| 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 | 47.1 | Very low | 53.1 | Low | 235 Ų | 235 | 159.6 Ų | 159.6 | 100% | 1.158 | 86% | 0.855 | S | S | * | * | 0 | 130.3 | 0 | -71.8 | 173 | 179.4 | 0 | 0 | 107.7 | |||||
| 2 | N | 39.3 | Very low | 54.5 | Low | 167 Ų | 167 | 165.3 Ų | 165.3 | 89% | 0.893 | 86% | 0.855 | S | S | * | * | trans | -176.7 | 97.4 | 146.7 | -86.8 | -14.1 | 0 | 0 | 0 | 107.3 | ||||
| 3 | I | 49.2 | Very low | 55.8 | Low | 161 Ų | 161 | 162.8 Ų | 162.8 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | trans | -85.9 | 117.8 | 173.1 | -62 | 158.9 | 0 | 0 | 0 | 105.8 | M5 | I3-M5 HydrophobicContact CG2-CG 4.12Š| ||
| 4 | S | 44.2 | Very low | 57.3 | Low | 118 Ų | 118 | 160.4 Ų | 160.4 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | -113.9 | 101.2 | 167.3 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | G6 | S4-G6 PolarHBondContact O-N 3.36Š| ||
| 5 | M | 49.6 | Very low | 58.9 | Low | 168 Ų | 168 | 159 Ų | 159 | 83% | 0.828 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 121.8 | 176.1 | -74.7 | -131 | -71.4 | 0 | 0 | 110.2 | I3 A7 | I3-M5 HydrophobicContact CG2-CG 4.12Å; M5-A7 PolarHBondContact O-N 3.13Å |
| 6 | G | 48 | Very low | 60.3 | Low | 72 Ų | 72 | 156.6 Ų | 156.6 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 118.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S4 K8 | S4-G6 PolarHBondContact O-N 3.36Å; G6-K8 PolarHBondContact O-N 3.27Å |
| 7 | A | 58.3 | Low | 61.6 | Low | 89 Ų | 89 | 154.1 Ų | 154.1 | 74% | 0.736 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 120.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | M5 N9 | M5-A7 PolarHBondContact O-N 3.13Å; A7-N9 PolarHBondContact O-N 3.31Å; A7-N9 PolarHBondContact O-OD1 2.99Å |
| 8 | K | 57 | Low | 63 | Low | 197 Ų | 197 | 158.3 Ų | 158.3 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 123.5 | 179.4 | -55.9 | 174 | -173.4 | 179.5 | 0 | 110 | G6 K10 | G6-K8 PolarHBondContact O-N 3.27Å; K8-K10 PolarHBondContact O-N 2.99Å |
| 9 | N | 61.3 | Low | 64.4 | Low | 152 Ų | 152 | 155.8 Ų | 155.8 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -68.2 | 96.9 | -174.9 | -36.3 | 3.7 | 0 | 0 | 0 | 109.6 | A7 K11 | A7-N9 PolarHBondContact O-N 3.31Å; A7-N9 PolarHBondContact O-OD1 2.99Å; N9-K11 PolarHBondContact O-N 3.49Å; N9-K11 VanDerWaalsContact O-N 3.12Å | ||
| 10 | K | 64.1 | Low | 65.7 | Low | 195 Ų | 195 | 155.6 Ų | 155.6 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | trans | -72.6 | 101.7 | 169.1 | -67.5 | 179.2 | -179.1 | 176.9 | 0 | 108 | K8 R12 | K8-K10 PolarHBondContact O-N 2.99Å; K10-R12 PolarHBondContact O-N 3.4Å | ||
| 11 | K | 66.2 | Low | 67 | Low | 202 Ų | 202 | 153.2 Ų | 153.2 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -60.3 | 105.8 | 170.5 | -66.4 | -168.9 | -179.2 | -177.2 | 0 | 107.5 | N9 V13 | N9-K11 PolarHBondContact O-N 3.49Å; N9-K11 VanDerWaalsContact O-N 3.12Å; K11-V13 PolarHBondContact O-N 3.43Å; K11-V13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | R | 69.1 | Low | 69.3 | Low | 227 Ų | 227 | 146.1 Ų | 146.1 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -60 | 116.2 | 173.5 | -68.4 | 174 | 66 | 179.3 | -0.1 | 106.4 | K10 V14 | K10-R12 PolarHBondContact O-N 3.4Å; R12-V14 PolarHBondContact O-N 2.88Å | ||
| 13 | V | 71.9 | Confident | 72 | Confident | 133 Ų | 133 | 141.3 Ų | 141.3 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -66.3 | 102.7 | 171.3 | 177.2 | 0 | 0 | 0 | 0 | 106 | K11 L15 | K11-V13 PolarHBondContact O-N 3.43Å; K11-V13 VanDerWaalsContact O-N 3.14Å; V13-L15 PolarHBondContact O-N 3.39Å | ||
| 14 | V | 77.1 | Confident | 74.2 | Confident | 129 Ų | 129 | 138.2 Ų | 138.2 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 117 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 106.4 | R12 | R12-V14 PolarHBondContact O-N 2.88Š|
| 15 | L | 81.3 | Confident | 76.7 | Confident | 140 Ų | 140 | 138.8 Ų | 138.8 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 150.1 | 174.8 | -68.3 | 174.6 | 0 | 0 | 0 | 109.8 | V13 | V13-L15 PolarHBondContact O-N 3.39Š|
| 16 | P | 81.3 | Confident | 78.9 | Confident | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 145.7 | 171.1 | -21 | 31.5 | 0 | 0 | 0 | 110.7 | ||
| 17 | S | 81.9 | Confident | 81.1 | Confident | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -61 | 144.8 | 172.6 | 48.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 18 | R | 87.6 | Confident | 82.8 | Confident | 230 Ų | 230 | 135.8 Ų | 135.8 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 136.6 | 173.3 | -169.9 | -177.1 | -178.7 | -167.4 | -0.4 | 108.9 | ||
| 19 | P | 88.5 | Confident | 84.7 | Confident | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -58 | 153.1 | 170 | -21.5 | 32.2 | 0 | 0 | 0 | 111.2 | ||
| 20 | D | 91.4 | Very high | 86.2 | Confident | 150 Ų | 150 | 128.5 Ų | 128.5 | 80% | 0.802 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 148.7 | 171.3 | -66.8 | -43.5 | 0 | 0 | 0 | 110.5 | ||
| 21 | P | 93.5 | Very high | 87.5 | Confident | 107 Ų | 107 | 122.1 Ų | 122.1 | 70% | 0.695 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 153.1 | 173.1 | 28 | -34.3 | 0 | 0 | 0 | 110.7 | ||
| 22 | P | 94.3 | Very high | 88.8 | Confident | 86 Ų | 86 | 119 Ų | 119 | 56% | 0.558 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -63 | 151.4 | 179.3 | 27.6 | -35.2 | 0 | 0 | 0 | 111.5 | I27 | P22-I27 HydrophobicContact CB-CG1 4.27Å; P22-I27 HydrophobicContact CG-CD1 4.28Å; P22-I27 HydrophobicContact CG-CG1 4.25Å |
| 23 | T | 95.8 | Very high | 89.9 | Confident | 66 Ų | 66 | 116.4 Ų | 116.4 | 41% | 0.405 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -80.1 | 164.3 | 172.8 | 77.8 | 0 | 0 | 0 | 0 | 111.3 | E25 Q26 I27 | T23-E25 VanDerWaalsContact CB-OE2 3.32Å; T23-E25 WeakPolarHBondContact CB-OE2 3.38Å; T23-E25 PolarHBondContact O-N 3.25Å; T23-E25 PolarHBondContact OG1-OE2 3Å; T23-Q26 PolarHBondContact O-N 2.95Å; T23-Q26 PolarHBondContact OG1-N 3.45Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 2.9Å; T23-I27 VanDerWaalsContact O-N 3.16Å |
| 24 | V | 95.5 | Very high | 90.9 | Very high | 96 Ų | 96 | 111.4 Ų | 111.4 | 58% | 0.582 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60 | -39.2 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | Q26 I27 L28 | V24-Q26 VanDerWaalsContact C-N 3.34Å; V24-Q26 PolarHBondContact O-N 3.15Å; V24-I27 PolarHBondContact O-N 3.29Å; V24-L28 HydrophobicContact CG1-CD1 4.03Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 3.18Å |
