| 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 | 38.1 | Very low | 44.7 | Very low | 227 Ų | 227 | 157.8 Ų | 157.8 | 100% | 1.118 | 84% | 0.835 | S | S | * | * | 0 | 102.6 | 0 | -82.1 | 146.2 | 112.6 | 0 | 0 | 107.4 | |||||
| 2 | N | 35.7 | Very low | 45.9 | Very low | 160 Ų | 160 | 157.8 Ų | 157.8 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | 80 | 132.2 | 100.5 | -68.7 | 7 | 0 | 0 | 0 | 111 | |||||
| 3 | A | 40.8 | Very low | 46.8 | Very low | 89 Ų | 89 | 155.5 Ų | 155.5 | 74% | 0.736 | 82% | 0.823 | S | S | * | * | cis | -158.2 | 136.6 | -5 | 0 | 0 | 0 | 0 | 0 | 106.6 | S5 | A3-S5 PolarHBondContact O-N 3.22Š| ||
| 4 | R | 44.1 | Very low | 48.2 | Very low | 249 Ų | 249 | 152.6 Ų | 152.6 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | trans | -80.2 | 104.8 | 168.6 | -76.3 | 177.5 | 160.3 | 175.4 | -5.9 | 107.8 | S6 | R4-S6 PolarHBondContact O-N 3.39Š| ||
| 5 | S | 43 | Very low | 49.2 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -86 | 81.2 | 170.8 | 47.9 | 0 | 0 | 0 | 0 | 110 | A3 L7 | A3-S5 PolarHBondContact O-N 3.22Å; S5-L7 PolarHBondContact O-N 3.16Å; S5-L7 VanDerWaalsContact O-N 3.16Å | ||
| 6 | S | 47.7 | Very low | 50.6 | Low | 100 Ų | 100 | 147.6 Ų | 147.6 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -73.5 | 98 | 163.3 | 55.6 | 0 | 0 | 0 | 0 | 108.9 | R4 R8 | R4-S6 PolarHBondContact O-N 3.39Å; S6-R8 VanDerWaalsContact C-N 3.31Å; S6-R8 PolarHBondContact O-N 3.03Å | ||
| 7 | L | 47.6 | Very low | 51.7 | Low | 168 Ų | 168 | 151.7 Ų | 151.7 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | -69 | 90.9 | 166.7 | -80 | 161.3 | 0 | 0 | 0 | 108.5 | S5 Q9 | S5-L7 PolarHBondContact O-N 3.16Å; S5-L7 VanDerWaalsContact O-N 3.16Å; L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 2.96Å | ||
| 8 | R | 42.7 | Very low | 52.8 | Low | 236 Ų | 236 | 154.6 Ų | 154.6 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -67 | 98.2 | 161.9 | -79.8 | -173.4 | 171.7 | -171.4 | -1.8 | 107.2 | S6 G10 | S6-R8 VanDerWaalsContact C-N 3.31Å; S6-R8 PolarHBondContact O-N 3.03Å; R8-G10 VanDerWaalsContact C-N 3.25Å; R8-G10 PolarHBondContact O-N 2.85Å | ||
| 9 | Q | 47.6 | Very low | 54.1 | Low | 182 Ų | 182 | 151.9 Ų | 151.9 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -64.6 | 93.5 | 165.7 | -140.9 | 165.7 | -3.9 | 0 | 0 | 106.6 | L7 I11 | L7-Q9 VanDerWaalsContact C-N 3.34Å; L7-Q9 PolarHBondContact O-N 2.96Å; Q9-I11 PolarHBondContact O-N 2.89Å | ||
| 10 | G | 50.9 | Low | 55 | Low | 67 Ų | 67 | 154.4 Ų | 154.4 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | -65 | 87.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R8 L12 | R8-G10 VanDerWaalsContact C-N 3.25Å; R8-G10 PolarHBondContact O-N 2.85Å; G10-L12 VanDerWaalsContact C-N 3.31Å; G10-L12 PolarHBondContact O-N 2.81Å | ||
| 11 | I | 54 | Low | 55.7 | Low | 147 Ų | 147 | 154.6 Ų | 154.6 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -63.5 | 100.3 | 164.8 | -62.8 | 177.2 | 0 | 0 | 0 | 105.3 | Q9 N13 | Q9-I11 PolarHBondContact O-N 2.89Å; I11-N13 PolarHBondContact O-N 2.96Å | ||
| 12 | L | 58.6 | Low | 57.3 | Low | 158 Ų | 158 | 147.5 Ų | 147.5 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -65.1 | 86.5 | 165.5 | -69.6 | 171.3 | 0 | 0 | 0 | 106.9 | G10 T14 | G10-L12 VanDerWaalsContact C-N 3.31Å; G10-L12 PolarHBondContact O-N 2.81Å; L12-T14 PolarHBondContact O-N 2.76Å | ||
| 13 | N | 57.7 | Low | 58.8 | Low | 127 Ų | 127 | 147.6 Ų | 147.6 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -72.9 | 79.6 | 168.5 | -173.6 | 14.2 | 0 | 0 | 0 | 107.1 | I11 K15 | I11-N13 PolarHBondContact O-N 2.96Å; N13-K15 PolarHBondContact O-N 2.93Å | ||
| 14 | T | 65.9 | Low | 60 | Low | 115 Ų | 115 | 149.3 Ų | 149.3 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -69.9 | 75.1 | 168.8 | -44.5 | 0 | 0 | 0 | 0 | 107.3 | L12 V16 | L12-T14 PolarHBondContact O-N 2.76Å; T14-V16 HydrophobicContact CG2-CG2 4.14Å; T14-V16 PolarHBondContact O-N 2.88Å | ||
| 15 | K | 63.9 | Low | 61.1 | Low | 145 Ų | 145 | 145.1 Ų | 145.1 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | trans | -76 | 77.7 | 178.1 | -169.3 | -177.8 | -177.2 | -175.3 | 0 | 107.6 | N13 R17 | N13-K15 PolarHBondContact O-N 2.93Å; K15-R17 PolarHBondContact O-N 2.99Å | ||
| 16 | V | 72.3 | Confident | 62.2 | Low | 81 Ų | 81 | 145.5 Ų | 145.5 | 49% | 0.491 | 75% | 0.754 | S | S | . | * | trans | -58.9 | 109.6 | 169.8 | -178.2 | 0 | 0 | 0 | 0 | 106.6 | T14 Y18 | T14-V16 HydrophobicContact CG2-CG2 4.14Å; T14-V16 PolarHBondContact O-N 2.88Å; V16-Y18 HydrophobicContact CB-CD2 4.44Å; V16-Y18 HydrophobicContact CB-CE2 3.82Å; V16-Y18 HydrophobicContact CG1-CD1 4.46Å; V16-Y18 HydrophobicContact CG1-CD2 4.3Å; V16-Y18 HydrophobicContact CG1-CE1 3.99Å; V16-Y18 HydrophobicContact CG1-CE2 3.81Å; V16-Y18 VanDerWaalsContact O-CD2 3.25Å; V16-Y18 WeakPolarHBondContact O-CD2 3.25Å; V16-Y18 PolarHBondContact O-N 3.26Å | ||
| 17 | R | 68.4 | Low | 63.4 | Low | 217 Ų | 217 | 143.9 Ų | 143.9 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | trans | -73.6 | 92.4 | 177.7 | -77.2 | -103 | -158.8 | 169.3 | 7.2 | 107.5 | K15 S19 | K15-R17 PolarHBondContact O-N 2.99Å; R17-S19 PolarHBondContact O-N 3.03Å | ||
| 18 | Y | 71 | Confident | 64.3 | Low | 203 Ų | 203 | 142.6 Ų | 142.6 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -72.1 | 110.7 | 165.4 | -60.9 | -81.3 | 0 | 0 | 0 | 108.1 | V16 | V16-Y18 HydrophobicContact CB-CD2 4.44Å; V16-Y18 HydrophobicContact CB-CE2 3.82Å; V16-Y18 HydrophobicContact CG1-CD1 4.46Å; V16-Y18 HydrophobicContact CG1-CD2 4.3Å; V16-Y18 HydrophobicContact CG1-CE1 3.99Å; V16-Y18 HydrophobicContact CG1-CE2 3.81Å; V16-Y18 VanDerWaalsContact O-CD2 3.25Å; V16-Y18 WeakPolarHBondContact O-CD2 3.25Å; V16-Y18 PolarHBondContact O-N 3.26Å | ||
| 19 | S | 77.4 | Confident | 65.9 | Low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 132.5 | 164.5 | 50.7 | 0 | 0 | 0 | 0 | 108.3 | R17 L21 | R17-S19 PolarHBondContact O-N 3.03Å; S19-L21 PolarHBondContact O-N 3.32Å |
| 20 | K | 72.1 | Confident | 67.1 | Low | 200 Ų | 200 | 134.6 Ų | 134.6 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.4 | 171.1 | -153.3 | -178.7 | -176.7 | -171.6 | 0 | 107.3 | ||
| 21 | L | 70.7 | Confident | 68 | Low | 159 Ų | 159 | 137.2 Ų | 137.2 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 142.5 | 175.5 | -70.2 | 165.1 | 0 | 0 | 0 | 108.8 | S19 N23 | S19-L21 PolarHBondContact O-N 3.32Å; L21-N23 PolarHBondContact O-N 3.36Å |
| 22 | A | 70.4 | Confident | 68.9 | Low | 78 Ų | 78 | 134.8 Ų | 134.8 | 65% | 0.645 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 134 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | D24 | A22-D24 PolarHBondContact O-N 2.82Š|
| 23 | N | 67.4 | Low | 69.6 | Low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 69% | 0.692 | S | S | * | * | trans | -80.8 | 39.5 | -179.9 | -135.4 | 21.4 | 0 | 0 | 0 | 109.6 | L21 D25 | L21-N23 PolarHBondContact O-N 3.36Å; N23-D25 PolarHBondContact O-N 2.95Å | ||
| 24 | D | 67.3 | Low | 70.2 | Confident | 124 Ų | 124 | 136.1 Ų | 136.1 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | trans | -73.7 | 121.8 | 174.2 | -76.2 | -22.7 | 0 | 0 | 0 | 106.1 | A22 D26 | A22-D24 PolarHBondContact O-N 2.82Å; D24-D26 VanDerWaalsContact C-N 3.28Å; D24-D26 PolarHBondContact O-N 3.42Å | ||
| 25 | D | 66.3 | Low | 70.2 | Confident | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 70% | 0.695 | S | S | * | * | trans | -59.7 | 95 | 175.2 | -153.1 | 12 | 0 | 0 | 0 | 106.6 | N23 G27 | N23-D25 PolarHBondContact O-N 2.95Å; D25-G27 PolarHBondContact O-N 3.12Å | ||
