| 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 | 42.4 | Very low | 44 | Very low | 248 Ų | 248 | 150.1 Ų | 150.1 | 100% | 1.222 | 85% | 0.853 | S | S | * | * | 0 | 124.9 | 0 | -81.3 | -172.3 | 134.8 | 0 | 0 | 108.1 | |||||
| 2 | A | 41.3 | Very low | 44.3 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 86% | 0.86 | 86% | 0.859 | S | S | * | * | trans | -75.9 | 145.4 | -154.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3 | L | 38.4 | Very low | 44.7 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | trans | -64.3 | 136.7 | 179.7 | -75.8 | 150 | 0 | 0 | 0 | 112.5 | S5 | L3-S5 PolarHBondContact O-N 3.26Š| ||
| 4 | I | 49.7 | Very low | 45.2 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 89% | 0.892 | 85% | 0.854 | S | S | * | * | trans | -70.6 | 105.1 | 165.1 | -63.7 | 164.6 | 0 | 0 | 0 | 107.7 | ||||
| 5 | S | 39.9 | Very low | 45.5 | Very low | 98 Ų | 98 | 151.9 Ų | 151.9 | 69% | 0.685 | 86% | 0.857 | S | S | * | * | trans | -143.4 | 94.7 | 158.6 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | L3 | L3-S5 PolarHBondContact O-N 3.26Š| ||
| 6 | R | 39.3 | Very low | 45.7 | Very low | 246 Ų | 246 | 149.6 Ų | 149.6 | 93% | 0.928 | 85% | 0.853 | S | S | * | * | trans | -105.5 | 78 | 159.7 | -64.2 | -170.1 | 105.8 | -165.2 | 5.6 | 106.6 | C8 | R6-C8 PolarHBondContact O-N 3.25Å; R6-C8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | S | 47.4 | Very low | 46.3 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 64% | 0.636 | 84% | 0.844 | S | S | * | * | trans | -57.7 | 112.7 | 160.5 | 49.9 | 0 | 0 | 0 | 0 | 107 | S9 | S7-S9 PolarHBondContact O-N 3.32Å; S7-S9 PolarHBondContact O-OG 2.78Å; S7-S9 PolarHBondContact OG-OG 3.11Å | ||
| 8 | C | 45.3 | Very low | 46.5 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 99% | 0.993 | 84% | 0.844 | S | S | * | * | trans | -68.8 | 79.9 | 167.3 | -162.9 | 0 | 0 | 0 | 0 | 107 | R6 | R6-C8 PolarHBondContact O-N 3.25Å; R6-C8 VanDerWaalsContact O-N 3.11Å | ||
| 9 | S | 46.8 | Very low | 46.8 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 66% | 0.657 | 83% | 0.83 | S | S | * | * | trans | -118.1 | 108.8 | 179.7 | 42.7 | 0 | 0 | 0 | 0 | 108.4 | S7 | S7-S9 PolarHBondContact O-N 3.32Å; S7-S9 PolarHBondContact O-OG 2.78Å; S7-S9 PolarHBondContact OG-OG 3.11Å | ||
| 10 | G | 46.8 | Very low | 47 | Very low | 67 Ų | 67 | 146.4 Ų | 146.4 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | 99.9 | 80.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 11 | F | 46.4 | Very low | 47.3 | Very low | 215 Ų | 215 | 147 Ų | 147 | 94% | 0.943 | 83% | 0.826 | S | S | * | * | trans | -146.3 | 41.9 | 157.4 | -116.4 | -81.5 | 0 | 0 | 0 | 112.6 | ||||
| 12 | L | 47.7 | Very low | 47.9 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -140.5 | 44.9 | 172.9 | -94.5 | 172.3 | 0 | 0 | 0 | 112 | ||
| 13 | A | 49.7 | Very low | 48.6 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -141.1 | 47.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 14 | Q | 52 | Low | 49.5 | Very low | 185 Ų | 185 | 142.3 Ų | 142.3 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -159.6 | 66.7 | 166.2 | -138.1 | 155.7 | -28.3 | 0 | 0 | 114.2 | ||||
| 15 | L | 48.9 | Very low | 50 | Low | 171 Ų | 171 | 136.6 Ų | 136.6 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | -133.8 | 22.4 | 167 | -81.1 | 171.7 | 0 | 0 | 0 | 113.3 | ||||
| 16 | S | 49.8 | Very low | 51.2 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -98.1 | 20.3 | -173.3 | 52.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 17 | S | 54.6 | Low | 52.4 | Low | 100 Ų | 100 | 130.7 Ų | 130.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -118.6 | 4.7 | -177.4 | 73.3 | 0 | 0 | 0 | 0 | 117.6 | ||
| 18 | L | 51 | Low | 53.4 | Low | 161 Ų | 161 | 132.7 Ų | 132.7 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -110.3 | 17.7 | -177.5 | -67.6 | 179.1 | 0 | 0 | 0 | 115.8 | ||
| 19 | T | 51.8 | Low | 54.4 | Low | 95 Ų | 95 | 127.8 Ų | 127.8 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | trans | -110 | 86.7 | 166.8 | 54 | 0 | 0 | 0 | 0 | 108.6 | H21 | T19-H21 VanDerWaalsContact CB-CD2 3.48Å; T19-H21 WeakPolarHBondContact CB-CD2 3.49Å; T19-H21 PolarHBondContact O-N 3.02Å; T19-H21 PolarHBondContact OG1-CD2 3.29Å | ||
| 20 | H | 50.9 | Low | 55.9 | Low | 179 Ų | 179 | 125.2 Ų | 125.2 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | trans | -61.4 | 78.6 | 151.8 | -83.6 | 7.1 | 0 | 0 | 0 | 107.5 | K22 | H20-K22 PolarHBondContact O-N 2.83Š| ||
| 21 | H | 52.8 | Low | 57.7 | Low | 160 Ų | 160 | 124.2 Ų | 124.2 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -61.4 | 91.9 | 165.2 | -81.8 | -76 | 0 | 0 | 0 | 106.1 | T19 A23 | T19-H21 VanDerWaalsContact CB-CD2 3.48Å; T19-H21 WeakPolarHBondContact CB-CD2 3.49Å; T19-H21 PolarHBondContact O-N 3.02Å; T19-H21 PolarHBondContact OG1-CD2 3.29Å; H21-A23 PolarHBondContact O-N 3.13Å; H21-A23 VanDerWaalsContact O-N 3.11Å | ||
| 22 | K | 55.3 | Low | 59.8 | Low | 140 Ų | 140 | 115.1 Ų | 115.1 | 61% | 0.609 | 67% | 0.67 | S | S | * | * | trans | -55.8 | 120.6 | 164.3 | -64.4 | -115.4 | -179.3 | -179 | 0 | 104.8 | H20 F24 | H20-K22 PolarHBondContact O-N 2.83Å; K22-F24 HydrophobicContact CB-CE2 4.35Å; K22-F24 VanDerWaalsContact O-CD2 3.29Å; K22-F24 WeakPolarHBondContact O-CD2 3.25Å; K22-F24 PolarHBondContact O-N 3.26Å | ||
| 23 | A | 57 | Low | 62.1 | Low | 101 Ų | 101 | 106.8 Ų | 106.8 | 84% | 0.835 | 63% | 0.626 | S | S | * | * | trans | -62.7 | 91.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | H21 S25 | H21-A23 PolarHBondContact O-N 3.13Å; H21-A23 VanDerWaalsContact O-N 3.11Å; A23-S25 PolarHBondContact O-N 3.06Å; A23-S25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | F | 56.9 | Low | 64.3 | Low | 179 Ų | 179 | 106.7 Ų | 106.7 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | trans | -64 | 115 | 171 | -73.9 | -79.2 | 0 | 0 | 0 | 106.2 | K22 V26 | K22-F24 HydrophobicContact CB-CE2 4.35Å; K22-F24 VanDerWaalsContact O-CD2 3.29Å; K22-F24 WeakPolarHBondContact O-CD2 3.25Å; K22-F24 PolarHBondContact O-N 3.26Å; F24-V26 PolarHBondContact O-N 3.24Å | ||
| 25 | S | 59.8 | Low | 66.4 | Low | 54 Ų | 54 | 104.2 Ų | 104.2 | 38% | 0.378 | 60% | 0.596 | S | S | . | * | trans | -73.7 | 100 | 174.6 | 174.9 | 0 | 0 | 0 | 0 | 107.9 | A23 S27 R38 | A23-S25 PolarHBondContact O-N 3.06Å; A23-S25 VanDerWaalsContact O-N 3.12Å; S25-S27 PolarHBondContact O-N 3.19Å; S25-S27 PolarHBondContact OG-OG 3.25Å; S25-R38 PolarHBondContact O-NH1 3.13Å; S25-R38 PolarHBondContact OG-NH1 3.25Å; S25-R38 PolarHBondContact OG-NH2 3.27Å | ||
| 26 | V | 64.4 | Low | 68.5 | Low | 146 Ų | 146 | 102.1 Ų | 102.1 | 89% | 0.885 | 58% | 0.583 | S | S | * | * | trans | -71.1 | -9 | -178.5 | -68.3 | 0 | 0 | 0 | 0 | 114.3 | F24 | F24-V26 PolarHBondContact O-N 3.24Š| ||
| 27 | S | 64.7 | Low | 70.7 | Confident | 73 Ų | 73 | 96.9 Ų | 96.9 | 51% | 0.51 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -70.6 | 144.7 | 176.9 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | S25 A29 R38 | S25-S27 PolarHBondContact O-N 3.19Å; S25-S27 PolarHBondContact OG-OG 3.25Å; S27-A29 PolarHBondContact O-N 2.91Å; S27-R38 PolarHBondContact O-NH2 3.41Å; S27-R38 PolarHBondContact OG-NH2 3.33Å |
| 28 | T | 68.3 | Low | 72.6 | Confident | 133 Ų | 133 | 94.5 Ų | 94.5 | 82% | 0.816 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 130.1 | 170.5 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | A30 | T28-A30 PolarHBondContact O-N 2.96Š|
| 29 | A | 67 | Low | 74.7 | Confident | 45 Ų | 45 | 87.4 Ų | 87.4 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 132.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | S27 A31 | S27-A29 PolarHBondContact O-N 2.91Å; A29-A31 PolarHBondContact O-N 3.33Å |
| 30 | A | 79.3 | Confident | 76.8 | Confident | 40 Ų | 40 | 89.2 Ų | 89.2 | 33% | 0.331 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 136.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | T28 T37 N104 | T28-A30 PolarHBondContact O-N 2.96Å; A30-T37 HydrophobicContact CB-CG2 4.19Å; A30-N104 PolarHBondContact O-ND2 2.61Å |
| 31 | A | 83.5 | Confident | 79 | Confident | 45 Ų | 45 | 81.7 Ų | 81.7 | 37% | 0.372 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -68.7 | -40.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A29 M92 | A29-A31 PolarHBondContact O-N 3.33Å; A31-M92 HydrophobicContact CB-CB 4.45Å; A31-M92 WeakPolarHBondContact O-CB 3.31Å; A31-M92 PolarHBondContact O-N 2.91Å |
