| 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 | 47.2 | Very low | 62.8 | Low | 253 Ų | 253 | 172.8 Ų | 172.8 | 100% | 1.246 | 89% | 0.889 | S | S | * | * | 0 | 102.7 | 0 | -67.3 | 157.7 | 94.7 | 0 | 0 | 108.5 | |||||
| 2 | S | 61.3 | Low | 63 | Low | 120 Ų | 120 | 163.1 Ų | 163.1 | 84% | 0.839 | 86% | 0.863 | S | S | * | * | trans | -138.8 | 116.1 | 173.4 | 61.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | K | 68.9 | Low | 63.5 | Low | 194 Ų | 194 | 166.1 Ų | 166.1 | 84% | 0.843 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 145.6 | -176.4 | -64.1 | 170.8 | 175.8 | 177.7 | 0 | 111.3 | R5 | K3-R5 PolarHBondContact O-N 2.63Š|
| 4 | P | 64.2 | Low | 63.9 | Low | 132 Ų | 132 | 169 Ų | 169 | 86% | 0.857 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 122.5 | 174.6 | 29.6 | -31.3 | 0 | 0 | 0 | 109.4 | G6 | P4-G6 PolarHBondContact O-N 3.26Š|
| 5 | R | 62 | Low | 64.3 | Low | 249 Ų | 249 | 162.7 Ų | 162.7 | 94% | 0.94 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 124.7 | 173.3 | -79.7 | -175.3 | 164.9 | 176.5 | -4.1 | 109.1 | K3 | K3-R5 PolarHBondContact O-N 2.63Š|
| 6 | G | 59.5 | Low | 65.1 | Low | 75 Ų | 75 | 156 Ų | 156 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 137.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | P4 K8 | P4-G6 PolarHBondContact O-N 3.26Å; G6-K8 PolarHBondContact O-N 3.36Å |
| 7 | G | 63.8 | Low | 66.2 | Low | 77 Ų | 77 | 153.5 Ų | 153.5 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 123 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | K9 | G7-K9 PolarHBondContact O-N 2.83Å; G7-K9 VanDerWaalsContact O-N 3.16Å |
| 8 | K | 67.6 | Low | 67 | Low | 203 Ų | 203 | 156.4 Ų | 156.4 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | trans | -55.3 | 114.9 | 166.3 | -90.6 | 175.2 | 169.3 | 178.1 | 0 | 108.9 | G6 K10 | G6-K8 PolarHBondContact O-N 3.36Å; K8-K10 PolarHBondContact O-N 3.39Å; K8-K10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | K | 65.1 | Low | 67.9 | Low | 197 Ų | 197 | 157.1 Ų | 157.1 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | trans | -54.3 | 114.7 | 168.8 | -74.2 | 178.9 | 176.1 | 179.5 | 0 | 108.4 | G7 F11 | G7-K9 PolarHBondContact O-N 2.83Å; G7-K9 VanDerWaalsContact O-N 3.16Å; K9-F11 VanDerWaalsContact C-N 3.27Å; K9-F11 PolarHBondContact O-N 3.48Å | ||
| 10 | K | 66.6 | Low | 68.8 | Low | 208 Ų | 208 | 157.6 Ų | 157.6 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | trans | -71.4 | 85.6 | 170.6 | -65.5 | -166.4 | -179.7 | -175 | 0 | 108 | K8 G12 | K8-K10 PolarHBondContact O-N 3.39Å; K8-K10 VanDerWaalsContact O-N 3.1Å; K10-G12 PolarHBondContact O-N 3.47Å; K10-G12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | F | 64.4 | Low | 69.6 | Low | 193 Ų | 193 | 153.5 Ų | 153.5 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -62.7 | 110.5 | 168.3 | -135.7 | -94.4 | 0 | 0 | 0 | 106.7 | K9 H13 | K9-F11 VanDerWaalsContact C-N 3.27Å; K9-F11 PolarHBondContact O-N 3.48Å; F11-H13 PolarHBondContact O-N 3.36Å | ||
| 12 | G | 64.9 | Low | 71.6 | Confident | 56 Ų | 56 | 144.4 Ų | 144.4 | 58% | 0.577 | 77% | 0.771 | S | S | * | * | trans | -61.3 | 130.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K10 K14 | K10-G12 PolarHBondContact O-N 3.47Å; K10-G12 VanDerWaalsContact O-N 3.12Å; G12-K14 PolarHBondContact O-N 2.94Å | ||
| 13 | H | 69.5 | Low | 72.8 | Confident | 202 Ų | 202 | 146.3 Ų | 146.3 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | trans | -68.7 | 26.8 | 174.9 | -61.3 | -66.3 | 0 | 0 | 0 | 113.8 | F11 | F11-H13 PolarHBondContact O-N 3.36Š| ||
| 14 | K | 69.8 | Low | 73.8 | Confident | 207 Ų | 207 | 142.8 Ų | 142.8 | 90% | 0.9 | 76% | 0.755 | S | S | * | * | trans | -98.3 | 97.5 | -178.1 | -66.6 | -175.4 | 179.6 | -174.7 | 0 | 108.7 | G12 | G12-K14 PolarHBondContact O-N 2.94Š| ||
| 15 | G | 69.7 | Low | 75 | Confident | 74 Ų | 74 | 141 Ų | 141 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | trans | 116.5 | 42.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 16 | G | 77.6 | Confident | 76.2 | Confident | 56 Ų | 56 | 132.7 Ų | 132.7 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 150 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R18 | G16-R18 PolarHBondContact O-N 3.41Š|
| 17 | P | 83.1 | Confident | 77.6 | Confident | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 128.9 | 179 | 20.4 | -30 | 0 | 0 | 0 | 110.3 | ||
| 18 | R | 81.6 | Confident | 79 | Confident | 205 Ų | 205 | 134 Ų | 134 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -87 | 116.4 | 176.4 | -61.7 | 178.2 | 74.6 | -179.9 | 2.8 | 107.6 | G16 | G16-R18 PolarHBondContact O-N 3.41Š|
| 19 | H | 83.3 | Confident | 80.1 | Confident | 169 Ų | 169 | 128.6 Ų | 128.6 | 78% | 0.782 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -86 | 123.1 | 169.3 | -66.6 | -80.6 | 0 | 0 | 0 | 108.6 | ||
| 20 | F | 85.2 | Confident | 81.3 | Confident | 167 Ų | 167 | 125.2 Ų | 125.2 | 73% | 0.732 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 121.3 | 166.2 | -62.3 | -78.5 | 0 | 0 | 0 | 106.7 | S22 | F20-S22 PolarHBondContact O-N 2.81Š|
| 21 | T | 87 | Confident | 82.5 | Confident | 73 Ų | 73 | 121.4 Ų | 121.4 | 45% | 0.448 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 126.7 | 170.7 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | ||
| 22 | S | 88.1 | Confident | 83.7 | Confident | 61 Ų | 61 | 118.9 Ų | 118.9 | 43% | 0.427 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 159.9 | 176.3 | 73.7 | 0 | 0 | 0 | 0 | 110.3 | F20 D24 E25 L26 | F20-S22 PolarHBondContact O-N 2.81Å; S22-D24 PolarHBondContact O-N 3.3Å; S22-E25 PolarHBondContact O-N 3.36Å; S22-E25 WeakPolarHBondContact OG-CB 3.46Å; S22-E25 PolarHBondContact OG-N 2.76Å; S22-E25 VanDerWaalsContact OG-N 3.07Å; S22-L26 PolarHBondContact O-N 2.81Å |
| 23 | F | 86.9 | Confident | 85 | Confident | 161 Ų | 161 | 120.2 Ų | 120.2 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.9 | -37.5 | 175 | -179.9 | -99.7 | 0 | 0 | 0 | 111.6 | L26 K27 | F23-L26 PolarHBondContact O-N 2.81Å; F23-K27 WeakPolarHBondContact O-CB 2.84Å; F23-K27 PolarHBondContact O-N 3.38Å |
| 24 | D | 89.8 | Confident | 85.9 | Confident | 120 Ų | 120 | 117.1 Ų | 117.1 | 64% | 0.642 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.6 | -38.7 | 176.8 | -69.7 | -21.5 | 0 | 0 | 0 | 112 | S22 K27 A28 | S22-D24 PolarHBondContact O-N 3.3Å; D24-K27 PolarHBondContact O-N 3.43Å; D24-A28 WeakPolarHBondContact O-CB 3.49Å; D24-A28 PolarHBondContact O-N 3.13Å |
| 25 | E | 89.4 | Confident | 86.9 | Confident | 95 Ų | 95 | 113 Ų | 113 | 44% | 0.444 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.6 | -40.2 | 176.5 | -170 | 176.2 | -166.7 | 0 | 0 | 111.7 | S22 K27 A28 Q29 | S22-E25 PolarHBondContact O-N 3.36Å; S22-E25 WeakPolarHBondContact OG-CB 3.46Å; S22-E25 PolarHBondContact OG-N 2.76Å; S22-E25 VanDerWaalsContact OG-N 3.07Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.4Å; E25-A28 PolarHBondContact O-N 2.88Å; E25-Q29 WeakPolarHBondContact O-CB 3.18Å; E25-Q29 WeakPolarHBondContact O-CG 3.49Å; E25-Q29 PolarHBondContact O-N 3.03Å |
| 26 | L | 87.1 | Confident | 87.8 | Confident | 74 Ų | 74 | 111.5 Ų | 111.5 | 39% | 0.387 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -40.4 | 172.9 | -79.3 | 168.9 | 0 | 0 | 0 | 111.9 | S22 F23 Q29 Q30 | S22-L26 PolarHBondContact O-N 2.81Å; F23-L26 PolarHBondContact O-N 2.81Å; L26-Q29 PolarHBondContact O-N 3.5Å; L26-Q30 WeakPolarHBondContact O-CG 3.41Å; L26-Q30 PolarHBondContact O-N 3.46Å |
| 27 | K | 90.1 | Very high | 88.3 | Confident | 123 Ų | 123 | 117 Ų | 117 | 54% | 0.535 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.8 | -43.2 | 176.6 | -170.4 | -176 | 177.8 | -170.3 | 0 | 111.4 | F23 D24 E25 Q29 Q30 E31 | F23-K27 WeakPolarHBondContact O-CB 2.84Å; F23-K27 PolarHBondContact O-N 3.38Å; D24-K27 PolarHBondContact O-N 3.43Å; E25-K27 VanDerWaalsContact C-N 3.32Å; E25-K27 PolarHBondContact O-N 3.4Å; K27-Q29 VanDerWaalsContact C-N 3.34Å; K27-Q29 PolarHBondContact O-N 2.9Å; K27-Q30 PolarHBondContact O-N 2.84Å; K27-E31 PolarHBondContact O-N 3.41Å |
| 28 | A | 91.3 | Very high | 88.3 | Confident | 55 Ų | 55 | 116.7 Ų | 116.7 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D24 E25 Q30 E31 E32 | D24-A28 WeakPolarHBondContact O-CB 3.49Å; D24-A28 PolarHBondContact O-N 3.13Å; E25-A28 PolarHBondContact O-N 2.88Å; A28-Q30 PolarHBondContact O-N 3.46Å; A28-E31 PolarHBondContact O-N 3.26Å; A28-E32 WeakPolarHBondContact O-CB 3.49Å; A28-E32 PolarHBondContact O-N 3.25Å |
| 29 | Q | 90.8 | Very high | 88.3 | Confident | 90 Ų | 90 | 114.4 Ų | 114.4 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -40.4 | 175 | -74.8 | 178.7 | 7.8 | 0 | 0 | 112.2 | E25 L26 K27 E32 V33 | E25-Q29 WeakPolarHBondContact O-CB 3.18Å; E25-Q29 WeakPolarHBondContact O-CG 3.49Å; E25-Q29 PolarHBondContact O-N 3.03Å; L26-Q29 PolarHBondContact O-N 3.5Å; K27-Q29 VanDerWaalsContact C-N 3.34Å; K27-Q29 PolarHBondContact O-N 2.9Å; Q29-E32 PolarHBondContact O-N 3.3Å; Q29-V33 VanDerWaalsContact O-CG2 3.3Å; Q29-V33 WeakPolarHBondContact O-CG2 3.35Å; Q29-V33 PolarHBondContact O-N 3Å |
| 30 | Q | 90.4 | Very high | 88.2 | Confident | 127 Ų | 127 | 110.8 Ų | 110.8 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 175.2 | -75.3 | 178.8 | -11.1 | 0 | 0 | 111.7 | L26 K27 A28 E32 V33 E34 | L26-Q30 WeakPolarHBondContact O-CG 3.41Å; L26-Q30 PolarHBondContact O-N 3.46Å; K27-Q30 PolarHBondContact O-N 2.84Å; A28-Q30 PolarHBondContact O-N 3.46Å; Q30-E32 VanDerWaalsContact C-N 3.32Å; Q30-E32 PolarHBondContact O-N 3.21Å; Q30-V33 PolarHBondContact O-N 3.49Å; Q30-E34 WeakPolarHBondContact O-CG 3.21Å; Q30-E34 PolarHBondContact O-N 2.89Å |
| 31 | E | 91.6 | Very high | 87.8 | Confident | 128 Ų | 128 | 106.8 Ų | 106.8 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.4 | -39 | 177.4 | -173.3 | 177.1 | 168.7 | 0 | 0 | 111.8 | K27 A28 E34 K35 | K27-E31 PolarHBondContact O-N 3.41Å; A28-E31 PolarHBondContact O-N 3.26Å; E31-E34 PolarHBondContact O-N 3.38Å; E31-K35 VanDerWaalsContact O-CB 3.24Å; E31-K35 WeakPolarHBondContact O-CB 3.19Å; E31-K35 PolarHBondContact O-N 2.91Å |