| 25 | E | 97 | Very high | 91.6 | Very high | 129 Ų | 129 | 112.6 Ų | 112.6 | 60% | 0.603 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.6 | -41 | -179.5 | -62.3 | 69.2 | -149.7 | 0 | 0 | 111.6 | T23 L28 E29 | T23-E25 VanDerWaalsContact CB-OE2 3.32Å; T23-E25 WeakPolarHBondContact CB-OE2 3.38Å; T23-E25 PolarHBondContact O-N 3.25Å; T23-E25 PolarHBondContact OG1-OE2 3Å; E25-L28 PolarHBondContact O-N 3.03Å; E25-E29 WeakPolarHBondContact O-CB 3.33Å; E25-E29 PolarHBondContact O-N 3.37Å |
| 26 | Q | 95.6 | Very high | 91.7 | Very high | 97 Ų | 97 | 111.4 Ų | 111.4 | 45% | 0.453 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66 | -40.9 | 177.6 | -68.1 | 174.1 | -37.7 | 0 | 0 | 111.3 | T23 V24 L28 E29 D30 | T23-Q26 PolarHBondContact O-N 2.95Å; T23-Q26 PolarHBondContact OG1-N 3.45Å; V24-Q26 VanDerWaalsContact C-N 3.34Å; V24-Q26 PolarHBondContact O-N 3.15Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; Q26-L28 PolarHBondContact O-N 2.98Å; Q26-E29 PolarHBondContact O-N 2.9Å; Q26-D30 PolarHBondContact O-N 3.46Å; Q26-D30 VanDerWaalsContact O-N 3.08Å |
| 27 | I | 93.8 | Very high | 92 | Very high | 79 Ų | 79 | 111.4 Ų | 111.4 | 41% | 0.405 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.3 | -44.4 | 175.4 | -65.1 | 166.1 | 0 | 0 | 0 | 110.5 | P22 T23 V24 D30 I31 | P22-I27 HydrophobicContact CB-CG1 4.27Å; P22-I27 HydrophobicContact CG-CD1 4.28Å; P22-I27 HydrophobicContact CG-CG1 4.25Å; T23-I27 WeakPolarHBondContact O-CG1 3.3Å; T23-I27 PolarHBondContact O-N 2.9Å; T23-I27 VanDerWaalsContact O-N 3.16Å; V24-I27 PolarHBondContact O-N 3.29Å; I27-D30 PolarHBondContact O-N 2.95Å; I27-I31 HydrophobicContact CG2-CD1 3.85Å; I27-I31 VanDerWaalsContact O-CG1 3.3Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 3.43Å |
| 28 | L | 94.6 | Very high | 92.2 | Very high | 90 Ų | 90 | 108.5 Ų | 108.5 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.3 | -36.5 | 179 | -70.4 | 174.9 | 0 | 0 | 0 | 112.3 | V24 E25 Q26 I31 N32 | V24-L28 HydrophobicContact CG1-CD1 4.03Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 3.18Å; E25-L28 PolarHBondContact O-N 3.03Å; Q26-L28 VanDerWaalsContact C-N 3.34Å; Q26-L28 PolarHBondContact O-N 2.98Å; L28-I31 PolarHBondContact O-N 3.03Å; L28-N32 WeakPolarHBondContact O-CB 3.46Å; L28-N32 VanDerWaalsContact O-CG 3.25Å; L28-N32 PolarHBondContact O-N 3.48Å; L28-N32 PolarHBondContact O-ND2 2.89Å |
| 29 | E | 96 | Very high | 92.1 | Very high | 84 Ų | 84 | 101.6 Ų | 101.6 | 39% | 0.393 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.5 | -46.8 | 173.5 | -176.6 | 179.1 | 174.1 | 0 | 0 | 111.2 | E25 Q26 N32 R33 | E25-E29 WeakPolarHBondContact O-CB 3.33Å; E25-E29 PolarHBondContact O-N 3.37Å; Q26-E29 PolarHBondContact O-N 2.9Å; E29-N32 PolarHBondContact O-N 2.99Å; E29-R33 WeakPolarHBondContact O-CG 3.48Å; E29-R33 PolarHBondContact O-N 3.39Å; E29-R33 VanDerWaalsContact O-N 3.07Å; E29-R33 IonicContact OE1-CZ 3.81Å; E29-R33 IonicContact OE1-NE 2.63Å; E29-R33 IonicContact OE1-NH1 2.9Å; E29-R33 PolarHBondContact OE1-NH1 3.4Å; E29-R33 IonicContact OE1-NH2 2.68Å; E29-R33 PolarHBondContact OE1-NH2 3.34Å |
| 30 | D | 93.4 | Very high | 91.8 | Very high | 112 Ų | 112 | 99.7 Ų | 99.7 | 60% | 0.599 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 178.4 | -74.7 | -10.9 | 0 | 0 | 0 | 111.7 | Q26 I27 N32 R33 A34 | Q26-D30 PolarHBondContact O-N 3.46Å; Q26-D30 VanDerWaalsContact O-N 3.08Å; I27-D30 PolarHBondContact O-N 2.95Å; D30-N32 PolarHBondContact O-N 3.46Å; D30-R33 PolarHBondContact O-N 3.32Å; D30-A34 PolarHBondContact O-N 3.45Å |
| 31 | I | 91.4 | Very high | 91.5 | Very high | 61 Ų | 61 | 96.7 Ų | 96.7 | 31% | 0.313 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.4 | -68.3 | 166.8 | 0 | 0 | 0 | 111 | I27 L28 R33 A34 F41 | I27-I31 HydrophobicContact CG2-CD1 3.85Å; I27-I31 VanDerWaalsContact O-CG1 3.3Å; I27-I31 WeakPolarHBondContact O-CG1 3.36Å; I27-I31 PolarHBondContact O-N 3.43Å; L28-I31 PolarHBondContact O-N 3.03Å; I31-R33 PolarHBondContact O-N 3.49Å; I31-A34 WeakPolarHBondContact O-CB 3.5Å; I31-A34 PolarHBondContact O-N 3.01Å; I31-F41 HydrophobicContact CG2-CE1 4.03Å; I31-F41 HydrophobicContact CG2-CZ 4.13Å |
| 32 | N | 93.1 | Very high | 90.7 | Very high | 136 Ų | 136 | 94.4 Ų | 94.4 | 73% | 0.727 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.3 | -23.6 | -179.4 | -74.4 | -42.9 | 0 | 0 | 0 | 113.1 | L28 E29 D30 | L28-N32 WeakPolarHBondContact O-CB 3.46Å; L28-N32 VanDerWaalsContact O-CG 3.25Å; L28-N32 PolarHBondContact O-N 3.48Å; L28-N32 PolarHBondContact O-ND2 2.89Å; E29-N32 PolarHBondContact O-N 2.99Å; D30-N32 PolarHBondContact O-N 3.46Å |
| 33 | R | 93.8 | Very high | 89.4 | Confident | 174 Ų | 174 | 94.8 Ų | 94.8 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -90.5 | -13 | 176 | -73.6 | -177.1 | 174.7 | 157.2 | 12.5 | 113.7 | E29 D30 I31 | E29-R33 WeakPolarHBondContact O-CG 3.48Å; E29-R33 PolarHBondContact O-N 3.39Å; E29-R33 VanDerWaalsContact O-N 3.07Å; E29-R33 IonicContact OE1-CZ 3.81Å; E29-R33 IonicContact OE1-NE 2.63Å; E29-R33 IonicContact OE1-NH1 2.9Å; E29-R33 PolarHBondContact OE1-NH1 3.4Å; E29-R33 IonicContact OE1-NH2 2.68Å; E29-R33 PolarHBondContact OE1-NH2 3.34Å; D30-R33 PolarHBondContact O-N 3.32Å; I31-R33 PolarHBondContact O-N 3.49Å |
| 34 | A | 92.7 | Very high | 87.6 | Confident | 27 Ų | 27 | 96.4 Ų | 96.4 | 22% | 0.223 | 51% | 0.505 | C | S | . | . | S | Bend | trans | -62.9 | 145.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D30 I31 D38 V40 F41 | D30-A34 PolarHBondContact O-N 3.45Å; I31-A34 WeakPolarHBondContact O-CB 3.5Å; I31-A34 PolarHBondContact O-N 3.01Å; A34-D38 HydrophobicContact CB-CB 3.99Å; A34-V40 HydrophobicContact CB-CG1 4.01Å; A34-F41 HydrophobicContact CB-CE2 3.63Å; A34-F41 HydrophobicContact CB-CZ 4.01Å |
| 35 | F | 91 | Very high | 85.8 | Confident | 154 Ų | 154 | 97.5 Ų | 97.5 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | trans | -73 | 157.4 | 176.9 | -67.6 | -78.4 | 0 | 0 | 0 | 111 | N37 D38 F41 | F35-N37 WeakPolarHBondContact CB-OD1 3.36Å; F35-N37 PolarHBondContact O-N 3.5Å; F35-N37 VanDerWaalsContact O-N 3.15Å; F35-D38 WeakPolarHBondContact O-CB 3.45Å; F35-D38 PolarHBondContact O-N 2.92Å; F35-F41 WeakPolarHBondContact O-CD2 3.19Å; F35-F41 WeakPolarHBondContact O-CE2 3.36Å | ||