| 32 | A | 91.1 | Very high | 81.1 | Confident | 25 Ų | 25 | 74.2 Ų | 74.2 | 21% | 0.207 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -87.2 | 145.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q34 V67 M92 | A32-Q34 PolarHBondContact O-N 3.42Å; A32-V67 HydrophobicContact CB-CG1 4.06Å; A32-M92 HydrophobicContact CB-SD 4Å |
| 33 | I | 95.5 | Very high | 83 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -88 | 107.9 | 177.4 | -63.7 | 173.4 | 0 | 0 | 0 | 108.8 | V58 G68 V74 I87 H90 N104 | I33-V58 HydrophobicContact CG2-CG2 3.96Å; I33-G68 PolarHBondContact O-N 3.23Å; I33-V74 HydrophobicContact CG2-CG1 4.4Å; I33-I87 HydrophobicContact CB-CD1 3.94Å; I33-I87 HydrophobicContact CD1-CB 4.33Å; I33-I87 HydrophobicContact CD1-CD1 3.85Å; I33-I87 HydrophobicContact CD1-CG1 3.92Å; I33-I87 HydrophobicContact CD1-CG2 3.48Å; I33-I87 VanDerWaalsContact CD1-CG2 3.48Å; I33-I87 HydrophobicContact CG2-CD1 3.7Å; I33-I87 HydrophobicContact CG2-CG1 4.35Å; I33-H90 HydrophobicContact CD1-CB 3.89Å; I33-H90 HydrophobicContact CG1-CB 4.23Å; I33-N104 HydrophobicContact CD1-CB 4.11Å; I33-N104 HydrophobicContact CG1-CB 4.17Å |
| 34 | Q | 96.1 | Very high | 84.8 | Confident | 93 Ų | 93 | 66 Ų | 66 | 44% | 0.435 | 36% | 0.362 | S | S | . | . | trans | -135.8 | -177.3 | 177 | 63.1 | -177.7 | 16.8 | 0 | 0 | 110.7 | A32 M36 T37 | A32-Q34 PolarHBondContact O-N 3.42Å; Q34-M36 PolarHBondContact O-N 3.34Å; Q34-T37 WeakPolarHBondContact CG-OG1 3.49Å; Q34-T37 PolarHBondContact N-OG1 3.21Å; Q34-T37 WeakPolarHBondContact O-CB 3.33Å; Q34-T37 PolarHBondContact O-N 2.91Å; Q34-T37 VanDerWaalsContact O-N 3.14Å; Q34-T37 PolarHBondContact O-OG1 3.14Å | ||
| 35 | K | 95.9 | Very high | 86.6 | Confident | 134 Ų | 134 | 57.5 Ų | 57.5 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 143.1 | 174.8 | -60.8 | -175.4 | -179.9 | 172.5 | 0 | 111.3 | T37 I59 | K35-T37 PolarHBondContact O-N 3.41Å; K35-T37 VanDerWaalsContact O-N 3.14Å; K35-I59 WeakPolarHBondContact CG-O 3.48Å |
| 36 | M | 94.2 | Very high | 88.2 | Confident | 126 Ų | 126 | 59.5 Ų | 59.5 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 1.9 | -177.7 | -62.1 | -65 | -76.8 | 0 | 0 | 116.5 | Q34 R57 V58 | Q34-M36 PolarHBondContact O-N 3.34Å; M36-R57 PolarHBondContact O-NH1 2.77Å; M36-V58 PolarHBondContact N-O 3.41Å |
| 37 | T | 95.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | trans | -68.6 | 133.5 | 177.5 | -53 | 0 | 0 | 0 | 0 | 110.8 | A30 Q34 K35 R57 V58 | A30-T37 HydrophobicContact CB-CG2 4.19Å; Q34-T37 WeakPolarHBondContact CG-OG1 3.49Å; Q34-T37 PolarHBondContact N-OG1 3.21Å; Q34-T37 WeakPolarHBondContact O-CB 3.33Å; Q34-T37 PolarHBondContact O-N 2.91Å; Q34-T37 VanDerWaalsContact O-N 3.14Å; Q34-T37 PolarHBondContact O-OG1 3.14Å; K35-T37 PolarHBondContact O-N 3.41Å; K35-T37 VanDerWaalsContact O-N 3.14Å; T37-R57 WeakPolarHBondContact O-CA 3.37Å; T37-V58 PolarHBondContact O-N 2.57Å | ||
| 38 | R | 94.2 | Very high | 90.7 | Very high | 49 Ų | 49 | 53.2 Ų | 53.2 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 134.5 | 171.8 | -70.5 | 179.1 | -71.3 | 152.4 | -5.1 | 109.6 | S25 S27 P56 R57 | S25-R38 PolarHBondContact O-NH1 3.13Å; S25-R38 PolarHBondContact OG-NH1 3.25Å; S25-R38 PolarHBondContact OG-NH2 3.27Å; S27-R38 PolarHBondContact O-NH2 3.41Å; S27-R38 PolarHBondContact OG-NH2 3.33Å; R38-P56 WeakPolarHBondContact CA-O 3.45Å; R38-R57 HydrophobicContact CG-CG 4.21Å |
| 39 | V | 95.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.073 | 28% | 0.284 | C | S | . | . | trans | -130.8 | 154 | 179.8 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | P56 V58 L76 N104 V106 | V39-P56 HydrophobicContact CG2-CB 4.35Å; V39-P56 PolarHBondContact N-O 2.86Å; V39-V58 HydrophobicContact CG1-CG2 3.88Å; V39-L76 HydrophobicContact CG2-CD1 3.27Å; V39-L76 HydrophobicContact CG2-CD2 4.26Å; V39-L76 HydrophobicContact CG2-CG 4.42Å; V39-N104 HydrophobicContact CG1-CB 4.15Å; V39-V106 HydrophobicContact CB-CG1 3.98Å; V39-V106 HydrophobicContact CB-CG2 4.01Å; V39-V106 HydrophobicContact CG1-CG1 4.1Å; V39-V106 HydrophobicContact CG2-CG1 4.16Å; V39-V106 HydrophobicContact CG2-CG2 3.62Å | ||
| 40 | R | 95.5 | Very high | 93 | Very high | 134 Ų | 134 | 52 Ų | 52 | 51% | 0.506 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.8 | 173.6 | -175.9 | -176 | 176.6 | -167.5 | 0.6 | 108.4 | V42 N104 V106 | R40-V42 HydrophobicContact CG-CG2 4.33Å; R40-V42 VanDerWaalsContact O-CG2 3.26Å; R40-V42 WeakPolarHBondContact O-CG2 3.18Å; R40-N104 PolarHBondContact N-O 3.16Å; R40-V106 PolarHBondContact O-N 3.43Å |
| 41 | V | 96.7 | Very high | 93.6 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 129.7 | 169.8 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | D43 P56 L76 I78 V106 L108 | V41-D43 WeakPolarHBondContact CG1-OD1 3.19Å; V41-P56 HydrophobicContact CG2-CB 4.43Å; V41-P56 HydrophobicContact CG2-CG 4.21Å; V41-L76 HydrophobicContact CG2-CD2 3.87Å; V41-I78 HydrophobicContact CG2-CD1 3.89Å; V41-V106 WeakPolarHBondContact CA-O 3.35Å; V41-V106 HydrophobicContact CG2-CG2 4Å; V41-L108 HydrophobicContact CG1-CD1 4.14Å; V41-L108 HydrophobicContact CG1-CD2 4.36Å; V41-L108 HydrophobicContact CG1-CG 3.84Å; V41-L108 HydrophobicContact CG2-CD2 4.25Å |
| 42 | V | 96.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | trans | -119.3 | 9.8 | -169.3 | -146.8 | 0 | 0 | 0 | 0 | 114.6 | R40 N105 V106 K121 V122 | R40-V42 HydrophobicContact CG-CG2 4.33Å; R40-V42 VanDerWaalsContact O-CG2 3.26Å; R40-V42 WeakPolarHBondContact O-CG2 3.18Å; V42-N105 HydrophobicContact CG2-CB 3.67Å; V42-V106 PolarHBondContact N-O 3.21Å; V42-K121 HydrophobicContact CG1-CB 4.14Å; V42-K121 PolarHBondContact O-N 3.01Å; V42-V122 HydrophobicContact CB-CG2 3.76Å; V42-V122 HydrophobicContact CG1-CB 3.72Å; V42-V122 HydrophobicContact CG1-CG1 3.29Å; V42-V122 HydrophobicContact CG1-CG2 3.25Å; V42-V122 HydrophobicContact CG2-CG2 4.1Å | ||
| 43 | D | 95.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 171.3 | 168.7 | 60 | 35.1 | 0 | 0 | 0 | 112 | V41 S45 V107 L108 | V41-D43 WeakPolarHBondContact CG1-OD1 3.19Å; D43-S45 VanDerWaalsContact C-N 3.31Å; D43-S45 VanDerWaalsContact OD1-CB 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.47Å; D43-S45 PolarHBondContact OD1-N 3.17Å; D43-S45 VanDerWaalsContact OD1-N 3.16Å; D43-S45 PolarHBondContact OD1-OG 2.99Å; D43-V107 HydrophobicContact CB-CG1 4.44Å; D43-L108 VanDerWaalsContact OD2-CB 3.23Å; D43-L108 WeakPolarHBondContact OD2-CB 3.36Å; D43-L108 VanDerWaalsContact OD2-CG 3.31Å; D43-L108 WeakPolarHBondContact OD2-CG 3.46Å; D43-L108 PolarHBondContact OD2-N 3.49Å |
| 44 | N | 94.9 | Very high | 93.9 | Very high | 65 Ų | 65 | 73.4 Ų | 73.4 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | trans | -92.6 | 17.1 | 171.1 | 72.1 | -33.8 | 0 | 0 | 0 | 112.8 | T118 R119 | N44-T118 PolarHBondContact OD1-N 2.98Å; N44-R119 PolarHBondContact N-O 3.41Å; N44-R119 VanDerWaalsContact N-O 3.1Å; N44-R119 PolarHBondContact OD1-N 2.64Å; N44-R119 PolarHBondContact OD1-O 3.06Å | ||
| 45 | S | 94.7 | Very high | 93.7 | Very high | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | trans | -63.4 | 148.5 | -179.6 | 72 | 0 | 0 | 0 | 0 | 110.6 | D43 L47 G48 S49 | D43-S45 VanDerWaalsContact C-N 3.31Å; D43-S45 VanDerWaalsContact OD1-CB 3.28Å; D43-S45 WeakPolarHBondContact OD1-CB 3.47Å; D43-S45 PolarHBondContact OD1-N 3.17Å; D43-S45 VanDerWaalsContact OD1-N 3.16Å; D43-S45 PolarHBondContact OD1-OG 2.99Å; S45-L47 PolarHBondContact O-N 3.34Å; S45-G48 PolarHBondContact O-N 2.9Å; S45-G48 PolarHBondContact OG-N 2.96Å; S45-G48 VanDerWaalsContact OG-N 3.1Å; S45-S49 WeakPolarHBondContact O-CB 3.49Å; S45-S49 PolarHBondContact O-N 2.98Å | ||
| 46 | P | 93.1 | Very high | 93.7 | Very high | 95 Ų | 95 | 67 Ų | 67 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.3 | -31 | 175.7 | 25 | -33.7 | 0 | 0 | 0 | 111.1 | T50 K79 | P46-T50 PolarHBondContact O-N 3.46Å; P46-T50 PolarHBondContact O-OG1 2.9Å; P46-K79 PolarHBondContact O-NZ 3.31Å |
| 47 | L | 93.7 | Very high | 93.8 | Very high | 61 Ų | 61 | 65.5 Ų | 65.5 | 32% | 0.319 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.3 | -66.3 | 178.6 | 0 | 0 | 0 | 112.3 | S45 I78 K79 L108 | S45-L47 PolarHBondContact O-N 3.34Å; L47-I78 WeakPolarHBondContact O-CD1 3.39Å; L47-K79 HydrophobicContact CD2-CD 4.33Å; L47-K79 WeakPolarHBondContact O-CE 3.45Å; L47-K79 PolarHBondContact O-NZ 3.41Å; L47-L108 HydrophobicContact CB-CD1 3.8Å; L47-L108 HydrophobicContact CD1-CD1 4.32Å |