| 32 | E | 90.7 | Very high | 87.4 | Confident | 140 Ų | 140 | 107 Ų | 107 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -44 | 175.5 | -174.4 | 174 | -165 | 0 | 0 | 111.9 | A28 Q29 Q30 K35 A36 | A28-E32 WeakPolarHBondContact O-CB 3.49Å; A28-E32 PolarHBondContact O-N 3.25Å; Q29-E32 PolarHBondContact O-N 3.3Å; Q30-E32 VanDerWaalsContact C-N 3.32Å; Q30-E32 PolarHBondContact O-N 3.21Å; E32-K35 PolarHBondContact O-N 2.91Å; E32-A36 WeakPolarHBondContact O-CB 3.44Å; E32-A36 PolarHBondContact O-N 3.21Å |
| 33 | V | 91.2 | Very high | 86.8 | Confident | 83 Ų | 83 | 110.3 Ų | 110.3 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | Q29 Q30 A36 R37 | Q29-V33 VanDerWaalsContact O-CG2 3.3Å; Q29-V33 WeakPolarHBondContact O-CG2 3.35Å; Q29-V33 PolarHBondContact O-N 3Å; Q30-V33 PolarHBondContact O-N 3.49Å; V33-A36 PolarHBondContact O-N 2.79Å; V33-R37 WeakPolarHBondContact O-CG 3.13Å; V33-R37 PolarHBondContact O-N 3.5Å |
| 34 | E | 88.9 | Confident | 86.2 | Confident | 137 Ų | 137 | 107.3 Ų | 107.3 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 175.7 | -74.3 | -178.3 | 178.2 | 0 | 0 | 111.9 | Q30 E31 R37 H38 | Q30-E34 WeakPolarHBondContact O-CG 3.21Å; Q30-E34 PolarHBondContact O-N 2.89Å; E31-E34 PolarHBondContact O-N 3.38Å; E34-R37 PolarHBondContact O-N 3.24Å; E34-H38 PolarHBondContact O-N 3.41Å |
| 35 | K | 90.3 | Very high | 85.5 | Confident | 122 Ų | 122 | 106.3 Ų | 106.3 | 53% | 0.53 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 175.8 | -171.4 | 177.3 | -174.1 | 176.5 | 0 | 112 | E31 E32 H38 R39 | E31-K35 VanDerWaalsContact O-CB 3.24Å; E31-K35 WeakPolarHBondContact O-CB 3.19Å; E31-K35 PolarHBondContact O-N 2.91Å; E32-K35 PolarHBondContact O-N 2.91Å; K35-H38 PolarHBondContact O-N 2.8Å; K35-R39 WeakPolarHBondContact O-CG 3.12Å; K35-R39 PolarHBondContact O-N 2.95Å; K35-R39 VanDerWaalsContact O-N 3.08Å |
| 36 | A | 90.1 | Very high | 84.6 | Confident | 42 Ų | 42 | 104.6 Ų | 104.6 | 35% | 0.347 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -46.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E32 V33 H38 R39 D40 | E32-A36 WeakPolarHBondContact O-CB 3.44Å; E32-A36 PolarHBondContact O-N 3.21Å; V33-A36 PolarHBondContact O-N 2.79Å; A36-H38 VanDerWaalsContact C-N 3.35Å; A36-H38 PolarHBondContact O-N 2.8Å; A36-R39 WeakPolarHBondContact O-CB 3.11Å; A36-R39 PolarHBondContact O-N 2.87Å; A36-D40 PolarHBondContact O-N 2.91Å |
| 37 | R | 87.3 | Confident | 84 | Confident | 170 Ų | 170 | 109.1 Ų | 109.1 | 64% | 0.642 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60 | -41.2 | 175.3 | -76 | 177.6 | 163.6 | -156 | -6 | 113.1 | V33 E34 R39 D40 E41 | V33-R37 WeakPolarHBondContact O-CG 3.13Å; V33-R37 PolarHBondContact O-N 3.5Å; E34-R37 PolarHBondContact O-N 3.24Å; R37-R39 VanDerWaalsContact C-N 3.34Å; R37-D40 PolarHBondContact O-N 3.32Å; R37-E41 WeakPolarHBondContact O-CB 3.26Å; R37-E41 WeakPolarHBondContact O-CG 3.38Å; R37-E41 PolarHBondContact O-N 3.35Å |
| 38 | H | 82.3 | Confident | 83 | Confident | 108 Ų | 108 | 107.5 Ų | 107.5 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -38.5 | 177.4 | -168.2 | -69.9 | 0 | 0 | 0 | 111.9 | E34 K35 A36 E41 D42 | E34-H38 PolarHBondContact O-N 3.41Å; K35-H38 PolarHBondContact O-N 2.8Å; A36-H38 VanDerWaalsContact C-N 3.35Å; A36-H38 PolarHBondContact O-N 2.8Å; H38-E41 PolarHBondContact O-N 3.1Å; H38-D42 IonicContact CE1-OD1 3.73Å; H38-D42 PolarHBondContact CE1-OD1 3.46Å; H38-D42 IonicContact CE1-OD2 3.37Å; H38-D42 PolarHBondContact CE1-OD2 3.26Å; H38-D42 IonicContact ND1-OD1 3.41Å; H38-D42 IonicContact ND1-OD2 3.69Å; H38-D42 PolarHBondContact ND1-OD2 2.85Å; H38-D42 WeakPolarHBondContact O-CB 3.33Å; H38-D42 VanDerWaalsContact O-CG 3.27Å; H38-D42 PolarHBondContact O-N 3.07Å |
| 39 | R | 81.7 | Confident | 81.7 | Confident | 157 Ų | 157 | 111 Ų | 111 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -45.1 | 174.5 | -71.9 | 170.5 | 176.4 | 167.9 | -4.6 | 111.6 | K35 A36 R37 E41 D42 E43 | K35-R39 WeakPolarHBondContact O-CG 3.12Å; K35-R39 PolarHBondContact O-N 2.95Å; K35-R39 VanDerWaalsContact O-N 3.08Å; A36-R39 WeakPolarHBondContact O-CB 3.11Å; A36-R39 PolarHBondContact O-N 2.87Å; R37-R39 VanDerWaalsContact C-N 3.34Å; R39-E41 VanDerWaalsContact C-N 3.34Å; R39-D42 PolarHBondContact O-N 3.36Å; R39-E43 WeakPolarHBondContact O-CB 3.35Å; R39-E43 PolarHBondContact O-N 3.18Å |
| 40 | D | 81.1 | Confident | 80.5 | Confident | 93 Ų | 93 | 111.2 Ų | 111.2 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 177.1 | -63.4 | -20.6 | 0 | 0 | 0 | 110.8 | A36 R37 E43 I44 | A36-D40 PolarHBondContact O-N 2.91Å; R37-D40 PolarHBondContact O-N 3.32Å; D40-E43 PolarHBondContact O-N 3.29Å; D40-I44 WeakPolarHBondContact O-CB 3.43Å; D40-I44 WeakPolarHBondContact O-CD1 3.38Å; D40-I44 WeakPolarHBondContact O-CG1 3.42Å; D40-I44 PolarHBondContact O-N 3.21Å |
| 41 | E | 78 | Confident | 79.1 | Confident | 83 Ų | 83 | 109.7 Ų | 109.7 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 174.6 | -75.3 | -172.3 | -175.6 | 0 | 0 | 111.4 | R37 H38 R39 I44 L45 K133 | R37-E41 WeakPolarHBondContact O-CB 3.26Å; R37-E41 WeakPolarHBondContact O-CG 3.38Å; R37-E41 PolarHBondContact O-N 3.35Å; H38-E41 PolarHBondContact O-N 3.1Å; R39-E41 VanDerWaalsContact C-N 3.34Å; E41-I44 PolarHBondContact O-N 3.32Å; E41-L45 WeakPolarHBondContact O-CB 3.35Å; E41-L45 VanDerWaalsContact O-CG 3.23Å; E41-L45 WeakPolarHBondContact O-CG 3.37Å; E41-L45 PolarHBondContact O-N 3.05Å; E41-K133 IonicContact OE2-NZ 3.94Å |
| 42 | D | 77.3 | Confident | 77.6 | Confident | 77 Ų | 77 | 110.6 Ų | 110.6 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 176.3 | -71.2 | -30.1 | 0 | 0 | 0 | 112.5 | H38 R39 L45 S46 | H38-D42 IonicContact CE1-OD1 3.73Å; H38-D42 PolarHBondContact CE1-OD1 3.46Å; H38-D42 IonicContact CE1-OD2 3.37Å; H38-D42 PolarHBondContact CE1-OD2 3.26Å; H38-D42 IonicContact ND1-OD1 3.41Å; H38-D42 IonicContact ND1-OD2 3.69Å; H38-D42 PolarHBondContact ND1-OD2 2.85Å; H38-D42 WeakPolarHBondContact O-CB 3.33Å; H38-D42 VanDerWaalsContact O-CG 3.27Å; H38-D42 PolarHBondContact O-N 3.07Å; R39-D42 PolarHBondContact O-N 3.36Å; D42-L45 PolarHBondContact O-N 3.26Å; D42-S46 VanDerWaalsContact O-CB 3.31Å; D42-S46 WeakPolarHBondContact O-CB 3.26Å; D42-S46 PolarHBondContact O-N 3.43Å; D42-S46 PolarHBondContact O-OG 3Å |
| 43 | E | 76.3 | Confident | 76 | Confident | 132 Ų | 132 | 109.5 Ų | 109.5 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | 175.7 | -168.1 | 179 | 164.8 | 0 | 0 | 111.1 | R39 D40 S46 R47 | R39-E43 WeakPolarHBondContact O-CB 3.35Å; R39-E43 PolarHBondContact O-N 3.18Å; D40-E43 PolarHBondContact O-N 3.29Å; E43-S46 WeakPolarHBondContact CA-OG 3.31Å; E43-S46 PolarHBondContact O-OG 2.9Å; E43-R47 VanDerWaalsContact O-CB 3.28Å; E43-R47 WeakPolarHBondContact O-CB 3.37Å; E43-R47 PolarHBondContact O-N 3.46Å |
| 44 | I | 74.1 | Confident | 74.5 | Confident | 98 Ų | 98 | 113.4 Ų | 113.4 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -46.8 | 175 | -66.4 | 163.5 | 0 | 0 | 0 | 110.4 | D40 E41 S46 R47 D48 | D40-I44 WeakPolarHBondContact O-CB 3.43Å; D40-I44 WeakPolarHBondContact O-CD1 3.38Å; D40-I44 WeakPolarHBondContact O-CG1 3.42Å; D40-I44 PolarHBondContact O-N 3.21Å; E41-I44 PolarHBondContact O-N 3.32Å; I44-S46 PolarHBondContact O-N 2.95Å; I44-R47 PolarHBondContact O-N 3.37Å; I44-D48 PolarHBondContact O-N 3.38Å |
| 45 | L | 74.9 | Confident | 73.1 | Confident | 99 Ų | 99 | 112.7 Ų | 112.7 | 52% | 0.518 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 179.6 | -71.3 | 173.2 | 0 | 0 | 0 | 112.3 | E41 D42 D48 Q49 | E41-L45 WeakPolarHBondContact O-CB 3.35Å; E41-L45 VanDerWaalsContact O-CG 3.23Å; E41-L45 WeakPolarHBondContact O-CG 3.37Å; E41-L45 PolarHBondContact O-N 3.05Å; D42-L45 PolarHBondContact O-N 3.26Å; L45-D48 PolarHBondContact O-N 3.25Å; L45-Q49 WeakPolarHBondContact O-CG 3.38Å; L45-Q49 PolarHBondContact O-N 3.47Å |
| 46 | S | 71.2 | Confident | 71.5 | Confident | 58 Ų | 58 | 115.1 Ų | 115.1 | 41% | 0.406 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.2 | -32 | 176.2 | 59 | 0 | 0 | 0 | 0 | 112.6 | D42 E43 I44 N50 | D42-S46 VanDerWaalsContact O-CB 3.31Å; D42-S46 WeakPolarHBondContact O-CB 3.26Å; D42-S46 PolarHBondContact O-N 3.43Å; D42-S46 PolarHBondContact O-OG 3Å; E43-S46 WeakPolarHBondContact CA-OG 3.31Å; E43-S46 PolarHBondContact O-OG 2.9Å; I44-S46 PolarHBondContact O-N 2.95Å; S46-N50 PolarHBondContact O-N 3.31Å; S46-N50 PolarHBondContact O-ND2 3.36Å |
| 47 | R | 73.5 | Confident | 70.1 | Confident | 170 Ų | 170 | 118 Ų | 118 | 64% | 0.642 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.5 | -39.7 | 172.6 | -172 | 179.6 | -178.8 | 128.1 | -1.4 | 112.1 | E43 I44 N50 Q51 | E43-R47 VanDerWaalsContact O-CB 3.28Å; E43-R47 WeakPolarHBondContact O-CB 3.37Å; E43-R47 PolarHBondContact O-N 3.46Å; I44-R47 PolarHBondContact O-N 3.37Å; R47-N50 PolarHBondContact O-N 2.94Å; R47-Q51 PolarHBondContact O-N 2.82Å |
| 48 | D | 69.2 | Low | 68.8 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 47% | 0.471 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.4 | -42 | 177.8 | -84.7 | -1.6 | 0 | 0 | 0 | 111.6 | I44 L45 N50 Q51 E52 | I44-D48 PolarHBondContact O-N 3.38Å; L45-D48 PolarHBondContact O-N 3.25Å; D48-N50 VanDerWaalsContact C-N 3.28Å; D48-N50 PolarHBondContact O-N 2.83Å; D48-Q51 WeakPolarHBondContact O-CA 3.24Å; D48-Q51 PolarHBondContact O-N 3.42Å; D48-E52 PolarHBondContact O-N 3.4Å |
| 49 | Q | 65.8 | Low | 67.7 | Low | 128 Ų | 128 | 120 Ų | 120 | 60% | 0.598 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.5 | -39.4 | 173.1 | -73.2 | 179.9 | 26.2 | 0 | 0 | 112.2 | L45 Q51 E52 L53 | L45-Q49 WeakPolarHBondContact O-CG 3.38Å; L45-Q49 PolarHBondContact O-N 3.47Å; Q49-Q51 VanDerWaalsContact C-N 3.3Å; Q49-Q51 PolarHBondContact O-N 3.39Å; Q49-E52 PolarHBondContact O-N 3.05Å; Q49-L53 WeakPolarHBondContact O-CG 3.35Å; Q49-L53 PolarHBondContact O-N 3.45Å |
