| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.1 | Very low | 50 | Low | 248 Ų | 248 | 148 Ų | 148 | 100% | 1.222 | 87% | 0.865 | S | S | * | * | 0 | 125.3 | 0 | -79.8 | 163.5 | 157.8 | 0 | 0 | 108.1 | |||||
| 2 | S | 54.8 | Low | 50.2 | Low | 120 Ų | 120 | 145.2 Ų | 145.2 | 84% | 0.839 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -62 | 137.5 | -160.7 | -48.8 | 0 | 0 | 0 | 0 | 114.1 | L4 | S2-L4 PolarHBondContact O-N 2.93Š|
| 3 | K | 47.7 | Very low | 50.7 | Low | 206 Ų | 206 | 138.8 Ų | 138.8 | 90% | 0.896 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 128.1 | 175.7 | -76 | 179.2 | 175 | -174.1 | 0 | 110.7 | ||
| 4 | L | 47.9 | Very low | 51.7 | Low | 164 Ų | 164 | 143.1 Ų | 143.1 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.6 | 169.8 | -99 | 89.1 | 0 | 0 | 0 | 110.2 | S2 | S2-L4 PolarHBondContact O-N 2.93Š|
| 5 | P | 55.2 | Low | 53.1 | Low | 121 Ų | 121 | 146.5 Ų | 146.5 | 79% | 0.786 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 131.1 | 174.6 | 29.4 | -31.5 | 0 | 0 | 0 | 110.8 | S7 | P5-S7 PolarHBondContact O-N 2.87Š|
| 6 | D | 53.8 | Low | 54.4 | Low | 163 Ų | 163 | 152.4 Ų | 152.4 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 122.5 | 173.9 | -86.2 | -52.4 | 0 | 0 | 0 | 112 | K8 | D6-K8 PolarHBondContact O-N 3.38Å; D6-K8 VanDerWaalsContact O-N 3.13Å |
| 7 | S | 50.1 | Low | 55.5 | Low | 113 Ų | 113 | 153.6 Ų | 153.6 | 79% | 0.79 | 84% | 0.836 | S | S | * | * | trans | -60.6 | 111.6 | 174 | 55.8 | 0 | 0 | 0 | 0 | 110.1 | P5 | P5-S7 PolarHBondContact O-N 2.87Š| ||
| 8 | K | 47.7 | Very low | 57 | Low | 197 Ų | 197 | 148.6 Ų | 148.6 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 131.6 | 168 | -92 | -178.8 | 176.7 | 172.6 | 0 | 109.6 | D6 A10 | D6-K8 PolarHBondContact O-N 3.38Å; D6-K8 VanDerWaalsContact O-N 3.13Å; K8-A10 PolarHBondContact O-N 3.21Å |
| 9 | P | 47.1 | Very low | 58.5 | Low | 115 Ų | 115 | 142.2 Ų | 142.2 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 132 | -177.5 | 25.8 | -32.8 | 0 | 0 | 0 | 110.2 | G11 | P9-G11 PolarHBondContact O-N 3.46Š|
| 10 | A | 50.3 | Low | 59.9 | Low | 104 Ų | 104 | 136.5 Ų | 136.5 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 119.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K8 S12 | K8-A10 PolarHBondContact O-N 3.21Å; A10-S12 PolarHBondContact O-N 3.02Å |
| 11 | G | 48.5 | Very low | 60.9 | Low | 77 Ų | 77 | 130.1 Ų | 130.1 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.4 | 51.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | P9 G13 | P9-G11 PolarHBondContact O-N 3.46Å; G11-G13 PolarHBondContact O-N 3.29Å |
| 12 | S | 52.4 | Low | 62.7 | Low | 114 Ų | 114 | 119.5 Ų | 119.5 | 80% | 0.797 | 67% | 0.671 | S | S | * | * | trans | -75.4 | 56.6 | 158.5 | 62.1 | 0 | 0 | 0 | 0 | 110.9 | A10 R14 | A10-S12 PolarHBondContact O-N 3.02Å; S12-R14 PolarHBondContact O-N 2.86Å; S12-R14 VanDerWaalsContact O-N 3.11Å | ||
| 13 | G | 55.8 | Low | 64.3 | Low | 62 Ų | 62 | 118.1 Ų | 118.1 | 64% | 0.639 | 65% | 0.652 | S | S | * | * | trans | -56 | 120.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | G11 K15 | G11-G13 PolarHBondContact O-N 3.29Å; G13-K15 PolarHBondContact O-N 3.34Å | ||
| 14 | R | 65.3 | Low | 66.4 | Low | 200 Ų | 200 | 110.6 Ų | 110.6 | 76% | 0.755 | 62% | 0.619 | S | S | * | * | trans | -53.1 | 113.4 | 179 | 179.1 | 173.4 | 168.3 | 164.8 | -3.2 | 108.8 | S12 R16 | S12-R14 PolarHBondContact O-N 2.86Å; S12-R14 VanDerWaalsContact O-N 3.11Å; R14-R16 PolarHBondContact O-N 2.87Å | ||
| 15 | K | 72.4 | Confident | 68.4 | Low | 194 Ų | 194 | 105.4 Ų | 105.4 | 84% | 0.843 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128.7 | 179.2 | -69.3 | -174.2 | -179.7 | -179.8 | 0 | 109.1 | G13 K17 | G13-K15 PolarHBondContact O-N 3.34Å; K15-K17 PolarHBondContact O-N 3.29Å |
| 16 | R | 73.6 | Confident | 70.2 | Confident | 241 Ų | 241 | 103 Ų | 103 | 91% | 0.909 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 122.5 | 178.2 | -178.4 | 177.4 | 177.7 | 165.8 | 0.6 | 108.6 | R14 A18 | R14-R16 PolarHBondContact O-N 2.87Å; R16-A18 PolarHBondContact O-N 3.42Å |
| 17 | K | 74.4 | Confident | 72.2 | Confident | 173 Ų | 173 | 95.5 Ų | 95.5 | 75% | 0.752 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 118.2 | 171 | -66 | -170.7 | 174.7 | -169.3 | 0 | 108.6 | K15 | K15-K17 PolarHBondContact O-N 3.29Š|
| 18 | A | 81.1 | Confident | 74.3 | Confident | 62 Ų | 62 | 90.3 Ų | 90.3 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 117.4 | 176 | 0 | 0 | 0 | 0 | 0 | 109 | R16 V75 | R16-A18 PolarHBondContact O-N 3.42Å; A18-V75 HydrophobicContact CB-CG1 3.57Å; A18-V75 HydrophobicContact CB-CG2 4.3Å |
| 19 | L | 86.2 | Confident | 76.5 | Confident | 28 Ų | 28 | 84.2 Ų | 84.2 | 15% | 0.147 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -79.9 | 134.4 | -179.9 | -62.7 | 168.9 | 0 | 0 | 0 | 110.6 | E23 K24 I46 T50 I54 | L19-E23 WeakPolarHBondContact CA-OE2 3.5Å; L19-E23 HydrophobicContact CB-CB 4.48Å; L19-E23 HydrophobicContact CD2-CB 4.45Å; L19-K24 HydrophobicContact CB-CG 4.15Å; L19-K24 WeakPolarHBondContact O-CE 3.4Å; L19-I46 HydrophobicContact CD1-CD1 3.77Å; L19-I46 HydrophobicContact CD1-CG1 4.41Å; L19-I46 HydrophobicContact CD1-CG2 4.38Å; L19-I46 HydrophobicContact CD2-CD1 3.71Å; L19-I46 HydrophobicContact CD2-CG1 4.28Å; L19-I46 HydrophobicContact CG-CD1 4.42Å; L19-T50 HydrophobicContact CD1-CG2 3.84Å; L19-I54 HydrophobicContact CD1-CD1 3.84Å |
| 20 | T | 85.8 | Confident | 78.8 | Confident | 27 Ų | 27 | 81.6 Ų | 81.6 | 17% | 0.166 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 163.8 | 173.8 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | G22 E23 K24 V75 | T20-G22 PolarHBondContact O-N 3.32Å; T20-G22 PolarHBondContact OG1-N 3.36Å; T20-E23 PolarHBondContact N-OE2 3.33Å; T20-E23 PolarHBondContact O-N 3.46Å; T20-E23 WeakPolarHBondContact OG1-CG 3.38Å; T20-E23 PolarHBondContact OG1-N 2.96Å; T20-K24 WeakPolarHBondContact O-CG 3.46Å; T20-K24 PolarHBondContact O-N 2.85Å; T20-V75 HydrophobicContact CG2-CG2 4.24Å |
| 21 | V | 82.5 | Confident | 81 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 2% | 0.024 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | K24 F25 T64 C65 | V21-K24 PolarHBondContact O-N 3.43Å; V21-F25 WeakPolarHBondContact O-CB 3.43Å; V21-F25 PolarHBondContact O-N 3.4Å; V21-T64 HydrophobicContact CG1-CG2 4.01Å; V21-T64 HydrophobicContact CG2-CG2 4.35Å; V21-C65 VanDerWaalsContact CG1-SG 3.59Å |
| 22 | G | 83.9 | Confident | 83.2 | Confident | 25 Ų | 25 | 79 Ų | 79 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.8 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T20 K24 F25 E26 | T20-G22 PolarHBondContact O-N 3.32Å; T20-G22 PolarHBondContact OG1-N 3.36Å; G22-K24 VanDerWaalsContact C-N 3.32Å; G22-K24 PolarHBondContact O-N 3.48Å; G22-F25 PolarHBondContact O-N 3Å; G22-E26 PolarHBondContact O-N 3.22Å |