| 26 | D | 67.3 | Low | 70.1 | Confident | 119 Ų | 119 | 136.9 Ų | 136.9 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | -72.5 | 14.6 | -160.7 | 35.7 | -47.1 | 0 | 0 | 0 | 112.7 | D24 Y28 | D24-D26 VanDerWaalsContact C-N 3.28Å; D24-D26 PolarHBondContact O-N 3.42Å; D26-Y28 HydrophobicContact CB-CD2 3.69Å; D26-Y28 HydrophobicContact CB-CE2 4.15Å; D26-Y28 WeakPolarHBondContact O-CD2 3.46Å; D26-Y28 WeakPolarHBondContact O-CE2 3.29Å; D26-Y28 PolarHBondContact O-N 2.79Å; D26-Y28 VanDerWaalsContact O-N 3.12Å; D26-Y28 VanDerWaalsContact OD2-CD2 3.29Å; D26-Y28 WeakPolarHBondContact OD2-CD2 3.05Å | ||
| 27 | G | 71.3 | Confident | 69.8 | Low | 65 Ų | 65 | 138.6 Ų | 138.6 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 68.2 | 4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | D25 I29 | D25-G27 PolarHBondContact O-N 3.12Å; G27-I29 PolarHBondContact O-N 3.01Å |
| 28 | Y | 67.8 | Low | 69.7 | Low | 142 Ų | 142 | 132.3 Ų | 132.3 | 56% | 0.557 | 70% | 0.7 | S | S | * | * | trans | -77.8 | 108.9 | -178.8 | -76 | -94.4 | 0 | 0 | 0 | 109.9 | D26 Q32 F33 | D26-Y28 HydrophobicContact CB-CD2 3.69Å; D26-Y28 HydrophobicContact CB-CE2 4.15Å; D26-Y28 WeakPolarHBondContact O-CD2 3.46Å; D26-Y28 WeakPolarHBondContact O-CE2 3.29Å; D26-Y28 PolarHBondContact O-N 2.79Å; D26-Y28 VanDerWaalsContact O-N 3.12Å; D26-Y28 VanDerWaalsContact OD2-CD2 3.29Å; D26-Y28 WeakPolarHBondContact OD2-CD2 3.05Å; Y28-Q32 VanDerWaalsContact CB-NE2 3.27Å; Y28-Q32 VanDerWaalsContact CD1-CD 3.41Å; Y28-F33 HydrophobicContact CD1-CE2 4.29Å; Y28-F33 AromaticContact CD1-CZ 3.95Å; Y28-F33 HydrophobicContact CD1-CZ 3.95Å | ||
| 29 | I | 75.3 | Confident | 69.8 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 56% | 0.559 | 69% | 0.691 | S | S | * | * | trans | -84 | 135.5 | 169.1 | 60.4 | 177.2 | 0 | 0 | 0 | 109.9 | G27 L31 Q32 | G27-I29 PolarHBondContact O-N 3.01Å; I29-L31 HydrophobicContact CD1-CB 4.05Å; I29-L31 HydrophobicContact CG1-CB 4.21Å; I29-L31 PolarHBondContact O-N 3.24Å; I29-Q32 HydrophobicContact CG1-CB 4.32Å; I29-Q32 VanDerWaalsContact O-CG 3.25Å; I29-Q32 WeakPolarHBondContact O-CG 3.25Å; I29-Q32 PolarHBondContact O-N 3.25Å; I29-Q32 PolarHBondContact O-NE2 2.95Å | ||
| 30 | D | 72.7 | Confident | 69.7 | Low | 140 Ų | 140 | 126.1 Ų | 126.1 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -54.6 | -25.9 | 175.6 | -72.9 | -18.2 | 0 | 0 | 0 | 112.8 | Q32 F33 | D30-Q32 PolarHBondContact O-N 3.27Å; D30-F33 PolarHBondContact O-N 3Å |
| 31 | L | 70.9 | Confident | 70.2 | Confident | 122 Ų | 122 | 117 Ų | 117 | 64% | 0.639 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -61.3 | -26.4 | 177.2 | -92.1 | 73.1 | 0 | 0 | 0 | 113.4 | I29 F33 K34 | I29-L31 HydrophobicContact CD1-CB 4.05Å; I29-L31 HydrophobicContact CG1-CB 4.21Å; I29-L31 PolarHBondContact O-N 3.24Å; L31-F33 PolarHBondContact O-N 3.28Å; L31-K34 WeakPolarHBondContact O-CB 3.47Å; L31-K34 PolarHBondContact O-N 3.44Å |
| 32 | Q | 71.8 | Confident | 70.7 | Confident | 96 Ų | 96 | 117.7 Ų | 117.7 | 45% | 0.449 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -71.9 | -21.3 | -179.1 | 82.5 | -166.1 | -79.2 | 0 | 0 | 112.9 | Y28 I29 D30 | Y28-Q32 VanDerWaalsContact CB-NE2 3.27Å; Y28-Q32 VanDerWaalsContact CD1-CD 3.41Å; I29-Q32 HydrophobicContact CG1-CB 4.32Å; I29-Q32 VanDerWaalsContact O-CG 3.25Å; I29-Q32 WeakPolarHBondContact O-CG 3.25Å; I29-Q32 PolarHBondContact O-N 3.25Å; I29-Q32 PolarHBondContact O-NE2 2.95Å; D30-Q32 PolarHBondContact O-N 3.27Å |
| 33 | F | 74.6 | Confident | 71.4 | Confident | 152 Ų | 152 | 119.6 Ų | 119.6 | 67% | 0.667 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -92.5 | -5.9 | 177.2 | -58.3 | -69.2 | 0 | 0 | 0 | 112.2 | Y28 D30 L31 K35 | Y28-F33 HydrophobicContact CD1-CE2 4.29Å; Y28-F33 AromaticContact CD1-CZ 3.95Å; Y28-F33 HydrophobicContact CD1-CZ 3.95Å; D30-F33 PolarHBondContact O-N 3Å; L31-F33 PolarHBondContact O-N 3.28Å; F33-K35 PolarHBondContact O-N 3.22Å |
| 34 | K | 69.9 | Low | 72.3 | Confident | 161 Ų | 161 | 112 Ų | 112 | 70% | 0.7 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -74.9 | 108.9 | 170.5 | -88.6 | -176.4 | 160.1 | 180 | 0 | 109 | L31 S36 | L31-K34 WeakPolarHBondContact O-CB 3.47Å; L31-K34 PolarHBondContact O-N 3.44Å; K34-S36 PolarHBondContact O-N 3.23Å |
| 35 | K | 65.4 | Low | 73.3 | Confident | 172 Ų | 172 | 107.9 Ų | 107.9 | 75% | 0.748 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -52 | 131 | 162.9 | -104.9 | -169.5 | 174 | -166.4 | 0 | 108.6 | F33 D112 | F33-K35 PolarHBondContact O-N 3.22Å; K35-D112 IonicContact NZ-OD2 2.65Å; K35-D112 PolarHBondContact NZ-OD2 3.28Å; K35-D112 VanDerWaalsContact NZ-OD2 3.12Å |
| 36 | S | 62.5 | Low | 74.4 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 73% | 0.727 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 146.6 | 168.2 | -65.2 | 0 | 0 | 0 | 0 | 110 | K34 | K34-S36 PolarHBondContact O-N 3.23Š|
| 37 | P | 66 | Low | 75.5 | Confident | 118 Ų | 118 | 100.5 Ų | 100.5 | 77% | 0.766 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 130.8 | 178.4 | 19.7 | -29.8 | 0 | 0 | 0 | 109.5 | K39 | P37-K39 PolarHBondContact O-N 3.32Å; P37-K39 VanDerWaalsContact O-N 3.11Å |
| 38 | P | 66.6 | Low | 76.5 | Confident | 84 Ų | 84 | 97.6 Ų | 97.6 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 119.6 | -175.7 | 23.2 | -31.9 | 0 | 0 | 0 | 109.2 | V40 | P38-V40 PolarHBondContact O-N 3.22Š|
| 39 | K | 72.1 | Confident | 77.7 | Confident | 144 Ų | 144 | 93.1 Ų | 93.1 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 124.1 | 174.1 | -176.7 | -176.6 | 169.3 | -157.7 | 0 | 107.4 | P37 P41 D118 | P37-K39 PolarHBondContact O-N 3.32Å; P37-K39 VanDerWaalsContact O-N 3.11Å; K39-P41 VanDerWaalsContact O-CD 3.32Å; K39-P41 WeakPolarHBondContact O-CD 3.1Å; K39-D118 IonicContact NZ-OD2 3.12Å; K39-D118 PolarHBondContact NZ-OD2 3.36Å |
| 40 | V | 75.9 | Confident | 78.6 | Confident | 34 Ų | 34 | 91.6 Ų | 91.6 | 21% | 0.206 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 121.2 | 176.7 | -179 | 0 | 0 | 0 | 0 | 108.5 | P38 Y42 I45 Y111 | P38-V40 PolarHBondContact O-N 3.22Å; V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 HydrophobicContact CB-CD2 4.24Å; V40-Y42 HydrophobicContact CB-CE1 4.33Å; V40-Y42 HydrophobicContact CB-CE2 3.75Å; V40-Y42 HydrophobicContact CG1-CD1 4.13Å; V40-Y42 HydrophobicContact CG1-CD2 4.37Å; V40-Y42 HydrophobicContact CG1-CE1 3.88Å; V40-Y42 HydrophobicContact CG1-CE2 4.14Å; V40-Y42 HydrophobicContact CG1-CG 4.37Å; V40-Y42 WeakPolarHBondContact O-CD2 3.18Å; V40-Y42 PolarHBondContact O-N 3.48Å; V40-I45 HydrophobicContact CG1-CD1 3.79Å; V40-Y111 HydrophobicContact CG1-CD1 4.41Å; V40-Y111 HydrophobicContact CG1-CE1 4Å; V40-Y111 HydrophobicContact CG2-CD2 4.29Å; V40-Y111 HydrophobicContact CG2-CE2 3.9Å |
| 41 | P | 83.3 | Confident | 79.6 | Confident | 8 Ų | 8 | 87.5 Ų | 87.5 | 5% | 0.052 | 45% | 0.45 | C | S | . | . | trans | -80.5 | 74.7 | -177.5 | 32.3 | -35.2 | 0 | 0 | 0 | 110.2 | K39 K43 A44 I45 Y111 I114 | K39-P41 VanDerWaalsContact O-CD 3.32Å; K39-P41 WeakPolarHBondContact O-CD 3.1Å; P41-K43 VanDerWaalsContact C-N 3.29Å; P41-K43 PolarHBondContact O-N 3.03Å; P41-A44 HydrophobicContact CB-CB 4.09Å; P41-A44 PolarHBondContact O-N 3.13Å; P41-I45 WeakPolarHBondContact O-CG1 3.14Å; P41-I45 PolarHBondContact O-N 2.86Å; P41-I45 VanDerWaalsContact O-N 3.13Å; P41-Y111 HydrophobicContact CG-CD1 4.26Å; P41-I114 HydrophobicContact CG-CB 4.05Å; P41-I114 HydrophobicContact CG-CD1 4.16Å; P41-I114 HydrophobicContact CG-CG2 4.19Å | ||
| 42 | Y | 81.2 | Confident | 80.8 | Confident | 174 Ų | 174 | 84.1 Ų | 84.1 | 68% | 0.682 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -57.4 | -37.9 | -174.7 | -68.7 | -77.5 | 0 | 0 | 0 | 113.5 | V40 I45 A46 | V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 HydrophobicContact CB-CD2 4.24Å; V40-Y42 HydrophobicContact CB-CE1 4.33Å; V40-Y42 HydrophobicContact CB-CE2 3.75Å; V40-Y42 HydrophobicContact CG1-CD1 4.13Å; V40-Y42 HydrophobicContact CG1-CD2 4.37Å; V40-Y42 HydrophobicContact CG1-CE1 3.88Å; V40-Y42 HydrophobicContact CG1-CE2 4.14Å; V40-Y42 HydrophobicContact CG1-CG 4.37Å; V40-Y42 WeakPolarHBondContact O-CD2 3.18Å; V40-Y42 PolarHBondContact O-N 3.48Å; Y42-I45 PolarHBondContact O-N 3.13Å; Y42-A46 WeakPolarHBondContact O-CB 3.45Å; Y42-A46 PolarHBondContact O-N 3.08Å |