| 48 | G | 89.7 | Confident | 93.9 | Very high | 27 Ų | 27 | 65.2 Ų | 65.2 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -76.5 | -31.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S45 | S45-G48 PolarHBondContact O-N 2.9Å; S45-G48 PolarHBondContact OG-N 2.96Å; S45-G48 VanDerWaalsContact OG-N 3.1Å |
| 49 | S | 90.5 | Very high | 94 | Very high | 73 Ų | 73 | 67 Ų | 67 | 51% | 0.51 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -86.6 | -31.4 | -171.4 | -162.7 | 0 | 0 | 0 | 0 | 114.8 | S45 | S45-S49 WeakPolarHBondContact O-CB 3.49Å; S45-S49 PolarHBondContact O-N 2.98Å |
| 50 | T | 91.5 | Very high | 94.1 | Very high | 78 Ų | 78 | 70.1 Ų | 70.1 | 48% | 0.479 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -75.4 | 134.4 | -179 | -34.5 | 0 | 0 | 0 | 0 | 110.5 | P46 K79 | P46-T50 PolarHBondContact O-N 3.46Å; P46-T50 PolarHBondContact O-OG1 2.9Å; T50-K79 VanDerWaalsContact CB-CE 3.44Å; T50-K79 WeakPolarHBondContact O-CE 3.21Å; T50-K79 PolarHBondContact OG1-NZ 3.01Å |
| 51 | P | 91.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 64 Ų | 64 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | trans | -57.9 | 145.5 | 173.9 | -23.9 | 33.9 | 0 | 0 | 0 | 112.7 | ||||
| 52 | W | 93.8 | Very high | 94.2 | Very high | 138 Ų | 138 | 68 Ų | 68 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | trans | -140.6 | 153.2 | 173 | -167.3 | -114 | 0 | 0 | 0 | 110.4 | R54 K79 | W52-R54 PolarHBondContact O-N 2.99Å; W52-K79 HydrophobicContact CB-CG 4.12Å; W52-K79 HydrophobicContact CD2-CB 4.42Å; W52-K79 HydrophobicContact CD2-CG 4.27Å; W52-K79 HydrophobicContact CE3-CG 4.49Å; W52-K79 HydrophobicContact CG-CG 4.11Å | ||
| 53 | H | 91.8 | Very high | 94.2 | Very high | 140 Ų | 140 | 69.6 Ų | 69.6 | 65% | 0.648 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -66.8 | -19.9 | -176.9 | 70.7 | 91.7 | 0 | 0 | 0 | 113.4 | ||
| 54 | R | 90.6 | Very high | 94.3 | Very high | 185 Ų | 185 | 79.8 Ų | 79.8 | 70% | 0.698 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -119.8 | 134 | 174.9 | -78.4 | 171.2 | -173 | -175.2 | 4.1 | 110.6 | W52 | W52-R54 PolarHBondContact O-N 2.99Š|
| 55 | S | 92.2 | Very high | 94.2 | Very high | 64 Ų | 64 | 83.8 Ų | 83.8 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | trans | -65.4 | 150.5 | 173.1 | -49.4 | 0 | 0 | 0 | 0 | 111.6 | R57 | S55-R57 PolarHBondContact O-N 3.2Š| ||
| 56 | P | 96 | Very high | 94.2 | Very high | 29 Ų | 29 | 85.2 Ų | 85.2 | 19% | 0.188 | 44% | 0.44 | C | S | . | . | trans | -61.6 | 135.9 | 175.4 | -19.1 | 31.3 | 0 | 0 | 0 | 111.8 | R38 V39 V41 L76 A77 I78 | R38-P56 WeakPolarHBondContact CA-O 3.45Å; V39-P56 HydrophobicContact CG2-CB 4.35Å; V39-P56 PolarHBondContact N-O 2.86Å; V41-P56 HydrophobicContact CG2-CB 4.43Å; V41-P56 HydrophobicContact CG2-CG 4.21Å; P56-L76 HydrophobicContact CB-CD1 4.11Å; P56-L76 HydrophobicContact CB-CD2 3.82Å; P56-L76 HydrophobicContact CB-CG 4.08Å; P56-A77 VanDerWaalsContact CA-O 3.31Å; P56-A77 WeakPolarHBondContact CA-O 3.25Å; P56-I78 HydrophobicContact CB-CB 4.46Å; P56-I78 HydrophobicContact CB-CD1 4.37Å; P56-I78 HydrophobicContact CB-CG1 4.44Å; P56-I78 HydrophobicContact CG-CD1 3.95Å; P56-I78 HydrophobicContact CG-CG1 4.16Å | ||
| 57 | R | 96.1 | Very high | 94.3 | Very high | 95 Ų | 95 | 83.3 Ų | 83.3 | 36% | 0.358 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143 | -178.9 | -70.5 | -178.4 | -176.4 | -111 | 10.3 | 112 | M36 T37 R38 S55 L76 A77 | M36-R57 PolarHBondContact O-NH1 2.77Å; T37-R57 WeakPolarHBondContact O-CA 3.37Å; R38-R57 HydrophobicContact CG-CG 4.21Å; S55-R57 PolarHBondContact O-N 3.2Å; R57-L76 VanDerWaalsContact C-CD1 3.47Å; R57-L76 WeakPolarHBondContact O-CD1 3.48Å; R57-A77 PolarHBondContact N-O 3Å; R57-A77 PolarHBondContact O-N 3.45Å |
| 58 | V | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 128.2 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 110 | I33 M36 T37 V39 V61 V74 L76 | I33-V58 HydrophobicContact CG2-CG2 3.96Å; M36-V58 PolarHBondContact N-O 3.41Å; T37-V58 PolarHBondContact O-N 2.57Å; V39-V58 HydrophobicContact CG1-CG2 3.88Å; V58-V61 HydrophobicContact CG1-CG2 3.88Å; V58-V74 HydrophobicContact CG1-CB 4.11Å; V58-V74 HydrophobicContact CG1-CG1 4.31Å; V58-V74 HydrophobicContact CG2-CG2 4.42Å; V58-L76 HydrophobicContact CG2-CD1 4.13Å |
| 59 | I | 97.3 | Very high | 94.7 | Very high | 87 Ų | 87 | 84.9 Ų | 84.9 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -40.8 | 176.2 | -61.9 | 164.6 | 0 | 0 | 0 | 110.4 | K35 L75 A77 | K35-I59 WeakPolarHBondContact CG-O 3.48Å; I59-L75 PolarHBondContact N-O 2.88Å; I59-A77 HydrophobicContact CD1-CB 3.4Å; I59-A77 VanDerWaalsContact CD1-CB 3.4Å; I59-A77 HydrophobicContact CG1-CB 3.86Å |
| 60 | H | 97.6 | Very high | 94.9 | Very high | 77 Ų | 77 | 82.7 Ų | 82.7 | 36% | 0.356 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.3 | -176.4 | -176.4 | 72 | 0 | 0 | 0 | 110.5 | Y62 V74 L75 | H60-Y62 AromaticContact CD2-CD1 3.7Å; H60-Y62 AromaticContact CD2-CE1 3.68Å; H60-Y62 AromaticContact CD2-CZ 3.98Å; H60-Y62 AromaticContact NE2-CD1 3.71Å; H60-Y62 AromaticContact NE2-CE1 3.98Å; H60-V74 CarbonylContact O-C 3.56Å; H60-V74 WeakPolarHBondContact O-CA 3.41Å; H60-L75 HydrophobicContact CB-CB 3.92Å; H60-L75 HydrophobicContact CB-CD2 4.44Å; H60-L75 PolarHBondContact N-O 2.88Å; H60-L75 PolarHBondContact O-N 2.82Å |
| 61 | V | 98 | Very high | 95.1 | Very high | 5 Ų | 5 | 79.3 Ų | 79.3 | 3% | 0.03 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.9 | 172.8 | -175.5 | 0 | 0 | 0 | 0 | 106.4 | V58 T63 V74 | V58-V61 HydrophobicContact CG1-CG2 3.88Å; V61-T63 HydrophobicContact CG1-CG2 3.99Å; V61-T63 VanDerWaalsContact CG1-OG1 3.24Å; V61-T63 WeakPolarHBondContact CG1-OG1 3.24Å; V61-T63 PolarHBondContact O-N 3.21Å; V61-V74 HydrophobicContact CB-CG1 4.37Å; V61-V74 HydrophobicContact CG1-CG1 4.11Å; V61-V74 HydrophobicContact CG2-CG1 4.1Å |
| 62 | Y | 96.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 76.8 Ų | 76.8 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -80.6 | 47 | -179.1 | -66.8 | -80.5 | 0 | 0 | 0 | 111.4 | H60 R73 L75 K84 | H60-Y62 AromaticContact CD2-CD1 3.7Å; H60-Y62 AromaticContact CD2-CE1 3.68Å; H60-Y62 AromaticContact CD2-CZ 3.98Å; H60-Y62 AromaticContact NE2-CD1 3.71Å; H60-Y62 AromaticContact NE2-CE1 3.98Å; Y62-R73 HydrophobicContact CD2-CB 3.66Å; Y62-R73 WeakPolarHBondContact CD2-O 3.49Å; Y62-R73 HydrophobicContact CE2-CB 4.45Å; Y62-R73 HydrophobicContact CG-CB 4.28Å; Y62-R73 PolarHBondContact N-O 2.8Å; Y62-R73 VanDerWaalsContact N-O 3.1Å; Y62-L75 HydrophobicContact CE2-CB 4.31Å; Y62-K84 HydrophobicContact CE2-CG 4.46Å; Y62-K84 WeakPolarHBondContact OH-CE 3.42Å |
| 63 | T | 96.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 74.9 Ų | 74.9 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -129.6 | 145.4 | 176.3 | 62.1 | 0 | 0 | 0 | 0 | 109.6 | V61 N65 G66 V67 D72 | V61-T63 HydrophobicContact CG1-CG2 3.99Å; V61-T63 VanDerWaalsContact CG1-OG1 3.24Å; V61-T63 WeakPolarHBondContact CG1-OG1 3.24Å; V61-T63 PolarHBondContact O-N 3.21Å; T63-N65 VanDerWaalsContact C-N 3.26Å; T63-N65 PolarHBondContact O-N 3.36Å; T63-G66 PolarHBondContact O-N 2.93Å; T63-G66 PolarHBondContact OG1-N 2.71Å; T63-V67 PolarHBondContact OG1-N 3.48Å; T63-V67 PolarHBondContact OG1-O 3.1Å; T63-D72 HydrophobicContact CG2-CB 4.14Å; T63-D72 WeakPolarHBondContact CG2-OD2 3.26Å |
| 64 | K | 95.9 | Very high | 95.6 | Very high | 217 Ų | 217 | 68.2 Ų | 68.2 | 94% | 0.943 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -33.8 | 178.8 | -65.2 | -176.7 | -179.6 | 179.6 | 0 | 112.2 | G66 | K64-G66 VanDerWaalsContact C-N 3.29Å; K64-G66 PolarHBondContact O-N 2.7Å |
| 65 | N | 93.3 | Very high | 96 | Very high | 149 Ų | 149 | 61 Ų | 61 | 80% | 0.797 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.7 | -177.7 | -58.9 | -17 | 0 | 0 | 0 | 113.2 | T63 V67 | T63-N65 VanDerWaalsContact C-N 3.26Å; T63-N65 PolarHBondContact O-N 3.36Å; N65-V67 PolarHBondContact O-N 3.01Å |
| 66 | G | 94.4 | Very high | 96.3 | Very high | 32 Ų | 32 | 57.9 Ų | 57.9 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 72.8 | 4.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | T63 K64 | T63-G66 PolarHBondContact O-N 2.93Å; T63-G66 PolarHBondContact OG1-N 2.71Å; K64-G66 VanDerWaalsContact C-N 3.29Å; K64-G66 PolarHBondContact O-N 2.7Å |
| 67 | V | 95.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 58.2 Ų | 58.2 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | trans | -113.3 | 127.9 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | A32 T63 N65 | A32-V67 HydrophobicContact CB-CG1 4.06Å; T63-V67 PolarHBondContact OG1-N 3.48Å; T63-V67 PolarHBondContact OG1-O 3.1Å; N65-V67 PolarHBondContact O-N 3.01Å | ||