| 23 | E | 89.4 | Confident | 85.3 | Confident | 91 Ų | 91 | 80.5 Ų | 80.5 | 43% | 0.425 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 177 | -73.7 | 174.1 | 130.9 | 0 | 0 | 111.8 | L19 T20 F25 E26 I27 | L19-E23 WeakPolarHBondContact CA-OE2 3.5Å; L19-E23 HydrophobicContact CB-CB 4.48Å; L19-E23 HydrophobicContact CD2-CB 4.45Å; T20-E23 PolarHBondContact N-OE2 3.33Å; T20-E23 PolarHBondContact O-N 3.46Å; T20-E23 WeakPolarHBondContact OG1-CG 3.38Å; T20-E23 PolarHBondContact OG1-N 2.96Å; E23-F25 VanDerWaalsContact C-N 3.33Å; E23-F25 PolarHBondContact O-N 3.16Å; E23-E26 PolarHBondContact O-N 3.41Å; E23-I27 WeakPolarHBondContact O-CD1 3.37Å; E23-I27 VanDerWaalsContact O-CG1 3.3Å; E23-I27 WeakPolarHBondContact O-CG1 3.36Å; E23-I27 PolarHBondContact O-N 2.86Å |
| 24 | K | 91.2 | Very high | 87.1 | Confident | 48 Ų | 48 | 84.5 Ų | 84.5 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 176.6 | -66.4 | 174.5 | -170.6 | 170.5 | 0 | 111.8 | L19 T20 V21 G22 I27 L28 I54 I61 | L19-K24 HydrophobicContact CB-CG 4.15Å; L19-K24 WeakPolarHBondContact O-CE 3.4Å; T20-K24 WeakPolarHBondContact O-CG 3.46Å; T20-K24 PolarHBondContact O-N 2.85Å; V21-K24 PolarHBondContact O-N 3.43Å; G22-K24 VanDerWaalsContact C-N 3.32Å; G22-K24 PolarHBondContact O-N 3.48Å; K24-I27 WeakPolarHBondContact O-CB 3.35Å; K24-I27 PolarHBondContact O-N 3Å; K24-L28 WeakPolarHBondContact O-CG 3.25Å; K24-L28 PolarHBondContact O-N 2.86Å; K24-I54 HydrophobicContact CB-CG2 4.24Å; K24-I54 HydrophobicContact CD-CG1 4.49Å; K24-I54 HydrophobicContact CG-CD1 3.95Å; K24-I54 HydrophobicContact CG-CG1 4.06Å; K24-I61 HydrophobicContact CB-CD1 4.15Å; K24-I61 HydrophobicContact CB-CG2 3.94Å; K24-I61 HydrophobicContact CD-CD1 4.25Å |
| 25 | F | 90.7 | Very high | 88.5 | Confident | 54 Ų | 54 | 77.7 Ų | 77.7 | 24% | 0.237 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 177.4 | -177 | -114.8 | 0 | 0 | 0 | 112.1 | V21 G22 E23 I27 L28 K29 I61 K62 C65 | V21-F25 WeakPolarHBondContact O-CB 3.43Å; V21-F25 PolarHBondContact O-N 3.4Å; G22-F25 PolarHBondContact O-N 3Å; E23-F25 VanDerWaalsContact C-N 3.33Å; E23-F25 PolarHBondContact O-N 3.16Å; F25-I27 VanDerWaalsContact C-N 3.32Å; F25-I27 PolarHBondContact O-N 3.3Å; F25-L28 WeakPolarHBondContact O-CB 3.4Å; F25-L28 PolarHBondContact O-N 2.8Å; F25-L28 VanDerWaalsContact O-N 3.09Å; F25-K29 HydrophobicContact CE1-CD 4.37Å; F25-K29 PolarHBondContact O-N 3.07Å; F25-I61 HydrophobicContact CB-CG2 4.33Å; F25-K62 HydrophobicContact CD2-CG 4.29Å; F25-K62 HydrophobicContact CE2-CG 4.06Å; F25-C65 WeakPolarHBondContact CB-SG 3.41Å; F25-C65 HydrophobicContact CD2-CB 4.15Å; F25-C65 HydrophobicContact CE2-CB 4.48Å; F25-C65 HydrophobicContact CG-CB 4.22Å |
| 26 | E | 92.1 | Very high | 89.6 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.6 | -37.9 | 173.9 | -169.1 | 55.9 | -139.9 | 0 | 0 | 111.8 | G22 E23 L28 K29 R30 R33 | G22-E26 PolarHBondContact O-N 3.22Å; E23-E26 PolarHBondContact O-N 3.41Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.41Å; E26-K29 PolarHBondContact O-N 3.27Å; E26-K29 IonicContact OE2-NZ 3.77Å; E26-R30 WeakPolarHBondContact O-CG 3.16Å; E26-R30 PolarHBondContact O-N 3.11Å; E26-R33 IonicContact OE1-CZ 3.82Å; E26-R33 IonicContact OE1-NH1 3.02Å; E26-R33 PolarHBondContact OE1-NH1 3.49Å; E26-R33 IonicContact OE1-NH2 3.96Å |
| 27 | I | 95.1 | Very high | 90.6 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.1 | -38.6 | 171.5 | -69.5 | 159.3 | 0 | 0 | 0 | 111.3 | E23 K24 F25 R30 Y31 I40 T44 I46 L51 I54 | E23-I27 WeakPolarHBondContact O-CD1 3.37Å; E23-I27 VanDerWaalsContact O-CG1 3.3Å; E23-I27 WeakPolarHBondContact O-CG1 3.36Å; E23-I27 PolarHBondContact O-N 2.86Å; K24-I27 WeakPolarHBondContact O-CB 3.35Å; K24-I27 PolarHBondContact O-N 3Å; F25-I27 VanDerWaalsContact C-N 3.32Å; F25-I27 PolarHBondContact O-N 3.3Å; I27-R30 WeakPolarHBondContact O-CB 3.43Å; I27-R30 PolarHBondContact O-N 2.87Å; I27-Y31 HydrophobicContact CG2-CD2 4.12Å; I27-Y31 HydrophobicContact CG2-CE2 3.97Å; I27-Y31 WeakPolarHBondContact O-CD2 3.49Å; I27-Y31 PolarHBondContact O-N 2.92Å; I27-Y31 VanDerWaalsContact O-N 3.16Å; I27-I40 HydrophobicContact CG2-CG2 4.32Å; I27-T44 HydrophobicContact CG1-CG2 4.4Å; I27-I46 HydrophobicContact CD1-CD1 3.31Å; I27-I46 HydrophobicContact CG1-CD1 4.33Å; I27-L51 HydrophobicContact CD1-CD2 4.09Å; I27-L51 HydrophobicContact CG1-CD2 4.32Å; I27-L51 HydrophobicContact CG2-CD2 3.66Å; I27-I54 HydrophobicContact CB-CG2 4.27Å; I27-I54 HydrophobicContact CD1-CD1 3.66Å; I27-I54 HydrophobicContact CG2-CD1 4.45Å; I27-I54 HydrophobicContact CG2-CG2 3.85Å |
| 28 | L | 94.4 | Very high | 91.6 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 175.5 | -67.1 | 174 | 0 | 0 | 0 | 112 | K24 F25 E26 R30 Y31 E32 I54 A58 I61 K62 | K24-L28 WeakPolarHBondContact O-CG 3.25Å; K24-L28 PolarHBondContact O-N 2.86Å; F25-L28 WeakPolarHBondContact O-CB 3.4Å; F25-L28 PolarHBondContact O-N 2.8Å; F25-L28 VanDerWaalsContact O-N 3.09Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.41Å; L28-R30 VanDerWaalsContact C-N 3.27Å; L28-R30 PolarHBondContact O-N 3.3Å; L28-Y31 WeakPolarHBondContact O-CB 3.44Å; L28-Y31 PolarHBondContact O-N 2.99Å; L28-Y31 VanDerWaalsContact O-N 3.09Å; L28-E32 WeakPolarHBondContact O-CG 3.47Å; L28-E32 PolarHBondContact O-N 2.77Å; L28-I54 HydrophobicContact CD2-CG2 3.94Å; L28-I54 HydrophobicContact CG-CG2 4.05Å; L28-A58 HydrophobicContact CD1-CB 4.06Å; L28-A58 HydrophobicContact CD2-CB 3.65Å; L28-A58 HydrophobicContact CG-CB 4.5Å; L28-I61 HydrophobicContact CD1-CB 3.78Å; L28-I61 HydrophobicContact CD1-CD1 4.26Å; L28-I61 HydrophobicContact CD1-CG2 3.65Å; L28-K62 HydrophobicContact CD1-CG 4.3Å |
| 29 | K | 94.6 | Very high | 92.3 | Very high | 68 Ų | 68 | 63.7 Ų | 63.7 | 30% | 0.296 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -37.8 | 173.8 | -70.1 | -175.4 | -173.3 | 168.7 | 0 | 112.4 | F25 E26 Y31 E32 R33 | F25-K29 HydrophobicContact CE1-CD 4.37Å; F25-K29 PolarHBondContact O-N 3.07Å; E26-K29 PolarHBondContact O-N 3.27Å; E26-K29 IonicContact OE2-NZ 3.77Å; K29-Y31 VanDerWaalsContact C-N 3.34Å; K29-E32 WeakPolarHBondContact O-CB 3.37Å; K29-E32 PolarHBondContact O-N 3.02Å; K29-R33 WeakPolarHBondContact O-CG 3.42Å; K29-R33 PolarHBondContact O-N 3.14Å |
| 30 | R | 96 | Very high | 92.8 | Very high | 60 Ų | 60 | 62.4 Ų | 62.4 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -41.8 | 173.5 | -69.1 | 176 | 172.7 | -106.2 | 7 | 112 | E26 I27 L28 E32 R33 E35 I40 | E26-R30 WeakPolarHBondContact O-CG 3.16Å; E26-R30 PolarHBondContact O-N 3.11Å; I27-R30 WeakPolarHBondContact O-CB 3.43Å; I27-R30 PolarHBondContact O-N 2.87Å; L28-R30 VanDerWaalsContact C-N 3.27Å; L28-R30 PolarHBondContact O-N 3.3Å; R30-E32 VanDerWaalsContact C-N 3.33Å; R30-E32 PolarHBondContact O-N 3.12Å; R30-R33 PolarHBondContact O-N 2.97Å; R30-E35 HydrophobicContact CB-CB 4.43Å; R30-E35 HydrophobicContact CB-CG 4.46Å; R30-E35 WeakPolarHBondContact CG-OE1 3.39Å; R30-E35 WeakPolarHBondContact CG-OE2 3.48Å; R30-E35 IonicContact CZ-OE2 3.87Å; R30-E35 IonicContact NH1-OE2 2.9Å; R30-E35 PolarHBondContact NH1-OE2 2.93Å; R30-E35 WeakPolarHBondContact O-CB 3.2Å; R30-E35 PolarHBondContact O-N 3.47Å; R30-E35 VanDerWaalsContact O-N 3.12Å; R30-I40 HydrophobicContact CB-CD1 3.92Å; R30-I40 HydrophobicContact CB-CG1 3.99Å |