| 36 | S | 84.5 | Confident | 83.8 | Confident | 115 Ų | 115 | 99 Ų | 99 | 80% | 0.804 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.1 | 179.6 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 37 | N | 86.2 | Confident | 81.8 | Confident | 121 Ų | 121 | 96.8 Ų | 96.8 | 65% | 0.647 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 7.7 | 174.3 | 66.3 | -23 | 0 | 0 | 0 | 113.3 | F35 | F35-N37 WeakPolarHBondContact CB-OD1 3.36Å; F35-N37 PolarHBondContact O-N 3.5Å; F35-N37 VanDerWaalsContact O-N 3.15Å |
| 38 | D | 87.6 | Confident | 79.6 | Confident | 53 Ų | 53 | 95.2 Ų | 95.2 | 28% | 0.283 | 51% | 0.512 | S | S | . | . | trans | -66.6 | 134.9 | -178.8 | -167.6 | -59.2 | 0 | 0 | 0 | 110.8 | A34 F35 V40 F41 N42 | A34-D38 HydrophobicContact CB-CB 3.99Å; F35-D38 WeakPolarHBondContact O-CB 3.45Å; F35-D38 PolarHBondContact O-N 2.92Å; D38-V40 HydrophobicContact CB-CG1 4.03Å; D38-V40 PolarHBondContact O-N 3Å; D38-V40 WeakPolarHBondContact OD1-CB 3.49Å; D38-V40 WeakPolarHBondContact OD1-CG1 3.44Å; D38-V40 PolarHBondContact OD1-N 2.68Å; D38-F41 HydrophobicContact CB-CD2 4.03Å; D38-F41 HydrophobicContact CB-CE2 4.25Å; D38-F41 PolarHBondContact O-N 2.91Å; D38-N42 PolarHBondContact O-ND2 3.41Å | ||
| 39 | P | 83.9 | Confident | 77.5 | Confident | 85 Ų | 85 | 99.3 Ų | 99.3 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -51.2 | -28.6 | 175.1 | -27.9 | 35.1 | 0 | 0 | 0 | 114.3 | F41 N42 V43 | P39-F41 PolarHBondContact O-N 2.91Å; P39-N42 CarbonylContact O-C 3.56Å; P39-N42 PolarHBondContact O-N 3.25Å; P39-V43 HydrophobicContact CB-CG2 4.34Å; P39-V43 WeakPolarHBondContact O-CB 3.48Å; P39-V43 WeakPolarHBondContact O-CG2 3.36Å; P39-V43 PolarHBondContact O-N 2.97Å |
| 40 | V | 83.6 | Confident | 75.4 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -53.8 | -29.4 | 177.4 | 76.4 | 0 | 0 | 0 | 0 | 112.7 | A34 D38 | A34-V40 HydrophobicContact CB-CG1 4.01Å; D38-V40 HydrophobicContact CB-CG1 4.03Å; D38-V40 PolarHBondContact O-N 3Å; D38-V40 WeakPolarHBondContact OD1-CB 3.49Å; D38-V40 WeakPolarHBondContact OD1-CG1 3.44Å; D38-V40 PolarHBondContact OD1-N 2.68Å |
| 41 | F | 84.7 | Confident | 73.2 | Confident | 88 Ų | 88 | 101.8 Ų | 101.8 | 39% | 0.386 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -92 | -22.8 | 177.2 | -56.3 | -62.5 | 0 | 0 | 0 | 113.4 | I31 A34 F35 D38 P39 | I31-F41 HydrophobicContact CG2-CE1 4.03Å; I31-F41 HydrophobicContact CG2-CZ 4.13Å; A34-F41 HydrophobicContact CB-CE2 3.63Å; A34-F41 HydrophobicContact CB-CZ 4.01Å; F35-F41 WeakPolarHBondContact O-CD2 3.19Å; F35-F41 WeakPolarHBondContact O-CE2 3.36Å; D38-F41 HydrophobicContact CB-CD2 4.03Å; D38-F41 HydrophobicContact CB-CE2 4.25Å; D38-F41 PolarHBondContact O-N 2.91Å; P39-F41 PolarHBondContact O-N 2.91Å |
| 42 | N | 76.1 | Confident | 71.3 | Confident | 58 Ų | 58 | 106.4 Ų | 106.4 | 31% | 0.31 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -102.4 | -14.2 | -174.6 | -59.8 | -38.6 | 0 | 0 | 0 | 114 | D38 P39 L44 E45 D46 | D38-N42 PolarHBondContact O-ND2 3.41Å; P39-N42 CarbonylContact O-C 3.56Å; P39-N42 PolarHBondContact O-N 3.25Å; N42-L44 PolarHBondContact O-N 3.42Å; N42-L44 VanDerWaalsContact O-N 3.07Å; N42-E45 PolarHBondContact O-N 3.41Å; N42-D46 PolarHBondContact O-N 3.21Å |
| 43 | V | 67.6 | Low | 69.1 | Low | 95 Ų | 95 | 108.7 Ų | 108.7 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -27.4 | 177.1 | 159.4 | 0 | 0 | 0 | 0 | 111.8 | P39 | P39-V43 HydrophobicContact CB-CG2 4.34Å; P39-V43 WeakPolarHBondContact O-CB 3.48Å; P39-V43 WeakPolarHBondContact O-CG2 3.36Å; P39-V43 PolarHBondContact O-N 2.97Å |
| 44 | L | 57.8 | Low | 66.7 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 52% | 0.518 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | -15.9 | 176.1 | -60.9 | 174.2 | 0 | 0 | 0 | 113.3 | N42 N48 | N42-L44 PolarHBondContact O-N 3.42Å; N42-L44 VanDerWaalsContact O-N 3.07Å; L44-N48 WeakPolarHBondContact CA-ND2 3.29Å; L44-N48 WeakPolarHBondContact CB-ND2 3.45Å; L44-N48 WeakPolarHBondContact CD2-ND2 3.41Å; L44-N48 VanDerWaalsContact O-CA 3.31Å; L44-N48 WeakPolarHBondContact O-CA 2.94Å; L44-N48 WeakPolarHBondContact O-CB 3.45Å; L44-N48 PolarHBondContact O-N 3.04Å; L44-N48 PolarHBondContact O-ND2 2.98Å; L44-N48 VanDerWaalsContact O-ND2 3.14Å |
| 45 | E | 58.3 | Low | 64.7 | Low | 119 Ų | 119 | 106.4 Ų | 106.4 | 56% | 0.556 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -36 | 175.9 | -64.4 | -155.2 | 152.8 | 0 | 0 | 111.7 | N42 G47 | N42-E45 PolarHBondContact O-N 3.41Å; E45-G47 VanDerWaalsContact C-N 3.32Å |
| 46 | D | 54.9 | Low | 63 | Low | 160 Ų | 160 | 104.6 Ų | 104.6 | 86% | 0.856 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -18.6 | 175.4 | -69.1 | -33.8 | 0 | 0 | 0 | 113 | N42 | N42-D46 PolarHBondContact O-N 3.21Š|
| 47 | G | 53 | Low | 61.6 | Low | 52 Ų | 52 | 104.8 Ų | 104.8 | 54% | 0.536 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -114.1 | -10 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | E45 | E45-G47 VanDerWaalsContact C-N 3.32Š|
| 48 | N | 48.3 | Very low | 60.9 | Low | 45 Ų | 45 | 101.9 Ų | 101.9 | 24% | 0.241 | 57% | 0.571 | C | S | . | * | trans | -135.5 | 53.7 | -175.7 | -56.1 | -82.8 | 0 | 0 | 0 | 113.7 | L44 D50 T51 | L44-N48 WeakPolarHBondContact CA-ND2 3.29Å; L44-N48 WeakPolarHBondContact CB-ND2 3.45Å; L44-N48 WeakPolarHBondContact CD2-ND2 3.41Å; L44-N48 VanDerWaalsContact O-CA 3.31Å; L44-N48 WeakPolarHBondContact O-CA 2.94Å; L44-N48 WeakPolarHBondContact O-CB 3.45Å; L44-N48 PolarHBondContact O-N 3.04Å; L44-N48 PolarHBondContact O-ND2 2.98Å; L44-N48 VanDerWaalsContact O-ND2 3.14Å; N48-D50 PolarHBondContact O-N 3.47Å; N48-T51 WeakPolarHBondContact CB-OG1 3.49Å; N48-T51 VanDerWaalsContact CG-OG1 3.26Å; N48-T51 PolarHBondContact OD1-OG1 3.04Å | ||
| 49 | Q | 49.5 | Very low | 60.8 | Low | 177 Ų | 177 | 105 Ų | 105 | 83% | 0.827 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -11.6 | 146.4 | -71.2 | -75.3 | -30.8 | 0 | 0 | 111.6 | ||
| 50 | D | 51.3 | Low | 61 | Low | 154 Ų | 154 | 104 Ų | 104 | 82% | 0.824 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -6.1 | -173.6 | -71.2 | -29.4 | 0 | 0 | 0 | 116.6 | N48 | N48-D50 PolarHBondContact O-N 3.47Š|