| 43 | K | 84.6 | Confident | 82 | Confident | 119 Ų | 119 | 84.5 Ų | 84.5 | 52% | 0.517 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 178.5 | -64.9 | -169.3 | -170.2 | 158.1 | 0 | 111.9 | P41 A46 L47 D118 | P41-K43 VanDerWaalsContact C-N 3.29Å; P41-K43 PolarHBondContact O-N 3.03Å; K43-A46 PolarHBondContact O-N 3.21Å; K43-L47 PolarHBondContact O-N 2.95Å; K43-D118 WeakPolarHBondContact CD-OD1 3.3Å; K43-D118 WeakPolarHBondContact CE-OD1 3.21Å; K43-D118 IonicContact NZ-OD1 2.65Å; K43-D118 PolarHBondContact NZ-OD1 3.45Å |
| 44 | A | 86.5 | Confident | 83.1 | Confident | 3 Ų | 3 | 81.1 Ų | 81.1 | 3% | 0.025 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | P41 A46 L47 A48 I114 P115 F117 | P41-A44 HydrophobicContact CB-CB 4.09Å; P41-A44 PolarHBondContact O-N 3.13Å; A44-A46 VanDerWaalsContact C-N 3.35Å; A44-L47 PolarHBondContact O-N 3.28Å; A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.12Å; A44-I114 HydrophobicContact CB-CG2 3.38Å; A44-P115 WeakPolarHBondContact CB-O 3.17Å; A44-F117 HydrophobicContact CB-CD2 3.71Å; A44-F117 HydrophobicContact CB-CE2 3.96Å |
| 45 | I | 87.3 | Confident | 84.3 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 20% | 0.195 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175 | -61.8 | 170.3 | 0 | 0 | 0 | 110.4 | V40 P41 Y42 A48 T49 A99 Y111 I114 | V40-I45 HydrophobicContact CG1-CD1 3.79Å; P41-I45 WeakPolarHBondContact O-CG1 3.14Å; P41-I45 PolarHBondContact O-N 2.86Å; P41-I45 VanDerWaalsContact O-N 3.13Å; Y42-I45 PolarHBondContact O-N 3.13Å; I45-A48 PolarHBondContact O-N 3.42Å; I45-T49 WeakPolarHBondContact O-CB 3.49Å; I45-T49 PolarHBondContact O-N 2.71Å; I45-T49 PolarHBondContact O-OG1 3.24Å; I45-A99 HydrophobicContact CD1-CB 4.19Å; I45-A99 HydrophobicContact CG1-CB 3.89Å; I45-Y111 HydrophobicContact CD1-CD1 4.46Å; I45-Y111 HydrophobicContact CD1-CE1 4.01Å; I45-I114 HydrophobicContact CG1-CD1 4.36Å |
| 46 | A | 89.8 | Confident | 85.8 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 44% | 0.438 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y42 K43 A44 T49 V50 | Y42-A46 WeakPolarHBondContact O-CB 3.45Å; Y42-A46 PolarHBondContact O-N 3.08Å; K43-A46 PolarHBondContact O-N 3.21Å; A44-A46 VanDerWaalsContact C-N 3.35Å; A46-T49 WeakPolarHBondContact O-CB 3.49Å; A46-T49 PolarHBondContact O-N 3.16Å; A46-V50 WeakPolarHBondContact O-CG2 3.34Å; A46-V50 PolarHBondContact O-N 3.01Å |
| 47 | L | 91 | Very high | 87.4 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 38% | 0.382 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57.9 | -52.9 | 175.8 | -171.2 | 171.4 | 0 | 0 | 0 | 111.1 | K43 A44 T49 V50 L51 F117 | K43-L47 PolarHBondContact O-N 2.95Å; A44-L47 PolarHBondContact O-N 3.28Å; L47-T49 PolarHBondContact O-N 3.36Å; L47-V50 PolarHBondContact O-N 2.7Å; L47-V50 VanDerWaalsContact O-N 3.08Å; L47-L51 HydrophobicContact CD2-CD1 4.08Å; L47-L51 HydrophobicContact CD2-CD2 4.12Å; L47-L51 PolarHBondContact O-N 3.31Å; L47-F117 HydrophobicContact CD1-CD2 4.29Å; L47-F117 HydrophobicContact CD1-CE1 4.25Å; L47-F117 HydrophobicContact CD1-CE2 3.95Å; L47-F117 HydrophobicContact CD1-CZ 3.93Å |
| 48 | A | 91.8 | Very high | 88.8 | Confident | 4 Ų | 4 | 63.2 Ų | 63.2 | 3% | 0.033 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.6 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | A44 I45 F52 H95 | A44-A48 WeakPolarHBondContact O-CB 3.49Å; A44-A48 PolarHBondContact O-N 3.12Å; I45-A48 PolarHBondContact O-N 3.42Å; A48-F52 VanDerWaalsContact O-CB 3.26Å; A48-F52 WeakPolarHBondContact O-CB 3.41Å; A48-F52 PolarHBondContact O-N 2.89Å; A48-H95 HydrophobicContact CB-CB 3.75Å |
| 49 | T | 92.5 | Very high | 90.1 | Very high | 47 Ų | 47 | 61.3 Ų | 61.3 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.8 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | I45 A46 L47 F52 L53 | I45-T49 WeakPolarHBondContact O-CB 3.49Å; I45-T49 PolarHBondContact O-N 2.71Å; I45-T49 PolarHBondContact O-OG1 3.24Å; A46-T49 WeakPolarHBondContact O-CB 3.49Å; A46-T49 PolarHBondContact O-N 3.16Å; L47-T49 PolarHBondContact O-N 3.36Å; T49-F52 PolarHBondContact O-N 3.45Å; T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 HydrophobicContact CG2-CG 4.44Å; T49-L53 VanDerWaalsContact O-CG 3.26Å; T49-L53 WeakPolarHBondContact O-CG 3.14Å; T49-L53 PolarHBondContact O-N 2.84Å |
| 50 | V | 94.7 | Very high | 91.2 | Very high | 77 Ų | 77 | 58.1 Ų | 58.1 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 177.1 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | A46 L47 F52 L53 I54 | A46-V50 WeakPolarHBondContact O-CG2 3.34Å; A46-V50 PolarHBondContact O-N 3.01Å; L47-V50 PolarHBondContact O-N 2.7Å; L47-V50 VanDerWaalsContact O-N 3.08Å; V50-F52 VanDerWaalsContact C-N 3.33Å; V50-F52 PolarHBondContact O-N 3.45Å; V50-L53 PolarHBondContact O-N 3.11Å; V50-I54 HydrophobicContact CG1-CD1 3.61Å; V50-I54 HydrophobicContact CG1-CG1 4.36Å; V50-I54 WeakPolarHBondContact O-CB 3.37Å; V50-I54 WeakPolarHBondContact O-CG1 3.18Å; V50-I54 PolarHBondContact O-N 3.2Å |
| 51 | L | 94.3 | Very high | 92 | Very high | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.288 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59 | -44.3 | 176.9 | -119.7 | 65.3 | 0 | 0 | 0 | 111.6 | L47 G55 V88 P91 | L47-L51 HydrophobicContact CD2-CD1 4.08Å; L47-L51 HydrophobicContact CD2-CD2 4.12Å; L47-L51 PolarHBondContact O-N 3.31Å; L51-G55 PolarHBondContact O-N 3.5Å; L51-V88 HydrophobicContact CG-CG1 4.06Å; L51-P91 HydrophobicContact CD2-CB 4.33Å; L51-P91 HydrophobicContact CD2-CG 4.01Å |
| 52 | F | 95.2 | Very high | 92.3 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 176.9 | 173 | -99.8 | 0 | 0 | 0 | 112.2 | A48 T49 V50 S56 F89 F93 L96 | A48-F52 VanDerWaalsContact O-CB 3.26Å; A48-F52 WeakPolarHBondContact O-CB 3.41Å; A48-F52 PolarHBondContact O-N 2.89Å; T49-F52 PolarHBondContact O-N 3.45Å; V50-F52 VanDerWaalsContact C-N 3.33Å; V50-F52 PolarHBondContact O-N 3.45Å; F52-S56 VanDerWaalsContact O-CB 3.25Å; F52-S56 WeakPolarHBondContact O-CB 3.44Å; F52-S56 PolarHBondContact O-N 3.33Å; F52-S56 PolarHBondContact O-OG 3.13Å; F52-F89 AromaticContact CD2-CD2 3.92Å; F52-F89 HydrophobicContact CD2-CD2 3.92Å; F52-F89 AromaticContact CD2-CE2 3.49Å; F52-F89 HydrophobicContact CD2-CE2 3.49Å; F52-F89 VanDerWaalsContact CD2-CE2 3.49Å; F52-F89 HydrophobicContact CD2-CZ 4.13Å; F52-F89 HydrophobicContact CE2-CD2 4.08Å; F52-F89 AromaticContact CE2-CE2 3.19Å; F52-F89 HydrophobicContact CE2-CE2 3.19Å; F52-F89 AromaticContact CE2-CZ 3.65Å; F52-F89 HydrophobicContact CE2-CZ 3.65Å; F52-F89 HydrophobicContact CZ-CE2 4.12Å; F52-F93 HydrophobicContact CD2-CB 4.01Å; F52-F93 HydrophobicContact CD2-CD2 4.15Å; F52-F93 HydrophobicContact CE2-CB 4.37Å; F52-F93 AromaticContact CE2-CD2 3.77Å; F52-F93 HydrophobicContact CE2-CD2 3.77Å; F52-L96 HydrophobicContact CB-CD2 4.14Å; F52-L96 HydrophobicContact CD1-CD2 3.84Å; F52-L96 HydrophobicContact CD2-CD2 4.37Å; F52-L96 HydrophobicContact CE1-CD2 4.35Å; F52-L96 HydrophobicContact CG-CD2 3.85Å |
| 53 | L | 97.1 | Very high | 92.8 | Very high | 103 Ų | 103 | 53.6 Ų | 53.6 | 54% | 0.539 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 179.8 | -70.4 | 175.5 | 0 | 0 | 0 | 111.7 | T49 V50 S56 L57 | T49-L53 HydrophobicContact CG2-CD1 4.15Å; T49-L53 HydrophobicContact CG2-CG 4.44Å; T49-L53 VanDerWaalsContact O-CG 3.26Å; T49-L53 WeakPolarHBondContact O-CG 3.14Å; T49-L53 PolarHBondContact O-N 2.84Å; V50-L53 PolarHBondContact O-N 3.11Å; L53-S56 PolarHBondContact O-N 3.19Å; L53-L57 WeakPolarHBondContact O-CB 3.32Å; L53-L57 PolarHBondContact O-N 3.4Å |