| 68 | G | 96.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 130.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | I33 | I33-G68 PolarHBondContact O-N 3.23Å |
| 69 | K | 95.6 | Very high | 96.2 | Very high | 118 Ų | 118 | 57 Ų | 57 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | trans | -104.7 | 174.9 | 172 | -64.2 | -176.7 | 177.1 | -176.3 | 0 | 110.2 | G71 D72 I87 | K69-G71 PolarHBondContact O-N 3.28Å; K69-D72 PolarHBondContact N-OD2 3.22Å; K69-D72 WeakPolarHBondContact O-CB 3.19Å; K69-D72 PolarHBondContact O-N 3.45Å; K69-I87 VanDerWaalsContact O-CB 3.31Å; K69-I87 WeakPolarHBondContact O-CB 3.26Å; K69-I87 WeakPolarHBondContact O-CD1 3.38Å; K69-I87 WeakPolarHBondContact O-CG2 3.08Å | ||
| 70 | V | 95.3 | Very high | 95.9 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 134.6 | 172.2 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | I87 V88 H90 P125 H127 L128 | V70-I87 HydrophobicContact CG2-CG2 4.5Å; V70-V88 WeakPolarHBondContact CG1-O 3.34Å; V70-H90 VanDerWaalsContact CG2-CD2 3.49Å; V70-H90 WeakPolarHBondContact CG2-CD2 3.29Å; V70-P125 HydrophobicContact CG1-CG 3.7Å; V70-H127 WeakPolarHBondContact CG1-NE2 3.5Å; V70-L128 HydrophobicContact CG1-CD1 3.98Å; V70-L128 HydrophobicContact CG1-CD2 3.68Å; V70-L128 HydrophobicContact CG1-CG 3.83Å |
| 71 | G | 94.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | -12.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K69 L86 I87 | K69-G71 PolarHBondContact O-N 3.28Å; G71-L86 VanDerWaalsContact O-CD1 3.25Å; G71-L86 WeakPolarHBondContact O-CD1 3.44Å; G71-I87 PolarHBondContact N-O 2.86Å |
| 72 | D | 95.6 | Very high | 95.8 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | trans | -80.6 | 148 | 178 | -67 | -30.9 | 0 | 0 | 0 | 112.3 | T63 K69 I87 | T63-D72 HydrophobicContact CG2-CB 4.14Å; T63-D72 WeakPolarHBondContact CG2-OD2 3.26Å; K69-D72 PolarHBondContact N-OD2 3.22Å; K69-D72 WeakPolarHBondContact O-CB 3.19Å; K69-D72 PolarHBondContact O-N 3.45Å; D72-I87 HydrophobicContact CB-CD1 4.29Å; D72-I87 PolarHBondContact O-N 2.87Å | ||
| 73 | R | 96.3 | Very high | 95.8 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 37% | 0.366 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 142.2 | 172.9 | -59.2 | 176.3 | -165.8 | -170.7 | -3.3 | 110 | Y62 A85 I109 D134 Y135 | Y62-R73 HydrophobicContact CD2-CB 3.66Å; Y62-R73 WeakPolarHBondContact CD2-O 3.49Å; Y62-R73 HydrophobicContact CE2-CB 4.45Å; Y62-R73 HydrophobicContact CG-CB 4.28Å; Y62-R73 PolarHBondContact N-O 2.8Å; Y62-R73 VanDerWaalsContact N-O 3.1Å; R73-A85 WeakPolarHBondContact CA-O 3.15Å; R73-I109 HydrophobicContact CG-CD1 4.31Å; R73-D134 IonicContact NH2-OD2 3.86Å; R73-Y135 WeakPolarHBondContact CD-OH 3.38Å; R73-Y135 WeakPolarHBondContact CG-OH 3.19Å; R73-Y135 PolarHBondContact NE-OH 2.74Å |
| 74 | V | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 152.4 | 172.5 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | I33 V58 H60 V61 K84 A85 I87 | I33-V74 HydrophobicContact CG2-CG1 4.4Å; V58-V74 HydrophobicContact CG1-CB 4.11Å; V58-V74 HydrophobicContact CG1-CG1 4.31Å; V58-V74 HydrophobicContact CG2-CG2 4.42Å; H60-V74 CarbonylContact O-C 3.56Å; H60-V74 WeakPolarHBondContact O-CA 3.41Å; V61-V74 HydrophobicContact CB-CG1 4.37Å; V61-V74 HydrophobicContact CG1-CG1 4.11Å; V61-V74 HydrophobicContact CG2-CG1 4.1Å; V74-K84 CarbonylContact O-C 3.54Å; V74-K84 WeakPolarHBondContact O-CA 3.49Å; V74-A85 HydrophobicContact CG2-CB 3.96Å; V74-A85 PolarHBondContact N-O 3.23Å; V74-A85 PolarHBondContact O-N 3.48Å; V74-I87 HydrophobicContact CG1-CD1 3.61Å; V74-I87 HydrophobicContact CG1-CG1 3.89Å; V74-I87 HydrophobicContact CG2-CG1 4.23Å |
| 75 | L | 98.1 | Very high | 96 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124 | 169.7 | -171 | 66.2 | 0 | 0 | 0 | 109.3 | I59 H60 Y62 K82 K84 | I59-L75 PolarHBondContact N-O 2.88Å; H60-L75 HydrophobicContact CB-CB 3.92Å; H60-L75 HydrophobicContact CB-CD2 4.44Å; H60-L75 PolarHBondContact N-O 2.88Å; H60-L75 PolarHBondContact O-N 2.82Å; Y62-L75 HydrophobicContact CE2-CB 4.31Å; L75-K82 HydrophobicContact CD1-CB 4.28Å; L75-K84 HydrophobicContact CD1-CG 4.16Å |
| 76 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.6 | -175.3 | -165 | 71.9 | 0 | 0 | 0 | 111.1 | V39 V41 P56 R57 V58 I78 K82 K83 A85 V106 L108 | V39-L76 HydrophobicContact CG2-CD1 3.27Å; V39-L76 HydrophobicContact CG2-CD2 4.26Å; V39-L76 HydrophobicContact CG2-CG 4.42Å; V41-L76 HydrophobicContact CG2-CD2 3.87Å; P56-L76 HydrophobicContact CB-CD1 4.11Å; P56-L76 HydrophobicContact CB-CD2 3.82Å; P56-L76 HydrophobicContact CB-CG 4.08Å; R57-L76 VanDerWaalsContact C-CD1 3.47Å; R57-L76 WeakPolarHBondContact O-CD1 3.48Å; V58-L76 HydrophobicContact CG2-CD1 4.13Å; L76-I78 HydrophobicContact CD2-CB 4.36Å; L76-K82 WeakPolarHBondContact O-CA 3.43Å; L76-K83 WeakPolarHBondContact CA-O 3.4Å; L76-K83 WeakPolarHBondContact CB-O 3.3Å; L76-K83 PolarHBondContact N-O 2.82Å; L76-K83 PolarHBondContact O-N 2.99Å; L76-A85 HydrophobicContact CB-CB 4.48Å; L76-V106 HydrophobicContact CD2-CG2 4.36Å; L76-L108 HydrophobicContact CD2-CD2 3.75Å |
| 77 | A | 97.5 | Very high | 96.3 | Very high | 35 Ų | 35 | 42 Ų | 42 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 116.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | P56 R57 I59 G81 | P56-A77 VanDerWaalsContact CA-O 3.31Å; P56-A77 WeakPolarHBondContact CA-O 3.25Å; R57-A77 PolarHBondContact N-O 3Å; R57-A77 PolarHBondContact O-N 3.45Å; I59-A77 HydrophobicContact CD1-CB 3.4Å; I59-A77 VanDerWaalsContact CD1-CB 3.4Å; I59-A77 HydrophobicContact CG1-CB 3.86Å; A77-G81 WeakPolarHBondContact CA-O 3.48Å |
| 78 | I | 96.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.5 | 177.2 | -171.3 | 162.1 | 0 | 0 | 0 | 110 | V41 L47 P56 L76 G80 G81 K83 L108 | V41-I78 HydrophobicContact CG2-CD1 3.89Å; L47-I78 WeakPolarHBondContact O-CD1 3.39Å; P56-I78 HydrophobicContact CB-CB 4.46Å; P56-I78 HydrophobicContact CB-CD1 4.37Å; P56-I78 HydrophobicContact CB-CG1 4.44Å; P56-I78 HydrophobicContact CG-CD1 3.95Å; P56-I78 HydrophobicContact CG-CG1 4.16Å; L76-I78 HydrophobicContact CD2-CB 4.36Å; I78-G80 PolarHBondContact O-N 3.42Å; I78-G81 PolarHBondContact N-O 2.82Å; I78-G81 WeakPolarHBondContact O-CA 3.43Å; I78-G81 PolarHBondContact O-N 3.03Å; I78-K83 HydrophobicContact CG2-CB 4.28Å; I78-L108 HydrophobicContact CD1-CD1 4.45Å |
| 79 | K | 93.9 | Very high | 96.3 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39.4 | -179.9 | -64.9 | 174.2 | 169.1 | -178.8 | 0 | 114.8 | P46 L47 T50 W52 G81 | P46-K79 PolarHBondContact O-NZ 3.31Å; L47-K79 HydrophobicContact CD2-CD 4.33Å; L47-K79 WeakPolarHBondContact O-CE 3.45Å; L47-K79 PolarHBondContact O-NZ 3.41Å; T50-K79 VanDerWaalsContact CB-CE 3.44Å; T50-K79 WeakPolarHBondContact O-CE 3.21Å; T50-K79 PolarHBondContact OG1-NZ 3.01Å; W52-K79 HydrophobicContact CB-CG 4.12Å; W52-K79 HydrophobicContact CD2-CB 4.42Å; W52-K79 HydrophobicContact CD2-CG 4.27Å; W52-K79 HydrophobicContact CE3-CG 4.49Å; W52-K79 HydrophobicContact CG-CG 4.11Å; K79-G81 PolarHBondContact O-N 2.78Å |
| 80 | G | 92.3 | Very high | 96.3 | Very high | 82 Ų | 82 | 34.7 Ų | 34.7 | 85% | 0.845 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -3.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | I78 | I78-G80 PolarHBondContact O-N 3.42Š|
| 81 | G | 95.6 | Very high | 96.3 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 38% | 0.381 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 166.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A77 I78 K79 | A77-G81 WeakPolarHBondContact CA-O 3.48Å; I78-G81 PolarHBondContact N-O 2.82Å; I78-G81 WeakPolarHBondContact O-CA 3.43Å; I78-G81 PolarHBondContact O-N 3.03Å; K79-G81 PolarHBondContact O-N 2.78Å |
| 82 | K | 96.8 | Very high | 96.2 | Very high | 169 Ų | 169 | 40.5 Ų | 40.5 | 74% | 0.735 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.9 | 170.1 | 65.8 | -175.5 | 179.9 | -178 | 0 | 109.7 | L75 L76 | L75-K82 HydrophobicContact CD1-CB 4.28Å; L76-K82 WeakPolarHBondContact O-CA 3.43Å |
| 83 | K | 97.4 | Very high | 96.1 | Very high | 55 Ų | 55 | 42.3 Ų | 42.3 | 24% | 0.239 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 144 | 174.4 | -163.3 | 71.2 | 177.6 | -177 | 0 | 109.5 | L76 I78 L108 T116 | L76-K83 WeakPolarHBondContact CA-O 3.4Å; L76-K83 WeakPolarHBondContact CB-O 3.3Å; L76-K83 PolarHBondContact N-O 2.82Å; L76-K83 PolarHBondContact O-N 2.99Å; I78-K83 HydrophobicContact CG2-CB 4.28Å; K83-L108 HydrophobicContact CG-CB 4.46Å; K83-L108 HydrophobicContact CG-CD2 4.5Å; K83-T116 VanDerWaalsContact CE-OG1 3.3Å; K83-T116 WeakPolarHBondContact CE-OG1 3.31Å |