| 31 | Y | 96.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 173 | -83 | -61.2 | 0 | 0 | 0 | 112.9 | I27 L28 K29 R33 N34 T37 I40 L51 R55 | I27-Y31 HydrophobicContact CG2-CD2 4.12Å; I27-Y31 HydrophobicContact CG2-CE2 3.97Å; I27-Y31 WeakPolarHBondContact O-CD2 3.49Å; I27-Y31 PolarHBondContact O-N 2.92Å; I27-Y31 VanDerWaalsContact O-N 3.16Å; L28-Y31 WeakPolarHBondContact O-CB 3.44Å; L28-Y31 PolarHBondContact O-N 2.99Å; L28-Y31 VanDerWaalsContact O-N 3.09Å; K29-Y31 VanDerWaalsContact C-N 3.34Å; Y31-R33 VanDerWaalsContact C-N 3.3Å; Y31-R33 PolarHBondContact O-N 3.06Å; Y31-N34 WeakPolarHBondContact O-CA 3.24Å; Y31-N34 PolarHBondContact O-N 3.37Å; Y31-T37 PolarHBondContact OH-OG1 2.92Å; Y31-I40 HydrophobicContact CD1-CD1 3.75Å; Y31-I40 HydrophobicContact CD2-CD1 3.93Å; Y31-I40 HydrophobicContact CE1-CD1 3.64Å; Y31-I40 HydrophobicContact CE2-CD1 3.85Å; Y31-I40 HydrophobicContact CG-CD1 3.89Å; Y31-L51 HydrophobicContact CE2-CB 4.42Å; Y31-L51 WeakPolarHBondContact OH-CB 3.35Å; Y31-R55 HydrophobicContact CD2-CB 4.41Å; Y31-R55 HydrophobicContact CE2-CB 4.15Å |
| 32 | E | 94.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 70.8 Ų | 70.8 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.8 | -31 | 175.6 | -69.9 | 168.7 | 173.2 | 0 | 0 | 112.7 | L28 K29 R30 N34 K62 | L28-E32 WeakPolarHBondContact O-CG 3.47Å; L28-E32 PolarHBondContact O-N 2.77Å; K29-E32 WeakPolarHBondContact O-CB 3.37Å; K29-E32 PolarHBondContact O-N 3.02Å; R30-E32 VanDerWaalsContact C-N 3.33Å; R30-E32 PolarHBondContact O-N 3.12Å; E32-N34 PolarHBondContact O-N 3.12Å; E32-K62 WeakPolarHBondContact OE1-CE 3.45Å; E32-K62 IonicContact OE1-NZ 2.92Å; E32-K62 PolarHBondContact OE1-NZ 3.18Å |
| 33 | R | 95.6 | Very high | 94.4 | Very high | 146 Ų | 146 | 72.4 Ų | 72.4 | 55% | 0.551 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 5.1 | 170 | -65 | 169.9 | -172.3 | 130.6 | 0.5 | 113.2 | E26 K29 R30 Y31 E35 | E26-R33 IonicContact OE1-CZ 3.82Å; E26-R33 IonicContact OE1-NH1 3.02Å; E26-R33 PolarHBondContact OE1-NH1 3.49Å; E26-R33 IonicContact OE1-NH2 3.96Å; K29-R33 WeakPolarHBondContact O-CG 3.42Å; K29-R33 PolarHBondContact O-N 3.14Å; R30-R33 PolarHBondContact O-N 2.97Å; Y31-R33 VanDerWaalsContact C-N 3.3Å; Y31-R33 PolarHBondContact O-N 3.06Å; R33-E35 HydrophobicContact CB-CG 4.49Å; R33-E35 PolarHBondContact O-N 3.23Å |
| 34 | N | 93.5 | Very high | 94.4 | Very high | 146 Ų | 146 | 70.4 Ų | 70.4 | 78% | 0.781 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 26.3 | -175.8 | -57.9 | -59.4 | 0 | 0 | 0 | 114.4 | Y31 E32 | Y31-N34 WeakPolarHBondContact O-CA 3.24Å; Y31-N34 PolarHBondContact O-N 3.37Å; E32-N34 PolarHBondContact O-N 3.12Å |
| 35 | E | 95.6 | Very high | 94.4 | Very high | 56 Ų | 56 | 71 Ų | 71 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | trans | -61.4 | 140.2 | 170.7 | -70.3 | 175.3 | -140.3 | 0 | 0 | 110.1 | R30 R33 I40 | R30-E35 HydrophobicContact CB-CB 4.43Å; R30-E35 HydrophobicContact CB-CG 4.46Å; R30-E35 WeakPolarHBondContact CG-OE1 3.39Å; R30-E35 WeakPolarHBondContact CG-OE2 3.48Å; R30-E35 IonicContact CZ-OE2 3.87Å; R30-E35 IonicContact NH1-OE2 2.9Å; R30-E35 PolarHBondContact NH1-OE2 2.93Å; R30-E35 WeakPolarHBondContact O-CB 3.2Å; R30-E35 PolarHBondContact O-N 3.47Å; R30-E35 VanDerWaalsContact O-N 3.12Å; R33-E35 HydrophobicContact CB-CG 4.49Å; R33-E35 PolarHBondContact O-N 3.23Å; E35-I40 HydrophobicContact CB-CD1 4.22Å; E35-I40 HydrophobicContact CB-CG1 3.95Å | ||
| 36 | T | 95.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 69.5 Ų | 69.5 | 44% | 0.442 | 35% | 0.351 | S | S | . | . | trans | -71.6 | 150.5 | 177.2 | 80.8 | 0 | 0 | 0 | 0 | 110.4 | R38 D39 I40 | T36-R38 PolarHBondContact O-N 3.24Å; T36-R38 VanDerWaalsContact O-N 3.15Å; T36-D39 WeakPolarHBondContact CB-OD2 3.04Å; T36-D39 PolarHBondContact O-N 3.49Å; T36-D39 PolarHBondContact OG1-N 2.89Å; T36-D39 PolarHBondContact OG1-OD2 2.88Å; T36-I40 WeakPolarHBondContact O-CG1 3.32Å; T36-I40 PolarHBondContact O-N 3.17Å; T36-I40 VanDerWaalsContact O-N 3.09Å | ||
| 37 | T | 94.9 | Very high | 94.5 | Very high | 46 Ų | 46 | 73.1 Ų | 73.1 | 28% | 0.282 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -53.9 | -37.8 | 176 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | Y31 D39 I40 V41 E48 L51 | Y31-T37 PolarHBondContact OH-OG1 2.92Å; T37-D39 VanDerWaalsContact C-N 3.33Å; T37-D39 PolarHBondContact O-N 3.45Å; T37-I40 PolarHBondContact O-N 3.21Å; T37-V41 HydrophobicContact CG2-CG2 4.38Å; T37-V41 WeakPolarHBondContact O-CG2 3.37Å; T37-V41 PolarHBondContact O-N 3.44Å; T37-E48 HydrophobicContact CG2-CB 4.34Å; T37-E48 HydrophobicContact CG2-CG 4Å; T37-L51 HydrophobicContact CG2-CD1 4.03Å |
| 38 | R | 95 | Very high | 94.5 | Very high | 187 Ų | 187 | 78.2 Ų | 78.2 | 71% | 0.706 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.5 | -39.1 | 178.1 | -81.1 | -171.9 | -93 | 169.4 | -6.5 | 112.1 | T36 V41 K42 | T36-R38 PolarHBondContact O-N 3.24Å; T36-R38 VanDerWaalsContact O-N 3.15Å; R38-V41 PolarHBondContact O-N 2.86Å; R38-K42 WeakPolarHBondContact O-CG 2.99Å; R38-K42 PolarHBondContact O-N 3.05Å |
| 39 | D | 96 | Very high | 94.5 | Very high | 72 Ų | 72 | 81.7 Ų | 81.7 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.7 | -40.2 | 178.7 | -57.5 | -39.6 | 0 | 0 | 0 | 111.3 | T36 T37 V41 K42 A43 | T36-D39 WeakPolarHBondContact CB-OD2 3.04Å; T36-D39 PolarHBondContact O-N 3.49Å; T36-D39 PolarHBondContact OG1-N 2.89Å; T36-D39 PolarHBondContact OG1-OD2 2.88Å; T37-D39 VanDerWaalsContact C-N 3.33Å; T37-D39 PolarHBondContact O-N 3.45Å; D39-V41 VanDerWaalsContact C-N 3.34Å; D39-V41 PolarHBondContact O-N 3.37Å; D39-K42 PolarHBondContact O-N 2.97Å; D39-A43 WeakPolarHBondContact O-CB 3.46Å; D39-A43 PolarHBondContact O-N 3.43Å |
| 40 | I | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.3 | -59 | 172 | 0 | 0 | 0 | 110.9 | I27 R30 Y31 E35 T36 T37 A43 T44 L51 | I27-I40 HydrophobicContact CG2-CG2 4.32Å; R30-I40 HydrophobicContact CB-CD1 3.92Å; R30-I40 HydrophobicContact CB-CG1 3.99Å; Y31-I40 HydrophobicContact CD1-CD1 3.75Å; Y31-I40 HydrophobicContact CD2-CD1 3.93Å; Y31-I40 HydrophobicContact CE1-CD1 3.64Å; Y31-I40 HydrophobicContact CE2-CD1 3.85Å; Y31-I40 HydrophobicContact CG-CD1 3.89Å; E35-I40 HydrophobicContact CB-CD1 4.22Å; E35-I40 HydrophobicContact CB-CG1 3.95Å; T36-I40 WeakPolarHBondContact O-CG1 3.32Å; T36-I40 PolarHBondContact O-N 3.17Å; T36-I40 VanDerWaalsContact O-N 3.09Å; T37-I40 PolarHBondContact O-N 3.21Å; I40-A43 PolarHBondContact O-N 2.81Å; I40-T44 HydrophobicContact CG2-CG2 4.24Å; I40-T44 WeakPolarHBondContact O-CB 3.44Å; I40-T44 PolarHBondContact O-N 2.94Å; I40-T44 PolarHBondContact O-OG1 2.82Å; I40-L51 HydrophobicContact CB-CD1 4.02Å; I40-L51 HydrophobicContact CG2-CD1 3.72Å; I40-L51 HydrophobicContact CG2-CD2 3.75Å; I40-L51 HydrophobicContact CG2-CG 4.4Å |