| 54 | I | 96.6 | Very high | 93 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 42% | 0.415 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 177.9 | -67.3 | 172.4 | 0 | 0 | 0 | 110 | V50 S56 L57 L58 V88 | V50-I54 HydrophobicContact CG1-CD1 3.61Å; V50-I54 HydrophobicContact CG1-CG1 4.36Å; V50-I54 WeakPolarHBondContact O-CB 3.37Å; V50-I54 WeakPolarHBondContact O-CG1 3.18Å; V50-I54 PolarHBondContact O-N 3.2Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.48Å; I54-L57 PolarHBondContact O-N 3.38Å; I54-L58 HydrophobicContact CG2-CD1 3.77Å; I54-L58 WeakPolarHBondContact O-CD1 3.32Å; I54-L58 PolarHBondContact O-N 3.31Å; I54-V88 HydrophobicContact CG2-CG1 4.46Å |
| 55 | G | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L51 L57 L58 I59 | L51-G55 PolarHBondContact O-N 3.5Å; G55-L57 VanDerWaalsContact C-N 3.35Å; G55-L57 PolarHBondContact O-N 3.3Å; G55-L58 PolarHBondContact O-N 3.25Å; G55-I59 VanDerWaalsContact O-CG1 3.24Å; G55-I59 WeakPolarHBondContact O-CG1 3.41Å; G55-I59 PolarHBondContact O-N 2.88Å |
| 56 | S | 97 | Very high | 93 | Very high | 31 Ų | 31 | 56.1 Ų | 56.1 | 22% | 0.217 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.9 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | F52 L53 I54 I59 T60 F89 | F52-S56 VanDerWaalsContact O-CB 3.25Å; F52-S56 WeakPolarHBondContact O-CB 3.44Å; F52-S56 PolarHBondContact O-N 3.33Å; F52-S56 PolarHBondContact O-OG 3.13Å; L53-S56 PolarHBondContact O-N 3.19Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.48Å; S56-I59 PolarHBondContact O-N 3.46Å; S56-T60 WeakPolarHBondContact O-CB 3.12Å; S56-T60 PolarHBondContact O-N 3.4Å; S56-T60 PolarHBondContact O-OG1 2.92Å; S56-F89 WeakPolarHBondContact OG-CD2 3.06Å; S56-F89 VanDerWaalsContact OG-CE2 3.3Å; S56-F89 WeakPolarHBondContact OG-CE2 3.36Å |
| 57 | L | 96.1 | Very high | 92.8 | Very high | 103 Ų | 103 | 57.4 Ų | 57.4 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 176.8 | -177.6 | 68.1 | 0 | 0 | 0 | 111 | L53 I54 G55 I59 T60 I61 | L53-L57 WeakPolarHBondContact O-CB 3.32Å; L53-L57 PolarHBondContact O-N 3.4Å; I54-L57 PolarHBondContact O-N 3.38Å; G55-L57 VanDerWaalsContact C-N 3.35Å; G55-L57 PolarHBondContact O-N 3.3Å; L57-I59 VanDerWaalsContact C-N 3.35Å; L57-I59 PolarHBondContact O-N 2.96Å; L57-T60 PolarHBondContact O-N 3.42Å; L57-I61 HydrophobicContact CD1-CD1 3.98Å; L57-I61 HydrophobicContact CD1-CG1 4.39Å; L57-I61 HydrophobicContact CD2-CD1 4.46Å; L57-I61 HydrophobicContact CG-CD1 3.81Å; L57-I61 WeakPolarHBondContact O-CB 3.37Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.03Å |
| 58 | L | 94.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 178.4 | -92 | 72.7 | 0 | 0 | 0 | 111.9 | I54 G55 G62 I84 | I54-L58 HydrophobicContact CG2-CD1 3.77Å; I54-L58 WeakPolarHBondContact O-CD1 3.32Å; I54-L58 PolarHBondContact O-N 3.31Å; G55-L58 PolarHBondContact O-N 3.25Å; L58-G62 PolarHBondContact O-N 3.48Å; L58-I84 HydrophobicContact CD2-CG2 3.92Å |
| 59 | I | 95.5 | Very high | 91.9 | Very high | 45 Ų | 45 | 65.1 Ų | 65.1 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 175.6 | -68.1 | 167.8 | 0 | 0 | 0 | 110.5 | G55 S56 L57 G62 A63 L82 G85 I86 F89 | G55-I59 VanDerWaalsContact O-CG1 3.24Å; G55-I59 WeakPolarHBondContact O-CG1 3.41Å; G55-I59 PolarHBondContact O-N 2.88Å; S56-I59 PolarHBondContact O-N 3.46Å; L57-I59 VanDerWaalsContact C-N 3.35Å; L57-I59 PolarHBondContact O-N 2.96Å; I59-G62 PolarHBondContact O-N 3.46Å; I59-A63 WeakPolarHBondContact O-CB 3.39Å; I59-A63 PolarHBondContact O-N 3.21Å; I59-L82 HydrophobicContact CB-CD1 4.49Å; I59-L82 HydrophobicContact CG2-CD1 4.11Å; I59-G85 VanDerWaalsContact CG1-C 3.49Å; I59-I86 HydrophobicContact CD1-CG1 4.08Å; I59-I86 HydrophobicContact CG1-CG1 4.08Å; I59-F89 HydrophobicContact CD1-CB 3.59Å; I59-F89 HydrophobicContact CD1-CD1 4.25Å; I59-F89 HydrophobicContact CD1-CD2 4.09Å; I59-F89 HydrophobicContact CD1-CG 3.73Å |
| 60 | T | 94.8 | Very high | 91.1 | Very high | 77 Ų | 77 | 68.1 Ų | 68.1 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | -179.9 | -56 | 0 | 0 | 0 | 0 | 110.7 | S56 L57 A63 L64 | S56-T60 WeakPolarHBondContact O-CB 3.12Å; S56-T60 PolarHBondContact O-N 3.4Å; S56-T60 PolarHBondContact O-OG1 2.92Å; L57-T60 PolarHBondContact O-N 3.42Å; T60-A63 PolarHBondContact O-N 3.43Å; T60-L64 HydrophobicContact CG2-CD1 4.14Å; T60-L64 WeakPolarHBondContact O-CB 3.16Å; T60-L64 VanDerWaalsContact O-CG 3.25Å; T60-L64 WeakPolarHBondContact O-CG 3.41Å; T60-L64 PolarHBondContact O-N 2.7Å |
| 61 | I | 91.6 | Very high | 89.8 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 39% | 0.385 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 176.6 | -66.2 | 169.6 | 0 | 0 | 0 | 110.2 | L57 A63 L64 L65 | L57-I61 HydrophobicContact CD1-CD1 3.98Å; L57-I61 HydrophobicContact CD1-CG1 4.39Å; L57-I61 HydrophobicContact CD2-CD1 4.46Å; L57-I61 HydrophobicContact CG-CD1 3.81Å; L57-I61 WeakPolarHBondContact O-CB 3.37Å; L57-I61 VanDerWaalsContact O-CG1 3.29Å; L57-I61 WeakPolarHBondContact O-CG1 3.39Å; L57-I61 PolarHBondContact O-N 3.03Å; I61-A63 VanDerWaalsContact C-N 3.29Å; I61-A63 PolarHBondContact O-N 3.25Å; I61-L64 PolarHBondContact O-N 2.93Å; I61-L65 HydrophobicContact CG2-CD1 3.97Å; I61-L65 HydrophobicContact CG2-CG 4.23Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.24Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.31Å |
| 62 | G | 90.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L58 I59 L66 T78 | L58-G62 PolarHBondContact O-N 3.48Å; I59-G62 PolarHBondContact O-N 3.46Å; G62-L66 WeakPolarHBondContact O-CB 3Å; G62-L66 PolarHBondContact O-N 2.88Å; G62-T78 VanDerWaalsContact O-CG2 3.25Å; G62-T78 WeakPolarHBondContact O-CG2 3.31Å |
| 63 | A | 91.1 | Very high | 87.2 | Confident | 45 Ų | 45 | 78.1 Ų | 78.1 | 37% | 0.372 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I59 T60 I61 L66 A67 | I59-A63 WeakPolarHBondContact O-CB 3.39Å; I59-A63 PolarHBondContact O-N 3.21Å; T60-A63 PolarHBondContact O-N 3.43Å; I61-A63 VanDerWaalsContact C-N 3.29Å; I61-A63 PolarHBondContact O-N 3.25Å; A63-L66 PolarHBondContact O-N 3.04Å; A63-A67 WeakPolarHBondContact O-CB 3.44Å; A63-A67 PolarHBondContact O-N 3.13Å |
| 64 | L | 90.3 | Very high | 85.8 | Confident | 68 Ų | 68 | 77.4 Ų | 77.4 | 36% | 0.356 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.8 | -72.8 | 172.6 | 0 | 0 | 0 | 112.3 | T60 I61 L66 A67 G68 Y69 F70 | T60-L64 HydrophobicContact CG2-CD1 4.14Å; T60-L64 WeakPolarHBondContact O-CB 3.16Å; T60-L64 VanDerWaalsContact O-CG 3.25Å; T60-L64 WeakPolarHBondContact O-CG 3.41Å; T60-L64 PolarHBondContact O-N 2.7Å; I61-L64 PolarHBondContact O-N 2.93Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-A67 PolarHBondContact O-N 3.26Å; L64-G68 PolarHBondContact O-N 2.65Å; L64-Y69 PolarHBondContact O-N 2.92Å; L64-F70 HydrophobicContact CB-CE2 4.33Å |
| 65 | L | 87.6 | Confident | 84.5 | Confident | 35 Ų | 35 | 76.8 Ų | 76.8 | 18% | 0.183 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 173.4 | -72.5 | -179.9 | 0 | 0 | 0 | 111.3 | I61 G68 F70 V72 T78 | I61-L65 HydrophobicContact CG2-CD1 3.97Å; I61-L65 HydrophobicContact CG2-CG 4.23Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.24Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.31Å; L65-G68 PolarHBondContact O-N 3.38Å; L65-F70 HydrophobicContact CD2-CB 4.03Å; L65-F70 HydrophobicContact CD2-CD2 4.07Å; L65-F70 HydrophobicContact CD2-CG 4.42Å; L65-V72 HydrophobicContact CD2-CG1 3.57Å; L65-T78 HydrophobicContact CB-CG2 3.5Å; L65-T78 VanDerWaalsContact CB-CG2 3.5Å |