| 51 | T | 48.7 | Very low | 61.3 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 57% | 0.571 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.6 | -4.3 | -173.3 | 71.5 | 0 | 0 | 0 | 0 | 117.7 | N48 R53 | N48-T51 WeakPolarHBondContact CB-OG1 3.49Å; N48-T51 VanDerWaalsContact CG-OG1 3.26Å; N48-T51 PolarHBondContact OD1-OG1 3.04Å; T51-R53 PolarHBondContact O-N 3.12Å |
| 52 | K | 51 | Low | 61.6 | Low | 158 Ų | 158 | 104.3 Ų | 104.3 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -79.2 | 98.1 | 166.6 | -82.5 | -176.3 | -176.4 | 171.7 | 0 | 109.7 | ||
| 53 | R | 45.8 | Very low | 62.5 | Low | 185 Ų | 185 | 107.2 Ų | 107.2 | 70% | 0.698 | 60% | 0.596 | S | S | * | * | trans | 113.1 | 79 | 156.3 | -147.2 | 166.4 | -165.4 | -128.5 | 2.9 | 114.1 | T51 S55 N58 | T51-R53 PolarHBondContact O-N 3.12Å; R53-S55 PolarHBondContact O-N 3.04Å; R53-N58 WeakPolarHBondContact O-CB 3.5Å; R53-N58 PolarHBondContact O-ND2 3.04Å | ||
| 54 | G | 43.7 | Very low | 63.8 | Low | 92 Ų | 92 | 109 Ų | 109 | 95% | 0.948 | 59% | 0.593 | S | S | * | * | trans | -59.8 | 91.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 55 | S | 52 | Low | 65.6 | Low | 60 Ų | 60 | 107 Ų | 107 | 42% | 0.42 | 58% | 0.583 | S | S | . | * | trans | -139.4 | 137.3 | 156 | -177.7 | 0 | 0 | 0 | 0 | 104.7 | R53 D57 N58 | R53-S55 PolarHBondContact O-N 3.04Å; S55-D57 PolarHBondContact O-N 3.3Å; S55-N58 WeakPolarHBondContact O-CB 3.41Å; S55-N58 PolarHBondContact O-N 3.44Å | ||
| 56 | S | 54.5 | Low | 67.4 | Low | 117 Ų | 117 | 107.6 Ų | 107.6 | 82% | 0.818 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | -18.9 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 113.6 | N58 | S56-N58 VanDerWaalsContact C-N 3.29Å; S56-N58 PolarHBondContact O-N 3Å |
| 57 | D | 55.9 | Low | 69.5 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 64% | 0.636 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.9 | -20.5 | 174.7 | -138.7 | 23.4 | 0 | 0 | 0 | 114.2 | S55 | S55-D57 PolarHBondContact O-N 3.3Å |
| 58 | N | 71.3 | Confident | 71.6 | Confident | 60 Ų | 60 | 107.3 Ų | 107.3 | 32% | 0.321 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -86.9 | -24.9 | -172.6 | -153.4 | 16.6 | 0 | 0 | 0 | 113.2 | R53 S55 S56 T62 | R53-N58 WeakPolarHBondContact O-CB 3.5Å; R53-N58 PolarHBondContact O-ND2 3.04Å; S55-N58 WeakPolarHBondContact O-CB 3.41Å; S55-N58 PolarHBondContact O-N 3.44Å; S56-N58 VanDerWaalsContact C-N 3.29Å; S56-N58 PolarHBondContact O-N 3Å; N58-T62 WeakPolarHBondContact O-CB 3.44Å; N58-T62 WeakPolarHBondContact O-CG2 3.36Å; N58-T62 PolarHBondContact O-N 3.09Å; N58-T62 PolarHBondContact O-OG1 3.41Å |
| 59 | E | 84.9 | Confident | 74 | Confident | 117 Ų | 117 | 112.3 Ų | 112.3 | 55% | 0.547 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.6 | -38.3 | 178.7 | -166.6 | -172.4 | 158.2 | 0 | 0 | 111.9 | T62 K63 | E59-T62 VanDerWaalsContact CA-OG1 3.28Å; E59-T62 WeakPolarHBondContact CA-OG1 3.38Å; E59-T62 PolarHBondContact O-OG1 3.5Å; E59-K63 HydrophobicContact CG-CD 4.36Å; E59-K63 WeakPolarHBondContact O-CB 3.46Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 PolarHBondContact O-N 2.97Å; E59-K63 WeakPolarHBondContact OE1-CE 3.32Å; E59-K63 IonicContact OE1-NZ 2.69Å; E59-K63 PolarHBondContact OE1-NZ 3.4Å |
| 60 | A | 88.6 | Confident | 76.3 | Confident | 66 Ų | 66 | 111 Ų | 111 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.9 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | K63 Y64 | A60-K63 PolarHBondContact O-N 3.4Å; A60-Y64 WeakPolarHBondContact O-CB 3.49Å; A60-Y64 PolarHBondContact O-N 3.48Å |
| 61 | E | 89.8 | Confident | 78.5 | Confident | 96 Ų | 96 | 108.2 Ų | 108.2 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.1 | -45.9 | 176.7 | -171.8 | 63.3 | -148.8 | 0 | 0 | 111.7 | K63 Y64 L65 | E61-K63 PolarHBondContact O-N 3.26Å; E61-Y64 WeakPolarHBondContact O-CB 3.38Å; E61-Y64 PolarHBondContact O-N 3.08Å; E61-L65 HydrophobicContact CG-CD1 4.35Å; E61-L65 WeakPolarHBondContact O-CG 3.16Å; E61-L65 PolarHBondContact O-N 3.19Å |
| 62 | T | 89.9 | Confident | 80.9 | Confident | 68 Ų | 68 | 109.1 Ų | 109.1 | 42% | 0.417 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.5 | -43.9 | 177.7 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | N58 E59 L65 Q66 | N58-T62 WeakPolarHBondContact O-CB 3.44Å; N58-T62 WeakPolarHBondContact O-CG2 3.36Å; N58-T62 PolarHBondContact O-N 3.09Å; N58-T62 PolarHBondContact O-OG1 3.41Å; E59-T62 VanDerWaalsContact CA-OG1 3.28Å; E59-T62 WeakPolarHBondContact CA-OG1 3.38Å; E59-T62 PolarHBondContact O-OG1 3.5Å; T62-L65 PolarHBondContact O-N 2.95Å; T62-Q66 WeakPolarHBondContact O-CB 3.48Å; T62-Q66 PolarHBondContact O-N 2.94Å |
| 63 | K | 94.9 | Very high | 83.1 | Confident | 119 Ų | 119 | 106.9 Ų | 106.9 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 174.6 | -76.4 | 173.4 | 173 | 168.3 | 0 | 112.3 | E59 A60 E61 Q66 S67 | E59-K63 HydrophobicContact CG-CD 4.36Å; E59-K63 WeakPolarHBondContact O-CB 3.46Å; E59-K63 WeakPolarHBondContact O-CG 3.34Å; E59-K63 PolarHBondContact O-N 2.97Å; E59-K63 WeakPolarHBondContact OE1-CE 3.32Å; E59-K63 IonicContact OE1-NZ 2.69Å; E59-K63 PolarHBondContact OE1-NZ 3.4Å; A60-K63 PolarHBondContact O-N 3.4Å; E61-K63 PolarHBondContact O-N 3.26Å; K63-Q66 PolarHBondContact O-N 2.93Å; K63-S67 WeakPolarHBondContact O-CB 3.49Å; K63-S67 PolarHBondContact O-N 3.18Å |
| 64 | Y | 95.4 | Very high | 85.7 | Confident | 133 Ų | 133 | 100.2 Ų | 100.2 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 175.6 | 169.9 | -104 | 0 | 0 | 0 | 111.3 | A60 E61 Q66 S67 R68 | A60-Y64 WeakPolarHBondContact O-CB 3.49Å; A60-Y64 PolarHBondContact O-N 3.48Å; E61-Y64 WeakPolarHBondContact O-CB 3.38Å; E61-Y64 PolarHBondContact O-N 3.08Å; Y64-Q66 VanDerWaalsContact C-N 3.31Å; Y64-Q66 PolarHBondContact O-N 3.15Å; Y64-S67 PolarHBondContact O-N 3.33Å; Y64-R68 WeakPolarHBondContact O-CB 3.5Å; Y64-R68 PolarHBondContact O-N 3.45Å |
| 65 | L | 96.2 | Very high | 88.3 | Confident | 58 Ų | 58 | 101.7 Ų | 101.7 | 30% | 0.304 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 178.3 | -68.4 | 175.2 | 0 | 0 | 0 | 112.1 | E61 T62 R68 R69 | E61-L65 HydrophobicContact CG-CD1 4.35Å; E61-L65 WeakPolarHBondContact O-CG 3.16Å; E61-L65 PolarHBondContact O-N 3.19Å; T62-L65 PolarHBondContact O-N 2.95Å; L65-R68 PolarHBondContact O-N 2.96Å; L65-R69 WeakPolarHBondContact O-CG 3.22Å; L65-R69 PolarHBondContact O-N 2.93Å |