| 84 | K | 97.8 | Very high | 95.8 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 22% | 0.222 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 151.6 | 172.2 | -71 | 179.2 | 179.5 | 159.1 | 0 | 109.6 | Y62 V74 L75 I109 D111 | Y62-K84 HydrophobicContact CE2-CG 4.46Å; Y62-K84 WeakPolarHBondContact OH-CE 3.42Å; V74-K84 CarbonylContact O-C 3.54Å; V74-K84 WeakPolarHBondContact O-CA 3.49Å; L75-K84 HydrophobicContact CD1-CG 4.16Å; K84-I109 HydrophobicContact CB-CD1 4.32Å; K84-I109 HydrophobicContact CB-CG1 3.74Å; K84-I109 PolarHBondContact O-N 2.95Å; K84-D111 WeakPolarHBondContact CD-OD1 3.45Å; K84-D111 WeakPolarHBondContact CE-OD1 3.18Å; K84-D111 IonicContact NZ-OD1 2.66Å; K84-D111 PolarHBondContact NZ-OD1 2.79Å |
| 85 | A | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R73 V74 L76 V106 V107 L108 | R73-A85 WeakPolarHBondContact CA-O 3.15Å; V74-A85 HydrophobicContact CG2-CB 3.96Å; V74-A85 PolarHBondContact N-O 3.23Å; V74-A85 PolarHBondContact O-N 3.48Å; L76-A85 HydrophobicContact CB-CB 4.48Å; A85-V106 HydrophobicContact CB-CB 4.16Å; A85-V106 HydrophobicContact CB-CG2 4.41Å; A85-V107 CarbonylContact C-O 3.52Å; A85-V107 WeakPolarHBondContact CA-O 3.39Å; A85-V107 WeakPolarHBondContact CB-O 3.44Å; A85-L108 HydrophobicContact CB-CD2 4.08Å |
| 86 | L | 97.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.6 | 171.1 | -172 | 68.6 | 0 | 0 | 0 | 109 | G71 V88 V106 V107 I109 Y135 L138 | G71-L86 VanDerWaalsContact O-CD1 3.25Å; G71-L86 WeakPolarHBondContact O-CD1 3.44Å; L86-V88 PolarHBondContact O-N 3.38Å; L86-V106 VanDerWaalsContact O-CA 3.29Å; L86-V106 WeakPolarHBondContact O-CA 3.24Å; L86-V107 PolarHBondContact N-O 3.14Å; L86-V107 PolarHBondContact O-N 3.14Å; L86-I109 HydrophobicContact CB-CG2 4.13Å; L86-Y135 HydrophobicContact CD1-CE1 4.08Å; L86-Y135 HydrophobicContact CD1-CE2 3.87Å; L86-Y135 HydrophobicContact CD2-CD1 4.15Å; L86-Y135 HydrophobicContact CD2-CD2 4.3Å; L86-Y135 HydrophobicContact CD2-CE1 4.24Å; L86-Y135 HydrophobicContact CD2-CE2 4.39Å; L86-Y135 HydrophobicContact CD2-CG 4.17Å; L86-L138 HydrophobicContact CB-CD1 4.35Å; L86-L138 HydrophobicContact CD2-CD1 3.68Å; L86-L138 HydrophobicContact CD2-CD2 4.4Å |
| 87 | I | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 122.2 | 171.1 | -61.1 | 172 | 0 | 0 | 0 | 108.9 | I33 K69 V70 G71 D72 V74 V106 | I33-I87 HydrophobicContact CB-CD1 3.94Å; I33-I87 HydrophobicContact CD1-CB 4.33Å; I33-I87 HydrophobicContact CD1-CD1 3.85Å; I33-I87 HydrophobicContact CD1-CG1 3.92Å; I33-I87 HydrophobicContact CD1-CG2 3.48Å; I33-I87 VanDerWaalsContact CD1-CG2 3.48Å; I33-I87 HydrophobicContact CG2-CD1 3.7Å; I33-I87 HydrophobicContact CG2-CG1 4.35Å; K69-I87 VanDerWaalsContact O-CB 3.31Å; K69-I87 WeakPolarHBondContact O-CB 3.26Å; K69-I87 WeakPolarHBondContact O-CD1 3.38Å; K69-I87 WeakPolarHBondContact O-CG2 3.08Å; V70-I87 HydrophobicContact CG2-CG2 4.5Å; G71-I87 PolarHBondContact N-O 2.86Å; D72-I87 HydrophobicContact CB-CD1 4.29Å; D72-I87 PolarHBondContact O-N 2.87Å; V74-I87 HydrophobicContact CG1-CD1 3.61Å; V74-I87 HydrophobicContact CG1-CG1 3.89Å; V74-I87 HydrophobicContact CG2-CG1 4.23Å; I87-V106 HydrophobicContact CG1-CG1 4.41Å |
| 88 | V | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -30.3 | 179.6 | 165.6 | 0 | 0 | 0 | 0 | 111.9 | V70 L86 N105 V107 L124 P125 | V70-V88 WeakPolarHBondContact CG1-O 3.34Å; L86-V88 PolarHBondContact O-N 3.38Å; V88-N105 PolarHBondContact N-O 3.08Å; V88-V107 HydrophobicContact CG2-CB 4.17Å; V88-V107 HydrophobicContact CG2-CG2 3.64Å; V88-L124 HydrophobicContact CB-CD2 4.28Å; V88-L124 HydrophobicContact CG1-CD2 3.18Å; V88-L124 HydrophobicContact CG1-CG 4.38Å; V88-L124 HydrophobicContact CG2-CD2 4.11Å; V88-P125 WeakPolarHBondContact O-CD 3.33Å; V88-P125 VanDerWaalsContact O-CG 3.24Å; V88-P125 WeakPolarHBondContact O-CG 3.38Å |
| 89 | G | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 148.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N104 N105 | G89-N104 CarbonylContact O-C 3.58Å; G89-N105 PolarHBondContact N-O 3.43Å; G89-N105 PolarHBondContact O-N 2.96Å |
| 90 | H | 95.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 72.9 Ų | 72.9 | 9% | 0.093 | 38% | 0.379 | C | S | . | . | trans | -139.4 | 160.6 | 177.2 | 59.5 | 62.5 | 0 | 0 | 0 | 111.4 | I33 V70 M92 F101 N104 | I33-H90 HydrophobicContact CD1-CB 3.89Å; I33-H90 HydrophobicContact CG1-CB 4.23Å; V70-H90 VanDerWaalsContact CG2-CD2 3.49Å; V70-H90 WeakPolarHBondContact CG2-CD2 3.29Å; H90-M92 PolarHBondContact CE1-O 3.44Å; H90-M92 PolarHBondContact ND1-O 3.1Å; H90-F101 PolarHBondContact O-N 2.93Å; H90-N104 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 91 | K | 94.4 | Very high | 94.7 | Very high | 85 Ų | 85 | 70.2 Ų | 70.2 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -81.8 | -22.5 | -179.2 | -170.6 | 176.9 | -174.6 | 172.7 | 0 | 114.1 | R100 F101 D102 N104 | K91-R100 PolarHBondContact O-NE 3.4Å; K91-R100 PolarHBondContact O-NH2 2.95Å; K91-F101 VanDerWaalsContact CA-O 3.26Å; K91-F101 WeakPolarHBondContact CA-O 3.18Å; K91-D102 WeakPolarHBondContact CD-O 3.49Å; K91-N104 PolarHBondContact N-OD1 3.27Å |
| 92 | M | 93.7 | Very high | 94.6 | Very high | 71 Ų | 71 | 75.6 Ų | 75.6 | 35% | 0.35 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -57.2 | 136.2 | 174.6 | 177.8 | 177.5 | 175.5 | 0 | 0 | 110.5 | A31 A32 H90 G94 | A31-M92 HydrophobicContact CB-CB 4.45Å; A31-M92 WeakPolarHBondContact O-CB 3.31Å; A31-M92 PolarHBondContact O-N 2.91Å; A32-M92 HydrophobicContact CB-SD 4Å; H90-M92 PolarHBondContact CE1-O 3.44Å; H90-M92 PolarHBondContact ND1-O 3.1Å; M92-G94 PolarHBondContact O-N 3.42Å |
| 93 | P | 92.5 | Very high | 94.5 | Very high | 83 Ų | 83 | 69.4 Ų | 69.4 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | trans | -62.3 | 126.1 | 170.8 | 26.9 | -33.6 | 0 | 0 | 0 | 109.6 | ||||
| 94 | G | 89.9 | Confident | 94.4 | Very high | 51 Ų | 51 | 67.2 Ų | 67.2 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | trans | -93.3 | -163.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M92 | M92-G94 PolarHBondContact O-N 3.42Š| ||
| 95 | E | 90.6 | Very high | 94.3 | Very high | 139 Ų | 139 | 64.9 Ų | 64.9 | 65% | 0.65 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -63.6 | 160.8 | 171.4 | -63.6 | 169 | -176.8 | 0 | 0 | 111.7 | N98 | E95-N98 WeakPolarHBondContact O-CB 3.37Å; E95-N98 PolarHBondContact O-N 3.39Å |
| 96 | R | 92.4 | Very high | 94.3 | Very high | 242 Ų | 242 | 64.9 Ų | 64.9 | 91% | 0.913 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 145.4 | 175.9 | -65.1 | -177.9 | -178.8 | -173.7 | 0.3 | 109.9 | N98 | R96-N98 PolarHBondContact O-N 3.42Š|
| 97 | M | 92.3 | Very high | 94.3 | Very high | 195 Ų | 195 | 64.9 Ų | 64.9 | 96% | 0.961 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | 6.7 | -178.1 | -51.5 | -66.5 | -81.1 | 0 | 0 | 115.6 | ||
| 98 | N | 91.8 | Very high | 94.3 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 32% | 0.316 | 32% | 0.323 | S | S | . | . | trans | -96.4 | 140.6 | 170 | -73.7 | -29.4 | 0 | 0 | 0 | 111.3 | E95 R96 H127 | E95-N98 WeakPolarHBondContact O-CB 3.37Å; E95-N98 PolarHBondContact O-N 3.39Å; R96-N98 PolarHBondContact O-N 3.42Å; N98-H127 PolarHBondContact OD1-ND1 2.99Å | ||
| 99 | P | 95.1 | Very high | 94.4 | Very high | 34 Ų | 34 | 65 Ų | 65 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | trans | -69.9 | 142.2 | 178.4 | 29.6 | -35.1 | 0 | 0 | 0 | 110.9 | F101 P125 V146 | P99-F101 HydrophobicContact CB-CE2 4.37Å; P99-F101 HydrophobicContact CG-CE2 4.16Å; P99-F101 HydrophobicContact CG-CZ 4.4Å; P99-P125 HydrophobicContact CG-CB 3.66Å; P99-V146 HydrophobicContact CB-CG1 3.98Å; P99-V146 HydrophobicContact CG-CG1 4.49Å | ||
| 100 | R | 94.7 | Very high | 94.3 | Very high | 156 Ų | 156 | 68.5 Ų | 68.5 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | trans | -105.7 | 132.2 | 172.3 | -177.7 | -179 | 178.8 | -169.8 | -3.5 | 109 | K91 | K91-R100 PolarHBondContact O-NE 3.4Å; K91-R100 PolarHBondContact O-NH2 2.95Å | ||