| 66 | L | 85.1 | Confident | 83.7 | Confident | 111 Ų | 111 | 82.1 Ų | 82.1 | 58% | 0.581 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -71.7 | -34 | 178.7 | -172.4 | 63.5 | 0 | 0 | 0 | 112 | G62 A63 L64 G68 T78 L82 | G62-L66 WeakPolarHBondContact O-CB 3Å; G62-L66 PolarHBondContact O-N 2.88Å; A63-L66 PolarHBondContact O-N 3.04Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L66-G68 PolarHBondContact O-N 3.42Å; L66-T78 HydrophobicContact CB-CG2 3.85Å; L66-T78 HydrophobicContact CD1-CG2 4.46Å; L66-L82 HydrophobicContact CD2-CD2 4.41Å |
| 67 | A | 86.4 | Confident | 82.8 | Confident | 80 Ų | 80 | 88 Ų | 88 | 66% | 0.661 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -4.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A63 L64 Y69 | A63-A67 WeakPolarHBondContact O-CB 3.44Å; A63-A67 PolarHBondContact O-N 3.13Å; L64-A67 PolarHBondContact O-N 3.26Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 PolarHBondContact O-N 3.17Å |
| 68 | G | 81.9 | Confident | 82.4 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 20.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L64 L65 L66 F70 | L64-G68 PolarHBondContact O-N 2.65Å; L65-G68 PolarHBondContact O-N 3.38Å; L66-G68 PolarHBondContact O-N 3.42Å; G68-F70 PolarHBondContact O-N 3.04Å |
| 69 | Y | 82.2 | Confident | 82.1 | Confident | 183 Ų | 183 | 84.8 Ų | 84.8 | 72% | 0.718 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -69.4 | -24 | 179 | -150.6 | -91.5 | 0 | 0 | 0 | 112.4 | L64 A67 | L64-Y69 PolarHBondContact O-N 2.92Å; A67-Y69 VanDerWaalsContact C-N 3.3Å; A67-Y69 PolarHBondContact O-N 3.17Å |
| 70 | F | 75.9 | Confident | 81.9 | Confident | 111 Ų | 111 | 85.7 Ų | 85.7 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -117.6 | 130.7 | 172.1 | -61.5 | -77.4 | 0 | 0 | 0 | 109.1 | L64 L65 G68 V72 | L64-F70 HydrophobicContact CB-CE2 4.33Å; L65-F70 HydrophobicContact CD2-CB 4.03Å; L65-F70 HydrophobicContact CD2-CD2 4.07Å; L65-F70 HydrophobicContact CD2-CG 4.42Å; G68-F70 PolarHBondContact O-N 3.04Å; F70-V72 VanDerWaalsContact C-N 3.33Å; F70-V72 PolarHBondContact O-N 3.24Å |
| 71 | E | 66.4 | Low | 81.7 | Confident | 203 Ų | 203 | 84.3 Ų | 84.3 | 95% | 0.949 | 47% | 0.465 | S | S | * | . | trans | -70.9 | 90.8 | 174.6 | -164.2 | 170.3 | -162.4 | 0 | 0 | 108.8 | ||||
| 72 | V | 66.4 | Low | 81.8 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 36% | 0.358 | 46% | 0.456 | S | S | . | . | trans | -92.8 | 122.4 | 179.9 | -81.6 | 0 | 0 | 0 | 0 | 110.8 | L65 F70 H74 | L65-V72 HydrophobicContact CD2-CG1 3.57Å; F70-V72 VanDerWaalsContact C-N 3.33Å; F70-V72 PolarHBondContact O-N 3.24Å; V72-H74 PolarHBondContact O-N 3.21Å; V72-H74 VanDerWaalsContact O-N 3.14Å | ||
| 73 | T | 67.9 | Low | 82.1 | Confident | 131 Ų | 131 | 86.8 Ų | 86.8 | 80% | 0.804 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -60.7 | -21.6 | 174.9 | -42.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 74 | H | 67.9 | Low | 82.3 | Confident | 87 Ų | 87 | 89 Ų | 89 | 40% | 0.403 | 48% | 0.483 | S | S | . | . | trans | -132.2 | 76.6 | -174.9 | -64.2 | -48.3 | 0 | 0 | 0 | 111.2 | V72 D76 R77 | V72-H74 PolarHBondContact O-N 3.21Å; V72-H74 VanDerWaalsContact O-N 3.14Å; H74-D76 WeakPolarHBondContact CA-OD1 3.3Å; H74-D76 WeakPolarHBondContact CB-OD1 3.43Å; H74-D76 IonicContact CG-OD1 3.98Å; H74-D76 PolarHBondContact O-N 2.69Å; H74-R77 HydrophobicContact CB-CG 4Å; H74-R77 PolarHBondContact CD2-NH2 3.41Å; H74-R77 PolarHBondContact O-N 2.89Å; H74-R77 VanDerWaalsContact O-N 3.14Å | ||
| 75 | A | 70.9 | Confident | 82.5 | Confident | 69 Ų | 69 | 85.8 Ų | 85.8 | 57% | 0.57 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -60.8 | -21.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R77 T78 | A75-R77 PolarHBondContact O-N 2.82Å; A75-T78 WeakPolarHBondContact O-CB 3.42Å; A75-T78 PolarHBondContact O-N 2.89Å; A75-T78 PolarHBondContact O-OG1 3.17Å |
| 76 | D | 77.1 | Confident | 82.9 | Confident | 112 Ų | 112 | 87.8 Ų | 87.8 | 60% | 0.599 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -60.7 | -24.6 | 173.9 | 55.8 | -53.3 | 0 | 0 | 0 | 113.4 | H74 P80 | H74-D76 WeakPolarHBondContact CA-OD1 3.3Å; H74-D76 WeakPolarHBondContact CB-OD1 3.43Å; H74-D76 IonicContact CG-OD1 3.98Å; H74-D76 PolarHBondContact O-N 2.69Å; D76-P80 VanDerWaalsContact O-CD 3.24Å; D76-P80 WeakPolarHBondContact O-CD 3.24Å |
| 77 | R | 79.6 | Confident | 83.5 | Confident | 154 Ų | 154 | 87.9 Ų | 87.9 | 58% | 0.581 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -84 | -14.4 | -179.3 | -60.2 | -177.4 | -172.4 | -174.9 | 3.7 | 113.8 | H74 A75 P80 V81 | H74-R77 HydrophobicContact CB-CG 4Å; H74-R77 PolarHBondContact CD2-NH2 3.41Å; H74-R77 PolarHBondContact O-N 2.89Å; H74-R77 VanDerWaalsContact O-N 3.14Å; A75-R77 PolarHBondContact O-N 2.82Å; R77-P80 WeakPolarHBondContact O-CD 3.25Å; R77-V81 WeakPolarHBondContact O-CG2 3.26Å |
| 78 | T | 86.3 | Confident | 83.9 | Confident | 4 Ų | 4 | 86.1 Ų | 86.1 | 3% | 0.025 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -70.2 | -44.2 | -176.4 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | G62 L65 L66 A75 V81 L82 | G62-T78 VanDerWaalsContact O-CG2 3.25Å; G62-T78 WeakPolarHBondContact O-CG2 3.31Å; L65-T78 HydrophobicContact CB-CG2 3.5Å; L65-T78 VanDerWaalsContact CB-CG2 3.5Å; L66-T78 HydrophobicContact CB-CG2 3.85Å; L66-T78 HydrophobicContact CD1-CG2 4.46Å; A75-T78 WeakPolarHBondContact O-CB 3.42Å; A75-T78 PolarHBondContact O-N 2.89Å; A75-T78 PolarHBondContact O-OG1 3.17Å; T78-V81 PolarHBondContact O-N 3.41Å; T78-L82 PolarHBondContact O-N 3.43Å; T78-L82 VanDerWaalsContact O-N 3.08Å |
| 79 | V | 88.6 | Confident | 84.6 | Confident | 77 Ų | 77 | 86.1 Ų | 86.1 | 47% | 0.467 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64 | -46 | -176.1 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | V81 L82 I83 | V79-V81 PolarHBondContact O-N 2.91Å; V79-L82 PolarHBondContact O-N 3.43Å; V79-I83 HydrophobicContact CG1-CD1 3.82Å; V79-I83 HydrophobicContact CG1-CG1 4.41Å; V79-I83 VanDerWaalsContact O-CG1 3.31Å; V79-I83 WeakPolarHBondContact O-CG1 3.37Å; V79-I83 PolarHBondContact O-N 2.73Å |
| 80 | P | 91.8 | Very high | 85.2 | Confident | 63 Ų | 63 | 82.3 Ų | 82.3 | 41% | 0.409 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.3 | -42 | 174 | -26.5 | 35 | 0 | 0 | 0 | 113.9 | D76 R77 L82 I83 I84 | D76-P80 VanDerWaalsContact O-CD 3.24Å; D76-P80 WeakPolarHBondContact O-CD 3.24Å; R77-P80 WeakPolarHBondContact O-CD 3.25Å; P80-L82 VanDerWaalsContact C-N 3.33Å; P80-L82 PolarHBondContact O-N 2.91Å; P80-I83 PolarHBondContact O-N 2.96Å; P80-I84 VanDerWaalsContact O-CG1 3.26Å; P80-I84 WeakPolarHBondContact O-CG1 3.34Å; P80-I84 PolarHBondContact O-N 3.33Å |
| 81 | V | 91.6 | Very high | 86 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 30% | 0.297 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | R77 T78 V79 I84 G85 | R77-V81 WeakPolarHBondContact O-CG2 3.26Å; T78-V81 PolarHBondContact O-N 3.41Å; V79-V81 PolarHBondContact O-N 2.91Å; V81-I84 PolarHBondContact O-N 2.87Å; V81-G85 PolarHBondContact O-N 3.28Å |
| 82 | L | 93.4 | Very high | 87.3 | Confident | 38 Ų | 38 | 69.8 Ų | 69.8 | 20% | 0.199 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 176.9 | -175.9 | 64.5 | 0 | 0 | 0 | 111.7 | I59 L66 T78 V79 P80 G85 I86 | I59-L82 HydrophobicContact CB-CD1 4.49Å; I59-L82 HydrophobicContact CG2-CD1 4.11Å; L66-L82 HydrophobicContact CD2-CD2 4.41Å; T78-L82 PolarHBondContact O-N 3.43Å; T78-L82 VanDerWaalsContact O-N 3.08Å; V79-L82 PolarHBondContact O-N 3.43Å; P80-L82 VanDerWaalsContact C-N 3.33Å; P80-L82 PolarHBondContact O-N 2.91Å; L82-G85 PolarHBondContact O-N 3.37Å; L82-I86 HydrophobicContact CG-CD1 4.23Å; L82-I86 WeakPolarHBondContact O-CG1 3.26Å; L82-I86 PolarHBondContact O-N 3.29Å |