| 66 | Q | 96.7 | Very high | 90.5 | Very high | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -46.4 | 174.5 | -176.4 | -179.8 | -4.5 | 0 | 0 | 111.8 | T62 K63 Y64 R68 R69 Y70 | T62-Q66 WeakPolarHBondContact O-CB 3.48Å; T62-Q66 PolarHBondContact O-N 2.94Å; K63-Q66 PolarHBondContact O-N 2.93Å; Y64-Q66 VanDerWaalsContact C-N 3.31Å; Y64-Q66 PolarHBondContact O-N 3.15Å; Q66-R68 VanDerWaalsContact C-N 3.34Å; Q66-R68 PolarHBondContact O-N 2.91Å; Q66-R69 PolarHBondContact O-N 3.03Å; Q66-Y70 WeakPolarHBondContact O-CB 3.31Å; Q66-Y70 PolarHBondContact O-N 2.94Å |
| 67 | S | 97.4 | Very high | 92.6 | Very high | 65 Ų | 65 | 106.6 Ų | 106.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 177 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | K63 Y64 Y70 L71 | K63-S67 WeakPolarHBondContact O-CB 3.49Å; K63-S67 PolarHBondContact O-N 3.18Å; Y64-S67 PolarHBondContact O-N 3.33Å; S67-Y70 WeakPolarHBondContact O-CB 3.42Å; S67-Y70 PolarHBondContact O-N 3.12Å; S67-L71 WeakPolarHBondContact O-CG 3.4Å; S67-L71 PolarHBondContact O-N 3.43Å |
| 68 | R | 97.8 | Very high | 94.6 | Very high | 141 Ų | 141 | 105.6 Ų | 105.6 | 53% | 0.532 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.6 | -48 | 177.4 | -167.3 | -175.8 | 117.2 | 173.9 | 2.7 | 111.9 | Y64 L65 Q66 Y70 L71 E72 | Y64-R68 WeakPolarHBondContact O-CB 3.5Å; Y64-R68 PolarHBondContact O-N 3.45Å; L65-R68 PolarHBondContact O-N 2.96Å; Q66-R68 VanDerWaalsContact C-N 3.34Å; Q66-R68 PolarHBondContact O-N 2.91Å; R68-Y70 VanDerWaalsContact C-N 3.3Å; R68-Y70 PolarHBondContact O-N 2.98Å; R68-L71 PolarHBondContact O-N 3.42Å; R68-E72 PolarHBondContact O-N 3.49Å |
| 69 | R | 98.1 | Very high | 95.9 | Very high | 149 Ų | 149 | 108.7 Ų | 108.7 | 56% | 0.562 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -39.3 | 176 | -75.7 | -171.9 | -69.4 | -101.7 | 3 | 112.2 | L65 Q66 M73 | L65-R69 WeakPolarHBondContact O-CG 3.22Å; L65-R69 PolarHBondContact O-N 2.93Å; Q66-R69 PolarHBondContact O-N 3.03Å; R69-M73 WeakPolarHBondContact O-CB 3.09Å; R69-M73 PolarHBondContact O-N 3.26Å |
| 70 | Y | 98.1 | Very high | 96.6 | Very high | 150 Ų | 150 | 106.5 Ų | 106.5 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 176.4 | 172.6 | -94.3 | 0 | 0 | 0 | 111.6 | Q66 S67 R68 M73 N74 | Q66-Y70 WeakPolarHBondContact O-CB 3.31Å; Q66-Y70 PolarHBondContact O-N 2.94Å; S67-Y70 WeakPolarHBondContact O-CB 3.42Å; S67-Y70 PolarHBondContact O-N 3.12Å; R68-Y70 VanDerWaalsContact C-N 3.3Å; R68-Y70 PolarHBondContact O-N 2.98Å; Y70-M73 PolarHBondContact O-N 3.23Å; Y70-N74 VanDerWaalsContact O-CB 3.31Å; Y70-N74 WeakPolarHBondContact O-CB 3.4Å; Y70-N74 PolarHBondContact O-N 3.46Å; Y70-N74 PolarHBondContact OH-ND2 2.84Å |
| 71 | L | 98.6 | Very high | 97 | Very high | 95 Ų | 95 | 110.7 Ų | 110.7 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 178.3 | -71 | 174.3 | 0 | 0 | 0 | 111.6 | S67 R68 M73 N74 E75 | S67-L71 WeakPolarHBondContact O-CG 3.4Å; S67-L71 PolarHBondContact O-N 3.43Å; R68-L71 PolarHBondContact O-N 3.42Å; L71-M73 VanDerWaalsContact C-N 3.33Å; L71-M73 PolarHBondContact O-N 3.35Å; L71-N74 WeakPolarHBondContact O-CB 3.37Å; L71-N74 PolarHBondContact O-N 3.03Å; L71-N74 VanDerWaalsContact O-N 3.08Å; L71-E75 WeakPolarHBondContact O-CG 3.05Å; L71-E75 PolarHBondContact O-N 2.69Å |
| 72 | E | 98.3 | Very high | 97.4 | Very high | 112 Ų | 112 | 108 Ų | 108 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -45.3 | 176.6 | -177.1 | -179.1 | 174.7 | 0 | 0 | 111.6 | R68 N74 E75 R76 | R68-E72 PolarHBondContact O-N 3.49Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.04Å; E72-E75 PolarHBondContact O-N 2.72Å; E72-R76 PolarHBondContact O-N 3Å; E72-R76 VanDerWaalsContact O-N 3.12Å |
| 73 | M | 98.3 | Very high | 97.9 | Very high | 111 Ų | 111 | 110.3 Ų | 110.3 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 175.8 | -175.4 | 62.5 | 77.2 | 0 | 0 | 111.9 | R69 Y70 L71 R76 L77 | R69-M73 WeakPolarHBondContact O-CB 3.09Å; R69-M73 PolarHBondContact O-N 3.26Å; Y70-M73 PolarHBondContact O-N 3.23Å; L71-M73 VanDerWaalsContact C-N 3.33Å; L71-M73 PolarHBondContact O-N 3.35Å; M73-R76 PolarHBondContact O-N 3.07Å; M73-L77 HydrophobicContact CG-CD1 4.25Å; M73-L77 WeakPolarHBondContact O-CB 3.36Å; M73-L77 VanDerWaalsContact O-CG 3.31Å; M73-L77 WeakPolarHBondContact O-CG 3.39Å; M73-L77 PolarHBondContact O-N 3.43Å |
| 74 | N | 98.6 | Very high | 98 | Very high | 46 Ų | 46 | 109.6 Ų | 109.6 | 25% | 0.246 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 179.2 | -162.8 | -47.9 | 0 | 0 | 0 | 111.2 | Y70 L71 E72 R76 L77 Q78 | Y70-N74 VanDerWaalsContact O-CB 3.31Å; Y70-N74 WeakPolarHBondContact O-CB 3.4Å; Y70-N74 PolarHBondContact O-N 3.46Å; Y70-N74 PolarHBondContact OH-ND2 2.84Å; L71-N74 WeakPolarHBondContact O-CB 3.37Å; L71-N74 PolarHBondContact O-N 3.03Å; L71-N74 VanDerWaalsContact O-N 3.08Å; E72-N74 VanDerWaalsContact C-N 3.33Å; E72-N74 PolarHBondContact O-N 3.04Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 2.92Å; N74-L77 WeakPolarHBondContact O-CB 3.42Å; N74-L77 PolarHBondContact O-N 2.85Å; N74-Q78 WeakPolarHBondContact O-CG 3.4Å; N74-Q78 PolarHBondContact O-N 2.88Å; N74-Q78 PolarHBondContact OD1-NE2 3.06Å |
| 75 | E | 98.5 | Very high | 98.2 | Very high | 123 Ų | 123 | 106.5 Ų | 106.5 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.4 | -49.5 | 174.2 | -74.4 | 175.5 | 175.3 | 0 | 0 | 110.7 | L71 E72 L77 Q78 E79 | L71-E75 WeakPolarHBondContact O-CG 3.05Å; L71-E75 PolarHBondContact O-N 2.69Å; E72-E75 PolarHBondContact O-N 2.72Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.5Å; E75-Q78 WeakPolarHBondContact O-CB 3.41Å; E75-Q78 PolarHBondContact O-N 3.08Å; E75-E79 WeakPolarHBondContact O-CG 3.39Å; E75-E79 PolarHBondContact O-N 3.47Å |
| 76 | R | 98.5 | Very high | 98.3 | Very high | 170 Ų | 170 | 109.4 Ų | 109.4 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 177.3 | -134.9 | 177.5 | -176.6 | -177.4 | 0.9 | 113.2 | E72 M73 N74 Q78 E79 V80 | E72-R76 PolarHBondContact O-N 3Å; E72-R76 VanDerWaalsContact O-N 3.12Å; M73-R76 PolarHBondContact O-N 3.07Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 2.92Å; R76-Q78 VanDerWaalsContact C-N 3.31Å; R76-E79 PolarHBondContact O-N 2.76Å; R76-V80 WeakPolarHBondContact O-CG2 3.47Å; R76-V80 PolarHBondContact O-N 3.42Å; R76-V80 VanDerWaalsContact O-N 3.09Å |