| 50 | N | 63.7 | Low | 66.8 | Low | 95 Ų | 95 | 120.4 Ų | 120.4 | 51% | 0.508 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.3 | -27.3 | 174.6 | -90.9 | -49.4 | 0 | 0 | 0 | 113.4 | S46 R47 D48 R54 | S46-N50 PolarHBondContact O-N 3.31Å; S46-N50 PolarHBondContact O-ND2 3.36Å; R47-N50 PolarHBondContact O-N 2.94Å; D48-N50 VanDerWaalsContact C-N 3.28Å; D48-N50 PolarHBondContact O-N 2.83Å; N50-R54 WeakPolarHBondContact O-CD 3.45Å; N50-R54 VanDerWaalsContact O-CG 3.22Å; N50-R54 WeakPolarHBondContact O-CG 3.22Å; N50-R54 PolarHBondContact O-N 3Å |
| 51 | Q | 61.5 | Low | 65.6 | Low | 95 Ų | 95 | 122 Ų | 122 | 44% | 0.444 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -76.8 | -40.6 | 173.2 | -75.8 | -178.9 | 71.9 | 0 | 0 | 111.4 | R47 D48 Q49 L53 R54 I55 | R47-Q51 PolarHBondContact O-N 2.82Å; D48-Q51 WeakPolarHBondContact O-CA 3.24Å; D48-Q51 PolarHBondContact O-N 3.42Å; Q49-Q51 VanDerWaalsContact C-N 3.3Å; Q49-Q51 PolarHBondContact O-N 3.39Å; Q51-L53 VanDerWaalsContact C-N 3.34Å; Q51-L53 PolarHBondContact O-N 3.5Å; Q51-R54 WeakPolarHBondContact O-CB 3.47Å; Q51-R54 PolarHBondContact O-N 3.05Å; Q51-I55 WeakPolarHBondContact O-CG1 3.19Å; Q51-I55 PolarHBondContact O-N 2.95Å; Q51-I55 VanDerWaalsContact O-N 3.1Å |
| 52 | E | 59.8 | Low | 64.6 | Low | 147 Ų | 147 | 127 Ų | 127 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.3 | -40.7 | 178.1 | -134.1 | 177.5 | -177.2 | 0 | 0 | 111.7 | D48 Q49 R54 I55 | D48-E52 PolarHBondContact O-N 3.4Å; Q49-E52 PolarHBondContact O-N 3.05Å; E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 3.33Å; E52-I55 PolarHBondContact O-N 3.41Å |
| 53 | L | 57.2 | Low | 63.5 | Low | 117 Ų | 117 | 133 Ų | 133 | 61% | 0.613 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.9 | -34.7 | 172.3 | -70.8 | 170.2 | 0 | 0 | 0 | 112.4 | Q49 Q51 H56 | Q49-L53 WeakPolarHBondContact O-CG 3.35Å; Q49-L53 PolarHBondContact O-N 3.45Å; Q51-L53 VanDerWaalsContact C-N 3.34Å; Q51-L53 PolarHBondContact O-N 3.5Å; L53-H56 PolarHBondContact O-N 2.87Å |
| 54 | R | 59.5 | Low | 62.1 | Low | 165 Ų | 165 | 133.1 Ų | 133.1 | 62% | 0.623 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.6 | -26.7 | 179 | -79.4 | 175.4 | -179.8 | -174.4 | 3.3 | 113.7 | N50 Q51 E52 H56 F58 | N50-R54 WeakPolarHBondContact O-CD 3.45Å; N50-R54 VanDerWaalsContact O-CG 3.22Å; N50-R54 WeakPolarHBondContact O-CG 3.22Å; N50-R54 PolarHBondContact O-N 3Å; Q51-R54 WeakPolarHBondContact O-CB 3.47Å; Q51-R54 PolarHBondContact O-N 3.05Å; E52-R54 VanDerWaalsContact C-N 3.31Å; E52-R54 PolarHBondContact O-N 3.33Å; R54-H56 VanDerWaalsContact C-N 3.29Å; R54-F58 VanDerWaalsContact O-CD2 3.26Å; R54-F58 WeakPolarHBondContact O-CD2 3.28Å; R54-F58 WeakPolarHBondContact O-CE2 3.48Å |
| 55 | I | 60.3 | Low | 61.1 | Low | 122 Ų | 122 | 133.1 Ų | 133.1 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.3 | -29.3 | 179.3 | -64.7 | 165.1 | 0 | 0 | 0 | 110.7 | Q51 E52 D57 | Q51-I55 WeakPolarHBondContact O-CG1 3.19Å; Q51-I55 PolarHBondContact O-N 2.95Å; Q51-I55 VanDerWaalsContact O-N 3.1Å; E52-I55 PolarHBondContact O-N 3.41Å; I55-D57 PolarHBondContact O-N 3.47Å |
| 56 | H | 57.8 | Low | 59.8 | Low | 173 Ų | 173 | 136.1 Ų | 136.1 | 80% | 0.801 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -8.9 | -178.8 | -122.4 | -63.6 | 0 | 0 | 0 | 115.1 | L53 R54 | L53-H56 PolarHBondContact O-N 2.87Å; R54-H56 VanDerWaalsContact C-N 3.29Å |
| 57 | D | 60.4 | Low | 58.9 | Low | 102 Ų | 102 | 138 Ų | 138 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | 7.9 | -175.9 | -81.9 | -36.4 | 0 | 0 | 0 | 114.5 | I55 D59 K60 | I55-D57 PolarHBondContact O-N 3.47Å; D57-D59 VanDerWaalsContact C-N 3.26Å; D57-D59 PolarHBondContact O-N 2.89Å; D57-K60 PolarHBondContact O-N 2.87Å |
| 58 | F | 59 | Low | 57.6 | Low | 152 Ų | 152 | 134.1 Ų | 134.1 | 67% | 0.667 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -9.9 | -175.5 | -89.8 | -83.4 | 0 | 0 | 0 | 115.7 | R54 | R54-F58 VanDerWaalsContact O-CD2 3.26Å; R54-F58 WeakPolarHBondContact O-CD2 3.28Å; R54-F58 WeakPolarHBondContact O-CE2 3.48Å |
| 59 | D | 60.6 | Low | 56.6 | Low | 170 Ų | 170 | 142 Ų | 142 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 6.4 | 178.1 | -84.1 | -25.8 | 0 | 0 | 0 | 114.9 | D57 | D57-D59 VanDerWaalsContact C-N 3.26Å; D57-D59 PolarHBondContact O-N 2.89Å |
| 60 | K | 61.4 | Low | 55.8 | Low | 165 Ų | 165 | 141.6 Ų | 141.6 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -108.9 | 122.6 | 179.3 | -146.6 | 161.1 | -172.3 | 173.7 | 0 | 111.8 | D57 R62 | D57-K60 PolarHBondContact O-N 2.87Å; K60-R62 PolarHBondContact O-N 3.33Å |
| 61 | P | 56.6 | Low | 54.9 | Low | 125 Ų | 125 | 144.7 Ų | 144.7 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -62.1 | 114.6 | 176.5 | 24.4 | -31.9 | 0 | 0 | 0 | 109.5 | K63 | P61-K63 PolarHBondContact O-N 3.41Š| ||
| 62 | R | 56 | Low | 54.3 | Low | 189 Ų | 189 | 145.5 Ų | 145.5 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -66.9 | 115.2 | -179.7 | -70.2 | -179.3 | -178 | -142.2 | -0.8 | 109.9 | K60 V64 | K60-R62 PolarHBondContact O-N 3.33Å; R62-V64 PolarHBondContact O-N 3.12Å | ||
| 63 | K | 54.5 | Low | 53.5 | Low | 202 Ų | 202 | 143.6 Ų | 143.6 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -75.6 | 112.1 | 159.7 | -151.1 | 175 | -172.5 | 179.4 | 0 | 106.5 | P61 A65 | P61-K63 PolarHBondContact O-N 3.41Å; K63-A65 PolarHBondContact O-N 2.93Å | ||
| 64 | V | 48 | Very low | 52.8 | Low | 136 Ų | 136 | 142.9 Ų | 142.9 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -64.3 | 117.9 | 173.3 | -72.8 | 0 | 0 | 0 | 0 | 108.7 | R62 | R62-V64 PolarHBondContact O-N 3.12Š| ||
| 65 | A | 53.1 | Low | 52 | Low | 97 Ų | 97 | 138.6 Ų | 138.6 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -125.1 | 111.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107 | K63 | K63-A65 PolarHBondContact O-N 2.93Š| ||
| 66 | D | 46.3 | Very low | 51.3 | Low | 163 Ų | 163 | 140.2 Ų | 140.2 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -55.6 | 135.8 | 164.5 | -65.9 | -67.2 | 0 | 0 | 0 | 110.7 | ||||
| 67 | A | 51.8 | Low | 50.5 | Low | 96 Ų | 96 | 137.8 Ų | 137.8 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | 171 | 122.7 | 132.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 68 | A | 46.6 | Very low | 49.7 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | trans | 37.7 | 110.5 | 140.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 69 | R | 49.4 | Very low | 49 | Very low | 254 Ų | 254 | 143.5 Ų | 143.5 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | 36 | 90.8 | 68.8 | -65.4 | -153.2 | -178.2 | -152.7 | 1.7 | 114.6 | |||||
| 70 | S | 49.3 | Very low | 48 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -154.8 | 103.3 | 138.9 | 63.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 71 | D | 44.2 | Very low | 47.1 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | -66.4 | 164.4 | 154.8 | -176.1 | 15.7 | 0 | 0 | 0 | 109.7 | ||||
| 72 | S | 48.5 | Very low | 46.6 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | 101.6 | 114.1 | 168.2 | -158.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 73 | S | 42.4 | Very low | 46.3 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 150.1 | 82.4 | 139.8 | -178.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 74 | S | 43.5 | Very low | 45.6 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | 39.9 | 108.1 | 86.4 | -167 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 75 | G | 41.7 | Very low | 45.5 | Very low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -144.2 | 76.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 76 | E | 46.1 | Very low | 45.1 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | trans | -58.8 | 123.7 | 165.1 | -62.6 | -84.6 | 141.7 | 0 | 0 | 108.6 | ||||
| 77 | S | 42 | Very low | 45 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -126.6 | 92 | 164.5 | -70.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 78 | E | 42.5 | Very low | 44.9 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -72.6 | 125.6 | 159.4 | -53.8 | -162.1 | 165.1 | 0 | 0 | 108.1 | ||||
| 79 | E | 44.5 | Very low | 45.4 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | trans | -136 | 114.7 | 150.9 | -161.4 | 153.8 | -175 | 0 | 0 | 109.4 | ||||
| 80 | S | 39.9 | Very low | 45.5 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -78.4 | 173.7 | -178.9 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 81 | S | 43.3 | Very low | 46.2 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | trans | 83.8 | 137.3 | 153 | -141.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 82 | D | 45.9 | Very low | 47.4 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 68% | 0.684 | 72% | 0.718 | S | S | * | * | cis | -172.8 | -175.6 | -11.3 | -177.5 | 15.3 | 0 | 0 | 0 | 103.3 | ||||
| 83 | D | 48.2 | Very low | 48.3 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 68% | 0.684 | 72% | 0.716 | S | S | * | * | trans | 99.7 | 74.2 | 164.3 | -69.9 | -68.8 | 0 | 0 | 0 | 117.5 | K90 | D83-K90 PolarHBondContact O-NZ 3.37Š| ||
| 84 | E | 41 | Very low | 49.3 | Very low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | 17.2 | 139.9 | 100.6 | -77.1 | -78.3 | 160.8 | 0 | 0 | 117.4 | K90 | E84-K90 PolarHBondContact O-NZ 3.38Š| |||
| 85 | D | 46.2 | Very low | 50.5 | Low | 102 Ų | 102 | 127.4 Ų | 127.4 | 55% | 0.545 | 71% | 0.712 | S | S | . | * | trans | 132.5 | 108.9 | 165.3 | -103.1 | -29.5 | 0 | 0 | 0 | 112.3 | K90 | D85-K90 HydrophobicContact CB-CD 4.39Å; D85-K90 WeakPolarHBondContact O-CD 3.46Å; D85-K90 WeakPolarHBondContact O-CE 3.42Å; D85-K90 PolarHBondContact O-NZ 3.35Å | ||
| 86 | T | 43.7 | Very low | 52 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 63% | 0.626 | 70% | 0.704 | S | S | * | * | 33.6 | 115.4 | 115.7 | 74.8 | 0 | 0 | 0 | 0 | 118.3 | K88 K90 | T86-K88 PolarHBondContact O-N 2.98Å; T86-K90 WeakPolarHBondContact O-CG 3.28Å | |||
| 87 | G | 43.9 | Very low | 53.4 | Low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | trans | -60.5 | 124.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 88 | K | 50.6 | Low | 55.1 | Low | 203 Ų | 203 | 128.6 Ų | 128.6 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | S | Bend | -143.7 | 56.1 | 126.1 | -59.8 | -177.3 | -175 | 164.6 | 0 | 108.5 | T86 | T86-K88 PolarHBondContact O-N 2.98Š| |