| 83 | I | 95 | Very high | 88.6 | Confident | 89 Ų | 89 | 72 Ų | 72 | 46% | 0.456 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 177.6 | -68.4 | 167.3 | 0 | 0 | 0 | 110.5 | V79 P80 G85 I86 L87 | V79-I83 HydrophobicContact CG1-CD1 3.82Å; V79-I83 HydrophobicContact CG1-CG1 4.41Å; V79-I83 VanDerWaalsContact O-CG1 3.31Å; V79-I83 WeakPolarHBondContact O-CG1 3.37Å; V79-I83 PolarHBondContact O-N 2.73Å; P80-I83 PolarHBondContact O-N 2.96Å; I83-G85 VanDerWaalsContact C-N 3.31Å; I83-G85 PolarHBondContact O-N 2.92Å; I83-I86 PolarHBondContact O-N 2.96Å; I83-L87 HydrophobicContact CG2-CD1 4.02Å; I83-L87 HydrophobicContact CG2-CG 4.41Å; I83-L87 WeakPolarHBondContact O-CG 3.39Å; I83-L87 PolarHBondContact O-N 3.23Å |
| 84 | I | 95.3 | Very high | 89.7 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 47% | 0.467 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 177.8 | -66.8 | 165.2 | 0 | 0 | 0 | 110.2 | L58 P80 V81 I86 L87 V88 | L58-I84 HydrophobicContact CD2-CG2 3.92Å; P80-I84 VanDerWaalsContact O-CG1 3.26Å; P80-I84 WeakPolarHBondContact O-CG1 3.34Å; P80-I84 PolarHBondContact O-N 3.33Å; V81-I84 PolarHBondContact O-N 2.87Å; I84-I86 VanDerWaalsContact C-N 3.33Å; I84-I86 PolarHBondContact O-N 3.26Å; I84-L87 PolarHBondContact O-N 2.97Å; I84-V88 HydrophobicContact CG2-CG2 4.25Å; I84-V88 VanDerWaalsContact O-CG2 3.32Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 2.93Å |
| 85 | G | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.8 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I59 V81 L82 I83 V88 F89 | I59-G85 VanDerWaalsContact CG1-C 3.49Å; V81-G85 PolarHBondContact O-N 3.28Å; L82-G85 PolarHBondContact O-N 3.37Å; I83-G85 VanDerWaalsContact C-N 3.31Å; I83-G85 PolarHBondContact O-N 2.92Å; G85-V88 PolarHBondContact O-N 3.08Å; G85-F89 WeakPolarHBondContact O-CB 2.9Å; G85-F89 PolarHBondContact O-N 3.26Å |
| 86 | I | 96.1 | Very high | 91.7 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 176.8 | -67.4 | 167.7 | 0 | 0 | 0 | 111 | I59 L82 I83 I84 V88 F89 L90 | I59-I86 HydrophobicContact CD1-CG1 4.08Å; I59-I86 HydrophobicContact CG1-CG1 4.08Å; L82-I86 HydrophobicContact CG-CD1 4.23Å; L82-I86 WeakPolarHBondContact O-CG1 3.26Å; L82-I86 PolarHBondContact O-N 3.29Å; I83-I86 PolarHBondContact O-N 2.96Å; I84-I86 VanDerWaalsContact C-N 3.33Å; I84-I86 PolarHBondContact O-N 3.26Å; I86-V88 VanDerWaalsContact C-N 3.31Å; I86-V88 PolarHBondContact O-N 3.28Å; I86-F89 PolarHBondContact O-N 2.93Å; I86-L90 HydrophobicContact CG2-CD1 3.73Å; I86-L90 WeakPolarHBondContact O-CD1 3.39Å; I86-L90 PolarHBondContact O-N 2.65Å |
| 87 | L | 96.6 | Very high | 92.4 | Very high | 113 Ų | 113 | 68.2 Ų | 68.2 | 59% | 0.592 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.2 | -36 | -179.3 | -70.8 | 175.9 | 0 | 0 | 0 | 113 | I83 I84 P91 | I83-L87 HydrophobicContact CG2-CD1 4.02Å; I83-L87 HydrophobicContact CG2-CG 4.41Å; I83-L87 WeakPolarHBondContact O-CG 3.39Å; I83-L87 PolarHBondContact O-N 3.23Å; I84-L87 PolarHBondContact O-N 2.97Å; L87-P91 WeakPolarHBondContact O-CD 3.32Å |
| 88 | V | 95.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 26% | 0.261 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -77.8 | -35.4 | 176.8 | 175 | 0 | 0 | 0 | 0 | 111.5 | L51 I54 I84 G85 I86 P91 | L51-V88 HydrophobicContact CG-CG1 4.06Å; I54-V88 HydrophobicContact CG2-CG1 4.46Å; I84-V88 HydrophobicContact CG2-CG2 4.25Å; I84-V88 VanDerWaalsContact O-CG2 3.32Å; I84-V88 WeakPolarHBondContact O-CG2 3.41Å; I84-V88 PolarHBondContact O-N 2.93Å; G85-V88 PolarHBondContact O-N 3.08Å; I86-V88 VanDerWaalsContact C-N 3.31Å; I86-V88 PolarHBondContact O-N 3.28Å; V88-P91 WeakPolarHBondContact O-CD 3.35Å; V88-P91 WeakPolarHBondContact O-CG 3.36Å |
| 89 | F | 95.8 | Very high | 92.9 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 24% | 0.237 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.8 | -43 | -179.7 | 177 | -92.3 | 0 | 0 | 0 | 113 | F52 S56 I59 G85 I86 G92 F93 | F52-F89 AromaticContact CD2-CD2 3.92Å; F52-F89 HydrophobicContact CD2-CD2 3.92Å; F52-F89 AromaticContact CD2-CE2 3.49Å; F52-F89 HydrophobicContact CD2-CE2 3.49Å; F52-F89 VanDerWaalsContact CD2-CE2 3.49Å; F52-F89 HydrophobicContact CD2-CZ 4.13Å; F52-F89 HydrophobicContact CE2-CD2 4.08Å; F52-F89 AromaticContact CE2-CE2 3.19Å; F52-F89 HydrophobicContact CE2-CE2 3.19Å; F52-F89 AromaticContact CE2-CZ 3.65Å; F52-F89 HydrophobicContact CE2-CZ 3.65Å; F52-F89 HydrophobicContact CZ-CE2 4.12Å; S56-F89 WeakPolarHBondContact OG-CD2 3.06Å; S56-F89 VanDerWaalsContact OG-CE2 3.3Å; S56-F89 WeakPolarHBondContact OG-CE2 3.36Å; I59-F89 HydrophobicContact CD1-CB 3.59Å; I59-F89 HydrophobicContact CD1-CD1 4.25Å; I59-F89 HydrophobicContact CD1-CD2 4.09Å; I59-F89 HydrophobicContact CD1-CG 3.73Å; G85-F89 WeakPolarHBondContact O-CB 2.9Å; G85-F89 PolarHBondContact O-N 3.26Å; I86-F89 PolarHBondContact O-N 2.93Å; F89-G92 PolarHBondContact O-N 2.97Å; F89-F93 HydrophobicContact CD1-CB 4.23Å; F89-F93 HydrophobicContact CE1-CB 3.84Å; F89-F93 HydrophobicContact CE1-CD1 4.49Å; F89-F93 HydrophobicContact CE1-CG 4.06Å; F89-F93 HydrophobicContact CZ-CB 4.03Å; F89-F93 HydrophobicContact CZ-CD2 4.19Å; F89-F93 HydrophobicContact CZ-CG 4.12Å; F89-F93 WeakPolarHBondContact O-CB 3.2Å; F89-F93 PolarHBondContact O-N 3.23Å |
| 90 | L | 95.4 | Very high | 92.8 | Very high | 103 Ų | 103 | 63.3 Ų | 63.3 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -50.1 | -57 | -178.5 | -89.4 | 147.7 | 0 | 0 | 0 | 113.8 | I86 Y94 | I86-L90 HydrophobicContact CG2-CD1 3.73Å; I86-L90 WeakPolarHBondContact O-CD1 3.39Å; I86-L90 PolarHBondContact O-N 2.65Å; L90-Y94 VanDerWaalsContact O-CB 3.32Å; L90-Y94 WeakPolarHBondContact O-CB 3.24Å; L90-Y94 PolarHBondContact O-N 3.42Å |
| 91 | P | 92.7 | Very high | 92.5 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 34% | 0.338 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 178.7 | 24.4 | -32.4 | 0 | 0 | 0 | 112.3 | L51 L87 V88 Y94 H95 | L51-P91 HydrophobicContact CD2-CB 4.33Å; L51-P91 HydrophobicContact CD2-CG 4.01Å; L87-P91 WeakPolarHBondContact O-CD 3.32Å; V88-P91 WeakPolarHBondContact O-CD 3.35Å; V88-P91 WeakPolarHBondContact O-CG 3.36Å; P91-Y94 PolarHBondContact O-N 3.44Å; P91-H95 PolarHBondContact O-CD2 3.44Å; P91-H95 PolarHBondContact O-N 2.95Å |
| 92 | G | 92.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F89 L96 | F89-G92 PolarHBondContact O-N 2.97Å; G92-L96 WeakPolarHBondContact O-CB 3.4Å; G92-L96 PolarHBondContact O-N 3.39Å |
| 93 | F | 94.3 | Very high | 91.6 | Very high | 104 Ų | 104 | 63.7 Ų | 63.7 | 46% | 0.456 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 178.5 | -180 | -109.9 | 0 | 0 | 0 | 112.2 | F52 F89 L96 R97 | F52-F93 HydrophobicContact CD2-CB 4.01Å; F52-F93 HydrophobicContact CD2-CD2 4.15Å; F52-F93 HydrophobicContact CE2-CB 4.37Å; F52-F93 AromaticContact CE2-CD2 3.77Å; F52-F93 HydrophobicContact CE2-CD2 3.77Å; F89-F93 HydrophobicContact CD1-CB 4.23Å; F89-F93 HydrophobicContact CE1-CB 3.84Å; F89-F93 HydrophobicContact CE1-CD1 4.49Å; F89-F93 HydrophobicContact CE1-CG 4.06Å; F89-F93 HydrophobicContact CZ-CB 4.03Å; F89-F93 HydrophobicContact CZ-CD2 4.19Å; F89-F93 HydrophobicContact CZ-CG 4.12Å; F89-F93 WeakPolarHBondContact O-CB 3.2Å; F89-F93 PolarHBondContact O-N 3.23Å; F93-L96 PolarHBondContact O-N 3.4Å; F93-R97 WeakPolarHBondContact O-CB 3.25Å; F93-R97 PolarHBondContact O-N 3.24Å |
| 94 | Y | 91.4 | Very high | 91 | Very high | 138 Ų | 138 | 65.3 Ų | 65.3 | 54% | 0.541 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.6 | -51.6 | -179.6 | 176.4 | -100.6 | 0 | 0 | 0 | 112.2 | L90 P91 R97 I98 | L90-Y94 VanDerWaalsContact O-CB 3.32Å; L90-Y94 WeakPolarHBondContact O-CB 3.24Å; L90-Y94 PolarHBondContact O-N 3.42Å; P91-Y94 PolarHBondContact O-N 3.44Å; Y94-R97 PolarHBondContact O-N 2.91Å; Y94-I98 HydrophobicContact CD1-CD1 4.04Å; Y94-I98 HydrophobicContact CD2-CD1 4.49Å; Y94-I98 HydrophobicContact CE1-CD1 3.48Å; Y94-I98 VanDerWaalsContact CE1-CD1 3.48Å; Y94-I98 HydrophobicContact CE2-CD1 4Å; Y94-I98 VanDerWaalsContact CZ-CD1 3.46Å; Y94-I98 WeakPolarHBondContact O-CG1 3.44Å; Y94-I98 PolarHBondContact O-N 3.41Å |
