 | 0.4 | 114.5 | Y135 A136 | Y135-R138 PolarHBondContact O-N 2.94Å; A136-R138 PolarHBondContact O-N 2.79Å; A136-R138 VanDerWaalsContact O-N 3.16Å |
| 139 | I | 44.7 | Very low | 44.3 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 50% | 0.503 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -91.3 | -28.6 | -176.4 | -63.7 | -81.5 | 0 | 0 | 0 | 111.9 | Y135 | Y135-I139 HydrophobicContact CE1-CD1 4.24Å; Y135-I139 HydrophobicContact CE1-CG1 4.05Å |
| 140 | F | 42 | Very low | 44.4 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -118.9 | 32.7 | -176.7 | -65.7 | -71.1 | 0 | 0 | 0 | 113.9 | Y142 | F140-Y142 VanDerWaalsContact C-N 3.27Å; F140-Y142 PolarHBondContact O-N 3.45Å | ||
| 141 | S | 38 | Very low | 44.1 | Very low | 74 Ų | 74 | 145.5 Ų | 145.5 | 52% | 0.517 | 75% | 0.745 | S | S | . | * | trans | -79.7 | 76.8 | 168 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | H143 | S141-H143 VanDerWaalsContact C-N 3.35Å; S141-H143 PolarHBondContact O-N 3.4Å; S141-H143 VanDerWaalsContact O-N 3.14Å | ||
| 142 | Y | 42.8 | Very low | 44.3 | Very low | 215 Ų | 215 | 145.2 Ų | 145.2 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | trans | -74 | 95.8 | 159.2 | -148.3 | -89.7 | 0 | 0 | 0 | 106.3 | F140 S144 | F140-Y142 VanDerWaalsContact C-N 3.27Å; F140-Y142 PolarHBondContact O-N 3.45Å; Y142-S144 PolarHBondContact O-N 3.21Å | ||
| 143 | H | 44.4 | Very low | 43.6 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | trans | -73.4 | 110.6 | 166.1 | -83.5 | 23.3 | 0 | 0 | 0 | 107 | S141 E145 | S141-H143 VanDerWaalsContact C-N 3.35Å; S141-H143 PolarHBondContact O-N 3.4Å; S141-H143 VanDerWaalsContact O-N 3.14Å; H143-E145 PolarHBondContact O-N 3.3Å | ||
| 144 | S | 43.9 | Very low | 43.8 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -62.9 | 93.8 | 162.4 | -91.4 | 0 | 0 | 0 | 0 | 107.6 | Y142 H146 | Y142-S144 PolarHBondContact O-N 3.21Å; S144-H146 PolarHBondContact O-N 3.41Å; S144-H146 VanDerWaalsContact O-N 3.08Å | ||
| 145 | E | 37.3 | Very low | 43.3 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | trans | -63.2 | 110.4 | 168.7 | -72.6 | -67.7 | 126.3 | 0 | 0 | 107.9 | H143 F147 | H143-E145 PolarHBondContact O-N 3.3Å; E145-F147 PolarHBondContact O-N 3.19Å | ||
| 146 | H | 43 | Very low | 43.3 | Very low | 166 Ų | 166 | 150.4 Ų | 150.4 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -72.7 | 90.5 | 177.4 | -155 | -82.1 | 0 | 0 | 0 | 107.8 | S144 Q148 | S144-H146 PolarHBondContact O-N 3.41Å; S144-H146 VanDerWaalsContact O-N 3.08Å; H146-Q148 PolarHBondContact O-N 3.13Å | ||
| 147 | F | 38.7 | Very low | 43.3 | Very low | 184 Ų | 184 | 155.7 Ų | 155.7 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -67.2 | 97.4 | 175.8 | -163.8 | -93.3 | 0 | 0 | 0 | 109.3 | E145 I149 | E145-F147 PolarHBondContact O-N 3.19Å; F147-I149 HydrophobicContact CD1-CG1 4.13Å; F147-I149 HydrophobicContact CE1-CG1 4.28Å; F147-I149 PolarHBondContact O-N 2.94Å | ||
| 148 | Q | 47 | Very low | 43.2 | Very low | 166 Ų | 166 | 154.9 Ų | 154.9 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -74.3 | 116.3 | 169.9 | -73.1 | -179.2 | -19.2 | 0 | 0 | 108.6 | H146 A150 | H146-Q148 PolarHBondContact O-N 3.13Å; Q148-A150 PolarHBondContact O-N 2.92Å | ||
| 149 | I | 41.5 | Very low | 42.7 | Very low | 148 Ų | 148 | 152.2 Ų | 152.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -74.1 | 114.9 | 166.9 | -60.8 | 170.7 | 0 | 0 | 0 | 106.5 | F147 | F147-I149 HydrophobicContact CD1-CG1 4.13Å; F147-I149 HydrophobicContact CE1-CG1 4.28Å; F147-I149 PolarHBondContact O-N 2.94Å | ||
| 150 | A | 43.9 | Very low | 42.5 | Very low | 93 Ų | 93 | 156.8 Ų | 156.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -69.8 | 133.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q148 | Q148-A150 PolarHBondContact O-N 2.92Š| ||
| 151 | N | 47.9 | Very low | 42.6 | Very low | 242 Ų | 242 | 154.8 Ų | 154.8 | 100% | 1.294 | 79% | 0.793 | S | S | * | * | trans | -62.9 | 0 | 174.1 | -108.8 | -1 | 0 | 0 | 0 | 112.3 |
Retrieved 151 of 151 residues in 39 ms
(Link to these results)