| 101 | F | 94.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 72.9 Ų | 72.9 | 12% | 0.118 | 36% | 0.364 | C | S | . | . | trans | -104.3 | 152.2 | 178.4 | -64.9 | -86.4 | 0 | 0 | 0 | 111 | H90 K91 P99 S103 P123 P125 | H90-F101 PolarHBondContact O-N 2.93Å; K91-F101 VanDerWaalsContact CA-O 3.26Å; K91-F101 WeakPolarHBondContact CA-O 3.18Å; P99-F101 HydrophobicContact CB-CE2 4.37Å; P99-F101 HydrophobicContact CG-CE2 4.16Å; P99-F101 HydrophobicContact CG-CZ 4.4Å; F101-S103 VanDerWaalsContact C-N 3.33Å; F101-P123 HydrophobicContact CE1-CG 4.35Å; F101-P125 HydrophobicContact CE2-CG 4.37Å | ||
| 102 | D | 93.4 | Very high | 94 | Very high | 150 Ų | 150 | 75.2 Ų | 75.2 | 80% | 0.802 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -75.1 | -26.1 | 175.5 | -63.3 | -44.7 | 0 | 0 | 0 | 112.9 | K91 | K91-D102 WeakPolarHBondContact CD-O 3.49Š|
| 103 | S | 93.7 | Very high | 93.8 | Very high | 38 Ų | 38 | 72.2 Ų | 72.2 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -117.9 | 145.6 | -178.7 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | F101 N105 | F101-S103 VanDerWaalsContact C-N 3.33Å; S103-N105 PolarHBondContact O-N 3.04Å; S103-N105 PolarHBondContact O-ND2 2.68Å; S103-N105 PolarHBondContact OG-ND2 3.24Å; S103-N105 PolarHBondContact OG-OD1 2.85Å |
| 104 | N | 95.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 70.4 Ų | 70.4 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | trans | -74.8 | 107.2 | 170.4 | -62.9 | -29.6 | 0 | 0 | 0 | 109 | A30 I33 V39 R40 G89 H90 K91 | A30-N104 PolarHBondContact O-ND2 2.61Å; I33-N104 HydrophobicContact CD1-CB 4.11Å; I33-N104 HydrophobicContact CG1-CB 4.17Å; V39-N104 HydrophobicContact CG1-CB 4.15Å; R40-N104 PolarHBondContact N-O 3.16Å; G89-N104 CarbonylContact O-C 3.58Å; H90-N104 WeakPolarHBondContact CA-OD1 3.48Å; K91-N104 PolarHBondContact N-OD1 3.27Å | ||
| 105 | N | 96.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.9 | -170.6 | -68.4 | -27.4 | 0 | 0 | 0 | 110.3 | V42 V88 G89 S103 | V42-N105 HydrophobicContact CG2-CB 3.67Å; V88-N105 PolarHBondContact N-O 3.08Å; G89-N105 PolarHBondContact N-O 3.43Å; G89-N105 PolarHBondContact O-N 2.96Å; S103-N105 PolarHBondContact O-N 3.04Å; S103-N105 PolarHBondContact O-ND2 2.68Å; S103-N105 PolarHBondContact OG-ND2 3.24Å; S103-N105 PolarHBondContact OG-OD1 2.85Å |
| 106 | V | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 151.4 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | V39 R40 V41 V42 L76 A85 L86 I87 | V39-V106 HydrophobicContact CB-CG1 3.98Å; V39-V106 HydrophobicContact CB-CG2 4.01Å; V39-V106 HydrophobicContact CG1-CG1 4.1Å; V39-V106 HydrophobicContact CG2-CG1 4.16Å; V39-V106 HydrophobicContact CG2-CG2 3.62Å; R40-V106 PolarHBondContact O-N 3.43Å; V41-V106 WeakPolarHBondContact CA-O 3.35Å; V41-V106 HydrophobicContact CG2-CG2 4Å; V42-V106 PolarHBondContact N-O 3.21Å; L76-V106 HydrophobicContact CD2-CG2 4.36Å; A85-V106 HydrophobicContact CB-CB 4.16Å; A85-V106 HydrophobicContact CB-CG2 4.41Å; L86-V106 VanDerWaalsContact O-CA 3.29Å; L86-V106 WeakPolarHBondContact O-CA 3.24Å; I87-V106 HydrophobicContact CG1-CG1 4.41Å |
| 107 | V | 97.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.2 | 173.2 | 172.1 | 0 | 0 | 0 | 0 | 108.2 | D43 A85 L86 V88 I120 L138 | D43-V107 HydrophobicContact CB-CG1 4.44Å; A85-V107 CarbonylContact C-O 3.52Å; A85-V107 WeakPolarHBondContact CA-O 3.39Å; A85-V107 WeakPolarHBondContact CB-O 3.44Å; L86-V107 PolarHBondContact N-O 3.14Å; L86-V107 PolarHBondContact O-N 3.14Å; V88-V107 HydrophobicContact CG2-CB 4.17Å; V88-V107 HydrophobicContact CG2-CG2 3.64Å; V107-I120 HydrophobicContact CG1-CD1 4.5Å; V107-I120 HydrophobicContact CG2-CD1 4.15Å; V107-I120 HydrophobicContact CG2-CG1 4.13Å; V107-I120 HydrophobicContact CG2-CG2 4.23Å; V107-L138 HydrophobicContact CB-CD1 4.32Å; V107-L138 HydrophobicContact CG1-CD1 3.87Å; V107-L138 HydrophobicContact CG1-CG 4.31Å |
| 108 | L | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 135.2 | -179.9 | -58.1 | -178.8 | 0 | 0 | 0 | 110.4 | V41 D43 L47 L76 I78 K83 A85 T116 | V41-L108 HydrophobicContact CG1-CD1 4.14Å; V41-L108 HydrophobicContact CG1-CD2 4.36Å; V41-L108 HydrophobicContact CG1-CG 3.84Å; V41-L108 HydrophobicContact CG2-CD2 4.25Å; D43-L108 VanDerWaalsContact OD2-CB 3.23Å; D43-L108 WeakPolarHBondContact OD2-CB 3.36Å; D43-L108 VanDerWaalsContact OD2-CG 3.31Å; D43-L108 WeakPolarHBondContact OD2-CG 3.46Å; D43-L108 PolarHBondContact OD2-N 3.49Å; L47-L108 HydrophobicContact CB-CD1 3.8Å; L47-L108 HydrophobicContact CD1-CD1 4.32Å; L76-L108 HydrophobicContact CD2-CD2 3.75Å; I78-L108 HydrophobicContact CD1-CD1 4.45Å; K83-L108 HydrophobicContact CG-CB 4.46Å; K83-L108 HydrophobicContact CG-CD2 4.5Å; A85-L108 HydrophobicContact CB-CD2 4.08Å; L108-T116 PolarHBondContact O-N 2.66Å |
| 109 | I | 96.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 154.6 | 177.3 | 64.5 | 173.9 | 0 | 0 | 0 | 110 | R73 K84 L86 N114 Y135 L138 | R73-I109 HydrophobicContact CG-CD1 4.31Å; K84-I109 HydrophobicContact CB-CD1 4.32Å; K84-I109 HydrophobicContact CB-CG1 3.74Å; K84-I109 PolarHBondContact O-N 2.95Å; L86-I109 HydrophobicContact CB-CG2 4.13Å; I109-N114 CarbonylContact C-O 3.59Å; I109-N114 WeakPolarHBondContact CA-O 3.28Å; I109-Y135 HydrophobicContact CD1-CE1 4.32Å; I109-L138 HydrophobicContact CG2-CD1 3.95Å |
| 110 | E | 95.2 | Very high | 95 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 34% | 0.341 | 27% | 0.266 | S | S | . | . | trans | -83.8 | 173.5 | 169.3 | -57.3 | -167.9 | 148.3 | 0 | 0 | 111.1 | N112 G113 N114 | E110-N112 PolarHBondContact O-N 2.93Å; E110-G113 PolarHBondContact O-N 2.82Å; E110-G113 VanDerWaalsContact O-N 3.08Å; E110-N114 PolarHBondContact N-O 3.23Å | ||
| 111 | D | 92.4 | Very high | 94.9 | Very high | 113 Ų | 113 | 51.1 Ų | 51.1 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.7 | 176.7 | -64.5 | -49.6 | 0 | 0 | 0 | 112.4 | K84 G113 | K84-D111 WeakPolarHBondContact CD-OD1 3.45Å; K84-D111 WeakPolarHBondContact CE-OD1 3.18Å; K84-D111 IonicContact NZ-OD1 2.66Å; K84-D111 PolarHBondContact NZ-OD1 2.79Å; D111-G113 VanDerWaalsContact C-N 3.28Å; D111-G113 PolarHBondContact O-N 3.46Å |
| 112 | N | 90.7 | Very high | 94.9 | Very high | 133 Ų | 133 | 50.8 Ų | 50.8 | 71% | 0.711 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.7 | 178.4 | -57.9 | -19.8 | 0 | 0 | 0 | 113.7 | E110 N114 | E110-N112 PolarHBondContact O-N 2.93Å; N112-N114 VanDerWaalsContact C-N 3.27Å; N112-N114 PolarHBondContact O-N 2.8Å |
| 113 | G | 88.7 | Confident | 95 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 82.5 | -5.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E110 D111 | E110-G113 PolarHBondContact O-N 2.82Å; E110-G113 VanDerWaalsContact O-N 3.08Å; D111-G113 VanDerWaalsContact C-N 3.28Å; D111-G113 PolarHBondContact O-N 3.46Å |
| 114 | N | 94.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 43.8 Ų | 43.8 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | trans | -67.2 | 140.6 | 173.6 | -63.5 | -34.9 | 0 | 0 | 0 | 110.9 | I109 E110 N112 K137 | I109-N114 CarbonylContact C-O 3.59Å; I109-N114 WeakPolarHBondContact CA-O 3.28Å; E110-N114 PolarHBondContact N-O 3.23Å; N112-N114 VanDerWaalsContact C-N 3.27Å; N112-N114 PolarHBondContact O-N 2.8Å; N114-K137 VanDerWaalsContact OD1-CD 3.3Å; N114-K137 WeakPolarHBondContact OD1-CD 3.31Å; N114-K137 PolarHBondContact OD1-NZ 2.92Å | ||
| 115 | P | 96.8 | Very high | 95.1 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 14% | 0.136 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -69.3 | 139.9 | 173.3 | 29.2 | -33.1 | 0 | 0 | 0 | 110.5 | K137 L138 I141 | P115-K137 HydrophobicContact CG-CB 4.39Å; P115-L138 HydrophobicContact CB-CB 4.45Å; P115-L138 HydrophobicContact CB-CG 4.42Å; P115-L138 HydrophobicContact CG-CB 4.42Å; P115-I141 HydrophobicContact CB-CD1 4.46Å; P115-I141 HydrophobicContact CG-CD1 3.59Å |
| 116 | T | 96 | Very high | 95.1 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 24% | 0.239 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -77.8 | -27.6 | 176.2 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | K83 L108 | K83-T116 VanDerWaalsContact CE-OG1 3.3Å; K83-T116 WeakPolarHBondContact CE-OG1 3.31Å; L108-T116 PolarHBondContact O-N 2.66Å |
| 117 | G | 94.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -97.3 | 155.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 118 | T | 95.9 | Very high | 94.6 | Very high | 113 Ų | 113 | 48.7 Ų | 48.7 | 69% | 0.693 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -90.1 | -19.1 | 179.2 | -39.8 | 0 | 0 | 0 | 0 | 113.2 | N44 I141 | N44-T118 PolarHBondContact OD1-N 2.98Å; T118-I141 WeakPolarHBondContact O-CG2 3.4Å |