| 95 | H | 90.5 | Very high | 90.1 | Very high | 51 Ų | 51 | 63.8 Ų | 63.8 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71 | -38 | -179.6 | -69.2 | -61.8 | 0 | 0 | 0 | 112.3 | A48 P91 R97 I98 A99 | A48-H95 HydrophobicContact CB-CB 3.75Å; P91-H95 PolarHBondContact O-CD2 3.44Å; P91-H95 PolarHBondContact O-N 2.95Å; H95-R97 VanDerWaalsContact C-N 3.28Å; H95-R97 PolarHBondContact O-N 3.3Å; H95-I98 PolarHBondContact O-N 2.88Å; H95-A99 WeakPolarHBondContact O-CB 3.29Å; H95-A99 PolarHBondContact O-N 3.19Å |
| 96 | L | 90.8 | Very high | 89.3 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 176.5 | -172.2 | 62.6 | 0 | 0 | 0 | 111.6 | F52 G92 F93 A99 Y100 | F52-L96 HydrophobicContact CB-CD2 4.14Å; F52-L96 HydrophobicContact CD1-CD2 3.84Å; F52-L96 HydrophobicContact CD2-CD2 4.37Å; F52-L96 HydrophobicContact CE1-CD2 4.35Å; F52-L96 HydrophobicContact CG-CD2 3.85Å; G92-L96 WeakPolarHBondContact O-CB 3.4Å; G92-L96 PolarHBondContact O-N 3.39Å; F93-L96 PolarHBondContact O-N 3.4Å; L96-A99 PolarHBondContact O-N 3.24Å; L96-Y100 WeakPolarHBondContact O-CB 3.16Å; L96-Y100 PolarHBondContact O-N 3.21Å |
| 97 | R | 90.5 | Very high | 88.1 | Confident | 87 Ų | 87 | 77.9 Ų | 77.9 | 33% | 0.328 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 175.3 | 178.9 | -94.7 | -179.9 | 173.4 | -5.5 | 111.5 | F93 Y94 H95 Y100 Y101 Y109 | F93-R97 WeakPolarHBondContact O-CB 3.25Å; F93-R97 PolarHBondContact O-N 3.24Å; Y94-R97 PolarHBondContact O-N 2.91Å; H95-R97 VanDerWaalsContact C-N 3.28Å; H95-R97 PolarHBondContact O-N 3.3Å; R97-Y100 PolarHBondContact O-N 2.93Å; R97-Y101 HydrophobicContact CG-CD2 3.75Å; R97-Y101 HydrophobicContact CG-CE2 3.58Å; R97-Y101 WeakPolarHBondContact O-CD2 3.32Å; R97-Y101 PolarHBondContact O-N 3.36Å; R97-Y109 PolarHBondContact NH1-OH 3.46Å; R97-Y109 VanDerWaalsContact NH1-OH 3.13Å; R97-Y109 PolarHBondContact NH2-OH 3.28Å |
| 98 | I | 88.9 | Confident | 87.1 | Confident | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.1 | -46 | 178 | -67.3 | 167 | 0 | 0 | 0 | 110.3 | Y94 H95 Y100 Y101 A102 Y109 D113 I114 | Y94-I98 HydrophobicContact CD1-CD1 4.04Å; Y94-I98 HydrophobicContact CD2-CD1 4.49Å; Y94-I98 HydrophobicContact CE1-CD1 3.48Å; Y94-I98 VanDerWaalsContact CE1-CD1 3.48Å; Y94-I98 HydrophobicContact CE2-CD1 4Å; Y94-I98 VanDerWaalsContact CZ-CD1 3.46Å; Y94-I98 WeakPolarHBondContact O-CG1 3.44Å; Y94-I98 PolarHBondContact O-N 3.41Å; H95-I98 PolarHBondContact O-N 2.88Å; I98-Y100 VanDerWaalsContact C-N 3.31Å; I98-Y100 PolarHBondContact O-N 3.34Å; I98-Y101 PolarHBondContact O-N 2.81Å; I98-A102 VanDerWaalsContact O-CB 3.3Å; I98-A102 WeakPolarHBondContact O-CB 3.47Å; I98-A102 PolarHBondContact O-N 3.24Å; I98-Y109 HydrophobicContact CG1-CD1 4.46Å; I98-Y109 HydrophobicContact CG2-CD1 4.37Å; I98-D113 HydrophobicContact CG2-CB 4.08Å; I98-I114 HydrophobicContact CG2-CG1 4.14Å |
| 99 | A | 87.6 | Confident | 86.1 | Confident | 7 Ų | 7 | 77.4 Ų | 77.4 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | I45 H95 L96 A102 S103 I114 | I45-A99 HydrophobicContact CD1-CB 4.19Å; I45-A99 HydrophobicContact CG1-CB 3.89Å; H95-A99 WeakPolarHBondContact O-CB 3.29Å; H95-A99 PolarHBondContact O-N 3.19Å; L96-A99 PolarHBondContact O-N 3.24Å; A99-A102 PolarHBondContact O-N 2.92Å; A99-S103 WeakPolarHBondContact O-CB 3.49Å; A99-S103 PolarHBondContact O-N 3.45Å; A99-S103 PolarHBondContact O-OG 2.88Å; A99-I114 HydrophobicContact CB-CD1 3.67Å |
| 100 | Y | 86.8 | Confident | 85.1 | Confident | 118 Ų | 118 | 76.6 Ų | 76.6 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 176.8 | 179.8 | -97.1 | 0 | 0 | 0 | 111.7 | L96 R97 I98 A102 S103 K104 | L96-Y100 WeakPolarHBondContact O-CB 3.16Å; L96-Y100 PolarHBondContact O-N 3.21Å; R97-Y100 PolarHBondContact O-N 2.93Å; I98-Y100 VanDerWaalsContact C-N 3.31Å; I98-Y100 PolarHBondContact O-N 3.34Å; Y100-A102 PolarHBondContact O-N 3.42Å; Y100-S103 PolarHBondContact O-N 2.79Å; Y100-S103 PolarHBondContact O-OG 2.99Å; Y100-K104 HydrophobicContact CE1-CD 4.04Å; Y100-K104 PolarHBondContact O-N 2.92Å; Y100-K104 VanDerWaalsContact O-N 3.16Å; Y100-K104 WeakPolarHBondContact OH-CE 3.31Å; Y100-K104 PolarHBondContact OH-NZ 2.94Å |
| 101 | Y | 86 | Confident | 84.2 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -34.5 | 179.3 | -75.4 | -66.8 | 0 | 0 | 0 | 112.9 | R97 I98 K104 G105 Y106 Y109 | R97-Y101 HydrophobicContact CG-CD2 3.75Å; R97-Y101 HydrophobicContact CG-CE2 3.58Å; R97-Y101 WeakPolarHBondContact O-CD2 3.32Å; R97-Y101 PolarHBondContact O-N 3.36Å; I98-Y101 PolarHBondContact O-N 2.81Å; Y101-K104 PolarHBondContact O-N 3.33Å; Y101-G105 PolarHBondContact O-N 3.22Å; Y101-Y106 AromaticContact CD1-CD2 3.68Å; Y101-Y106 HydrophobicContact CD1-CD2 3.68Å; Y101-Y106 HydrophobicContact CD1-CE2 4.03Å; Y101-Y106 AromaticContact CD1-CG 3.97Å; Y101-Y106 HydrophobicContact CD1-CG 3.97Å; Y101-Y106 HydrophobicContact CE1-CD2 4.44Å; Y101-Y106 HydrophobicContact CE1-CE2 4.38Å; Y101-Y106 PolarHBondContact O-N 3.08Å; Y101-Y106 VanDerWaalsContact O-N 3.13Å; Y101-Y109 VanDerWaalsContact CB-CG 3.42Å; Y101-Y109 HydrophobicContact CD2-CE1 4.43Å; Y101-Y109 HydrophobicContact CG-CD2 4.31Å; Y101-Y109 HydrophobicContact CG-CE2 4.32Å; Y101-Y109 HydrophobicContact CG-CG 4.42Å |
| 102 | A | 85.3 | Confident | 83.3 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I98 A99 Y100 K104 G105 Y111 | I98-A102 VanDerWaalsContact O-CB 3.3Å; I98-A102 WeakPolarHBondContact O-CB 3.47Å; I98-A102 PolarHBondContact O-N 3.24Å; A99-A102 PolarHBondContact O-N 2.92Å; Y100-A102 PolarHBondContact O-N 3.42Å; A102-K104 VanDerWaalsContact C-N 3.3Å; A102-K104 PolarHBondContact O-N 3.45Å; A102-G105 PolarHBondContact O-N 2.94Å; A102-Y111 HydrophobicContact CB-CD1 3.97Å; A102-Y111 HydrophobicContact CB-CD2 4.28Å; A102-Y111 HydrophobicContact CB-CE1 3.9Å; A102-Y111 HydrophobicContact CB-CE2 4.21Å; A102-Y111 HydrophobicContact CB-CG 4.17Å |
| 103 | S | 81.2 | Confident | 82.4 | Confident | 71 Ų | 71 | 80.5 Ų | 80.5 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -31.4 | 177.5 | 71.6 | 0 | 0 | 0 | 0 | 113.8 | A99 Y100 G105 Y111 | A99-S103 WeakPolarHBondContact O-CB 3.49Å; A99-S103 PolarHBondContact O-N 3.45Å; A99-S103 PolarHBondContact O-OG 2.88Å; Y100-S103 PolarHBondContact O-N 2.79Å; Y100-S103 PolarHBondContact O-OG 2.99Å; S103-G105 VanDerWaalsContact C-N 3.31Å; S103-Y111 WeakPolarHBondContact CA-OH 3.26Å; S103-Y111 WeakPolarHBondContact CB-OH 3.35Å; S103-Y111 PolarHBondContact N-OH 3.49Å |
| 104 | K | 82.4 | Confident | 81.5 | Confident | 122 Ų | 122 | 76 Ų | 76 | 53% | 0.53 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.5 | 173.5 | -78.7 | -162.7 | 168.5 | -177.5 | 0 | 114.2 | Y100 Y101 A102 Y106 | Y100-K104 HydrophobicContact CE1-CD 4.04Å; Y100-K104 PolarHBondContact O-N 2.92Å; Y100-K104 VanDerWaalsContact O-N 3.16Å; Y100-K104 WeakPolarHBondContact OH-CE 3.31Å; Y100-K104 PolarHBondContact OH-NZ 2.94Å; Y101-K104 PolarHBondContact O-N 3.33Å; A102-K104 VanDerWaalsContact C-N 3.3Å; A102-K104 PolarHBondContact O-N 3.45Å; K104-Y106 VanDerWaalsContact C-N 3.34Å; K104-Y106 HydrophobicContact CB-CD2 3.64Å; K104-Y106 HydrophobicContact CB-CE2 3.72Å; K104-Y106 HydrophobicContact CD-CE2 4.01Å; K104-Y106 PolarHBondContact O-N 2.88Å |
| 105 | G | 76.4 | Confident | 80.7 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 62% | 0.619 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 26.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y101 A102 S103 R107 | Y101-G105 PolarHBondContact O-N 3.22Å; A102-G105 PolarHBondContact O-N 2.94Å; S103-G105 VanDerWaalsContact C-N 3.31Å; G105-R107 PolarHBondContact O-N 3.3Å |