| 77 | L | 98.7 | Very high | 98.4 | Very high | 110 Ų | 110 | 108.4 Ų | 108.4 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -35.2 | 175.2 | -76.1 | 171.3 | 0 | 0 | 0 | 112.1 | M73 N74 E75 R81 | M73-L77 HydrophobicContact CG-CD1 4.25Å; M73-L77 WeakPolarHBondContact O-CB 3.36Å; M73-L77 VanDerWaalsContact O-CG 3.31Å; M73-L77 WeakPolarHBondContact O-CG 3.39Å; M73-L77 PolarHBondContact O-N 3.43Å; N74-L77 WeakPolarHBondContact O-CB 3.42Å; N74-L77 PolarHBondContact O-N 2.85Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 3.5Å; L77-R81 VanDerWaalsContact O-CB 3.22Å; L77-R81 WeakPolarHBondContact O-CB 3.45Å; L77-R81 PolarHBondContact O-N 3.25Å |
| 78 | Q | 98.6 | Very high | 98.4 | Very high | 98 Ų | 98 | 111.7 Ų | 111.7 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 176.9 | -70 | -176.6 | 14.7 | 0 | 0 | 111.8 | N74 E75 R76 R81 G82 | N74-Q78 WeakPolarHBondContact O-CG 3.4Å; N74-Q78 PolarHBondContact O-N 2.88Å; N74-Q78 PolarHBondContact OD1-NE2 3.06Å; E75-Q78 WeakPolarHBondContact O-CB 3.41Å; E75-Q78 PolarHBondContact O-N 3.08Å; R76-Q78 VanDerWaalsContact C-N 3.31Å; Q78-R81 PolarHBondContact O-N 3Å; Q78-G82 PolarHBondContact O-N 2.93Å |
| 79 | E | 98.5 | Very high | 98.5 | Very high | 125 Ų | 125 | 109.9 Ų | 109.9 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.4 | -55.7 | 174 | -69.9 | 173.2 | 171.9 | 0 | 0 | 110.9 | E75 R76 R81 G82 E83 | E75-E79 WeakPolarHBondContact O-CG 3.39Å; E75-E79 PolarHBondContact O-N 3.47Å; R76-E79 PolarHBondContact O-N 2.76Å; E79-R81 VanDerWaalsContact C-N 3.26Å; E79-R81 PolarHBondContact O-N 2.87Å; E79-G82 WeakPolarHBondContact O-CA 3.33Å; E79-G82 PolarHBondContact O-N 3.12Å; E79-E83 PolarHBondContact O-N 3.14Å |
| 80 | V | 98.5 | Very high | 98.5 | Very high | 70 Ų | 70 | 107.9 Ų | 107.9 | 42% | 0.424 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -37 | 179.9 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | R76 G82 E83 L84 | R76-V80 WeakPolarHBondContact O-CG2 3.47Å; R76-V80 PolarHBondContact O-N 3.42Å; R76-V80 VanDerWaalsContact O-N 3.09Å; V80-G82 VanDerWaalsContact C-N 3.32Å; V80-G82 PolarHBondContact O-N 3.01Å; V80-E83 PolarHBondContact O-N 3.4Å; V80-L84 HydrophobicContact CG1-CD1 4.19Å; V80-L84 WeakPolarHBondContact O-CB 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.08Å |
| 81 | R | 98.6 | Very high | 98.5 | Very high | 154 Ų | 154 | 106.8 Ų | 106.8 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 174 | -175.5 | 179.8 | 66.5 | -159.8 | -0.5 | 111.7 | L77 Q78 E79 L84 V85 | L77-R81 VanDerWaalsContact O-CB 3.22Å; L77-R81 WeakPolarHBondContact O-CB 3.45Å; L77-R81 PolarHBondContact O-N 3.25Å; Q78-R81 PolarHBondContact O-N 3Å; E79-R81 VanDerWaalsContact C-N 3.26Å; E79-R81 PolarHBondContact O-N 2.87Å; R81-L84 PolarHBondContact O-N 3.02Å; R81-V85 VanDerWaalsContact O-CG2 3.32Å; R81-V85 WeakPolarHBondContact O-CG2 3.38Å; R81-V85 PolarHBondContact O-N 3.35Å; R81-V85 VanDerWaalsContact O-N 3.08Å |
| 82 | G | 98.5 | Very high | 98.5 | Very high | 40 Ų | 40 | 109 Ų | 109 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q78 E79 V80 L84 V85 Q86 | Q78-G82 PolarHBondContact O-N 2.93Å; E79-G82 WeakPolarHBondContact O-CA 3.33Å; E79-G82 PolarHBondContact O-N 3.12Å; V80-G82 VanDerWaalsContact C-N 3.32Å; V80-G82 PolarHBondContact O-N 3.01Å; G82-L84 VanDerWaalsContact C-N 3.34Å; G82-L84 PolarHBondContact O-N 3.49Å; G82-V85 PolarHBondContact O-N 2.9Å; G82-Q86 PolarHBondContact O-N 3.34Å |
| 83 | E | 98.6 | Very high | 98.5 | Very high | 116 Ų | 116 | 107.7 Ų | 107.7 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 176.2 | -67 | 178.3 | 175.7 | 0 | 0 | 111.9 | E79 V80 V85 Q86 Q87 | E79-E83 PolarHBondContact O-N 3.14Å; V80-E83 PolarHBondContact O-N 3.4Å; E83-V85 VanDerWaalsContact C-N 3.33Å; E83-V85 PolarHBondContact O-N 3.46Å; E83-Q86 WeakPolarHBondContact O-CB 3.46Å; E83-Q86 PolarHBondContact O-N 3.36Å; E83-Q87 WeakPolarHBondContact O-CG 3.12Å; E83-Q87 PolarHBondContact O-N 2.96Å |
| 84 | L | 98.6 | Very high | 98.4 | Very high | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 177.6 | -78.9 | 170.7 | 0 | 0 | 0 | 112.6 | V80 R81 G82 Q86 R88 | V80-L84 HydrophobicContact CG1-CD1 4.19Å; V80-L84 WeakPolarHBondContact O-CB 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.3Å; V80-L84 PolarHBondContact O-N 3.08Å; R81-L84 PolarHBondContact O-N 3.02Å; G82-L84 VanDerWaalsContact C-N 3.34Å; G82-L84 PolarHBondContact O-N 3.49Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; L84-R88 WeakPolarHBondContact O-CB 3.31Å; L84-R88 PolarHBondContact O-N 3.45Å |
| 85 | V | 98.6 | Very high | 98.4 | Very high | 69 Ų | 69 | 107.3 Ų | 107.3 | 42% | 0.418 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 176.2 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | R81 G82 E83 R88 E89 | R81-V85 VanDerWaalsContact O-CG2 3.32Å; R81-V85 WeakPolarHBondContact O-CG2 3.38Å; R81-V85 PolarHBondContact O-N 3.35Å; R81-V85 VanDerWaalsContact O-N 3.08Å; G82-V85 PolarHBondContact O-N 2.9Å; E83-V85 VanDerWaalsContact C-N 3.33Å; E83-V85 PolarHBondContact O-N 3.46Å; V85-R88 PolarHBondContact O-N 3.07Å; V85-E89 PolarHBondContact O-N 3.14Å; V85-E89 VanDerWaalsContact O-N 3.12Å |
| 86 | Q | 98.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 106.1 Ų | 106.1 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -50 | 176.7 | -175.3 | -176.1 | -30.7 | 0 | 0 | 111.4 | G82 E83 L84 R88 E89 E90 | G82-Q86 PolarHBondContact O-N 3.34Å; E83-Q86 WeakPolarHBondContact O-CB 3.46Å; E83-Q86 PolarHBondContact O-N 3.36Å; L84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 3.4Å; Q86-E89 WeakPolarHBondContact O-CB 3.39Å; Q86-E89 PolarHBondContact O-N 2.87Å; Q86-E90 PolarHBondContact NE2-OE1 3.01Å; Q86-E90 WeakPolarHBondContact O-CG 3.42Å; Q86-E90 PolarHBondContact O-N 3.49Å |
| 87 | Q | 98.4 | Very high | 98.3 | Very high | 109 Ų | 109 | 103.7 Ų | 103.7 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.7 | -39.6 | 178.4 | -73.1 | 179 | -9.7 | 0 | 0 | 112.2 | E83 E89 E90 L91 | E83-Q87 WeakPolarHBondContact O-CG 3.12Å; E83-Q87 PolarHBondContact O-N 2.96Å; Q87-E89 VanDerWaalsContact C-N 3.32Å; Q87-E89 PolarHBondContact O-N 3.22Å; Q87-E90 PolarHBondContact O-N 2.95Å; Q87-L91 WeakPolarHBondContact O-CG 3.34Å; Q87-L91 PolarHBondContact O-N 3.49Å |