| 89 | H | 56.5 | Low | 56.9 | Low | 148 Ų | 148 | 128.4 Ų | 128.4 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | trans | 43.5 | 94.1 | -158.7 | -63.1 | -65.3 | 0 | 0 | 0 | 112.9 | H94 | H89-H94 WeakPolarHBondContact CB-CE1 3.18Å; H89-H94 AromaticContact CD2-NE2 3.77Å; H89-H94 AromaticContact CG-CE1 3.63Å; H89-H94 AromaticContact CG-NE2 3.63Å | ||
| 90 | K | 51.9 | Low | 58.7 | Low | 100 Ų | 100 | 123 Ų | 123 | 44% | 0.435 | 67% | 0.665 | S | S | . | * | trans | -70 | 136.5 | -178.3 | -58.3 | 168.1 | 102.1 | 176.6 | 0 | 111.8 | D83 E84 D85 T86 | D83-K90 PolarHBondContact O-NZ 3.37Å; E84-K90 PolarHBondContact O-NZ 3.38Å; D85-K90 HydrophobicContact CB-CD 4.39Å; D85-K90 WeakPolarHBondContact O-CD 3.46Å; D85-K90 WeakPolarHBondContact O-CE 3.42Å; D85-K90 PolarHBondContact O-NZ 3.35Å; T86-K90 WeakPolarHBondContact O-CG 3.28Å | ||
| 91 | G | 65 | Low | 60.7 | Low | 58 Ų | 58 | 124.1 Ų | 124.1 | 60% | 0.598 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 102.4 | 169.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q93 | G91-Q93 PolarHBondContact O-N 3.44Š|
| 92 | V | 67.5 | Low | 62.7 | Low | 99 Ų | 99 | 125.4 Ų | 125.4 | 60% | 0.6 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -68.8 | 0.3 | -177.9 | -164.3 | 0 | 0 | 0 | 0 | 112.6 | H94 L95 | V92-H94 PolarHBondContact O-N 3.27Å; V92-L95 HydrophobicContact CG1-CB 3.71Å; V92-L95 HydrophobicContact CG1-CD2 4.12Å; V92-L95 WeakPolarHBondContact O-CB 3.49Å; V92-L95 PolarHBondContact O-N 2.89Å |
| 93 | Q | 67.4 | Low | 64.5 | Low | 156 Ų | 156 | 126.1 Ų | 126.1 | 73% | 0.729 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -57.6 | -20.1 | -175.9 | -67 | -176.3 | 0.8 | 0 | 0 | 114.4 | G91 | G91-Q93 PolarHBondContact O-N 3.44Š|
| 94 | H | 64.2 | Low | 65.7 | Low | 123 Ų | 123 | 131 Ų | 131 | 57% | 0.569 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -98.7 | -11.9 | 178.3 | -63.8 | 67.5 | 0 | 0 | 0 | 113.3 | H89 V92 I96 | H89-H94 WeakPolarHBondContact CB-CE1 3.18Å; H89-H94 AromaticContact CD2-NE2 3.77Å; H89-H94 AromaticContact CG-CE1 3.63Å; H89-H94 AromaticContact CG-NE2 3.63Å; V92-H94 PolarHBondContact O-N 3.27Å; H94-I96 VanDerWaalsContact C-N 3.35Å |
| 95 | L | 69.9 | Low | 67.4 | Low | 152 Ų | 152 | 128.3 Ų | 128.3 | 80% | 0.796 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -13.8 | -176.3 | -141.7 | 72.3 | 0 | 0 | 0 | 112.5 | V92 | V92-L95 HydrophobicContact CG1-CB 3.71Å; V92-L95 HydrophobicContact CG1-CD2 4.12Å; V92-L95 WeakPolarHBondContact O-CB 3.49Å; V92-L95 PolarHBondContact O-N 2.89Å |
| 96 | I | 71.9 | Confident | 69 | Low | 118 Ų | 118 | 130.1 Ų | 130.1 | 61% | 0.605 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -117.1 | 119.3 | -179.8 | -55.9 | 174.2 | 0 | 0 | 0 | 107.9 | H94 I98 | H94-I96 VanDerWaalsContact C-N 3.35Å; I96-I98 PolarHBondContact O-N 2.9Å |
| 97 | E | 75.7 | Confident | 70.4 | Confident | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -65.6 | 114.7 | 171.2 | -65.1 | -178.5 | -175 | 0 | 0 | 108.8 | E99 | E97-E99 PolarHBondContact O-N 2.98Š| ||
| 98 | I | 77.9 | Confident | 71.9 | Confident | 92 Ų | 92 | 135.7 Ų | 135.7 | 47% | 0.472 | 69% | 0.689 | S | S | . | * | trans | -79.1 | 90.1 | 179 | -55.7 | 170.4 | 0 | 0 | 0 | 108.6 | I96 N100 | I96-I98 PolarHBondContact O-N 2.9Å; I98-N100 HydrophobicContact CG2-CB 3.85Å; I98-N100 PolarHBondContact O-N 2.8Å; I98-N100 VanDerWaalsContact O-N 3.07Å | ||
| 99 | E | 79.8 | Confident | 73 | Confident | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -79.2 | 53.5 | 169.2 | -64.6 | -170.9 | 157.1 | 0 | 0 | 111.7 | E97 P101 | E97-E99 PolarHBondContact O-N 2.98Å; E99-P101 VanDerWaalsContact O-CD 3.3Å; E99-P101 WeakPolarHBondContact O-CD 3.39Å | ||
| 100 | N | 83.4 | Confident | 73.8 | Confident | 85 Ų | 85 | 135.6 Ų | 135.6 | 46% | 0.455 | 69% | 0.686 | S | S | . | * | trans | -91.6 | 110.9 | 173.8 | -177.5 | -16.1 | 0 | 0 | 0 | 109.5 | I98 N102 R103 | I98-N100 HydrophobicContact CG2-CB 3.85Å; I98-N100 PolarHBondContact O-N 2.8Å; I98-N100 VanDerWaalsContact O-N 3.07Å; N100-N102 PolarHBondContact O-N 3.32Å; N100-N102 VanDerWaalsContact O-N 3.08Å; N100-N102 PolarHBondContact OD1-N 3.27Å; N100-R103 HydrophobicContact CB-CB 4.07Å; N100-R103 WeakPolarHBondContact O-CB 3.4Å; N100-R103 PolarHBondContact O-N 2.98Å | ||
| 101 | P | 81.8 | Confident | 74.7 | Confident | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -18.5 | -177.8 | 25.4 | -34.4 | 0 | 0 | 0 | 113.5 | E99 | E99-P101 VanDerWaalsContact O-CD 3.3Å; E99-P101 WeakPolarHBondContact O-CD 3.39Å |
| 102 | N | 83.5 | Confident | 74.9 | Confident | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 4.5 | 175.2 | -72.9 | -30.3 | 0 | 0 | 0 | 113.7 | N100 R104 | N100-N102 PolarHBondContact O-N 3.32Å; N100-N102 VanDerWaalsContact O-N 3.08Å; N100-N102 PolarHBondContact OD1-N 3.27Å; N102-R104 PolarHBondContact O-N 3.21Å |
| 103 | R | 84.4 | Confident | 74.7 | Confident | 143 Ų | 143 | 141.4 Ų | 141.4 | 54% | 0.54 | 71% | 0.714 | S | S | . | * | trans | -73.1 | 102.1 | -178.1 | -172.7 | 169 | 180 | -147.6 | 3.1 | 111 | N100 V105 | N100-R103 HydrophobicContact CB-CB 4.07Å; N100-R103 WeakPolarHBondContact O-CB 3.4Å; N100-R103 PolarHBondContact O-N 2.98Å; R103-V105 PolarHBondContact O-N 2.86Å | ||
| 104 | R | 74.6 | Confident | 74.4 | Confident | 230 Ų | 230 | 138.2 Ų | 138.2 | 87% | 0.868 | 71% | 0.705 | S | S | * | * | trans | -81.6 | 106.6 | 173.1 | -58.5 | -178 | -179.3 | -167.7 | -0.1 | 109.3 | N102 V106 | N102-R104 PolarHBondContact O-N 3.21Å; R104-V106 PolarHBondContact O-N 2.97Å | ||
| 105 | V | 76.2 | Confident | 74.1 | Confident | 106 Ų | 106 | 137 Ų | 137 | 64% | 0.642 | 70% | 0.703 | S | S | * | * | trans | -72 | 111 | 171.5 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | R103 K107 | R103-V105 PolarHBondContact O-N 2.86Å; V105-K107 HydrophobicContact CG1-CG 4.37Å; V105-K107 PolarHBondContact O-N 3.21Å | ||
| 106 | V | 78.9 | Confident | 73.7 | Confident | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 70% | 0.703 | S | S | * | * | trans | -75.7 | 96.4 | 177.5 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | R104 | R104-V106 PolarHBondContact O-N 2.97Š| ||
| 107 | K | 74.3 | Confident | 72.9 | Confident | 171 Ų | 171 | 138.8 Ų | 138.8 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -81 | 127.3 | 170.9 | -64 | 172.3 | -178.4 | 174.6 | 0 | 108.6 | V105 K109 | V105-K107 HydrophobicContact CG1-CG 4.37Å; V105-K107 PolarHBondContact O-N 3.21Å; K107-K109 PolarHBondContact O-N 2.9Å |
| 108 | S | 74.4 | Confident | 71.9 | Confident | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 121.1 | 174.6 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | ||
| 109 | K | 74.5 | Confident | 71 | Confident | 188 Ų | 188 | 137.1 Ų | 137.1 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 139.2 | 175.6 | -64.4 | 179.3 | -179.1 | 178.8 | 0 | 109.5 | K107 | K107-K109 PolarHBondContact O-N 2.9Š|
| 110 | K | 73.7 | Confident | 70 | Confident | 160 Ų | 160 | 134.6 Ų | 134.6 | 70% | 0.696 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 140.3 | 174.7 | -70.6 | 176 | 178.1 | 179.2 | 0 | 109.2 | T112 D113 | K110-T112 PolarHBondContact O-N 3.45Å; K110-D113 PolarHBondContact O-N 3.47Å; K110-D113 VanDerWaalsContact O-N 3.08Å |
| 111 | V | 70.2 | Confident | 69 | Low | 134 Ų | 134 | 135.8 Ų | 135.8 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -54.5 | -26.7 | -176.8 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 112 | T | 68.5 | Low | 68.1 | Low | 120 Ų | 120 | 137.6 Ų | 137.6 | 74% | 0.736 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -73 | -23.7 | -178.8 | 55.2 | 0 | 0 | 0 | 0 | 114.8 | K110 | K110-T112 PolarHBondContact O-N 3.45Š|
| 113 | D | 64 | Low | 67 | Low | 125 Ų | 125 | 134.8 Ų | 134.8 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -95.8 | -0.2 | -176.9 | -58.9 | -28.4 | 0 | 0 | 0 | 112.6 | K110 N115 | K110-D113 PolarHBondContact O-N 3.47Å; K110-D113 VanDerWaalsContact O-N 3.08Å; D113-N115 PolarHBondContact O-N 2.9Å |
| 114 | V | 61.4 | Low | 66.2 | Low | 90 Ų | 90 | 132 Ų | 132 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -77.2 | 92.9 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 107.3 | V116 | V114-V116 WeakPolarHBondContact O-CG2 3.4Å; V114-V116 PolarHBondContact O-N 2.88Å |
| 115 | N | 57.3 | Low | 66.1 | Low | 98 Ų | 98 | 130.4 Ų | 130.4 | 52% | 0.524 | 70% | 0.699 | S | S | . | * | trans | -57.3 | 101.1 | 179.8 | -171.8 | 22.2 | 0 | 0 | 0 | 111.2 | D113 H117 K118 | D113-N115 PolarHBondContact O-N 2.9Å; N115-H117 PolarHBondContact O-N 3.33Å; N115-H117 VanDerWaalsContact O-N 3.12Å; N115-H117 WeakPolarHBondContact OD1-CB 3.46Å; N115-H117 PolarHBondContact OD1-N 2.94Å; N115-K118 PolarHBondContact O-N 3.03Å | ||
| 116 | V | 60.9 | Low | 65.8 | Low | 131 Ų | 131 | 135.3 Ų | 135.3 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -11 | 178.1 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | V114 | V114-V116 WeakPolarHBondContact O-CG2 3.4Å; V114-V116 PolarHBondContact O-N 2.88Å |
| 117 | H | 56.2 | Low | 65.9 | Low | 175 Ų | 175 | 132.9 Ų | 132.9 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -3.5 | 179 | -73.3 | -67.3 | 0 | 0 | 0 | 115.7 | N115 G119 | N115-H117 PolarHBondContact O-N 3.33Å; N115-H117 VanDerWaalsContact O-N 3.12Å; N115-H117 WeakPolarHBondContact OD1-CB 3.46Å; N115-H117 PolarHBondContact OD1-N 2.94Å; H117-G119 PolarHBondContact O-N 3.43Å |
| 118 | K | 53.4 | Low | 66 | Low | 173 Ų | 173 | 131.1 Ų | 131.1 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -78.9 | 111.9 | 157.7 | -70 | -174.5 | 178.2 | -172.4 | 0 | 105.3 | N115 | N115-K118 PolarHBondContact O-N 3.03Š|
| 119 | G | 59 | Low | 66.3 | Low | 54 Ų | 54 | 130.4 Ų | 130.4 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | trans | -46.4 | 163.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H117 | H117-G119 PolarHBondContact O-N 3.43Š| ||