| 41 | V | 96.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 78.1 Ų | 78.1 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 174.5 | 173.1 | 0 | 0 | 0 | 0 | 110.5 | T37 R38 D39 A43 G45 I46 E48 L51 | T37-V41 HydrophobicContact CG2-CG2 4.38Å; T37-V41 WeakPolarHBondContact O-CG2 3.37Å; T37-V41 PolarHBondContact O-N 3.44Å; R38-V41 PolarHBondContact O-N 2.86Å; D39-V41 VanDerWaalsContact C-N 3.34Å; D39-V41 PolarHBondContact O-N 3.37Å; V41-A43 VanDerWaalsContact C-N 3.33Å; V41-A43 PolarHBondContact O-N 3.27Å; V41-G45 WeakPolarHBondContact O-CA 3.35Å; V41-G45 PolarHBondContact O-N 3.49Å; V41-I46 WeakPolarHBondContact CG2-O 3.31Å; V41-E48 HydrophobicContact CG2-CG 3.52Å; V41-L51 HydrophobicContact CG2-CD1 3.55Å |
| 42 | K | 95.3 | Very high | 94.3 | Very high | 170 Ų | 170 | 86.6 Ų | 86.6 | 74% | 0.739 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.6 | -42 | 178.8 | -73.4 | 175.7 | -179.8 | 178.8 | 0 | 111.8 | R38 D39 | R38-K42 WeakPolarHBondContact O-CG 2.99Å; R38-K42 PolarHBondContact O-N 3.05Å; D39-K42 PolarHBondContact O-N 2.97Å |
| 43 | A | 93.4 | Very high | 94.3 | Very high | 58 Ų | 58 | 85.5 Ų | 85.5 | 48% | 0.479 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -75.6 | -33.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D39 I40 V41 | D39-A43 WeakPolarHBondContact O-CB 3.46Å; D39-A43 PolarHBondContact O-N 3.43Å; I40-A43 PolarHBondContact O-N 2.81Å; V41-A43 VanDerWaalsContact C-N 3.33Å; V41-A43 PolarHBondContact O-N 3.27Å |
| 44 | T | 91.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 78.9 Ų | 78.9 | 31% | 0.307 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -107 | -17.6 | -174.9 | 64 | 0 | 0 | 0 | 0 | 113.8 | I27 I40 I46 | I27-T44 HydrophobicContact CG1-CG2 4.4Å; I40-T44 HydrophobicContact CG2-CG2 4.24Å; I40-T44 WeakPolarHBondContact O-CB 3.44Å; I40-T44 PolarHBondContact O-N 2.94Å; I40-T44 PolarHBondContact O-OG1 2.82Å; T44-I46 HydrophobicContact CG2-CD1 4.48Å; T44-I46 PolarHBondContact O-N 2.98Å; T44-I46 WeakPolarHBondContact OG1-CB 3.41Å; T44-I46 PolarHBondContact OG1-N 2.88Å |
| 45 | G | 91.2 | Very high | 94.3 | Very high | 60 Ų | 60 | 78.9 Ų | 78.9 | 62% | 0.619 | 40% | 0.402 | S | S | * | . | trans | 68.1 | 12.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V41 | V41-G45 WeakPolarHBondContact O-CA 3.35Å; V41-G45 PolarHBondContact O-N 3.49Å | ||
| 46 | I | 91.5 | Very high | 94.2 | Very high | 23 Ų | 23 | 81.1 Ų | 81.1 | 12% | 0.118 | 42% | 0.424 | C | S | . | . | trans | -87.4 | 133.8 | -178.5 | -62.9 | 167.8 | 0 | 0 | 0 | 109.6 | L19 I27 V41 T44 T50 L51 | L19-I46 HydrophobicContact CD1-CD1 3.77Å; L19-I46 HydrophobicContact CD1-CG1 4.41Å; L19-I46 HydrophobicContact CD1-CG2 4.38Å; L19-I46 HydrophobicContact CD2-CD1 3.71Å; L19-I46 HydrophobicContact CD2-CG1 4.28Å; L19-I46 HydrophobicContact CG-CD1 4.42Å; I27-I46 HydrophobicContact CD1-CD1 3.31Å; I27-I46 HydrophobicContact CG1-CD1 4.33Å; V41-I46 WeakPolarHBondContact CG2-O 3.31Å; T44-I46 HydrophobicContact CG2-CD1 4.48Å; T44-I46 PolarHBondContact O-N 2.98Å; T44-I46 WeakPolarHBondContact OG1-CB 3.41Å; T44-I46 PolarHBondContact OG1-N 2.88Å; I46-T50 HydrophobicContact CG2-CG2 3.64Å; I46-L51 HydrophobicContact CB-CD2 3.93Å; I46-L51 HydrophobicContact CB-CG 4.35Å; I46-L51 HydrophobicContact CG2-CD2 3.67Å; I46-L51 HydrophobicContact CG2-CG 3.94Å | ||
| 47 | K | 92.5 | Very high | 94 | Very high | 147 Ų | 147 | 81.4 Ų | 81.4 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | trans | -62.8 | 145 | 179 | -63.8 | -179.2 | 179.3 | 178.4 | 0 | 111.5 | S49 T50 L51 | K47-S49 VanDerWaalsContact C-N 3.25Å; K47-S49 PolarHBondContact O-N 2.94Å; K47-S49 VanDerWaalsContact O-N 3.17Å; K47-T50 WeakPolarHBondContact O-CB 3.45Å; K47-T50 PolarHBondContact O-N 2.86Å; K47-L51 PolarHBondContact O-N 3.02Å; K47-L51 VanDerWaalsContact O-N 3.14Å | ||
| 48 | E | 94.7 | Very high | 93.9 | Very high | 111 Ų | 111 | 80.3 Ų | 80.3 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54 | -38.2 | -179.4 | -64.7 | -174.3 | 170.3 | 0 | 0 | 113.7 | T37 V41 T50 L51 R52 | T37-E48 HydrophobicContact CG2-CB 4.34Å; T37-E48 HydrophobicContact CG2-CG 4Å; V41-E48 HydrophobicContact CG2-CG 3.52Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 PolarHBondContact O-N 3.25Å; E48-L51 PolarHBondContact O-N 3.47Å; E48-R52 WeakPolarHBondContact O-CB 3.36Å; E48-R52 PolarHBondContact O-N 2.92Å |
| 49 | S | 94.2 | Very high | 93.7 | Very high | 78 Ų | 78 | 79.4 Ų | 79.4 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.1 | 57 | 0 | 0 | 0 | 0 | 112.8 | K47 T53 | K47-S49 VanDerWaalsContact C-N 3.25Å; K47-S49 PolarHBondContact O-N 2.94Å; K47-S49 VanDerWaalsContact O-N 3.17Å; S49-T53 PolarHBondContact O-N 3.49Å; S49-T53 VanDerWaalsContact O-N 3.14Å; S49-T53 PolarHBondContact O-OG1 3.01Å |
| 50 | T | 93.6 | Very high | 93.3 | Very high | 54 Ų | 54 | 83 Ų | 83 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 175.7 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | L19 I46 K47 E48 R52 T53 I54 | L19-T50 HydrophobicContact CD1-CG2 3.84Å; I46-T50 HydrophobicContact CG2-CG2 3.64Å; K47-T50 WeakPolarHBondContact O-CB 3.45Å; K47-T50 PolarHBondContact O-N 2.86Å; E48-T50 VanDerWaalsContact C-N 3.32Å; E48-T50 PolarHBondContact O-N 3.25Å; T50-R52 VanDerWaalsContact C-N 3.33Å; T50-R52 PolarHBondContact O-N 3.39Å; T50-T53 WeakPolarHBondContact O-CB 3.16Å; T50-T53 PolarHBondContact O-N 3.33Å; T50-I54 HydrophobicContact CG2-CD1 4.02Å; T50-I54 WeakPolarHBondContact O-CG1 3.33Å; T50-I54 PolarHBondContact O-N 3.49Å |
| 51 | L | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 83.8 Ų | 83.8 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -61 | -42.2 | 176.9 | -61.8 | 179.9 | 0 | 0 | 0 | 111.9 | I27 Y31 T37 I40 V41 I46 K47 E48 T53 I54 R55 | I27-L51 HydrophobicContact CD1-CD2 4.09Å; I27-L51 HydrophobicContact CG1-CD2 4.32Å; I27-L51 HydrophobicContact CG2-CD2 3.66Å; Y31-L51 HydrophobicContact CE2-CB 4.42Å; Y31-L51 WeakPolarHBondContact OH-CB 3.35Å; T37-L51 HydrophobicContact CG2-CD1 4.03Å; I40-L51 HydrophobicContact CB-CD1 4.02Å; I40-L51 HydrophobicContact CG2-CD1 3.72Å; I40-L51 HydrophobicContact CG2-CD2 3.75Å; I40-L51 HydrophobicContact CG2-CG 4.4Å; V41-L51 HydrophobicContact CG2-CD1 3.55Å; I46-L51 HydrophobicContact CB-CD2 3.93Å; I46-L51 HydrophobicContact CB-CG 4.35Å; I46-L51 HydrophobicContact CG2-CD2 3.67Å; I46-L51 HydrophobicContact CG2-CG 3.94Å; K47-L51 PolarHBondContact O-N 3.02Å; K47-L51 VanDerWaalsContact O-N 3.14Å; E48-L51 PolarHBondContact O-N 3.47Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 PolarHBondContact O-N 3.45Å; L51-I54 WeakPolarHBondContact O-CB 3.3Å; L51-I54 PolarHBondContact O-N 3.38Å; L51-R55 WeakPolarHBondContact O-CB 3.3Å; L51-R55 PolarHBondContact O-N 3.37Å |