| 88 | R | 98.4 | Very high | 98.3 | Very high | 135 Ų | 135 | 103.8 Ų | 103.8 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 175.5 | -176.5 | -162.1 | 68 | -163.9 | -2 | 111.6 | L84 V85 Q86 L91 W92 | L84-R88 WeakPolarHBondContact O-CB 3.31Å; L84-R88 PolarHBondContact O-N 3.45Å; V85-R88 PolarHBondContact O-N 3.07Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 3.4Å; R88-L91 PolarHBondContact O-N 3.23Å; R88-W92 PolarHBondContact O-N 2.81Å |
| 89 | E | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 104.4 Ų | 104.4 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 178.6 | -167.2 | 60.1 | -151.9 | 0 | 0 | 111.4 | V85 Q86 Q87 L91 W92 V93 | V85-E89 PolarHBondContact O-N 3.14Å; V85-E89 VanDerWaalsContact O-N 3.12Å; Q86-E89 WeakPolarHBondContact O-CB 3.39Å; Q86-E89 PolarHBondContact O-N 2.87Å; Q87-E89 VanDerWaalsContact C-N 3.32Å; Q87-E89 PolarHBondContact O-N 3.22Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.42Å; E89-W92 WeakPolarHBondContact O-CB 3.45Å; E89-W92 PolarHBondContact O-N 3.4Å; E89-V93 WeakPolarHBondContact O-CG2 3.46Å; E89-V93 PolarHBondContact O-N 2.86Å |
| 90 | E | 98.4 | Very high | 98.1 | Very high | 106 Ų | 106 | 103.1 Ų | 103.1 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57 | -42.8 | 174.8 | -70 | 171.8 | -171.5 | 0 | 0 | 111.6 | Q86 Q87 W92 V93 A94 | Q86-E90 PolarHBondContact NE2-OE1 3.01Å; Q86-E90 WeakPolarHBondContact O-CG 3.42Å; Q86-E90 PolarHBondContact O-N 3.49Å; Q87-E90 PolarHBondContact O-N 2.95Å; E90-W92 PolarHBondContact O-N 3.41Å; E90-V93 PolarHBondContact O-N 3.39Å; E90-A94 WeakPolarHBondContact O-CB 3.43Å; E90-A94 PolarHBondContact O-N 2.94Å |
| 91 | L | 98.4 | Very high | 98 | Very high | 127 Ų | 127 | 102.4 Ų | 102.4 | 67% | 0.665 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -36.9 | 174.9 | -73.9 | 174.5 | 0 | 0 | 0 | 112.8 | Q87 R88 E89 A94 K95 | Q87-L91 WeakPolarHBondContact O-CG 3.34Å; Q87-L91 PolarHBondContact O-N 3.49Å; R88-L91 PolarHBondContact O-N 3.23Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.42Å; L91-A94 PolarHBondContact O-N 3.37Å; L91-K95 VanDerWaalsContact O-CB 3.29Å; L91-K95 WeakPolarHBondContact O-CB 3.4Å; L91-K95 PolarHBondContact O-N 3.37Å |
| 92 | W | 98.1 | Very high | 97.9 | Very high | 142 Ų | 142 | 98 Ų | 98 | 54% | 0.538 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.5 | -99.2 | 108.5 | 0 | 0 | 0 | 112 | R88 E89 E90 K95 E96 | R88-W92 PolarHBondContact O-N 2.81Å; E89-W92 WeakPolarHBondContact O-CB 3.45Å; E89-W92 PolarHBondContact O-N 3.4Å; E90-W92 PolarHBondContact O-N 3.41Å; W92-K95 HydrophobicContact CE3-CD 4.16Å; W92-K95 HydrophobicContact CZ3-CD 4.12Å; W92-K95 WeakPolarHBondContact O-CB 3.38Å; W92-K95 PolarHBondContact O-N 3.47Å; W92-E96 PolarHBondContact O-N 2.91Å |
| 93 | V | 98.2 | Very high | 97.8 | Very high | 85 Ų | 85 | 99 Ų | 99 | 52% | 0.515 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 175.6 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | E89 E90 K95 E96 Q97 | E89-V93 WeakPolarHBondContact O-CG2 3.46Å; E89-V93 PolarHBondContact O-N 2.86Å; E90-V93 PolarHBondContact O-N 3.39Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 3.22Å; V93-E96 PolarHBondContact O-N 2.93Å; V93-Q97 PolarHBondContact O-N 2.95Å |
| 94 | A | 98 | Very high | 97.6 | Very high | 56 Ų | 56 | 98.9 Ų | 98.9 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E90 L91 Q97 L98 | E90-A94 WeakPolarHBondContact O-CB 3.43Å; E90-A94 PolarHBondContact O-N 2.94Å; L91-A94 PolarHBondContact O-N 3.37Å; A94-Q97 PolarHBondContact O-N 3.45Å; A94-L98 WeakPolarHBondContact O-CB 3.14Å; A94-L98 PolarHBondContact O-N 2.98Å |
| 95 | K | 98 | Very high | 97.4 | Very high | 93 Ų | 93 | 98.5 Ų | 98.5 | 40% | 0.404 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -49.8 | 174.4 | 176.9 | -168.6 | 164.7 | -168.9 | 0 | 111.4 | L91 W92 V93 Q97 L98 E99 | L91-K95 VanDerWaalsContact O-CB 3.29Å; L91-K95 WeakPolarHBondContact O-CB 3.4Å; L91-K95 PolarHBondContact O-N 3.37Å; W92-K95 HydrophobicContact CE3-CD 4.16Å; W92-K95 HydrophobicContact CZ3-CD 4.12Å; W92-K95 WeakPolarHBondContact O-CB 3.38Å; W92-K95 PolarHBondContact O-N 3.47Å; V93-K95 VanDerWaalsContact C-N 3.29Å; V93-K95 PolarHBondContact O-N 3.22Å; K95-Q97 VanDerWaalsContact C-N 3.3Å; K95-Q97 PolarHBondContact O-N 3.23Å; K95-L98 WeakPolarHBondContact O-CB 3.43Å; K95-L98 PolarHBondContact O-N 2.96Å; K95-E99 WeakPolarHBondContact CE-OE1 3.37Å; K95-E99 IonicContact NZ-OE1 2.72Å; K95-E99 WeakPolarHBondContact O-CG 3.28Å; K95-E99 PolarHBondContact O-N 3.28Å |
| 96 | E | 97.9 | Very high | 97.1 | Very high | 98 Ų | 98 | 101.9 Ų | 101.9 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | -179.4 | -168 | -168.1 | 161.5 | 0 | 0 | 111.2 | W92 V93 L98 E99 K100 | W92-E96 PolarHBondContact O-N 2.91Å; V93-E96 PolarHBondContact O-N 2.93Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.48Å; E96-E99 PolarHBondContact O-N 2.9Å; E96-K100 WeakPolarHBondContact O-CG 3.35Å; E96-K100 PolarHBondContact O-N 3.33Å; E96-K100 WeakPolarHBondContact OE1-CE 3.4Å; E96-K100 IonicContact OE1-NZ 3.89Å; E96-K100 PolarHBondContact OE1-NZ 3.02Å |
| 97 | Q | 97.5 | Very high | 96.6 | Very high | 118 Ų | 118 | 98.4 Ų | 98.4 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 176.8 | -173.4 | 59.4 | 23.7 | 0 | 0 | 111.9 | V93 A94 K95 K100 S101 | V93-Q97 PolarHBondContact O-N 2.95Å; A94-Q97 PolarHBondContact O-N 3.45Å; K95-Q97 VanDerWaalsContact C-N 3.3Å; K95-Q97 PolarHBondContact O-N 3.23Å; Q97-K100 PolarHBondContact O-N 2.96Å; Q97-S101 WeakPolarHBondContact O-CB 3.49Å; Q97-S101 PolarHBondContact O-N 3.29Å |
| 98 | L | 97.3 | Very high | 95.6 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 59% | 0.586 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 175.1 | -178.4 | 62.9 | 0 | 0 | 0 | 111.4 | A94 K95 E96 K100 S101 V102 | A94-L98 WeakPolarHBondContact O-CB 3.14Å; A94-L98 PolarHBondContact O-N 2.98Å; K95-L98 WeakPolarHBondContact O-CB 3.43Å; K95-L98 PolarHBondContact O-N 2.96Å; E96-L98 VanDerWaalsContact C-N 3.32Å; E96-L98 PolarHBondContact O-N 3.48Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.46Å; L98-S101 PolarHBondContact O-N 3.16Å; L98-V102 HydrophobicContact CD1-CG2 4.31Å; L98-V102 HydrophobicContact CG-CG2 4.46Å; L98-V102 WeakPolarHBondContact O-CB 3.2Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.32Å; L98-V102 PolarHBondContact O-N 3.35Å |