| 120 | P | 58.7 | Low | 66.8 | Low | 119 Ų | 119 | 124.2 Ų | 124.2 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -43.9 | 132.2 | -172.6 | 20 | -32.6 | 0 | 0 | 0 | 109.6 | E122 | P120-E122 PolarHBondContact O-N 3.05Š|
| 121 | P | 62.4 | Low | 67.3 | Low | 110 Ų | 110 | 119 Ų | 119 | 71% | 0.714 | 62% | 0.623 | S | S | * | * | trans | -46.6 | 121.9 | -171 | 20.2 | -32.7 | 0 | 0 | 0 | 107.7 | M123 | P121-M123 VanDerWaalsContact C-N 3.26Å; P121-M123 PolarHBondContact O-N 3.27Å | ||
| 122 | E | 62.9 | Low | 68.1 | Low | 165 Ų | 165 | 119.1 Ų | 119.1 | 77% | 0.771 | 62% | 0.615 | S | S | * | * | trans | -57.2 | 100.9 | 179.6 | -78.5 | -168.5 | -163.6 | 0 | 0 | 106.8 | P120 T124 R128 | P120-E122 PolarHBondContact O-N 3.05Å; E122-T124 PolarHBondContact O-N 3.5Å; E122-R128 IonicContact OE2-NH2 3.92Å | ||
| 123 | M | 60.8 | Low | 69 | Low | 80 Ų | 80 | 118.3 Ų | 118.3 | 39% | 0.394 | 60% | 0.602 | S | S | . | * | trans | -45.1 | 122.9 | -175.4 | -64.5 | -66.9 | -80.2 | 0 | 0 | 107 | P121 R125 E127 R128 V131 | P121-M123 VanDerWaalsContact C-N 3.26Å; P121-M123 PolarHBondContact O-N 3.27Å; M123-R125 PolarHBondContact O-N 2.9Å; M123-E127 HydrophobicContact CB-CB 4.09Å; M123-E127 HydrophobicContact CE-CB 3.74Å; M123-R128 HydrophobicContact CB-CG 3.55Å; M123-R128 WeakPolarHBondContact O-CG 3.41Å; M123-R128 PolarHBondContact O-NE 2.89Å; M123-V131 HydrophobicContact CE-CG2 3.79Å | ||
| 124 | T | 68.5 | Low | 70.3 | Confident | 84 Ų | 84 | 116.2 Ų | 116.2 | 52% | 0.515 | 59% | 0.588 | S | S | . | * | trans | -52.5 | 144.5 | -179.5 | -48.1 | 0 | 0 | 0 | 0 | 106.8 | E122 R126 E127 R128 | E122-T124 PolarHBondContact O-N 3.5Å; T124-R126 CarbonylContact O-C 3.51Å; T124-R126 PolarHBondContact O-N 3.35Å; T124-E127 WeakPolarHBondContact CB-OE2 3.4Å; T124-E127 PolarHBondContact N-OE2 3.1Å; T124-E127 WeakPolarHBondContact O-CA 3.24Å; T124-E127 WeakPolarHBondContact O-CB 3.44Å; T124-E127 PolarHBondContact O-N 3.1Å; T124-E127 PolarHBondContact OG1-OE2 3.32Å; T124-E127 VanDerWaalsContact OG1-OE2 3.1Å; T124-R128 PolarHBondContact O-N 3.01Å; T124-R128 VanDerWaalsContact O-N 3.09Å | ||
| 125 | R | 72.2 | Confident | 71.8 | Confident | 196 Ų | 196 | 120.1 Ų | 120.1 | 74% | 0.74 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -41.7 | -41.4 | -176.7 | -179.7 | 179.8 | 170.3 | -179.5 | -0.1 | 113.2 | M123 R128 E129 | M123-R125 PolarHBondContact O-N 2.9Å; R125-R128 PolarHBondContact O-N 3.22Å; R125-E129 IonicContact NE-OE1 3.66Å; R125-E129 PolarHBondContact NE-OE1 3.38Å; R125-E129 PolarHBondContact O-N 3.49Å |
| 126 | R | 70.4 | Confident | 73.4 | Confident | 209 Ų | 209 | 118.4 Ų | 118.4 | 79% | 0.789 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.4 | -43.2 | 174.6 | -65.7 | -178.3 | 178.9 | 171.7 | -1.6 | 114.3 | T124 A130 | T124-R126 CarbonylContact O-C 3.51Å; T124-R126 PolarHBondContact O-N 3.35Å; R126-A130 WeakPolarHBondContact O-CB 3.35Å; R126-A130 PolarHBondContact O-N 2.92Å |
| 127 | E | 79.3 | Confident | 74.9 | Confident | 89 Ų | 89 | 117.7 Ų | 117.7 | 42% | 0.416 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.1 | -33 | 179.3 | -60.9 | 171.7 | 151.7 | 0 | 0 | 111.4 | M123 T124 V131 | M123-E127 HydrophobicContact CB-CB 4.09Å; M123-E127 HydrophobicContact CE-CB 3.74Å; T124-E127 WeakPolarHBondContact CB-OE2 3.4Å; T124-E127 PolarHBondContact N-OE2 3.1Å; T124-E127 WeakPolarHBondContact O-CA 3.24Å; T124-E127 WeakPolarHBondContact O-CB 3.44Å; T124-E127 PolarHBondContact O-N 3.1Å; T124-E127 PolarHBondContact OG1-OE2 3.32Å; T124-E127 VanDerWaalsContact OG1-OE2 3.1Å; E127-V131 WeakPolarHBondContact O-CB 3.46Å; E127-V131 WeakPolarHBondContact O-CG2 3.34Å; E127-V131 PolarHBondContact O-N 2.89Å |
| 128 | R | 76.9 | Confident | 76.6 | Confident | 133 Ų | 133 | 114.4 Ų | 114.4 | 50% | 0.502 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.1 | -49 | 174 | -66.8 | -176.7 | -166.6 | -177.1 | 1.7 | 111.5 | E122 M123 T124 R125 A130 V131 E132 | E122-R128 IonicContact OE2-NH2 3.92Å; M123-R128 HydrophobicContact CB-CG 3.55Å; M123-R128 WeakPolarHBondContact O-CG 3.41Å; M123-R128 PolarHBondContact O-NE 2.89Å; T124-R128 PolarHBondContact O-N 3.01Å; T124-R128 VanDerWaalsContact O-N 3.09Å; R125-R128 PolarHBondContact O-N 3.22Å; R128-A130 VanDerWaalsContact C-N 3.34Å; R128-A130 PolarHBondContact O-N 3.29Å; R128-V131 PolarHBondContact O-N 3.36Å; R128-E132 WeakPolarHBondContact O-CB 3.33Å; R128-E132 PolarHBondContact O-N 3.38Å |
| 129 | E | 81.3 | Confident | 78.5 | Confident | 105 Ų | 105 | 111.9 Ų | 111.9 | 49% | 0.491 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64 | -39.5 | 178.3 | -69.3 | 171.1 | -165.3 | 0 | 0 | 111.1 | R125 E132 K133 | R125-E129 IonicContact NE-OE1 3.66Å; R125-E129 PolarHBondContact NE-OE1 3.38Å; R125-E129 PolarHBondContact O-N 3.49Å; E129-E132 PolarHBondContact O-N 2.88Å; E129-K133 WeakPolarHBondContact O-CB 3.37Å; E129-K133 PolarHBondContact O-N 3.38Å |
| 130 | A | 85.2 | Confident | 80.2 | Confident | 58 Ų | 58 | 114.5 Ų | 114.5 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R126 R128 K133 E134 | R126-A130 WeakPolarHBondContact O-CB 3.35Å; R126-A130 PolarHBondContact O-N 2.92Å; R128-A130 VanDerWaalsContact C-N 3.34Å; R128-A130 PolarHBondContact O-N 3.29Å; A130-K133 PolarHBondContact O-N 3.43Å; A130-E134 WeakPolarHBondContact O-CB 3.24Å; A130-E134 PolarHBondContact O-N 3.36Å |
| 131 | V | 83.5 | Confident | 81.8 | Confident | 51 Ų | 51 | 114.3 Ų | 114.3 | 31% | 0.309 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -38.3 | 177 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | M123 E127 R128 E134 R135 | M123-V131 HydrophobicContact CE-CG2 3.79Å; E127-V131 WeakPolarHBondContact O-CB 3.46Å; E127-V131 WeakPolarHBondContact O-CG2 3.34Å; E127-V131 PolarHBondContact O-N 2.89Å; R128-V131 PolarHBondContact O-N 3.36Å; V131-E134 PolarHBondContact O-N 3.31Å; V131-R135 HydrophobicContact CG1-CG 4.37Å; V131-R135 WeakPolarHBondContact O-CB 3.45Å; V131-R135 WeakPolarHBondContact O-CG 3.5Å; V131-R135 PolarHBondContact O-N 2.92Å |
| 132 | E | 86.4 | Confident | 83.4 | Confident | 137 Ų | 137 | 111.3 Ų | 111.3 | 64% | 0.64 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.7 | -42.8 | 177 | -172.3 | 167.9 | -159.5 | 0 | 0 | 112.1 | R128 E129 E134 R135 A136 | R128-E132 WeakPolarHBondContact O-CB 3.33Å; R128-E132 PolarHBondContact O-N 3.38Å; E129-E132 PolarHBondContact O-N 2.88Å; E132-E134 VanDerWaalsContact C-N 3.27Å; E132-E134 PolarHBondContact O-N 3.4Å; E132-R135 PolarHBondContact O-N 2.88Å; E132-A136 WeakPolarHBondContact O-CB 3.41Å; E132-A136 PolarHBondContact O-N 2.91Å |
| 133 | K | 89.2 | Confident | 84.8 | Confident | 103 Ų | 103 | 105.8 Ų | 105.8 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -43.5 | 172.7 | -173.1 | 176.1 | -176.9 | -177.4 | 0 | 110.8 | E41 E129 A130 A136 R137 | E41-K133 IonicContact OE2-NZ 3.94Å; E129-K133 WeakPolarHBondContact O-CB 3.37Å; E129-K133 PolarHBondContact O-N 3.38Å; A130-K133 PolarHBondContact O-N 3.43Å; K133-A136 PolarHBondContact O-N 3.21Å; K133-R137 VanDerWaalsContact CE-NH2 3.31Å; K133-R137 WeakPolarHBondContact O-CG 3.38Å; K133-R137 PolarHBondContact O-N 3.39Å |
| 134 | E | 90.9 | Very high | 86.5 | Confident | 81 Ų | 81 | 104.9 Ų | 104.9 | 38% | 0.379 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 178.1 | -174.2 | 52.7 | -147.9 | 0 | 0 | 112.1 | A130 V131 E132 A136 R137 Q138 | A130-E134 WeakPolarHBondContact O-CB 3.24Å; A130-E134 PolarHBondContact O-N 3.36Å; V131-E134 PolarHBondContact O-N 3.31Å; E132-E134 VanDerWaalsContact C-N 3.27Å; E132-E134 PolarHBondContact O-N 3.4Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 2.9Å; E134-R137 WeakPolarHBondContact O-CB 3.31Å; E134-R137 PolarHBondContact O-N 2.64Å; E134-Q138 WeakPolarHBondContact O-CB 3.41Å; E134-Q138 VanDerWaalsContact O-CG 3.3Å; E134-Q138 WeakPolarHBondContact O-CG 3.17Å; E134-Q138 PolarHBondContact O-N 3.12Å; E134-Q138 PolarHBondContact OE1-NE2 3.19Å |
| 135 | R | 91.4 | Very high | 87.6 | Confident | 172 Ų | 172 | 105.2 Ų | 105.2 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -41.1 | 173.9 | -75.3 | 172.7 | -176.9 | 179.4 | 3.5 | 112.2 | V131 E132 Q138 H139 | V131-R135 HydrophobicContact CG1-CG 4.37Å; V131-R135 WeakPolarHBondContact O-CB 3.45Å; V131-R135 WeakPolarHBondContact O-CG 3.5Å; V131-R135 PolarHBondContact O-N 2.92Å; E132-R135 PolarHBondContact O-N 2.88Å; R135-Q138 PolarHBondContact O-N 3.38Å; R135-H139 VanDerWaalsContact O-CB 3.26Å; R135-H139 WeakPolarHBondContact O-CB 3.48Å; R135-H139 PolarHBondContact O-N 3.34Å |
| 136 | A | 91.7 | Very high | 88.6 | Confident | 61 Ų | 61 | 101.4 Ų | 101.4 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E132 K133 E134 H139 Y140 | E132-A136 WeakPolarHBondContact O-CB 3.41Å; E132-A136 PolarHBondContact O-N 2.91Å; K133-A136 PolarHBondContact O-N 3.21Å; E134-A136 VanDerWaalsContact C-N 3.33Å; E134-A136 PolarHBondContact O-N 2.9Å; A136-H139 PolarHBondContact O-N 2.87Å; A136-Y140 WeakPolarHBondContact O-CB 3.4Å; A136-Y140 PolarHBondContact O-N 2.9Å |
| 137 | R | 92.1 | Very high | 89.6 | Confident | 116 Ų | 116 | 92.1 Ų | 92.1 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.2 | -48.9 | 173.3 | -74.5 | 172.2 | 172.5 | -179.5 | -5.4 | 111.6 | K133 E134 H139 Y140 L141 | K133-R137 VanDerWaalsContact CE-NH2 3.31Å; K133-R137 WeakPolarHBondContact O-CG 3.38Å; K133-R137 PolarHBondContact O-N 3.39Å; E134-R137 WeakPolarHBondContact O-CB 3.31Å; E134-R137 PolarHBondContact O-N 2.64Å; R137-H139 VanDerWaalsContact C-N 3.3Å; R137-H139 PolarHBondContact O-N 3.16Å; R137-Y140 PolarHBondContact O-N 2.94Å; R137-L141 WeakPolarHBondContact O-CG 3.28Å; R137-L141 PolarHBondContact O-N 3.4Å |
| 138 | Q | 93 | Very high | 90.2 | Very high | 106 Ų | 106 | 93.4 Ų | 93.4 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 177.8 | -71.3 | 174.9 | 7.7 | 0 | 0 | 111.8 | E134 R135 L141 A142 | E134-Q138 WeakPolarHBondContact O-CB 3.41Å; E134-Q138 VanDerWaalsContact O-CG 3.3Å; E134-Q138 WeakPolarHBondContact O-CG 3.17Å; E134-Q138 PolarHBondContact O-N 3.12Å; E134-Q138 PolarHBondContact OE1-NE2 3.19Å; R135-Q138 PolarHBondContact O-N 3.38Å; Q138-L141 PolarHBondContact O-N 3.46Å; Q138-A142 WeakPolarHBondContact O-CB 3.17Å; Q138-A142 PolarHBondContact O-N 2.87Å |