| 119 | R | 95.4 | Very high | 94.4 | Very high | 161 Ų | 161 | 54.2 Ų | 54.2 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | trans | -143 | 135.2 | -178.1 | -172.3 | 176.8 | 178.2 | -162 | 1.3 | 111.5 | N44 | N44-R119 PolarHBondContact N-O 3.41Å; N44-R119 VanDerWaalsContact N-O 3.1Å; N44-R119 PolarHBondContact OD1-N 2.64Å; N44-R119 PolarHBondContact OD1-O 3.06Å | ||
| 120 | I | 96.5 | Very high | 94.1 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -99.4 | 130.3 | 172.8 | -56.2 | 163 | 0 | 0 | 0 | 109.9 | V107 V122 L124 L138 I141 A142 | V107-I120 HydrophobicContact CG1-CD1 4.5Å; V107-I120 HydrophobicContact CG2-CD1 4.15Å; V107-I120 HydrophobicContact CG2-CG1 4.13Å; V107-I120 HydrophobicContact CG2-CG2 4.23Å; I120-V122 HydrophobicContact CG2-CG2 4.18Å; I120-L124 HydrophobicContact CD1-CD1 4.07Å; I120-L124 HydrophobicContact CD1-CD2 4.22Å; I120-L124 HydrophobicContact CG2-CD2 3.95Å; I120-L138 HydrophobicContact CD1-CD2 3.79Å; I120-L138 HydrophobicContact CD1-CG 4.19Å; I120-I141 HydrophobicContact CD1-CG2 4.31Å; I120-I141 HydrophobicContact CG1-CG2 4.07Å; I120-A142 HydrophobicContact CD1-CB 4.43Å |
| 121 | K | 92.3 | Very high | 93.6 | Very high | 127 Ų | 127 | 62.9 Ų | 62.9 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | trans | -85.6 | -21.6 | -172.2 | -62.8 | 175.2 | -178 | 171 | 0 | 114.2 | V42 | V42-K121 HydrophobicContact CG1-CB 4.14Å; V42-K121 PolarHBondContact O-N 3.01Å | ||
| 122 | V | 95.1 | Very high | 93 | Very high | 20 Ų | 20 | 62.7 Ų | 62.7 | 12% | 0.121 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -110 | 157.1 | -178 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | V42 I120 | V42-V122 HydrophobicContact CB-CG2 3.76Å; V42-V122 HydrophobicContact CG1-CB 3.72Å; V42-V122 HydrophobicContact CG1-CG1 3.29Å; V42-V122 HydrophobicContact CG1-CG2 3.25Å; V42-V122 HydrophobicContact CG2-CG2 4.1Å; I120-V122 HydrophobicContact CG2-CG2 4.18Å |
| 123 | P | 96.1 | Very high | 92.7 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 26% | 0.26 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 145.7 | 170.2 | 25.8 | -34 | 0 | 0 | 0 | 111.7 | F101 R144 V146 | F101-P123 HydrophobicContact CE1-CG 4.35Å; P123-R144 WeakPolarHBondContact CA-O 3.29Å; P123-R144 HydrophobicContact CB-CB 4.06Å; P123-V146 HydrophobicContact CB-CG2 3.62Å; P123-V146 HydrophobicContact CG-CG2 4.08Å |
| 124 | L | 96.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -99.6 | 148 | 172.1 | -53.1 | -167.9 | 0 | 0 | 0 | 111 | V88 I120 L128 L138 L139 A142 R144 F145 V146 | V88-L124 HydrophobicContact CB-CD2 4.28Å; V88-L124 HydrophobicContact CG1-CD2 3.18Å; V88-L124 HydrophobicContact CG1-CG 4.38Å; V88-L124 HydrophobicContact CG2-CD2 4.11Å; I120-L124 HydrophobicContact CD1-CD1 4.07Å; I120-L124 HydrophobicContact CD1-CD2 4.22Å; I120-L124 HydrophobicContact CG2-CD2 3.95Å; L124-L128 HydrophobicContact CB-CD1 4.42Å; L124-L138 HydrophobicContact CD1-CD2 3.93Å; L124-L139 HydrophobicContact CD1-CD2 4.5Å; L124-A142 HydrophobicContact CD1-CB 3.31Å; L124-A142 HydrophobicContact CG-CB 3.75Å; L124-R144 PolarHBondContact N-O 3.24Å; L124-F145 HydrophobicContact CB-CD1 4.08Å; L124-F145 HydrophobicContact CB-CE1 4.1Å; L124-F145 HydrophobicContact CD1-CE1 4.37Å; L124-F145 CarbonylContact O-C 3.48Å; L124-F145 WeakPolarHBondContact O-CA 3.4Å; L124-V146 PolarHBondContact O-N 2.84Å |
| 125 | P | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 137.7 | 169.7 | 20.5 | -25.8 | 0 | 0 | 0 | 112.3 | V70 V88 P99 F101 H127 L128 V146 | V70-P125 HydrophobicContact CG1-CG 3.7Å; V88-P125 WeakPolarHBondContact O-CD 3.33Å; V88-P125 VanDerWaalsContact O-CG 3.24Å; V88-P125 WeakPolarHBondContact O-CG 3.38Å; P99-P125 HydrophobicContact CG-CB 3.66Å; F101-P125 HydrophobicContact CE2-CG 4.37Å; P125-H127 VanDerWaalsContact C-N 3.26Å; P125-H127 WeakPolarHBondContact CB-NE2 3.23Å; P125-H127 WeakPolarHBondContact CG-NE2 3.16Å; P125-H127 PolarHBondContact O-N 3.35Å; P125-L128 HydrophobicContact CG-CD1 3.73Å; P125-L128 HydrophobicContact CG-CG 4Å; P125-L128 WeakPolarHBondContact O-CB 3.3Å; P125-L128 PolarHBondContact O-N 3.02Å; P125-V146 CarbonylContact C-O 3.46Å; P125-V146 VanDerWaalsContact CA-O 3.25Å; P125-V146 WeakPolarHBondContact CA-O 3.48Å |
| 126 | T | 94.9 | Very high | 92.3 | Very high | 70 Ų | 70 | 64.1 Ų | 64.1 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -59.9 | -31.6 | 179.3 | 46.9 | 0 | 0 | 0 | 0 | 113.5 | L128 R129 F145 V146 | T126-L128 PolarHBondContact O-N 3.35Å; T126-L128 VanDerWaalsContact O-N 3.11Å; T126-R129 WeakPolarHBondContact O-CB 3.34Å; T126-R129 PolarHBondContact O-N 3.41Å; T126-F145 HydrophobicContact CG2-CB 3.88Å; T126-V146 WeakPolarHBondContact CG2-O 3.48Å; T126-V146 PolarHBondContact N-O 3.39Å; T126-V146 PolarHBondContact OG1-O 3.25Å |
| 127 | H | 91.9 | Very high | 92.2 | Very high | 40 Ų | 40 | 68.2 Ų | 68.2 | 19% | 0.185 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -61.8 | -20.4 | 179 | 59.6 | -131.7 | 0 | 0 | 0 | 113.8 | V70 N98 P125 R129 K130 | V70-H127 WeakPolarHBondContact CG1-NE2 3.5Å; N98-H127 PolarHBondContact OD1-ND1 2.99Å; P125-H127 VanDerWaalsContact C-N 3.26Å; P125-H127 WeakPolarHBondContact CB-NE2 3.23Å; P125-H127 WeakPolarHBondContact CG-NE2 3.16Å; P125-H127 PolarHBondContact O-N 3.35Å; H127-R129 PolarHBondContact O-N 3.23Å; H127-K130 WeakPolarHBondContact O-CB 3.41Å; H127-K130 WeakPolarHBondContact O-CG 3.39Å; H127-K130 PolarHBondContact O-N 3.19Å |
| 128 | L | 92.9 | Very high | 92.2 | Very high | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -65.5 | -20 | 175.5 | -76.1 | 173.4 | 0 | 0 | 0 | 112.4 | V70 L124 P125 T126 K130 M131 L139 | V70-L128 HydrophobicContact CG1-CD1 3.98Å; V70-L128 HydrophobicContact CG1-CD2 3.68Å; V70-L128 HydrophobicContact CG1-CG 3.83Å; L124-L128 HydrophobicContact CB-CD1 4.42Å; P125-L128 HydrophobicContact CG-CD1 3.73Å; P125-L128 HydrophobicContact CG-CG 4Å; P125-L128 WeakPolarHBondContact O-CB 3.3Å; P125-L128 PolarHBondContact O-N 3.02Å; T126-L128 PolarHBondContact O-N 3.35Å; T126-L128 VanDerWaalsContact O-N 3.11Å; L128-K130 PolarHBondContact O-N 3.43Å; L128-M131 HydrophobicContact CD2-SD 4.44Å; L128-M131 PolarHBondContact O-N 3.2Å; L128-L139 HydrophobicContact CB-CD2 4.09Å |
| 129 | R | 92.9 | Very high | 92.1 | Very high | 116 Ų | 116 | 63.1 Ų | 63.1 | 44% | 0.438 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -64.7 | -21.1 | 175.2 | -68.9 | -180 | 171.3 | -98.9 | 2.6 | 113.2 | T126 H127 M131 E132 L139 F145 | T126-R129 WeakPolarHBondContact O-CB 3.34Å; T126-R129 PolarHBondContact O-N 3.41Å; H127-R129 PolarHBondContact O-N 3.23Å; R129-M131 PolarHBondContact O-N 2.84Å; R129-M131 VanDerWaalsContact O-N 3.13Å; R129-E132 WeakPolarHBondContact O-CB 3.48Å; R129-E132 PolarHBondContact O-N 3.1Å; R129-L139 HydrophobicContact CG-CD2 4.43Å; R129-F145 HydrophobicContact CG-CE1 4.21Å; R129-F145 VanDerWaalsContact NH2-CZ 3.3Å |
| 130 | K | 90.5 | Very high | 92.1 | Very high | 191 Ų | 191 | 59.5 Ų | 59.5 | 83% | 0.83 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -62.4 | -19.7 | 172.8 | -62.3 | 179.4 | -178.8 | 179.7 | 0 | 112.4 | H127 L128 | H127-K130 WeakPolarHBondContact O-CB 3.41Å; H127-K130 WeakPolarHBondContact O-CG 3.39Å; H127-K130 PolarHBondContact O-N 3.19Å; L128-K130 PolarHBondContact O-N 3.43Å |
| 131 | M | 84.3 | Confident | 92 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -101 | 27.2 | -178.9 | -53.4 | -177.6 | 76.8 | 0 | 0 | 112.6 | L128 R129 G133 D134 Y135 | L128-M131 HydrophobicContact CD2-SD 4.44Å; L128-M131 PolarHBondContact O-N 3.2Å; R129-M131 PolarHBondContact O-N 2.84Å; R129-M131 VanDerWaalsContact O-N 3.13Å; M131-G133 PolarHBondContact O-N 2.79Å; M131-G133 VanDerWaalsContact O-N 3.13Å; M131-D134 PolarHBondContact O-N 2.91Å; M131-Y135 HydrophobicContact CB-CD2 4.1Å; M131-Y135 HydrophobicContact CE-CD2 4.29Å; M131-Y135 HydrophobicContact CE-CE2 3.8Å; M131-Y135 PolarHBondContact O-N 2.77Å |
| 132 | E | 80.1 | Confident | 92.1 | Very high | 109 Ų | 109 | 56.4 Ų | 56.4 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -24.1 | -173.8 | -170.2 | 161.4 | -154.4 | 0 | 0 | 113.9 | R129 S136 L139 | R129-E132 WeakPolarHBondContact O-CB 3.48Å; R129-E132 PolarHBondContact O-N 3.1Å; E132-S136 WeakPolarHBondContact O-CA 3Å; E132-S136 WeakPolarHBondContact O-CB 3.45Å; E132-S136 PolarHBondContact O-N 3.12Å; E132-S136 VanDerWaalsContact O-N 3.14Å; E132-S136 PolarHBondContact O-OG 3.24Å; E132-L139 HydrophobicContact CB-CD1 4.06Å; E132-L139 HydrophobicContact CG-CD1 4.23Å |