| 52 | R | 95 | Very high | 92.4 | Very high | 201 Ų | 201 | 85.8 Ų | 85.8 | 76% | 0.758 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59 | -42.7 | 174.7 | -172.9 | 177.5 | -178 | 174.9 | 1 | 111.9 | E48 T50 R55 S56 | E48-R52 WeakPolarHBondContact O-CB 3.36Å; E48-R52 PolarHBondContact O-N 2.92Å; T50-R52 VanDerWaalsContact C-N 3.33Å; T50-R52 PolarHBondContact O-N 3.39Å; R52-R55 PolarHBondContact O-N 3.04Å; R52-S56 PolarHBondContact O-N 3.34Å |
| 53 | T | 94.8 | Very high | 91.8 | Very high | 80 Ų | 80 | 84.2 Ų | 84.2 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -40 | 177.1 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | S49 T50 L51 S56 N57 | S49-T53 PolarHBondContact O-N 3.49Å; S49-T53 VanDerWaalsContact O-N 3.14Å; S49-T53 PolarHBondContact O-OG1 3.01Å; T50-T53 WeakPolarHBondContact O-CB 3.16Å; T50-T53 PolarHBondContact O-N 3.33Å; L51-T53 VanDerWaalsContact C-N 3.31Å; L51-T53 PolarHBondContact O-N 3.45Å; T53-S56 PolarHBondContact O-N 2.94Å; T53-N57 PolarHBondContact O-N 2.91Å; T53-N57 PolarHBondContact O-ND2 3.44Å |
| 54 | I | 93.8 | Very high | 91 | Very high | 7 Ų | 7 | 83.9 Ų | 83.9 | 4% | 0.036 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 175.7 | -71 | 167.4 | 0 | 0 | 0 | 110 | L19 K24 I27 L28 T50 L51 S56 N57 A58 I61 | L19-I54 HydrophobicContact CD1-CD1 3.84Å; K24-I54 HydrophobicContact CB-CG2 4.24Å; K24-I54 HydrophobicContact CD-CG1 4.49Å; K24-I54 HydrophobicContact CG-CD1 3.95Å; K24-I54 HydrophobicContact CG-CG1 4.06Å; I27-I54 HydrophobicContact CB-CG2 4.27Å; I27-I54 HydrophobicContact CD1-CD1 3.66Å; I27-I54 HydrophobicContact CG2-CD1 4.45Å; I27-I54 HydrophobicContact CG2-CG2 3.85Å; L28-I54 HydrophobicContact CD2-CG2 3.94Å; L28-I54 HydrophobicContact CG-CG2 4.05Å; T50-I54 HydrophobicContact CG2-CD1 4.02Å; T50-I54 WeakPolarHBondContact O-CG1 3.33Å; T50-I54 PolarHBondContact O-N 3.49Å; L51-I54 WeakPolarHBondContact O-CB 3.3Å; L51-I54 PolarHBondContact O-N 3.38Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.37Å; I54-N57 CarbonylContact O-C 3.59Å; I54-N57 PolarHBondContact O-N 3.26Å; I54-N57 VanDerWaalsContact O-N 3.09Å; I54-A58 PolarHBondContact O-N 3.5Å; I54-I61 HydrophobicContact CB-CD1 4.47Å; I54-I61 HydrophobicContact CG2-CD1 3.99Å; I54-I61 WeakPolarHBondContact O-CD1 3.48Å |
| 55 | R | 94.2 | Very high | 90 | Very high | 147 Ų | 147 | 83.4 Ų | 83.4 | 56% | 0.555 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | 177 | -173 | 175.4 | -178.4 | 161.2 | 1.1 | 112.6 | Y31 L51 R52 N57 A58 | Y31-R55 HydrophobicContact CD2-CB 4.41Å; Y31-R55 HydrophobicContact CE2-CB 4.15Å; L51-R55 WeakPolarHBondContact O-CB 3.3Å; L51-R55 PolarHBondContact O-N 3.37Å; R52-R55 PolarHBondContact O-N 3.04Å; R55-N57 PolarHBondContact O-N 2.94Å; R55-A58 VanDerWaalsContact O-CB 3.29Å; R55-A58 WeakPolarHBondContact O-CB 3.33Å; R55-A58 PolarHBondContact O-N 2.92Å |
| 56 | S | 94.9 | Very high | 88.9 | Confident | 103 Ų | 103 | 86.2 Ų | 86.2 | 72% | 0.72 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.2 | -24.4 | 177 | -170.4 | 0 | 0 | 0 | 0 | 113.4 | R52 T53 I54 | R52-S56 PolarHBondContact O-N 3.34Å; T53-S56 PolarHBondContact O-N 2.94Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 3.37Å |
| 57 | N | 91.5 | Very high | 87.4 | Confident | 77 Ų | 77 | 88.6 Ų | 88.6 | 41% | 0.412 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 20.4 | 179.3 | -69.8 | -30.1 | 0 | 0 | 0 | 112.4 | T53 I54 R55 E59 K60 I61 | T53-N57 PolarHBondContact O-N 2.91Å; T53-N57 PolarHBondContact O-ND2 3.44Å; I54-N57 CarbonylContact O-C 3.59Å; I54-N57 PolarHBondContact O-N 3.26Å; I54-N57 VanDerWaalsContact O-N 3.09Å; R55-N57 PolarHBondContact O-N 2.94Å; N57-E59 PolarHBondContact O-N 3.35Å; N57-K60 PolarHBondContact O-N 3.21Å; N57-I61 HydrophobicContact CB-CD1 3.88Å; N57-I61 HydrophobicContact CB-CG1 4.3Å; N57-I61 WeakPolarHBondContact O-CD1 3.39Å; N57-I61 VanDerWaalsContact O-CG1 3.29Å; N57-I61 WeakPolarHBondContact O-CG1 3.38Å; N57-I61 PolarHBondContact O-N 2.85Å |
| 58 | A | 92.9 | Very high | 85.5 | Confident | 24 Ų | 24 | 84.9 Ų | 84.9 | 20% | 0.198 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -54.8 | -50.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113 | L28 I54 R55 K60 I61 K62 | L28-A58 HydrophobicContact CD1-CB 4.06Å; L28-A58 HydrophobicContact CD2-CB 3.65Å; L28-A58 HydrophobicContact CG-CB 4.5Å; I54-A58 PolarHBondContact O-N 3.5Å; R55-A58 VanDerWaalsContact O-CB 3.29Å; R55-A58 WeakPolarHBondContact O-CB 3.33Å; R55-A58 PolarHBondContact O-N 2.92Å; A58-K60 PolarHBondContact O-N 3.35Å; A58-I61 PolarHBondContact O-N 3.45Å; A58-K62 WeakPolarHBondContact O-CB 3.49Å; A58-K62 VanDerWaalsContact O-CG 3.26Å; A58-K62 WeakPolarHBondContact O-CG 3.26Å; A58-K62 PolarHBondContact O-N 3.45Å |
| 59 | E | 91 | Very high | 83.6 | Confident | 167 Ų | 167 | 83.4 Ų | 83.4 | 78% | 0.78 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58.2 | -48.6 | -179.8 | -67.9 | 176.8 | -179 | 0 | 0 | 111.9 | N57 I61 K62 Q63 | N57-E59 PolarHBondContact O-N 3.35Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-I61 PolarHBondContact O-N 3.25Å; E59-K62 PolarHBondContact O-N 3.17Å; E59-Q63 WeakPolarHBondContact O-CB 3.29Å; E59-Q63 PolarHBondContact O-N 2.94Å |
| 60 | K | 86.6 | Confident | 81.6 | Confident | 148 Ų | 148 | 84.7 Ų | 84.7 | 64% | 0.643 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.6 | -41.2 | 178.9 | -173.1 | 170.3 | -174.9 | 166.1 | 0 | 112.4 | N57 A58 T64 | N57-K60 PolarHBondContact O-N 3.21Å; A58-K60 PolarHBondContact O-N 3.35Å; K60-T64 WeakPolarHBondContact O-CB 3.44Å; K60-T64 PolarHBondContact O-N 3.35Å; K60-T64 PolarHBondContact O-OG1 3.17Å |
| 61 | I | 86.4 | Confident | 79.6 | Confident | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.082 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 177.8 | -67.3 | 161.8 | 0 | 0 | 0 | 109.9 | K24 F25 L28 I54 N57 A58 E59 T64 C65 | K24-I61 HydrophobicContact CB-CD1 4.15Å; K24-I61 HydrophobicContact CB-CG2 3.94Å; K24-I61 HydrophobicContact CD-CD1 4.25Å; F25-I61 HydrophobicContact CB-CG2 4.33Å; L28-I61 HydrophobicContact CD1-CB 3.78Å; L28-I61 HydrophobicContact CD1-CD1 4.26Å; L28-I61 HydrophobicContact CD1-CG2 3.65Å; I54-I61 HydrophobicContact CB-CD1 4.47Å; I54-I61 HydrophobicContact CG2-CD1 3.99Å; I54-I61 WeakPolarHBondContact O-CD1 3.48Å; N57-I61 HydrophobicContact CB-CD1 3.88Å; N57-I61 HydrophobicContact CB-CG1 4.3Å; N57-I61 WeakPolarHBondContact O-CD1 3.39Å; N57-I61 VanDerWaalsContact O-CG1 3.29Å; N57-I61 WeakPolarHBondContact O-CG1 3.38Å; N57-I61 PolarHBondContact O-N 2.85Å; A58-I61 PolarHBondContact O-N 3.45Å; E59-I61 VanDerWaalsContact C-N 3.34Å; E59-I61 PolarHBondContact O-N 3.25Å; I61-T64 PolarHBondContact O-N 3.33Å; I61-C65 PolarHBondContact O-N 3Å |
| 62 | K | 86.7 | Confident | 77.6 | Confident | 80 Ų | 80 | 87.3 Ų | 87.3 | 35% | 0.348 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 176.7 | -72.1 | 176.9 | 176.1 | -170.6 | 0 | 111.7 | F25 L28 E32 A58 E59 T64 C65 V66 | F25-K62 HydrophobicContact CD2-CG 4.29Å; F25-K62 HydrophobicContact CE2-CG 4.06Å; L28-K62 HydrophobicContact CD1-CG 4.3Å; E32-K62 WeakPolarHBondContact OE1-CE 3.45Å; E32-K62 IonicContact OE1-NZ 2.92Å; E32-K62 PolarHBondContact OE1-NZ 3.18Å; A58-K62 WeakPolarHBondContact O-CB 3.49Å; A58-K62 VanDerWaalsContact O-CG 3.26Å; A58-K62 WeakPolarHBondContact O-CG 3.26Å; A58-K62 PolarHBondContact O-N 3.45Å; E59-K62 PolarHBondContact O-N 3.17Å; K62-T64 VanDerWaalsContact C-N 3.29Å; K62-T64 PolarHBondContact O-N 3.47Å; K62-C65 WeakPolarHBondContact O-CB 3.5Å; K62-C65 PolarHBondContact O-N 3.41Å; K62-C65 VanDerWaalsContact O-N 3.15Å; K62-V66 WeakPolarHBondContact O-CG2 3.4Å; K62-V66 PolarHBondContact O-N 2.98Å |