| 139 | H | 93.5 | Very high | 91 | Very high | 120 Ų | 120 | 88 Ų | 88 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.3 | -43.1 | 176.1 | -178.7 | -102.5 | 0 | 0 | 0 | 112.1 | R135 A136 R137 A142 L143 | R135-H139 VanDerWaalsContact O-CB 3.26Å; R135-H139 WeakPolarHBondContact O-CB 3.48Å; R135-H139 PolarHBondContact O-N 3.34Å; A136-H139 PolarHBondContact O-N 2.87Å; R137-H139 VanDerWaalsContact C-N 3.3Å; R137-H139 PolarHBondContact O-N 3.16Å; H139-A142 PolarHBondContact O-N 3.41Å; H139-L143 WeakPolarHBondContact CE1-CD1 3.22Å; H139-L143 WeakPolarHBondContact O-CG 3.41Å; H139-L143 PolarHBondContact O-N 3.36Å |
| 140 | Y | 92.9 | Very high | 91.4 | Very high | 110 Ų | 110 | 90.3 Ų | 90.3 | 43% | 0.431 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.5 | -48 | 173.8 | -180 | -95 | 0 | 0 | 0 | 111.7 | A136 R137 A142 L143 H144 T149 E151 | A136-Y140 WeakPolarHBondContact O-CB 3.4Å; A136-Y140 PolarHBondContact O-N 2.9Å; R137-Y140 PolarHBondContact O-N 2.94Å; Y140-A142 VanDerWaalsContact C-N 3.32Å; Y140-A142 PolarHBondContact O-N 3.08Å; Y140-L143 PolarHBondContact O-N 3.31Å; Y140-H144 WeakPolarHBondContact O-CB 3.35Å; Y140-H144 PolarHBondContact O-N 2.98Å; Y140-T149 HydrophobicContact CD2-CG2 4.48Å; Y140-T149 HydrophobicContact CE2-CG2 4.01Å; Y140-E151 PolarHBondContact OH-OE2 3.26Å; Y140-E151 VanDerWaalsContact OH-OE2 3.05Å |
| 141 | L | 94.1 | Very high | 91.7 | Very high | 114 Ų | 114 | 93 Ų | 93 | 60% | 0.597 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 177.8 | -70.1 | 172 | 0 | 0 | 0 | 111.9 | R137 Q138 H144 A145 | R137-L141 WeakPolarHBondContact O-CG 3.28Å; R137-L141 PolarHBondContact O-N 3.4Å; Q138-L141 PolarHBondContact O-N 3.46Å; L141-H144 PolarHBondContact O-N 3Å; L141-A145 WeakPolarHBondContact O-CB 3.06Å; L141-A145 PolarHBondContact O-N 2.98Å |
| 142 | A | 94.5 | Very high | 92.2 | Very high | 47 Ų | 47 | 90.8 Ų | 90.8 | 39% | 0.388 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q138 H139 Y140 H144 A145 E146 | Q138-A142 WeakPolarHBondContact O-CB 3.17Å; Q138-A142 PolarHBondContact O-N 2.87Å; H139-A142 PolarHBondContact O-N 3.41Å; Y140-A142 VanDerWaalsContact C-N 3.32Å; Y140-A142 PolarHBondContact O-N 3.08Å; A142-H144 VanDerWaalsContact C-N 3.29Å; A142-H144 PolarHBondContact O-N 2.77Å; A142-A145 PolarHBondContact O-N 3.44Å; A142-E146 WeakPolarHBondContact O-CG 3.25Å; A142-E146 PolarHBondContact O-N 3.44Å |
| 143 | L | 93.9 | Very high | 92.5 | Very high | 49 Ų | 49 | 91 Ų | 91 | 26% | 0.257 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -36.3 | 176.3 | -75.3 | 176.5 | 0 | 0 | 0 | 112.8 | H139 Y140 G147 K148 T149 | H139-L143 WeakPolarHBondContact CE1-CD1 3.22Å; H139-L143 WeakPolarHBondContact O-CG 3.41Å; H139-L143 PolarHBondContact O-N 3.36Å; Y140-L143 PolarHBondContact O-N 3.31Å; L143-G147 PolarHBondContact O-N 3.03Å; L143-K148 HydrophobicContact CD2-CB 4.06Å; L143-K148 HydrophobicContact CD2-CD 3.59Å; L143-K148 HydrophobicContact CD2-CG 4.45Å; L143-K148 PolarHBondContact O-N 2.89Å; L143-T149 HydrophobicContact CB-CG2 4.2Å |
| 144 | H | 95 | Very high | 92.8 | Very high | 62 Ų | 62 | 88.8 Ų | 88.8 | 29% | 0.287 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.1 | -42.8 | 176.2 | -169.8 | -70.1 | 0 | 0 | 0 | 111.1 | Y140 L141 A142 E146 G147 T149 E151 A152 | Y140-H144 WeakPolarHBondContact O-CB 3.35Å; Y140-H144 PolarHBondContact O-N 2.98Å; L141-H144 PolarHBondContact O-N 3Å; A142-H144 VanDerWaalsContact C-N 3.29Å; A142-H144 PolarHBondContact O-N 2.77Å; H144-E146 VanDerWaalsContact C-N 3.34Å; H144-E146 PolarHBondContact O-N 3.37Å; H144-G147 PolarHBondContact O-N 2.89Å; H144-G147 VanDerWaalsContact O-N 3.1Å; H144-T149 HydrophobicContact CB-CG2 3.99Å; H144-T149 PolarHBondContact CD2-OG1 3.41Å; H144-T149 VanDerWaalsContact CD2-OG1 3.27Å; H144-E151 IonicContact CD2-OE2 3Å; H144-E151 IonicContact NE2-OE2 2.77Å; H144-A152 WeakPolarHBondContact O-CB 3.49Å |
| 145 | A | 92 | Very high | 93 | Very high | 90 Ų | 90 | 89 Ų | 89 | 74% | 0.744 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.5 | -37.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L141 A142 G147 | L141-A145 WeakPolarHBondContact O-CB 3.06Å; L141-A145 PolarHBondContact O-N 2.98Å; A142-A145 PolarHBondContact O-N 3.44Å; A145-G147 PolarHBondContact O-N 3.38Å |
| 146 | E | 92.8 | Very high | 93.1 | Very high | 117 Ų | 117 | 85.3 Ų | 85.3 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -13.4 | 173.6 | -71.6 | 177.6 | 174.9 | 0 | 0 | 113.4 | A142 H144 K148 | A142-E146 WeakPolarHBondContact O-CG 3.25Å; A142-E146 PolarHBondContact O-N 3.44Å; H144-E146 VanDerWaalsContact C-N 3.34Å; H144-E146 PolarHBondContact O-N 3.37Å; E146-K148 HydrophobicContact CB-CD 4.34Å; E146-K148 HydrophobicContact CB-CG 4.22Å; E146-K148 VanDerWaalsContact OE2-CD 3.25Å; E146-K148 WeakPolarHBondContact OE2-CD 3.47Å; E146-K148 WeakPolarHBondContact OE2-CE 3.23Å; E146-K148 IonicContact OE2-NZ 3.93Å; E146-K148 PolarHBondContact OE2-NZ 3.39Å |
| 147 | G | 91.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 85 Ų | 85 | 13% | 0.134 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 19.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | L143 H144 A145 R153 | L143-G147 PolarHBondContact O-N 3.03Å; H144-G147 PolarHBondContact O-N 2.89Å; H144-G147 VanDerWaalsContact O-N 3.1Å; A145-G147 PolarHBondContact O-N 3.38Å; G147-R153 WeakPolarHBondContact O-CG 3.49Å |
| 148 | K | 91.1 | Very high | 93.3 | Very high | 116 Ų | 116 | 87.6 Ų | 87.6 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | trans | -87.9 | -24 | -177.9 | -69.6 | 177.4 | -176.9 | 162.8 | 0 | 113.2 | L143 E146 R153 | L143-K148 HydrophobicContact CD2-CB 4.06Å; L143-K148 HydrophobicContact CD2-CD 3.59Å; L143-K148 HydrophobicContact CD2-CG 4.45Å; L143-K148 PolarHBondContact O-N 2.89Å; E146-K148 HydrophobicContact CB-CD 4.34Å; E146-K148 HydrophobicContact CB-CG 4.22Å; E146-K148 VanDerWaalsContact OE2-CD 3.25Å; E146-K148 WeakPolarHBondContact OE2-CD 3.47Å; E146-K148 WeakPolarHBondContact OE2-CE 3.23Å; E146-K148 IonicContact OE2-NZ 3.93Å; E146-K148 PolarHBondContact OE2-NZ 3.39Å; K148-R153 VanDerWaalsContact O-CZ 3.32Å; K148-R153 PolarHBondContact O-NE 3.25Å; K148-R153 PolarHBondContact O-NH2 2.85Å | ||
| 149 | T | 94.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 86.5 Ų | 86.5 | 12% | 0.117 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -66.3 | 152.1 | 173.3 | 60.2 | 0 | 0 | 0 | 0 | 110.8 | Y140 L143 H144 E151 A152 R153 | Y140-T149 HydrophobicContact CD2-CG2 4.48Å; Y140-T149 HydrophobicContact CE2-CG2 4.01Å; L143-T149 HydrophobicContact CB-CG2 4.2Å; H144-T149 HydrophobicContact CB-CG2 3.99Å; H144-T149 PolarHBondContact CD2-OG1 3.41Å; H144-T149 VanDerWaalsContact CD2-OG1 3.27Å; T149-E151 VanDerWaalsContact C-N 3.26Å; T149-E151 PolarHBondContact O-N 3.23Å; T149-A152 PolarHBondContact O-N 3.41Å; T149-A152 WeakPolarHBondContact OG1-CB 3.42Å; T149-A152 PolarHBondContact OG1-N 3.41Å; T149-R153 WeakPolarHBondContact O-CG 3.43Å; T149-R153 PolarHBondContact O-N 3.39Å |
| 150 | E | 90.4 | Very high | 93.5 | Very high | 155 Ų | 155 | 82.7 Ų | 82.7 | 72% | 0.724 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.2 | -37.4 | 179.1 | -63.3 | -174 | 165.8 | 0 | 0 | 111.7 | R153 A154 | E150-R153 PolarHBondContact O-N 2.89Å; E150-A154 WeakPolarHBondContact O-CB 3.39Å; E150-A154 PolarHBondContact O-N 2.86Å |
| 151 | E | 91.6 | Very high | 93.6 | Very high | 113 Ų | 113 | 82.6 Ų | 82.6 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.8 | -52.7 | 174 | -62.2 | 179.1 | 161.6 | 0 | 0 | 111.5 | Y140 H144 T149 R153 A154 D155 | Y140-E151 PolarHBondContact OH-OE2 3.26Å; Y140-E151 VanDerWaalsContact OH-OE2 3.05Å; H144-E151 IonicContact CD2-OE2 3Å; H144-E151 IonicContact NE2-OE2 2.77Å; T149-E151 VanDerWaalsContact C-N 3.26Å; T149-E151 PolarHBondContact O-N 3.23Å; E151-R153 VanDerWaalsContact C-N 3.31Å; E151-R153 PolarHBondContact O-N 2.84Å; E151-A154 WeakPolarHBondContact O-CB 3.4Å; E151-A154 PolarHBondContact O-N 2.84Å; E151-A154 VanDerWaalsContact O-N 3.12Å; E151-D155 PolarHBondContact O-N 3.35Å |
| 152 | A | 94 | Very high | 93.7 | Very high | 6 Ų | 6 | 80 Ų | 80 | 5% | 0.05 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66 | -34.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H144 T149 D155 L156 | H144-A152 WeakPolarHBondContact O-CB 3.49Å; T149-A152 PolarHBondContact O-N 3.41Å; T149-A152 WeakPolarHBondContact OG1-CB 3.42Å; T149-A152 PolarHBondContact OG1-N 3.41Å; A152-D155 PolarHBondContact O-N 3.49Å; A152-L156 WeakPolarHBondContact O-CB 3.33Å; A152-L156 VanDerWaalsContact O-CG 3.24Å; A152-L156 WeakPolarHBondContact O-CG 3.44Å; A152-L156 PolarHBondContact O-N 2.84Å |
| 153 | R | 92.6 | Very high | 93.8 | Very high | 140 Ų | 140 | 85 Ų | 85 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 172 | -74.3 | -173.9 | -110.5 | 154.4 | -3 | 111.9 | G147 K148 T149 E150 E151 L156 A157 | G147-R153 WeakPolarHBondContact O-CG 3.49Å; K148-R153 VanDerWaalsContact O-CZ 3.32Å; K148-R153 PolarHBondContact O-NE 3.25Å; K148-R153 PolarHBondContact O-NH2 2.85Å; T149-R153 WeakPolarHBondContact O-CG 3.43Å; T149-R153 PolarHBondContact O-N 3.39Å; E150-R153 PolarHBondContact O-N 2.89Å; E151-R153 VanDerWaalsContact C-N 3.31Å; E151-R153 PolarHBondContact O-N 2.84Å; R153-L156 PolarHBondContact O-N 3.39Å; R153-A157 WeakPolarHBondContact O-CB 3.34Å; R153-A157 PolarHBondContact O-N 2.89Å |
| 154 | A | 95.7 | Very high | 93.9 | Very high | 58 Ų | 58 | 88.7 Ų | 88.7 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | E150 E151 A157 R158 | E150-A154 WeakPolarHBondContact O-CB 3.39Å; E150-A154 PolarHBondContact O-N 2.86Å; E151-A154 WeakPolarHBondContact O-CB 3.4Å; E151-A154 PolarHBondContact O-N 2.84Å; E151-A154 VanDerWaalsContact O-N 3.12Å; A154-A157 PolarHBondContact O-N 2.9Å; A154-R158 WeakPolarHBondContact O-CB 3.36Å; A154-R158 PolarHBondContact O-N 3.44Å |