| 133 | G | 84.8 | Confident | 92.1 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.6 | -52.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | M131 S136 | M131-G133 PolarHBondContact O-N 2.79Å; M131-G133 VanDerWaalsContact O-N 3.13Å; G133-S136 PolarHBondContact O-OG 3.49Å |
| 134 | D | 87 | Confident | 92 | Very high | 103 Ų | 103 | 65.7 Ų | 65.7 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -79.8 | -27.7 | -173.6 | -71.2 | -20.8 | 0 | 0 | 0 | 113.2 | R73 M131 | R73-D134 IonicContact NH2-OD2 3.86Å; M131-D134 PolarHBondContact O-N 2.91Å |
| 135 | Y | 92.1 | Very high | 92 | Very high | 6 Ų | 6 | 68.3 Ų | 68.3 | 2% | 0.024 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -128.3 | 26.7 | -168.4 | -60.4 | -64.3 | 0 | 0 | 0 | 114.2 | R73 L86 I109 M131 K137 L138 L139 | R73-Y135 WeakPolarHBondContact CD-OH 3.38Å; R73-Y135 WeakPolarHBondContact CG-OH 3.19Å; R73-Y135 PolarHBondContact NE-OH 2.74Å; L86-Y135 HydrophobicContact CD1-CE1 4.08Å; L86-Y135 HydrophobicContact CD1-CE2 3.87Å; L86-Y135 HydrophobicContact CD2-CD1 4.15Å; L86-Y135 HydrophobicContact CD2-CD2 4.3Å; L86-Y135 HydrophobicContact CD2-CE1 4.24Å; L86-Y135 HydrophobicContact CD2-CE2 4.39Å; L86-Y135 HydrophobicContact CD2-CG 4.17Å; I109-Y135 HydrophobicContact CD1-CE1 4.32Å; M131-Y135 HydrophobicContact CB-CD2 4.1Å; M131-Y135 HydrophobicContact CE-CD2 4.29Å; M131-Y135 HydrophobicContact CE-CE2 3.8Å; M131-Y135 PolarHBondContact O-N 2.77Å; Y135-K137 VanDerWaalsContact C-N 3.27Å; Y135-K137 PolarHBondContact O-N 2.72Å; Y135-L138 WeakPolarHBondContact O-CB 3.41Å; Y135-L138 PolarHBondContact O-N 2.88Å; Y135-L139 PolarHBondContact O-N 3.19Å |
| 136 | S | 93.3 | Very high | 91.9 | Very high | 58 Ų | 58 | 73.1 Ų | 73.1 | 41% | 0.406 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -53.3 | -44.2 | -176.4 | -14.7 | 0 | 0 | 0 | 0 | 112.2 | E132 G133 L138 L139 A140 | E132-S136 WeakPolarHBondContact O-CA 3Å; E132-S136 WeakPolarHBondContact O-CB 3.45Å; E132-S136 PolarHBondContact O-N 3.12Å; E132-S136 VanDerWaalsContact O-N 3.14Å; E132-S136 PolarHBondContact O-OG 3.24Å; G133-S136 PolarHBondContact O-OG 3.49Å; S136-L138 VanDerWaalsContact C-N 3.34Å; S136-L138 PolarHBondContact O-N 2.96Å; S136-L139 PolarHBondContact O-N 2.79Å; S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.25Å |
| 137 | K | 93.8 | Very high | 91.8 | Very high | 125 Ų | 125 | 73.3 Ų | 73.3 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.6 | -35.2 | 179.4 | -64.1 | -177.5 | -169.3 | 167.4 | 0 | 113 | N114 P115 Y135 I141 | N114-K137 VanDerWaalsContact OD1-CD 3.3Å; N114-K137 WeakPolarHBondContact OD1-CD 3.31Å; N114-K137 PolarHBondContact OD1-NZ 2.92Å; P115-K137 HydrophobicContact CG-CB 4.39Å; Y135-K137 VanDerWaalsContact C-N 3.27Å; Y135-K137 PolarHBondContact O-N 2.72Å; K137-I141 WeakPolarHBondContact O-CD1 3.13Å; K137-I141 WeakPolarHBondContact O-CG1 3.38Å; K137-I141 PolarHBondContact O-N 3.11Å |
| 138 | L | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.3 | -42.8 | 178 | -168.6 | 157.5 | 0 | 0 | 0 | 110.4 | L86 V107 I109 P115 I120 L124 Y135 S136 A140 I141 A142 | L86-L138 HydrophobicContact CB-CD1 4.35Å; L86-L138 HydrophobicContact CD2-CD1 3.68Å; L86-L138 HydrophobicContact CD2-CD2 4.4Å; V107-L138 HydrophobicContact CB-CD1 4.32Å; V107-L138 HydrophobicContact CG1-CD1 3.87Å; V107-L138 HydrophobicContact CG1-CG 4.31Å; I109-L138 HydrophobicContact CG2-CD1 3.95Å; P115-L138 HydrophobicContact CB-CB 4.45Å; P115-L138 HydrophobicContact CB-CG 4.42Å; P115-L138 HydrophobicContact CG-CB 4.42Å; I120-L138 HydrophobicContact CD1-CD2 3.79Å; I120-L138 HydrophobicContact CD1-CG 4.19Å; L124-L138 HydrophobicContact CD1-CD2 3.93Å; Y135-L138 WeakPolarHBondContact O-CB 3.41Å; Y135-L138 PolarHBondContact O-N 2.88Å; S136-L138 VanDerWaalsContact C-N 3.34Å; S136-L138 PolarHBondContact O-N 2.96Å; L138-A140 VanDerWaalsContact C-N 3.34Å; L138-I141 PolarHBondContact O-N 3.37Å; L138-A142 PolarHBondContact O-N 2.74Å |
| 139 | L | 94.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 78.8 Ų | 78.8 | 6% | 0.058 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.4 | -36.7 | 176.3 | -65.2 | 172.8 | 0 | 0 | 0 | 112.1 | L124 L128 R129 E132 Y135 S136 I141 A142 F145 | L124-L139 HydrophobicContact CD1-CD2 4.5Å; L128-L139 HydrophobicContact CB-CD2 4.09Å; R129-L139 HydrophobicContact CG-CD2 4.43Å; E132-L139 HydrophobicContact CB-CD1 4.06Å; E132-L139 HydrophobicContact CG-CD1 4.23Å; Y135-L139 PolarHBondContact O-N 3.19Å; S136-L139 PolarHBondContact O-N 2.79Å; L139-I141 VanDerWaalsContact C-N 3.3Å; L139-I141 PolarHBondContact O-N 3.17Å; L139-A142 WeakPolarHBondContact O-CB 3.49Å; L139-A142 PolarHBondContact O-N 2.77Å; L139-F145 HydrophobicContact CD2-CE1 4.17Å |
| 140 | A | 94.3 | Very high | 91.7 | Very high | 86 Ų | 86 | 76.6 Ų | 76.6 | 71% | 0.711 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.8 | -32 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S136 L138 A142 | S136-A140 WeakPolarHBondContact O-CB 3.36Å; S136-A140 PolarHBondContact O-N 3.25Å; L138-A140 VanDerWaalsContact C-N 3.34Å; A140-A142 VanDerWaalsContact C-N 3.32Å |
| 141 | I | 95.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 26% | 0.262 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -78 | -18.7 | 178.2 | -78 | 164 | 0 | 0 | 0 | 112.4 | P115 T118 I120 K137 L138 L139 S143 | P115-I141 HydrophobicContact CB-CD1 4.46Å; P115-I141 HydrophobicContact CG-CD1 3.59Å; T118-I141 WeakPolarHBondContact O-CG2 3.4Å; I120-I141 HydrophobicContact CD1-CG2 4.31Å; I120-I141 HydrophobicContact CG1-CG2 4.07Å; K137-I141 WeakPolarHBondContact O-CD1 3.13Å; K137-I141 WeakPolarHBondContact O-CG1 3.38Å; K137-I141 PolarHBondContact O-N 3.11Å; L138-I141 PolarHBondContact O-N 3.37Å; L139-I141 VanDerWaalsContact C-N 3.3Å; L139-I141 PolarHBondContact O-N 3.17Å; I141-S143 PolarHBondContact O-N 3.11Å |
| 142 | A | 95 | Very high | 92.2 | Very high | 13 Ų | 13 | 69.7 Ų | 69.7 | 11% | 0.107 | 40% | 0.397 | C | S | . | . | trans | -71.7 | 127.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I120 L124 L138 L139 A140 F145 | I120-A142 HydrophobicContact CD1-CB 4.43Å; L124-A142 HydrophobicContact CD1-CB 3.31Å; L124-A142 HydrophobicContact CG-CB 3.75Å; L138-A142 PolarHBondContact O-N 2.74Å; L139-A142 WeakPolarHBondContact O-CB 3.49Å; L139-A142 PolarHBondContact O-N 2.77Å; A140-A142 VanDerWaalsContact C-N 3.32Å; A142-F145 HydrophobicContact CB-CE1 4.24Å; A142-F145 HydrophobicContact CB-CE2 3.9Å; A142-F145 HydrophobicContact CB-CZ 3.55Å | ||
| 143 | S | 93.4 | Very high | 93.1 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 51% | 0.51 | 39% | 0.389 | S | S | . | . | trans | -88.3 | -27.7 | -176.7 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | I141 | I141-S143 PolarHBondContact O-N 3.11Š| ||
| 144 | R | 95.4 | Very high | 93.7 | Very high | 182 Ų | 182 | 66.6 Ų | 66.6 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | trans | -139.5 | 143.8 | -174.5 | -64.4 | -177.7 | -179.1 | 176.9 | -1 | 110.2 | P123 L124 | P123-R144 WeakPolarHBondContact CA-O 3.29Å; P123-R144 HydrophobicContact CB-CB 4.06Å; L124-R144 PolarHBondContact N-O 3.24Å | ||
| 145 | F | 95.8 | Very high | 94.3 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -125.8 | 145.8 | 177 | -67.5 | -93.3 | 0 | 0 | 0 | 110.7 | L124 T126 R129 L139 A142 | L124-F145 HydrophobicContact CB-CD1 4.08Å; L124-F145 HydrophobicContact CB-CE1 4.1Å; L124-F145 HydrophobicContact CD1-CE1 4.37Å; L124-F145 CarbonylContact O-C 3.48Å; L124-F145 WeakPolarHBondContact O-CA 3.4Å; T126-F145 HydrophobicContact CG2-CB 3.88Å; R129-F145 HydrophobicContact CG-CE1 4.21Å; R129-F145 VanDerWaalsContact NH2-CZ 3.3Å; L139-F145 HydrophobicContact CD2-CE1 4.17Å; A142-F145 HydrophobicContact CB-CE1 4.24Å; A142-F145 HydrophobicContact CB-CE2 3.9Å; A142-F145 HydrophobicContact CB-CZ 3.55Å |
| 146 | V | 94.1 | Very high | 94.5 | Very high | 101 Ų | 101 | 68.8 Ų | 68.8 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | trans | -129.6 | 0 | 177.8 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | P99 P123 L124 P125 T126 | P99-V146 HydrophobicContact CB-CG1 3.98Å; P99-V146 HydrophobicContact CG-CG1 4.49Å; P123-V146 HydrophobicContact CB-CG2 3.62Å; P123-V146 HydrophobicContact CG-CG2 4.08Å; L124-V146 PolarHBondContact O-N 2.84Å; P125-V146 CarbonylContact C-O 3.46Å; P125-V146 VanDerWaalsContact CA-O 3.25Å; P125-V146 WeakPolarHBondContact CA-O 3.48Å; T126-V146 WeakPolarHBondContact CG2-O 3.48Å; T126-V146 PolarHBondContact N-O 3.39Å; T126-V146 PolarHBondContact OG1-O 3.25Å |
Retrieved 146 of 146 residues in 130.4 ms
(Link to these results)