| 63 | Q | 83.6 | Confident | 75.5 | Confident | 138 Ų | 138 | 84.8 Ų | 84.8 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.4 | -40.1 | 177.6 | -170.1 | -178.1 | 12.8 | 0 | 0 | 112.1 | E59 V66 S67 | E59-Q63 WeakPolarHBondContact O-CB 3.29Å; E59-Q63 PolarHBondContact O-N 2.94Å; Q63-V66 PolarHBondContact O-N 3.5Å; Q63-S67 PolarHBondContact O-N 3.27Å; Q63-S67 PolarHBondContact O-OG 3.13Å |
| 64 | T | 75.7 | Confident | 73.6 | Confident | 50 Ų | 50 | 82.6 Ų | 82.6 | 31% | 0.307 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.6 | -37 | 177.4 | -52 | 0 | 0 | 0 | 0 | 111.8 | V21 K60 I61 K62 | V21-T64 HydrophobicContact CG1-CG2 4.01Å; V21-T64 HydrophobicContact CG2-CG2 4.35Å; K60-T64 WeakPolarHBondContact O-CB 3.44Å; K60-T64 PolarHBondContact O-N 3.35Å; K60-T64 PolarHBondContact O-OG1 3.17Å; I61-T64 PolarHBondContact O-N 3.33Å; K62-T64 VanDerWaalsContact C-N 3.29Å; K62-T64 PolarHBondContact O-N 3.47Å |
| 65 | C | 69.6 | Low | 71.8 | Confident | 41 Ų | 41 | 85.6 Ų | 85.6 | 28% | 0.277 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 174.2 | -93 | 0 | 0 | 0 | 0 | 113.6 | V21 F25 I61 K62 | V21-C65 VanDerWaalsContact CG1-SG 3.59Å; F25-C65 WeakPolarHBondContact CB-SG 3.41Å; F25-C65 HydrophobicContact CD2-CB 4.15Å; F25-C65 HydrophobicContact CE2-CB 4.48Å; F25-C65 HydrophobicContact CG-CB 4.22Å; I61-C65 PolarHBondContact O-N 3Å; K62-C65 WeakPolarHBondContact O-CB 3.5Å; K62-C65 PolarHBondContact O-N 3.41Å; K62-C65 VanDerWaalsContact O-N 3.15Å |
| 66 | V | 69.7 | Low | 69.8 | Low | 119 Ų | 119 | 81.1 Ų | 81.1 | 72% | 0.721 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.9 | -33.5 | -178 | 172.4 | 0 | 0 | 0 | 0 | 112 | K62 Q63 G68 | K62-V66 WeakPolarHBondContact O-CG2 3.4Å; K62-V66 PolarHBondContact O-N 2.98Å; Q63-V66 PolarHBondContact O-N 3.5Å; V66-G68 PolarHBondContact O-N 3.5Å |
| 67 | S | 59.6 | Low | 68.2 | Low | 73 Ų | 73 | 82.2 Ų | 82.2 | 51% | 0.51 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 10.6 | -174.3 | -57.6 | 0 | 0 | 0 | 0 | 115.1 | Q63 T69 | Q63-S67 PolarHBondContact O-N 3.27Å; Q63-S67 PolarHBondContact O-OG 3.13Å; S67-T69 PolarHBondContact O-N 2.95Å; S67-T69 PolarHBondContact O-OG1 3.35Å |
| 68 | G | 51.9 | Low | 66.8 | Low | 69 Ų | 69 | 89.6 Ų | 89.6 | 71% | 0.711 | 50% | 0.503 | S | S | * | . | trans | 59.7 | 4.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | V66 S70 | V66-G68 PolarHBondContact O-N 3.5Å; G68-S70 PolarHBondContact O-N 3.42Å | ||
| 69 | T | 55.8 | Low | 65.7 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -79.2 | 68 | -168.5 | -43.4 | 0 | 0 | 0 | 0 | 110 | S67 S71 T79 | S67-T69 PolarHBondContact O-N 2.95Å; S67-T69 PolarHBondContact O-OG1 3.35Å; T69-S71 WeakPolarHBondContact O-CA 3.49Å; T69-S71 VanDerWaalsContact O-CB 3.27Å; T69-S71 WeakPolarHBondContact O-CB 3.38Å; T69-S71 PolarHBondContact O-N 2.87Å; T69-S71 PolarHBondContact O-OG 3.48Å; T69-T79 HydrophobicContact CG2-CG2 4.47Å |
| 70 | S | 51.4 | Low | 65.1 | Low | 104 Ų | 104 | 89.1 Ų | 89.1 | 73% | 0.727 | 50% | 0.501 | S | S | * | . | S | Bend | trans | 38.3 | 32.8 | 171.9 | -165.5 | 0 | 0 | 0 | 0 | 115.5 | G68 | G68-S70 PolarHBondContact O-N 3.42Š|
| 71 | S | 51.6 | Low | 65.1 | Low | 22 Ų | 22 | 85.4 Ų | 85.4 | 15% | 0.154 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -2.7 | -162 | -78.3 | 0 | 0 | 0 | 0 | 112.9 | T69 I73 | T69-S71 WeakPolarHBondContact O-CA 3.49Å; T69-S71 VanDerWaalsContact O-CB 3.27Å; T69-S71 WeakPolarHBondContact O-CB 3.38Å; T69-S71 PolarHBondContact O-N 2.87Å; T69-S71 PolarHBondContact O-OG 3.48Å; S71-I73 VanDerWaalsContact C-N 3.32Å |
| 72 | S | 52.1 | Low | 65.2 | Low | 88 Ų | 88 | 93.1 Ų | 93.1 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -35 | 177.9 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | ||
| 73 | I | 51.8 | Low | 65.5 | Low | 148 Ų | 148 | 90.8 Ų | 90.8 | 76% | 0.759 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -39.4 | -178.2 | -57.5 | 175.3 | 0 | 0 | 0 | 111.6 | S71 V75 | S71-I73 VanDerWaalsContact C-N 3.32Å; I73-V75 PolarHBondContact O-N 3.09Å |
| 74 | A | 53.6 | Low | 65.9 | Low | 34 Ų | 34 | 85.5 Ų | 85.5 | 28% | 0.281 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -80.6 | 125.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S76 I77 | A74-S76 PolarHBondContact O-N 3.37Å; A74-I77 HydrophobicContact CB-CD1 3.91Å; A74-I77 HydrophobicContact CB-CG1 4.23Å |
| 75 | V | 56.9 | Low | 66.6 | Low | 70 Ų | 70 | 87.8 Ų | 87.8 | 42% | 0.424 | 50% | 0.499 | S | S | . | . | trans | -52.1 | 99.9 | 169.1 | 174 | 0 | 0 | 0 | 0 | 109.6 | A18 T20 I73 I77 | A18-V75 HydrophobicContact CB-CG1 3.57Å; A18-V75 HydrophobicContact CB-CG2 4.3Å; T20-V75 HydrophobicContact CG2-CG2 4.24Å; I73-V75 PolarHBondContact O-N 3.09Å; V75-I77 WeakPolarHBondContact O-CG1 3.46Å; V75-I77 PolarHBondContact O-N 3.47Å | ||
| 76 | S | 52.3 | Low | 67.9 | Low | 53 Ų | 53 | 90.9 Ų | 90.9 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | trans | 12.7 | 62.8 | 170.7 | -178.4 | 0 | 0 | 0 | 0 | 113.9 | A74 R78 | A74-S76 PolarHBondContact O-N 3.37Å; S76-R78 PolarHBondContact O-N 3.47Å; S76-R78 VanDerWaalsContact O-N 3.08Å | ||
| 77 | I | 60.6 | Low | 69.1 | Low | 126 Ų | 126 | 85.2 Ų | 85.2 | 65% | 0.646 | 48% | 0.475 | S | S | * | . | trans | -71.7 | 112.9 | 176.5 | -58.5 | 177.8 | 0 | 0 | 0 | 102.4 | A74 V75 T79 | A74-I77 HydrophobicContact CB-CD1 3.91Å; A74-I77 HydrophobicContact CB-CG1 4.23Å; V75-I77 WeakPolarHBondContact O-CG1 3.46Å; V75-I77 PolarHBondContact O-N 3.47Å; I77-T79 PolarHBondContact O-N 3.11Å | ||
| 78 | R | 63.1 | Low | 70.8 | Confident | 231 Ų | 231 | 82 Ų | 82 | 87% | 0.872 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 117.2 | 178.5 | -67.7 | -179.4 | -179.9 | 176.9 | -1.1 | 106.4 | S76 R80 | S76-R78 PolarHBondContact O-N 3.47Å; S76-R78 VanDerWaalsContact O-N 3.08Å; R78-R80 PolarHBondContact O-N 3.24Å |
| 79 | T | 69.9 | Low | 72.9 | Confident | 105 Ų | 105 | 85 Ų | 85 | 64% | 0.644 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 130.2 | 178.2 | 42.2 | 0 | 0 | 0 | 0 | 108 | T69 I77 | T69-T79 HydrophobicContact CG2-CG2 4.47Å; I77-T79 PolarHBondContact O-N 3.11Å |