| 155 | D | 93.9 | Very high | 93.9 | Very high | 84 Ų | 84 | 91.9 Ų | 91.9 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 175.8 | -78.6 | -24.2 | 0 | 0 | 0 | 112.1 | E151 A152 A157 R158 L159 | E151-D155 PolarHBondContact O-N 3.35Å; A152-D155 PolarHBondContact O-N 3.49Å; D155-A157 VanDerWaalsContact C-N 3.34Å; D155-A157 PolarHBondContact O-N 3.06Å; D155-R158 WeakPolarHBondContact O-CB 3.47Å; D155-R158 PolarHBondContact O-N 2.92Å; D155-L159 WeakPolarHBondContact O-CG 3.38Å; D155-L159 PolarHBondContact O-N 3.47Å |
| 156 | L | 93.8 | Very high | 94.1 | Very high | 95 Ų | 95 | 96.4 Ų | 96.4 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 174 | -71.1 | -179.3 | 0 | 0 | 0 | 111.8 | A152 R153 L159 A160 | A152-L156 WeakPolarHBondContact O-CB 3.33Å; A152-L156 VanDerWaalsContact O-CG 3.24Å; A152-L156 WeakPolarHBondContact O-CG 3.44Å; A152-L156 PolarHBondContact O-N 2.84Å; R153-L156 PolarHBondContact O-N 3.39Å; L156-L159 PolarHBondContact O-N 3.25Å; L156-A160 WeakPolarHBondContact O-CB 3.33Å; L156-A160 PolarHBondContact O-N 2.99Å |
| 157 | A | 94.5 | Very high | 94.2 | Very high | 54 Ų | 54 | 95.9 Ų | 95.9 | 45% | 0.446 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R153 A154 D155 A160 L161 | R153-A157 WeakPolarHBondContact O-CB 3.34Å; R153-A157 PolarHBondContact O-N 2.89Å; A154-A157 PolarHBondContact O-N 2.9Å; D155-A157 VanDerWaalsContact C-N 3.34Å; D155-A157 PolarHBondContact O-N 3.06Å; A157-A160 PolarHBondContact O-N 3.27Å; A157-L161 PolarHBondContact O-N 3.47Å |
| 158 | R | 94.3 | Very high | 94.2 | Very high | 172 Ų | 172 | 101.1 Ų | 101.1 | 65% | 0.649 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.3 | -45.8 | 174.6 | -174.9 | -177.7 | -178.8 | -178.2 | 1.7 | 111.3 | A154 D155 A160 L161 I162 | A154-R158 WeakPolarHBondContact O-CB 3.36Å; A154-R158 PolarHBondContact O-N 3.44Å; D155-R158 WeakPolarHBondContact O-CB 3.47Å; D155-R158 PolarHBondContact O-N 2.92Å; R158-A160 VanDerWaalsContact C-N 3.35Å; R158-L161 PolarHBondContact O-N 2.95Å; R158-I162 HydrophobicContact CG-CD1 4.47Å; R158-I162 WeakPolarHBondContact O-CG1 3.32Å; R158-I162 PolarHBondContact O-N 2.88Å |
| 159 | L | 95.4 | Very high | 94.3 | Very high | 82 Ų | 82 | 97.7 Ų | 97.7 | 43% | 0.429 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 176.3 | -70.4 | 176.7 | 0 | 0 | 0 | 112.1 | D155 L156 I162 R163 | D155-L159 WeakPolarHBondContact O-CG 3.38Å; D155-L159 PolarHBondContact O-N 3.47Å; L156-L159 PolarHBondContact O-N 3.25Å; L159-I162 PolarHBondContact O-N 3.24Å; L159-R163 WeakPolarHBondContact O-CG 3.4Å; L159-R163 PolarHBondContact O-N 2.96Å |
| 160 | A | 95.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 98.9 Ų | 98.9 | 34% | 0.339 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L156 A157 R158 R163 K164 | L156-A160 WeakPolarHBondContact O-CB 3.33Å; L156-A160 PolarHBondContact O-N 2.99Å; A157-A160 PolarHBondContact O-N 3.27Å; R158-A160 VanDerWaalsContact C-N 3.35Å; A160-R163 PolarHBondContact O-N 2.92Å; A160-K164 WeakPolarHBondContact O-CG 3.33Å; A160-K164 PolarHBondContact O-N 2.93Å |
| 161 | L | 95.4 | Very high | 94.2 | Very high | 108 Ų | 108 | 97.2 Ų | 97.2 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.1 | -45.6 | 174.2 | -71.5 | 172 | 0 | 0 | 0 | 111.9 | A157 R158 R163 K164 Q165 | A157-L161 PolarHBondContact O-N 3.47Å; R158-L161 PolarHBondContact O-N 2.95Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.31Å; L161-K164 PolarHBondContact O-N 3.27Å; L161-Q165 WeakPolarHBondContact O-CG 3.3Å; L161-Q165 PolarHBondContact O-N 3.36Å |
| 162 | I | 95.2 | Very high | 94.1 | Very high | 58 Ų | 58 | 98.1 Ų | 98.1 | 30% | 0.297 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 178.4 | -65.5 | 168.3 | 0 | 0 | 0 | 110.9 | R158 L159 Q165 R166 | R158-I162 HydrophobicContact CG-CD1 4.47Å; R158-I162 WeakPolarHBondContact O-CG1 3.32Å; R158-I162 PolarHBondContact O-N 2.88Å; L159-I162 PolarHBondContact O-N 3.24Å; I162-Q165 PolarHBondContact O-N 3.4Å; I162-R166 HydrophobicContact CG2-CG 4.41Å; I162-R166 WeakPolarHBondContact O-CB 3.37Å; I162-R166 VanDerWaalsContact O-CG 3.28Å; I162-R166 WeakPolarHBondContact O-CG 3.44Å; I162-R166 PolarHBondContact O-N 3.49Å |
| 163 | R | 96.2 | Very high | 93.7 | Very high | 154 Ų | 154 | 105.7 Ų | 105.7 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -48.3 | 175.8 | -74.4 | 176.5 | -175.4 | 151.5 | 1.8 | 111.2 | L159 A160 L161 Q165 R166 E167 | L159-R163 WeakPolarHBondContact O-CG 3.4Å; L159-R163 PolarHBondContact O-N 2.96Å; A160-R163 PolarHBondContact O-N 2.92Å; L161-R163 VanDerWaalsContact C-N 3.34Å; L161-R163 PolarHBondContact O-N 3.31Å; R163-Q165 PolarHBondContact O-N 2.91Å; R163-R166 PolarHBondContact O-N 3.49Å; R163-E167 WeakPolarHBondContact O-CG 3.49Å; R163-E167 PolarHBondContact O-N 3.09Å |
| 164 | K | 96.3 | Very high | 93.5 | Very high | 126 Ų | 126 | 104.5 Ų | 104.5 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.7 | -48.3 | 175.6 | -72.9 | 179.6 | 179.4 | -175.9 | 0 | 111.9 | A160 L161 R166 E167 E168 | A160-K164 WeakPolarHBondContact O-CG 3.33Å; A160-K164 PolarHBondContact O-N 2.93Å; L161-K164 PolarHBondContact O-N 3.27Å; K164-R166 VanDerWaalsContact C-N 3.31Å; K164-R166 PolarHBondContact O-N 3.42Å; K164-E167 PolarHBondContact O-N 2.89Å; K164-E168 WeakPolarHBondContact O-CB 3.26Å; K164-E168 VanDerWaalsContact O-CG 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.4Å; K164-E168 PolarHBondContact O-N 3.43Å |
| 165 | Q | 96.1 | Very high | 92.9 | Very high | 128 Ų | 128 | 108.1 Ų | 108.1 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -39.4 | 177.9 | -73.4 | 177.3 | -8.4 | 0 | 0 | 112.7 | L161 I162 R163 A169 | L161-Q165 WeakPolarHBondContact O-CG 3.3Å; L161-Q165 PolarHBondContact O-N 3.36Å; I162-Q165 PolarHBondContact O-N 3.4Å; R163-Q165 PolarHBondContact O-N 2.91Å; Q165-A169 WeakPolarHBondContact O-CB 3.35Å; Q165-A169 PolarHBondContact O-N 3.47Å |
| 166 | R | 95.4 | Very high | 92.2 | Very high | 185 Ų | 185 | 108.7 Ų | 108.7 | 70% | 0.698 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68 | -42.7 | 176.9 | -73.4 | 176.3 | -177.6 | -168.6 | 2.5 | 111.9 | I162 R163 K164 A169 A170 | I162-R166 HydrophobicContact CG2-CG 4.41Å; I162-R166 WeakPolarHBondContact O-CB 3.37Å; I162-R166 VanDerWaalsContact O-CG 3.28Å; I162-R166 WeakPolarHBondContact O-CG 3.44Å; I162-R166 PolarHBondContact O-N 3.49Å; R163-R166 PolarHBondContact O-N 3.49Å; K164-R166 VanDerWaalsContact C-N 3.31Å; K164-R166 PolarHBondContact O-N 3.42Å; R166-A169 PolarHBondContact O-N 2.7Å; R166-A170 VanDerWaalsContact O-CB 3.28Å; R166-A170 WeakPolarHBondContact O-CB 3.5Å; R166-A170 PolarHBondContact O-N 3.35Å |
| 167 | E | 94.7 | Very high | 91.7 | Very high | 107 Ų | 107 | 110.2 Ų | 110.2 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 176.5 | -73.1 | 173.8 | -156 | 0 | 0 | 111.6 | R163 K164 A170 K171 | R163-E167 WeakPolarHBondContact O-CG 3.49Å; R163-E167 PolarHBondContact O-N 3.09Å; K164-E167 PolarHBondContact O-N 2.89Å; E167-A170 PolarHBondContact O-N 3.49Å; E167-K171 WeakPolarHBondContact O-CB 3.33Å; E167-K171 VanDerWaalsContact O-CG 3.24Å; E167-K171 WeakPolarHBondContact O-CG 3.5Å; E167-K171 PolarHBondContact O-N 2.81Å |
| 168 | E | 92.7 | Very high | 91 | Very high | 123 Ų | 123 | 114.1 Ų | 114.1 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.5 | -42.8 | 175.2 | -73.5 | 171.3 | -170.5 | 0 | 0 | 111.6 | K164 K171 K172 | K164-E168 WeakPolarHBondContact O-CB 3.26Å; K164-E168 VanDerWaalsContact O-CG 3.31Å; K164-E168 WeakPolarHBondContact O-CG 3.4Å; K164-E168 PolarHBondContact O-N 3.43Å; E168-K171 PolarHBondContact O-N 2.95Å; E168-K172 WeakPolarHBondContact O-CB 3.24Å; E168-K172 PolarHBondContact O-N 2.88Å |
| 169 | A | 92.4 | Very high | 90.1 | Very high | 43 Ų | 43 | 107.3 Ų | 107.3 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q165 R166 R173 | Q165-A169 WeakPolarHBondContact O-CB 3.35Å; Q165-A169 PolarHBondContact O-N 3.47Å; R166-A169 PolarHBondContact O-N 2.7Å; A169-R173 WeakPolarHBondContact O-CB 3.4Å; A169-R173 VanDerWaalsContact O-CG 3.24Å; A169-R173 WeakPolarHBondContact O-CG 3.38Å; A169-R173 PolarHBondContact O-N 2.71Å |
| 170 | A | 92.1 | Very high | 89 | Confident | 45 Ų | 45 | 108.4 Ų | 108.4 | 37% | 0.372 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R166 E167 R173 Q174 | R166-A170 VanDerWaalsContact O-CB 3.28Å; R166-A170 WeakPolarHBondContact O-CB 3.5Å; R166-A170 PolarHBondContact O-N 3.35Å; E167-A170 PolarHBondContact O-N 3.49Å; A170-R173 PolarHBondContact O-N 3.07Å; A170-Q174 WeakPolarHBondContact O-CG 3.44Å; A170-Q174 PolarHBondContact O-N 3.07Å |
| 171 | K | 90.7 | Very high | 87.6 | Confident | 119 Ų | 119 | 110.3 Ų | 110.3 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 174.5 | -73.7 | 172.9 | -173.8 | 176.3 | 0 | 111.7 | E167 E168 R173 Q174 Q175 | E167-K171 WeakPolarHBondContact O-CB 3.33Å; E167-K171 VanDerWaalsContact O-CG 3.24Å; E167-K171 WeakPolarHBondContact O-CG 3.5Å; E167-K171 PolarHBondContact O-N 2.81Å; E168-K171 PolarHBondContact O-N 2.95Å; K171-R173 VanDerWaalsContact C-N 3.34Å; K171-R173 PolarHBondContact O-N 3.19Å; K171-Q174 PolarHBondContact O-N 3.1Å; K171-Q175 WeakPolarHBondContact O-CG 3.3Å; K171-Q175 PolarHBondContact O-N 3.34Å |
| 172 | K | 89.9 | Confident | 86.1 | Confident | 132 Ų | 132 | 111.4 Ų | 111.4 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.5 | -42.4 | 176.1 | -169.9 | -178.4 | -178.2 | -168.3 | 0 | 111.5 | E168 Q175 E176 | E168-K172 WeakPolarHBondContact O-CB 3.24Å; E168-K172 PolarHBondContact O-N 2.88Å; K172-Q175 PolarHBondContact O-N 2.95Å; K172-E176 WeakPolarHBondContact CE-OE1 3.22Å; K172-E176 IonicContact NZ-OE1 2.64Å; K172-E176 WeakPolarHBondContact O-CB 3.2Å; K172-E176 WeakPolarHBondContact O-CG 3.38Å; K172-E176 PolarHBondContact O-N 3.02Å |
| 173 | R | 85.7 | Confident | 84.7 | Confident | 166 Ų | 166 | 113.3 Ų | 113.3 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.7 | -39.1 | 174.3 | -74.1 | 172.8 | -173.7 | 175.9 | 2.6 | 112.5 | A169 A170 K171 Q177 | A169-R173 WeakPolarHBondContact O-CB 3.4Å; A169-R173 VanDerWaalsContact O-CG 3.24Å; A169-R173 WeakPolarHBondContact O-CG 3.38Å; A169-R173 PolarHBondContact O-N 2.71Å; A170-R173 PolarHBondContact O-N 3.07Å; K171-R173 VanDerWaalsContact C-N 3.34Å; K171-R173 PolarHBondContact O-N 3.19Å; R173-Q177 WeakPolarHBondContact O-CB 3.45Å; R173-Q177 WeakPolarHBondContact O-CG 3.41Å; R173-Q177 PolarHBondContact O-N 3.4Å |