| 99 | E | 97.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 100.4 Ų | 100.4 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.3 | -43.3 | 177.1 | -74.8 | 176.8 | 172.7 | 0 | 0 | 111.7 | K95 E96 V102 A103 | K95-E99 WeakPolarHBondContact CE-OE1 3.37Å; K95-E99 IonicContact NZ-OE1 2.72Å; K95-E99 WeakPolarHBondContact O-CG 3.28Å; K95-E99 PolarHBondContact O-N 3.28Å; E96-E99 PolarHBondContact O-N 2.9Å; E99-V102 PolarHBondContact O-N 2.67Å; E99-A103 WeakPolarHBondContact O-CB 3.36Å; E99-A103 PolarHBondContact O-N 3.07Å |
| 100 | K | 96.6 | Very high | 92.2 | Very high | 99 Ų | 99 | 105.3 Ų | 105.3 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.1 | -48.8 | 173.9 | -71.2 | 171.5 | -174.5 | 164.1 | 0 | 111.8 | E96 Q97 L98 V102 A103 E104 | E96-K100 WeakPolarHBondContact O-CG 3.35Å; E96-K100 PolarHBondContact O-N 3.33Å; E96-K100 WeakPolarHBondContact OE1-CE 3.4Å; E96-K100 IonicContact OE1-NZ 3.89Å; E96-K100 PolarHBondContact OE1-NZ 3.02Å; Q97-K100 PolarHBondContact O-N 2.96Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.46Å; K100-V102 VanDerWaalsContact C-N 3.32Å; K100-V102 PolarHBondContact O-N 2.94Å; K100-A103 WeakPolarHBondContact O-CB 3.38Å; K100-A103 PolarHBondContact O-N 3.48Å; K100-A103 VanDerWaalsContact O-N 3.15Å; K100-E104 PolarHBondContact O-N 3.44Å |
| 101 | S | 96.6 | Very high | 91.9 | Very high | 55 Ų | 55 | 105.3 Ų | 105.3 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.7 | -42.4 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 112 | Q97 L98 E104 V105 | Q97-S101 WeakPolarHBondContact O-CB 3.49Å; Q97-S101 PolarHBondContact O-N 3.29Å; L98-S101 PolarHBondContact O-N 3.16Å; S101-E104 PolarHBondContact O-N 2.92Å; S101-V105 WeakPolarHBondContact O-CG2 3.42Å; S101-V105 PolarHBondContact O-N 3.42Å |
| 102 | V | 96.5 | Very high | 91.6 | Very high | 61 Ų | 61 | 104.2 Ų | 104.2 | 37% | 0.37 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -41.6 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | L98 E99 K100 V105 K106 | L98-V102 HydrophobicContact CD1-CG2 4.31Å; L98-V102 HydrophobicContact CG-CG2 4.46Å; L98-V102 WeakPolarHBondContact O-CB 3.2Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.32Å; L98-V102 PolarHBondContact O-N 3.35Å; E99-V102 PolarHBondContact O-N 2.67Å; K100-V102 VanDerWaalsContact C-N 3.32Å; K100-V102 PolarHBondContact O-N 2.94Å; V102-V105 PolarHBondContact O-N 2.97Å; V102-K106 HydrophobicContact CG1-CD 4.1Å; V102-K106 WeakPolarHBondContact O-CB 3.39Å; V102-K106 WeakPolarHBondContact O-CG 3.32Å; V102-K106 PolarHBondContact O-N 3.04Å |
| 103 | A | 95.2 | Very high | 91.2 | Very high | 62 Ų | 62 | 102.1 Ų | 102.1 | 51% | 0.512 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E99 K100 K106 G107 | E99-A103 WeakPolarHBondContact O-CB 3.36Å; E99-A103 PolarHBondContact O-N 3.07Å; K100-A103 WeakPolarHBondContact O-CB 3.38Å; K100-A103 PolarHBondContact O-N 3.48Å; K100-A103 VanDerWaalsContact O-N 3.15Å; A103-K106 PolarHBondContact O-N 2.94Å; A103-G107 PolarHBondContact O-N 2.84Å |
| 104 | E | 94.6 | Very high | 90.8 | Very high | 113 Ų | 113 | 103.1 Ų | 103.1 | 53% | 0.528 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.5 | -46.1 | 175.4 | -73.2 | -177.6 | -168.2 | 0 | 0 | 112.3 | K100 S101 K106 G107 R108 | K100-E104 PolarHBondContact O-N 3.44Å; S101-E104 PolarHBondContact O-N 2.92Å; E104-K106 VanDerWaalsContact C-N 3.34Å; E104-K106 PolarHBondContact O-N 2.85Å; E104-G107 PolarHBondContact O-N 2.78Å; E104-R108 WeakPolarHBondContact O-CG 3.36Å; E104-R108 PolarHBondContact O-N 2.63Å; E104-R108 IonicContact OE2-NH2 3.97Å |
| 105 | V | 94.1 | Very high | 90.3 | Very high | 95 Ų | 95 | 106 Ų | 106 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.8 | -43.1 | 178.4 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | S101 V102 R108 A109 | S101-V105 WeakPolarHBondContact O-CG2 3.42Å; S101-V105 PolarHBondContact O-N 3.42Å; V102-V105 PolarHBondContact O-N 2.97Å; V105-R108 PolarHBondContact O-N 3.26Å; V105-A109 WeakPolarHBondContact O-CB 3.32Å; V105-A109 PolarHBondContact O-N 2.88Å; V105-A109 VanDerWaalsContact O-N 3.13Å |
| 106 | K | 92.9 | Very high | 89.8 | Confident | 140 Ų | 140 | 106.9 Ų | 106.9 | 61% | 0.609 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.7 | -41.2 | 175.6 | -75 | 177.7 | 179.9 | 179.4 | 0 | 112.2 | V102 A103 E104 R108 A109 | V102-K106 HydrophobicContact CG1-CD 4.1Å; V102-K106 WeakPolarHBondContact O-CB 3.39Å; V102-K106 WeakPolarHBondContact O-CG 3.32Å; V102-K106 PolarHBondContact O-N 3.04Å; A103-K106 PolarHBondContact O-N 2.94Å; E104-K106 VanDerWaalsContact C-N 3.34Å; E104-K106 PolarHBondContact O-N 2.85Å; K106-R108 VanDerWaalsContact C-N 3.34Å; K106-A109 PolarHBondContact O-N 3.48Å |
| 107 | G | 87.4 | Confident | 89.3 | Confident | 47 Ų | 47 | 107.5 Ų | 107.5 | 49% | 0.485 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.9 | -30.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A103 E104 | A103-G107 PolarHBondContact O-N 2.84Å; E104-G107 PolarHBondContact O-N 2.78Å |
| 108 | R | 77.9 | Confident | 88.6 | Confident | 201 Ų | 201 | 106.7 Ų | 106.7 | 76% | 0.758 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -80.3 | -18.1 | 174.6 | -68.5 | 178.1 | -170.5 | -169.6 | 7.2 | 113.8 | E104 V105 K106 | E104-R108 WeakPolarHBondContact O-CG 3.36Å; E104-R108 PolarHBondContact O-N 2.63Å; E104-R108 IonicContact OE2-NH2 3.97Å; V105-R108 PolarHBondContact O-N 3.26Å; K106-R108 VanDerWaalsContact C-N 3.34Å |
| 109 | A | 70.9 | Confident | 87.9 | Confident | 84 Ų | 84 | 106.3 Ų | 106.3 | 69% | 0.694 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -1.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V105 K106 | V105-A109 WeakPolarHBondContact O-CB 3.32Å; V105-A109 PolarHBondContact O-N 2.88Å; V105-A109 VanDerWaalsContact O-N 3.13Å; K106-A109 PolarHBondContact O-N 3.48Å |
| 110 | L | 54.9 | Low | 87.1 | Confident | 207 Ų | 207 | 105.8 Ų | 105.8 | 100% | 1.084 | 59% | 0.585 | S | S | * | * | trans | -103.7 | 0 | 170.8 | -69 | 170.6 | 0 | 0 | 0 | 109.6 |
Retrieved 110 of 110 residues in 28.1 ms
(Link to these results)