| 80 | R | 77.8 | Confident | 74.9 | Confident | 76 Ų | 76 | 84.9 Ų | 84.9 | 29% | 0.287 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 136.4 | -179.8 | -168.4 | 73.4 | -172.1 | -97.1 | -0.4 | 107.9 | R78 K82 L84 E85 E88 W140 | R78-R80 PolarHBondContact O-N 3.24Å; R80-K82 PolarHBondContact O-N 2.92Å; R80-L84 HydrophobicContact CG-CB 4.32Å; R80-E85 HydrophobicContact CB-CG 3.92Å; R80-E85 WeakPolarHBondContact CB-OE1 3.32Å; R80-E85 HydrophobicContact CG-CG 3.78Å; R80-E88 IonicContact CZ-OE1 3.6Å; R80-E88 IonicContact CZ-OE2 3.24Å; R80-E88 VanDerWaalsContact NH1-CD 3.31Å; R80-E88 IonicContact NH1-OE1 3.58Å; R80-E88 PolarHBondContact NH1-OE1 3.28Å; R80-E88 IonicContact NH1-OE2 3.75Å; R80-E88 PolarHBondContact NH1-OE2 3.36Å; R80-E88 IonicContact NH2-OE1 2.98Å; R80-E88 PolarHBondContact NH2-OE1 2.85Å; R80-E88 IonicContact NH2-OE2 2.79Å; R80-W140 VanDerWaalsContact NH2-CD1 3.27Å |
| 81 | P | 86.3 | Confident | 77 | Confident | 70 Ų | 70 | 80 Ų | 80 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 132.5 | 173.5 | -24.7 | 32.9 | 0 | 0 | 0 | 111 | I83 L84 E85 | P81-I83 VanDerWaalsContact C-N 3.27Å; P81-I83 HydrophobicContact CB-CG2 4.32Å; P81-I83 PolarHBondContact O-N 3.18Å; P81-L84 HydrophobicContact CB-CD1 4.32Å; P81-L84 HydrophobicContact CB-CG 4.42Å; P81-L84 HydrophobicContact CG-CD1 4Å; P81-L84 WeakPolarHBondContact O-CB 3.31Å; P81-L84 PolarHBondContact O-N 3.27Å; P81-E85 PolarHBondContact O-N 3.23Å |
| 82 | K | 88.6 | Confident | 79 | Confident | 179 Ų | 179 | 79.2 Ų | 79.2 | 78% | 0.778 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -52.3 | -42.2 | -176.8 | -67.8 | -175.6 | 176.7 | -177.5 | 0 | 113.4 | R80 L84 E85 E86 | R80-K82 PolarHBondContact O-N 2.92Å; K82-L84 VanDerWaalsContact C-N 3.26Å; K82-L84 PolarHBondContact O-N 2.93Å; K82-E85 WeakPolarHBondContact O-CB 3.38Å; K82-E85 PolarHBondContact O-N 3.48Å; K82-E85 VanDerWaalsContact O-N 3.12Å; K82-E86 PolarHBondContact O-N 3.02Å |
| 83 | I | 93 | Very high | 81 | Confident | 31 Ų | 31 | 78.9 Ų | 78.9 | 16% | 0.159 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60 | -34.7 | 177.5 | -171.6 | 168.7 | 0 | 0 | 0 | 113.1 | P81 M87 Y118 L121 I131 | P81-I83 VanDerWaalsContact C-N 3.27Å; P81-I83 HydrophobicContact CB-CG2 4.32Å; P81-I83 PolarHBondContact O-N 3.18Å; I83-M87 WeakPolarHBondContact O-CB 3.31Å; I83-M87 PolarHBondContact O-N 2.74Å; I83-Y118 HydrophobicContact CD1-CE2 3.99Å; I83-Y118 HydrophobicContact CG1-CD2 4.35Å; I83-Y118 HydrophobicContact CG1-CE2 3.9Å; I83-Y118 HydrophobicContact CG2-CE2 4.02Å; I83-L121 HydrophobicContact CD1-CB 4.23Å; I83-L121 HydrophobicContact CG1-CB 4.13Å; I83-L121 HydrophobicContact CG1-CD1 4.47Å; I83-I131 HydrophobicContact CD1-CD1 3.8Å; I83-I131 HydrophobicContact CD1-CG1 4.45Å; I83-I131 HydrophobicContact CD1-CG2 3.76Å |
| 84 | L | 92.1 | Very high | 83 | Confident | 27 Ų | 27 | 74.4 Ų | 74.4 | 14% | 0.141 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73 | -38.4 | 176.6 | -71.7 | 175.7 | 0 | 0 | 0 | 111 | R80 P81 K82 E86 M87 E88 Y118 F134 | R80-L84 HydrophobicContact CG-CB 4.32Å; P81-L84 HydrophobicContact CB-CD1 4.32Å; P81-L84 HydrophobicContact CB-CG 4.42Å; P81-L84 HydrophobicContact CG-CD1 4Å; P81-L84 WeakPolarHBondContact O-CB 3.31Å; P81-L84 PolarHBondContact O-N 3.27Å; K82-L84 VanDerWaalsContact C-N 3.26Å; K82-L84 PolarHBondContact O-N 2.93Å; L84-E86 VanDerWaalsContact C-N 3.33Å; L84-M87 HydrophobicContact CD2-CE 4.49Å; L84-E88 WeakPolarHBondContact O-CB 3.45Å; L84-E88 WeakPolarHBondContact O-CG 3.17Å; L84-E88 PolarHBondContact O-N 3.26Å; L84-Y118 HydrophobicContact CD2-CD2 3.94Å; L84-Y118 HydrophobicContact CD2-CE2 3.57Å; L84-Y118 HydrophobicContact CG-CE2 4.27Å; L84-F134 HydrophobicContact CD2-CD2 3.71Å; L84-F134 HydrophobicContact CD2-CE2 3.99Å; L84-F134 HydrophobicContact CD2-CG 4.42Å |
| 85 | E | 91.7 | Very high | 84.8 | Confident | 98 Ų | 98 | 72.8 Ų | 72.8 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.5 | -62.4 | 179.3 | 167.2 | 0 | 0 | 111.2 | R80 P81 K82 E88 K89 | R80-E85 HydrophobicContact CB-CG 3.92Å; R80-E85 WeakPolarHBondContact CB-OE1 3.32Å; R80-E85 HydrophobicContact CG-CG 3.78Å; P81-E85 PolarHBondContact O-N 3.23Å; K82-E85 WeakPolarHBondContact O-CB 3.38Å; K82-E85 PolarHBondContact O-N 3.48Å; K82-E85 VanDerWaalsContact O-N 3.12Å; E85-E88 PolarHBondContact O-N 3.05Å; E85-K89 WeakPolarHBondContact O-CB 3.21Å; E85-K89 PolarHBondContact O-N 3.2Å |
| 86 | E | 95.1 | Very high | 86.4 | Confident | 106 Ų | 106 | 74 Ų | 74 | 50% | 0.495 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 177.7 | -173.5 | 167.6 | -159.6 | 0 | 0 | 112 | K82 L84 E88 K89 L90 L121 | K82-E86 PolarHBondContact O-N 3.02Å; L84-E86 VanDerWaalsContact C-N 3.33Å; E86-E88 VanDerWaalsContact C-N 3.33Å; E86-E88 PolarHBondContact O-N 2.79Å; E86-K89 PolarHBondContact O-N 2.86Å; E86-L90 WeakPolarHBondContact O-CG 3.34Å; E86-L90 PolarHBondContact O-N 3.15Å; E86-L121 HydrophobicContact CB-CD1 4.18Å; E86-L121 HydrophobicContact CG-CD1 4Å; E86-L121 HydrophobicContact CG-CD2 3.96Å |
| 87 | M | 96.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 174.7 | 179.3 | -129.9 | 51.2 | 0 | 0 | 111.6 | I83 L84 K89 L90 L91 A114 I117 Y118 L121 F134 W140 | I83-M87 WeakPolarHBondContact O-CB 3.31Å; I83-M87 PolarHBondContact O-N 2.74Å; L84-M87 HydrophobicContact CD2-CE 4.49Å; M87-K89 VanDerWaalsContact C-N 3.35Å; M87-K89 PolarHBondContact O-N 3.38Å; M87-L90 PolarHBondContact O-N 2.81Å; M87-L91 VanDerWaalsContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CB 3.4Å; M87-L91 PolarHBondContact O-N 3.19Å; M87-A114 HydrophobicContact SD-CB 4.07Å; M87-I117 HydrophobicContact CB-CG2 4.03Å; M87-I117 HydrophobicContact CG-CB 4Å; M87-I117 HydrophobicContact CG-CG2 3.61Å; M87-Y118 HydrophobicContact CB-CD2 4.34Å; M87-Y118 HydrophobicContact CG-CD2 4.33Å; M87-Y118 HydrophobicContact SD-CD2 4.12Å; M87-L121 HydrophobicContact CB-CD1 3.68Å; M87-F134 HydrophobicContact CE-CZ 4.25Å; M87-F134 HydrophobicContact SD-CD1 4.2Å; M87-F134 HydrophobicContact SD-CE1 3.64Å; M87-F134 HydrophobicContact SD-CE2 4.45Å; M87-F134 HydrophobicContact SD-CZ 3.79Å; M87-W140 HydrophobicContact CE-CZ2 3.58Å; M87-W140 HydrophobicContact SD-CZ2 4.45Å |
| 88 | E | 95.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 2% | 0.023 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 179.4 | -74.1 | 178.9 | 164 | 0 | 0 | 111.9 | R80 L84 E85 E86 L91 S92 W140 F144 Y148 | R80-E88 IonicContact CZ-OE1 3.6Å; R80-E88 IonicContact CZ-OE2 3.24Å; R80-E88 VanDerWaalsContact NH1-CD 3.31Å; R80-E88 IonicContact NH1-OE1 3.58Å; R80-E88 PolarHBondContact NH1-OE1 3.28Å; R80-E88 IonicContact NH1-OE2 3.75Å; R80-E88 PolarHBondContact NH1-OE2 3.36Å; R80-E88 IonicContact NH2-OE1 2.98Å; R80-E88 PolarHBondContact NH2-OE1 2.85Å; R80-E88 IonicContact NH2-OE2 2.79Å; L84-E88 WeakPolarHBondContact O-CB 3.45Å; L84-E88 WeakPolarHBondContact O-CG 3.17Å; L84-E88 PolarHBondContact O-N 3.26Å; E85-E88 PolarHBondContact O-N 3.05Å; E86-E88 VanDerWaalsContact C-N 3.33Å; E86-E88 PolarHBondContact O-N 2.79Å; E88-L91 PolarHBondContact O-N 3.42Å; E88-S92 PolarHBondContact O-N 2.92Å; E88-W140 HydrophobicContact CG-CZ2 4.29Å; E88-W140 PolarHBondContact OE1-NE1 2.67Å; E88-F144 HydrophobicContact CB-CD2 3.93Å; E88-F144 HydrophobicContact CB-CE2 4.01Å; E88-F144 HydrophobicContact CG-CD2 3.77Å; E88-F144 HydrophobicContact CG-CE2 4.27Å; E88-Y148 HydrophobicContact CB-CE2 3.69Å; E88-Y148 WeakPolarHBondContact CB-OH 2.99Å |