| 174 | Q | 86.8 | Confident | 83.1 | Confident | 114 Ų | 114 | 112.5 Ų | 112.5 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 175.4 | -75.3 | 175 | -13.3 | 0 | 0 | 111.3 | A170 K171 E176 Q177 E178 | A170-Q174 WeakPolarHBondContact O-CG 3.44Å; A170-Q174 PolarHBondContact O-N 3.07Å; K171-Q174 PolarHBondContact O-N 3.1Å; Q174-E176 PolarHBondContact O-N 3.38Å; Q174-Q177 PolarHBondContact O-N 2.94Å; Q174-E178 WeakPolarHBondContact O-CB 3.34Å; Q174-E178 WeakPolarHBondContact O-CG 3.39Å; Q174-E178 PolarHBondContact O-N 3.35Å |
| 175 | Q | 83.8 | Confident | 81.6 | Confident | 134 Ų | 134 | 113.9 Ų | 113.9 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | -39.1 | 176.1 | -71 | 176.9 | -6.4 | 0 | 0 | 112.9 | K171 K172 G179 | K171-Q175 WeakPolarHBondContact O-CG 3.3Å; K171-Q175 PolarHBondContact O-N 3.34Å; K172-Q175 PolarHBondContact O-N 2.95Å; Q175-G179 WeakPolarHBondContact O-CA 3.39Å; Q175-G179 PolarHBondContact O-N 3.37Å |
| 176 | E | 80 | Confident | 80 | Confident | 97 Ų | 97 | 113.2 Ų | 113.2 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 173.7 | -74.7 | 173 | -173.3 | 0 | 0 | 111.7 | K172 Q174 N180 | K172-E176 WeakPolarHBondContact CE-OE1 3.22Å; K172-E176 IonicContact NZ-OE1 2.64Å; K172-E176 WeakPolarHBondContact O-CB 3.2Å; K172-E176 WeakPolarHBondContact O-CG 3.38Å; K172-E176 PolarHBondContact O-N 3.02Å; Q174-E176 PolarHBondContact O-N 3.38Å; E176-N180 WeakPolarHBondContact O-CB 3.46Å; E176-N180 PolarHBondContact O-N 3.44Å; E176-N180 PolarHBondContact O-ND2 2.64Å |
| 177 | Q | 81.6 | Confident | 78.1 | Confident | 126 Ų | 126 | 110.1 Ų | 110.1 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.5 | -47.1 | 173.9 | -76.1 | 173.6 | 27.8 | 0 | 0 | 111.5 | R173 Q174 N180 V181 | R173-Q177 WeakPolarHBondContact O-CB 3.45Å; R173-Q177 WeakPolarHBondContact O-CG 3.41Å; R173-Q177 PolarHBondContact O-N 3.4Å; Q174-Q177 PolarHBondContact O-N 2.94Å; Q177-N180 PolarHBondContact O-N 2.74Å; Q177-V181 VanDerWaalsContact O-CB 3.26Å; Q177-V181 WeakPolarHBondContact O-CB 3.35Å; Q177-V181 WeakPolarHBondContact O-CG2 3.42Å; Q177-V181 PolarHBondContact O-N 3.03Å |
| 178 | E | 80 | Confident | 76.5 | Confident | 136 Ų | 136 | 109.3 Ų | 109.3 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 175.8 | -72.9 | 173.7 | -175.2 | 0 | 0 | 111.2 | Q174 V181 F182 | Q174-E178 WeakPolarHBondContact O-CB 3.34Å; Q174-E178 WeakPolarHBondContact O-CG 3.39Å; Q174-E178 PolarHBondContact O-N 3.35Å; E178-V181 PolarHBondContact O-N 2.92Å; E178-F182 WeakPolarHBondContact O-CB 3.47Å; E178-F182 PolarHBondContact O-N 3.35Å |
| 179 | G | 75.9 | Confident | 74.8 | Confident | 29 Ų | 29 | 111.5 Ų | 111.5 | 30% | 0.299 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.7 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q175 F182 I183 | Q175-G179 WeakPolarHBondContact O-CA 3.39Å; Q175-G179 PolarHBondContact O-N 3.37Å; G179-F182 PolarHBondContact O-N 3.12Å; G179-I183 WeakPolarHBondContact O-CB 2.93Å; G179-I183 WeakPolarHBondContact O-CD1 3.2Å; G179-I183 WeakPolarHBondContact O-CG1 3.3Å; G179-I183 PolarHBondContact O-N 3.04Å |
| 180 | N | 73.4 | Confident | 73 | Confident | 105 Ų | 105 | 114.7 Ų | 114.7 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.2 | -39.7 | 175.6 | -78.2 | -15.3 | 0 | 0 | 0 | 111.8 | E176 Q177 F182 I183 L184 | E176-N180 WeakPolarHBondContact O-CB 3.46Å; E176-N180 PolarHBondContact O-N 3.44Å; E176-N180 PolarHBondContact O-ND2 2.64Å; Q177-N180 PolarHBondContact O-N 2.74Å; N180-F182 VanDerWaalsContact C-N 3.32Å; N180-I183 PolarHBondContact O-N 3.26Å; N180-L184 WeakPolarHBondContact O-CB 3.5Å; N180-L184 PolarHBondContact O-N 3.02Å |
| 181 | V | 65.9 | Low | 71.3 | Confident | 82 Ų | 82 | 123.6 Ų | 123.6 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.1 | -39 | 174.9 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | Q177 E178 L184 H185 | Q177-V181 VanDerWaalsContact O-CB 3.26Å; Q177-V181 WeakPolarHBondContact O-CB 3.35Å; Q177-V181 WeakPolarHBondContact O-CG2 3.42Å; Q177-V181 PolarHBondContact O-N 3.03Å; E178-V181 PolarHBondContact O-N 2.92Å; V181-L184 PolarHBondContact O-N 2.92Å; V181-H185 WeakPolarHBondContact O-CB 3.44Å; V181-H185 PolarHBondContact O-N 3.08Å; V181-H185 PolarHBondContact O-ND1 3.26Å; V181-H185 VanDerWaalsContact O-ND1 3.13Å |
| 182 | F | 64.3 | Low | 69.6 | Low | 130 Ų | 130 | 121 Ų | 121 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.4 | -44.9 | 174.6 | -169.9 | -101.6 | 0 | 0 | 0 | 111.2 | E178 G179 N180 L184 H185 L186 | E178-F182 WeakPolarHBondContact O-CB 3.47Å; E178-F182 PolarHBondContact O-N 3.35Å; G179-F182 PolarHBondContact O-N 3.12Å; N180-F182 VanDerWaalsContact C-N 3.32Å; F182-L184 VanDerWaalsContact C-N 3.35Å; F182-L184 PolarHBondContact O-N 2.97Å; F182-H185 CarbonylContact O-C 3.6Å; F182-H185 PolarHBondContact O-N 3.2Å; F182-L186 HydrophobicContact CE1-CD1 4.24Å; F182-L186 HydrophobicContact CE1-CD2 3.84Å; F182-L186 HydrophobicContact CE1-CG 4.44Å; F182-L186 HydrophobicContact CE2-CD1 4.39Å; F182-L186 HydrophobicContact CZ-CD1 3.92Å; F182-L186 HydrophobicContact CZ-CD2 4.27Å; F182-L186 WeakPolarHBondContact O-CB 2.74Å; F182-L186 PolarHBondContact O-N 3.01Å |
| 183 | I | 64.7 | Low | 68 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 51% | 0.508 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.1 | -40.7 | 174.7 | -70 | 164.2 | 0 | 0 | 0 | 110.9 | G179 N180 H185 L186 L187 | G179-I183 WeakPolarHBondContact O-CB 2.93Å; G179-I183 WeakPolarHBondContact O-CD1 3.2Å; G179-I183 WeakPolarHBondContact O-CG1 3.3Å; G179-I183 PolarHBondContact O-N 3.04Å; N180-I183 PolarHBondContact O-N 3.26Å; I183-H185 VanDerWaalsContact C-N 3.34Å; I183-H185 PolarHBondContact O-N 3.03Å; I183-L186 CarbonylContact O-C 3.58Å; I183-L186 PolarHBondContact O-N 2.9Å; I183-L187 HydrophobicContact CG2-CD1 3.88Å; I183-L187 WeakPolarHBondContact O-CB 3.49Å; I183-L187 WeakPolarHBondContact O-CD1 3.34Å; I183-L187 PolarHBondContact O-N 3.3Å |
| 184 | L | 62.8 | Low | 66.6 | Low | 137 Ų | 137 | 124.7 Ų | 124.7 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.8 | -36.5 | 176.7 | -138.5 | 90.9 | 0 | 0 | 0 | 112.2 | N180 V181 F182 | N180-L184 WeakPolarHBondContact O-CB 3.5Å; N180-L184 PolarHBondContact O-N 3.02Å; V181-L184 PolarHBondContact O-N 2.92Å; F182-L184 VanDerWaalsContact C-N 3.35Å; F182-L184 PolarHBondContact O-N 2.97Å |
| 185 | H | 64.5 | Low | 64.6 | Low | 154 Ų | 154 | 132.7 Ų | 132.7 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -78.9 | -26.8 | 176.2 | -85.5 | 70.4 | 0 | 0 | 0 | 113.1 | V181 F182 I183 | V181-H185 WeakPolarHBondContact O-CB 3.44Å; V181-H185 PolarHBondContact O-N 3.08Å; V181-H185 PolarHBondContact O-ND1 3.26Å; V181-H185 VanDerWaalsContact O-ND1 3.13Å; F182-H185 CarbonylContact O-C 3.6Å; F182-H185 PolarHBondContact O-N 3.2Å; I183-H185 VanDerWaalsContact C-N 3.34Å; I183-H185 PolarHBondContact O-N 3.03Å |
| 186 | L | 61.9 | Low | 63.7 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 60% | 0.597 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -96 | 2.7 | -180 | -145.5 | 85.9 | 0 | 0 | 0 | 113.2 | F182 I183 P188 | F182-L186 HydrophobicContact CE1-CD1 4.24Å; F182-L186 HydrophobicContact CE1-CD2 3.84Å; F182-L186 HydrophobicContact CE1-CG 4.44Å; F182-L186 HydrophobicContact CE2-CD1 4.39Å; F182-L186 HydrophobicContact CZ-CD1 3.92Å; F182-L186 HydrophobicContact CZ-CD2 4.27Å; F182-L186 WeakPolarHBondContact O-CB 2.74Å; F182-L186 PolarHBondContact O-N 3.01Å; I183-L186 CarbonylContact O-C 3.58Å; I183-L186 PolarHBondContact O-N 2.9Å; L186-P188 WeakPolarHBondContact O-CD 3.4Å |
| 187 | L | 56.4 | Low | 62.8 | Low | 121 Ų | 121 | 134.5 Ų | 134.5 | 63% | 0.634 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -87.4 | 82.5 | 156.3 | -89.5 | 147.2 | 0 | 0 | 0 | 106.8 | I183 L189 | I183-L187 HydrophobicContact CG2-CD1 3.88Å; I183-L187 WeakPolarHBondContact O-CB 3.49Å; I183-L187 WeakPolarHBondContact O-CD1 3.34Å; I183-L187 PolarHBondContact O-N 3.3Å; L187-L189 PolarHBondContact O-N 3.07Å |
| 188 | P | 60.1 | Low | 61.8 | Low | 90 Ų | 90 | 134.9 Ų | 134.9 | 58% | 0.584 | 70% | 0.697 | S | S | * | * | trans | -57.4 | 139.2 | 166.9 | 28 | -33.2 | 0 | 0 | 0 | 106.6 | L186 C190 | L186-P188 WeakPolarHBondContact O-CD 3.4Å; P188-C190 PolarHBondContact O-N 3.08Å | ||
| 189 | L | 57.7 | Low | 60.7 | Low | 168 Ų | 168 | 134.9 Ų | 134.9 | 88% | 0.88 | 70% | 0.701 | S | S | * | * | trans | -44.5 | 77.1 | 172 | -68.5 | 126.1 | 0 | 0 | 0 | 112.5 | L187 Y191 | L187-L189 PolarHBondContact O-N 3.07Å; L189-Y191 PolarHBondContact O-N 3.02Å | ||
| 190 | C | 54.6 | Low | 59.8 | Low | 111 Ų | 111 | 141.5 Ų | 141.5 | 75% | 0.75 | 73% | 0.726 | S | S | * | * | trans | -89.5 | 47.2 | 164.3 | -70.7 | 0 | 0 | 0 | 0 | 108.9 | P188 | P188-C190 PolarHBondContact O-N 3.08Š| ||
| 191 | Y | 56.7 | Low | 58.9 | Low | 231 Ų | 231 | 143.9 Ų | 143.9 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -139 | 78 | 166.3 | -91.4 | -87.2 | 0 | 0 | 0 | 106.2 | L189 | L189-Y191 PolarHBondContact O-N 3.02Š|
| 192 | G | 55.7 | Low | 58.3 | Low | 64 Ų | 64 | 148.4 Ų | 148.4 | 66% | 0.66 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 174.8 | 24.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||
| 193 | N | 56.4 | Low | 57.9 | Low | 169 Ų | 169 | 149.8 Ų | 149.8 | 90% | 0.904 | 77% | 0.768 | S | S | * | * | trans | -158 | 73.3 | 168.2 | -99.9 | -65.5 | 0 | 0 | 0 | 110.2 | ||||
| 194 | F | 54.5 | Low | 57.3 | Low | 207 Ų | 207 | 154 Ų | 154 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -147.6 | 66.2 | 165.6 | -156.8 | -88.7 | 0 | 0 | 0 | 110 | ||||
| 195 | K | 46.6 | Very low | 56.8 | Low | 282 Ų | 282 | 155.5 Ų | 155.5 | 100% | 1.226 | 80% | 0.796 | S | S | * | * | trans | -172.7 | 0 | 150 | -126.6 | 163.1 | 179.3 | 168 | 0 | 111.4 |
Retrieved 195 of 195 residues in 63.1 ms
(Link to these results)