| 106 | Y | 77.9 | Confident | 79.7 | Confident | 126 Ų | 126 | 74.2 Ų | 74.2 | 49% | 0.494 | 38% | 0.382 | S | S | . | . | trans | -65.1 | 132.6 | 174.5 | -82.9 | -94 | 0 | 0 | 0 | 110.5 | Y101 K104 G108 Y109 | Y101-Y106 AromaticContact CD1-CD2 3.68Å; Y101-Y106 HydrophobicContact CD1-CD2 3.68Å; Y101-Y106 HydrophobicContact CD1-CE2 4.03Å; Y101-Y106 AromaticContact CD1-CG 3.97Å; Y101-Y106 HydrophobicContact CD1-CG 3.97Å; Y101-Y106 HydrophobicContact CE1-CD2 4.44Å; Y101-Y106 HydrophobicContact CE1-CE2 4.38Å; Y101-Y106 PolarHBondContact O-N 3.08Å; Y101-Y106 VanDerWaalsContact O-N 3.13Å; K104-Y106 VanDerWaalsContact C-N 3.34Å; K104-Y106 HydrophobicContact CB-CD2 3.64Å; K104-Y106 HydrophobicContact CB-CE2 3.72Å; K104-Y106 HydrophobicContact CD-CE2 4.01Å; K104-Y106 PolarHBondContact O-N 2.88Å; Y106-G108 PolarHBondContact O-N 2.99Å; Y106-Y109 PolarHBondContact O-N 3.31Å | ||
| 107 | R | 71.5 | Confident | 78.6 | Confident | 248 Ų | 248 | 77 Ų | 77 | 94% | 0.936 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 126.8 | 177.2 | -65.3 | 176.4 | 66.8 | -173.8 | 0.5 | 109.7 | G105 | G105-R107 PolarHBondContact O-N 3.3Š|
| 108 | G | 75.3 | Confident | 77.2 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 76% | 0.763 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96 | 4.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y106 | Y106-G108 PolarHBondContact O-N 2.99Š|
| 109 | Y | 74.4 | Confident | 75.7 | Confident | 72 Ų | 72 | 86.4 Ų | 86.4 | 28% | 0.282 | 45% | 0.449 | S | S | . | . | trans | -116.7 | 119.3 | 170.3 | -64.7 | -83.4 | 0 | 0 | 0 | 109.3 | R97 I98 Y101 Y106 | R97-Y109 PolarHBondContact NH1-OH 3.46Å; R97-Y109 VanDerWaalsContact NH1-OH 3.13Å; R97-Y109 PolarHBondContact NH2-OH 3.28Å; I98-Y109 HydrophobicContact CG1-CD1 4.46Å; I98-Y109 HydrophobicContact CG2-CD1 4.37Å; Y101-Y109 VanDerWaalsContact CB-CG 3.42Å; Y101-Y109 HydrophobicContact CD2-CE1 4.43Å; Y101-Y109 HydrophobicContact CG-CD2 4.31Å; Y101-Y109 HydrophobicContact CG-CE2 4.32Å; Y101-Y109 HydrophobicContact CG-CG 4.42Å; Y106-Y109 PolarHBondContact O-N 3.31Å | ||
| 110 | S | 75.8 | Confident | 75.2 | Confident | 36 Ų | 36 | 90.4 Ų | 90.4 | 25% | 0.252 | 47% | 0.469 | S | S | . | . | trans | -115.6 | 151.7 | 172.6 | -167.2 | 0 | 0 | 0 | 0 | 110.1 | D112 D113 | S110-D112 PolarHBondContact O-N 3.41Å; S110-D112 WeakPolarHBondContact OG-CB 3.25Å; S110-D112 PolarHBondContact OG-N 3.39Å; S110-D112 PolarHBondContact OG-OD2 2.91Å; S110-D113 PolarHBondContact N-OD2 3.44Å; S110-D113 VanDerWaalsContact N-OD2 3.08Å; S110-D113 WeakPolarHBondContact O-CB 3.48Å; S110-D113 PolarHBondContact O-N 2.94Å | ||
| 111 | Y | 76.2 | Confident | 74.5 | Confident | 42 Ų | 42 | 88.9 Ų | 88.9 | 17% | 0.165 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -65.3 | -19.2 | 165 | -70.8 | -65.9 | 0 | 0 | 0 | 112 | V40 P41 I45 A102 S103 D113 I114 | V40-Y111 HydrophobicContact CG1-CD1 4.41Å; V40-Y111 HydrophobicContact CG1-CE1 4Å; V40-Y111 HydrophobicContact CG2-CD2 4.29Å; V40-Y111 HydrophobicContact CG2-CE2 3.9Å; P41-Y111 HydrophobicContact CG-CD1 4.26Å; I45-Y111 HydrophobicContact CD1-CD1 4.46Å; I45-Y111 HydrophobicContact CD1-CE1 4.01Å; A102-Y111 HydrophobicContact CB-CD1 3.97Å; A102-Y111 HydrophobicContact CB-CD2 4.28Å; A102-Y111 HydrophobicContact CB-CE1 3.9Å; A102-Y111 HydrophobicContact CB-CE2 4.21Å; A102-Y111 HydrophobicContact CB-CG 4.17Å; S103-Y111 WeakPolarHBondContact CA-OH 3.26Å; S103-Y111 WeakPolarHBondContact CB-OH 3.35Å; S103-Y111 PolarHBondContact N-OH 3.49Å; Y111-D113 PolarHBondContact O-N 3.28Å; Y111-I114 HydrophobicContact CD1-CD1 3.94Å; Y111-I114 WeakPolarHBondContact O-CB 3.42Å; Y111-I114 PolarHBondContact O-N 3.2Å; Y111-I114 VanDerWaalsContact O-N 3.13Å |
| 112 | D | 73.3 | Confident | 73.9 | Confident | 103 Ų | 103 | 89.7 Ų | 89.7 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | G | 310 helix | trans | -60.2 | -21.6 | 173.2 | -57.4 | -30.7 | 0 | 0 | 0 | 112.4 | K35 S110 I114 | K35-D112 IonicContact NZ-OD2 2.65Å; K35-D112 PolarHBondContact NZ-OD2 3.28Å; K35-D112 VanDerWaalsContact NZ-OD2 3.12Å; S110-D112 PolarHBondContact O-N 3.41Å; S110-D112 WeakPolarHBondContact OG-CB 3.25Å; S110-D112 PolarHBondContact OG-N 3.39Å; S110-D112 PolarHBondContact OG-OD2 2.91Å; D112-I114 VanDerWaalsContact C-N 3.27Å; D112-I114 PolarHBondContact O-N 3.39Å |
| 113 | D | 74.3 | Confident | 73.2 | Confident | 92 Ų | 92 | 94.3 Ų | 94.3 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -83.1 | -3.5 | -180 | -57.5 | -48.7 | 0 | 0 | 0 | 113 | I98 S110 Y111 | I98-D113 HydrophobicContact CG2-CB 4.08Å; S110-D113 PolarHBondContact N-OD2 3.44Å; S110-D113 VanDerWaalsContact N-OD2 3.08Å; S110-D113 WeakPolarHBondContact O-CB 3.48Å; S110-D113 PolarHBondContact O-N 2.94Å; Y111-D113 PolarHBondContact O-N 3.28Å |
| 114 | I | 75.1 | Confident | 72.7 | Confident | 11 Ų | 11 | 95.8 Ų | 95.8 | 6% | 0.056 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -99.9 | 129.6 | 179 | -54.9 | 178.4 | 0 | 0 | 0 | 107.9 | P41 A44 I45 I98 A99 Y111 D112 D116 | P41-I114 HydrophobicContact CG-CB 4.05Å; P41-I114 HydrophobicContact CG-CD1 4.16Å; P41-I114 HydrophobicContact CG-CG2 4.19Å; A44-I114 HydrophobicContact CB-CG2 3.38Å; I45-I114 HydrophobicContact CG1-CD1 4.36Å; I98-I114 HydrophobicContact CG2-CG1 4.14Å; A99-I114 HydrophobicContact CB-CD1 3.67Å; Y111-I114 HydrophobicContact CD1-CD1 3.94Å; Y111-I114 WeakPolarHBondContact O-CB 3.42Å; Y111-I114 PolarHBondContact O-N 3.2Å; Y111-I114 VanDerWaalsContact O-N 3.13Å; D112-I114 VanDerWaalsContact C-N 3.27Å; D112-I114 PolarHBondContact O-N 3.39Å; I114-D116 PolarHBondContact O-N 3.14Å |
| 115 | P | 73.6 | Confident | 72.1 | Confident | 57 Ų | 57 | 94 Ų | 94 | 37% | 0.37 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 128 | 175.7 | -21.3 | 30.8 | 0 | 0 | 0 | 110.6 | A44 F117 | A44-P115 WeakPolarHBondContact CB-O 3.17Å; P115-F117 HydrophobicContact CB-CE2 3.85Å; P115-F117 HydrophobicContact CB-CZ 3.86Å; P115-F117 HydrophobicContact CG-CZ 4.48Å; P115-F117 VanDerWaalsContact O-CD2 3.31Å; P115-F117 WeakPolarHBondContact O-CD2 3.09Å; P115-F117 WeakPolarHBondContact O-CE2 3.19Å |
| 116 | D | 70.1 | Confident | 71.8 | Confident | 94 Ų | 94 | 96.4 Ų | 96.4 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 136.8 | 170.5 | -158.3 | -6.7 | 0 | 0 | 0 | 109 | I114 D118 | I114-D116 PolarHBondContact O-N 3.14Å; D116-D118 WeakPolarHBondContact OD1-CB 3.24Å; D116-D118 PolarHBondContact OD1-N 3.14Å |
| 117 | F | 68 | Low | 71.3 | Confident | 103 Ų | 103 | 94.2 Ų | 94.2 | 45% | 0.452 | 49% | 0.491 | S | S | . | . | trans | -120 | 30.5 | 179.9 | -62.5 | -83.7 | 0 | 0 | 0 | 110.3 | A44 L47 P115 | A44-F117 HydrophobicContact CB-CD2 3.71Å; A44-F117 HydrophobicContact CB-CE2 3.96Å; L47-F117 HydrophobicContact CD1-CD2 4.29Å; L47-F117 HydrophobicContact CD1-CE1 4.25Å; L47-F117 HydrophobicContact CD1-CE2 3.95Å; L47-F117 HydrophobicContact CD1-CZ 3.93Å; P115-F117 HydrophobicContact CB-CE2 3.85Å; P115-F117 HydrophobicContact CB-CZ 3.86Å; P115-F117 HydrophobicContact CG-CZ 4.48Å; P115-F117 VanDerWaalsContact O-CD2 3.31Å; P115-F117 WeakPolarHBondContact O-CD2 3.09Å; P115-F117 WeakPolarHBondContact O-CE2 3.19Å | ||
| 118 | D | 60.7 | Low | 71.3 | Confident | 58 Ų | 58 | 81.3 Ų | 81.3 | 31% | 0.31 | 45% | 0.454 | S | S | . | . | trans | -93.8 | 31.2 | -177.5 | -85.7 | -13.7 | 0 | 0 | 0 | 114.2 | K39 K43 D116 | K39-D118 IonicContact NZ-OD2 3.12Å; K39-D118 PolarHBondContact NZ-OD2 3.36Å; K43-D118 WeakPolarHBondContact CD-OD1 3.3Å; K43-D118 WeakPolarHBondContact CE-OD1 3.21Å; K43-D118 IonicContact NZ-OD1 2.65Å; K43-D118 PolarHBondContact NZ-OD1 3.45Å; D116-D118 WeakPolarHBondContact OD1-CB 3.24Å; D116-D118 PolarHBondContact OD1-N 3.14Å | ||
| 119 | D | 58.8 | Low | 70.9 | Confident | 234 Ų | 234 | 82 Ų | 82 | 100% | 1.251 | 43% | 0.426 | S | S | * | . | trans | -86.8 | 0 | 168.9 | -70.6 | -26.4 | 0 | 0 | 0 | 112.7 |
Retrieved 119 of 119 residues in 262.7 ms
(Link to these results)