| 89 | K | 95.6 | Very high | 90.5 | Very high | 132 Ų | 132 | 61 Ų | 61 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.5 | -44.7 | 175.6 | -175.5 | -177.1 | 178.2 | -175.3 | 0 | 111.9 | E85 E86 M87 L91 S92 I93 Y148 | E85-K89 WeakPolarHBondContact O-CB 3.21Å; E85-K89 PolarHBondContact O-N 3.2Å; E86-K89 PolarHBondContact O-N 2.86Å; M87-K89 VanDerWaalsContact C-N 3.35Å; M87-K89 PolarHBondContact O-N 3.38Å; K89-L91 VanDerWaalsContact C-N 3.27Å; K89-L91 PolarHBondContact O-N 3.47Å; K89-S92 PolarHBondContact O-N 3.29Å; K89-S92 PolarHBondContact O-OG 2.91Å; K89-I93 HydrophobicContact CG-CD1 4.41Å; K89-I93 WeakPolarHBondContact O-CG1 3.47Å; K89-I93 PolarHBondContact O-N 3.42Å; K89-Y148 WeakPolarHBondContact CA-OH 3.34Å; K89-Y148 PolarHBondContact N-OH 2.97Å; K89-Y148 VanDerWaalsContact N-OH 3.13Å |
| 90 | L | 97.3 | Very high | 91.3 | Very high | 78 Ų | 78 | 63.6 Ų | 63.6 | 41% | 0.408 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 175.3 | -70.1 | 175.3 | 0 | 0 | 0 | 111.4 | E86 M87 W94 I117 L121 | E86-L90 WeakPolarHBondContact O-CG 3.34Å; E86-L90 PolarHBondContact O-N 3.15Å; M87-L90 PolarHBondContact O-N 2.81Å; L90-W94 PolarHBondContact O-N 2.97Å; L90-I117 HydrophobicContact CB-CD1 4.15Å; L90-I117 HydrophobicContact CB-CG2 3.91Å; L90-I117 HydrophobicContact CD1-CG2 3.78Å; L90-I117 HydrophobicContact CG-CG2 4.5Å; L90-L121 HydrophobicContact CD1-CD1 4.27Å; L90-L121 HydrophobicContact CD1-CD2 4.2Å; L90-L121 HydrophobicContact CD1-CG 4.44Å |
| 91 | L | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 177.1 | -172 | 65.5 | 0 | 0 | 0 | 112.2 | M87 E88 K89 W94 I95 V110 K113 A114 I117 W140 F144 | M87-L91 VanDerWaalsContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CB 3.4Å; M87-L91 PolarHBondContact O-N 3.19Å; E88-L91 PolarHBondContact O-N 3.42Å; K89-L91 VanDerWaalsContact C-N 3.27Å; K89-L91 PolarHBondContact O-N 3.47Å; L91-W94 HydrophobicContact CD1-CE3 3.98Å; L91-W94 HydrophobicContact CD1-CZ3 4.49Å; L91-W94 PolarHBondContact O-N 3.12Å; L91-I95 HydrophobicContact CG-CD1 4.32Å; L91-I95 WeakPolarHBondContact O-CG1 3.11Å; L91-I95 PolarHBondContact O-N 3.45Å; L91-V110 HydrophobicContact CD1-CG1 4.07Å; L91-V110 HydrophobicContact CD2-CG1 3.69Å; L91-V110 HydrophobicContact CG-CG1 4.09Å; L91-K113 HydrophobicContact CD1-CB 3.86Å; L91-K113 HydrophobicContact CD1-CG 3.84Å; L91-A114 HydrophobicContact CD1-CB 4.34Å; L91-A114 HydrophobicContact CD2-CB 3.69Å; L91-I117 HydrophobicContact CB-CD1 4.15Å; L91-I117 HydrophobicContact CD1-CD1 4.08Å; L91-W140 HydrophobicContact CD2-CH2 3.59Å; L91-W140 HydrophobicContact CD2-CZ2 3.99Å; L91-F144 HydrophobicContact CB-CZ 4.29Å; L91-F144 HydrophobicContact CD2-CE1 4.01Å; L91-F144 HydrophobicContact CD2-CE2 4.2Å; L91-F144 HydrophobicContact CD2-CZ 3.8Å; L91-F144 HydrophobicContact CG-CE1 4.44Å; L91-F144 HydrophobicContact CG-CZ 3.96Å |
| 92 | S | 93.7 | Very high | 91.5 | Very high | 7 Ų | 7 | 73.8 Ų | 73.8 | 5% | 0.049 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 177.7 | 74.7 | 0 | 0 | 0 | 0 | 111.3 | E88 K89 W94 I95 E96 Y148 | E88-S92 PolarHBondContact O-N 2.92Å; K89-S92 PolarHBondContact O-N 3.29Å; K89-S92 PolarHBondContact O-OG 2.91Å; S92-W94 VanDerWaalsContact C-N 3.28Å; S92-W94 PolarHBondContact O-N 3.24Å; S92-I95 PolarHBondContact O-N 2.75Å; S92-E96 WeakPolarHBondContact O-CG 2.98Å; S92-E96 PolarHBondContact O-N 3.21Å; S92-Y148 WeakPolarHBondContact OG-CE1 3.36Å |
| 93 | I | 94.1 | Very high | 91.1 | Very high | 81 Ų | 81 | 69.4 Ų | 69.4 | 42% | 0.415 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 175.5 | -64.3 | 164.9 | 0 | 0 | 0 | 110.6 | K89 E96 T97 | K89-I93 HydrophobicContact CG-CD1 4.41Å; K89-I93 WeakPolarHBondContact O-CG1 3.47Å; K89-I93 PolarHBondContact O-N 3.42Å; I93-E96 PolarHBondContact O-N 3.17Å; I93-T97 PolarHBondContact O-N 3.2Å; I93-T97 PolarHBondContact O-OG1 2.76Å |
| 94 | W | 94.5 | Very high | 90.3 | Very high | 54 Ų | 54 | 70.1 Ų | 70.1 | 21% | 0.205 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.7 | 176.4 | 79.9 | 0 | 0 | 0 | 112.3 | L90 L91 S92 T97 Q98 T105 V110 K113 | L90-W94 PolarHBondContact O-N 2.97Å; L91-W94 HydrophobicContact CD1-CE3 3.98Å; L91-W94 HydrophobicContact CD1-CZ3 4.49Å; L91-W94 PolarHBondContact O-N 3.12Å; S92-W94 VanDerWaalsContact C-N 3.28Å; S92-W94 PolarHBondContact O-N 3.24Å; W94-T97 WeakPolarHBondContact O-CB 3.32Å; W94-T97 PolarHBondContact O-N 2.89Å; W94-Q98 HydrophobicContact CD2-CG 4Å; W94-Q98 HydrophobicContact CE3-CG 4.26Å; W94-Q98 HydrophobicContact CH2-CG 3.92Å; W94-Q98 HydrophobicContact CZ2-CG 3.63Å; W94-Q98 HydrophobicContact CZ3-CG 4.22Å; W94-Q98 VanDerWaalsContact NE1-NE2 3.13Å; W94-Q98 WeakPolarHBondContact O-CG 3.1Å; W94-Q98 PolarHBondContact O-N 2.9Å; W94-T105 HydrophobicContact CH2-CG2 4.05Å; W94-T105 HydrophobicContact CZ3-CG2 3.83Å; W94-V110 HydrophobicContact CZ3-CG2 4.34Å; W94-K113 HydrophobicContact CD2-CB 4.33Å; W94-K113 HydrophobicContact CD2-CD 4.13Å; W94-K113 HydrophobicContact CD2-CG 3.61Å; W94-K113 HydrophobicContact CE3-CB 4.1Å; W94-K113 HydrophobicContact CE3-CG 3.79Å; W94-K113 HydrophobicContact CG-CD 4.34Å; W94-K113 HydrophobicContact CG-CG 4.03Å; W94-K113 HydrophobicContact CH2-CB 4.09Å; W94-K113 HydrophobicContact CH2-CG 4.36Å; W94-K113 HydrophobicContact CZ2-CB 4.3Å; W94-K113 HydrophobicContact CZ2-CD 4.3Å; W94-K113 HydrophobicContact CZ2-CG 4.19Å; W94-K113 HydrophobicContact CZ3-CB 3.98Å; W94-K113 HydrophobicContact CZ3-CG 4.17Å |
| 95 | I | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 176.4 | -68.9 | 172.1 | 0 | 0 | 0 | 111 | L91 S92 T97 Q98 T99 V110 F144 F150 V153 L155 | L91-I95 HydrophobicContact CG-CD1 4.32Å; L91-I95 WeakPolarHBondContact O-CG1 3.11Å; L91-I95 PolarHBondContact O-N 3.45Å; S92-I95 PolarHBondContact O-N 2.75Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.08Å; I95-Q98 PolarHBondContact O-N 3.47Å; I95-T99 WeakPolarHBondContact O-CB 3.34Å; I95-T99 PolarHBondContact O-N 3.04Å; I95-T99 PolarHBondContact O-OG1 2.03Å; I95-V110 HydrophobicContact CD1-CG1 4Å; I95-V110 HydrophobicContact CD1-CG2 4Å; I95-V110 HydrophobicContact CG1-CG2 4.29Å; I95-F144 HydrophobicContact CD1-CE1 3.57Å; I95-F144 HydrophobicContact CD1-CZ 3.78Å; I95-F150 HydrophobicContact CB-CZ 4.27Å; I95-F150 HydrophobicContact CD1-CD2 4.48Å; I95-F150 HydrophobicContact CD1-CE2 4.08Å; I95-F150 HydrophobicContact CD1-CZ 4.41Å; I95-F150 HydrophobicContact CG2-CD1 4.4Å; I95-F150 HydrophobicContact CG2-CE1 4.02Å; I95-F150 HydrophobicContact CG2-CZ 4.18Å; I95-V153 HydrophobicContact CG2-CG1 4.25Å; I95-L155 HydrophobicContact CD1-CD1 4.38Å |
| 96 | E | 88.8 | Confident | 89.4 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 44% | 0.439 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -44 | 174.7 | -73.1 | 167.7 | -160.7 | 0 | 0 | 110.8 | S92 I93 Q98 T99 M100 | S92-E96 WeakPolarHBondContact O-CG 2.98Å; S92-E96 PolarHBondContact O-N 3.21Å; I93-E96 PolarHBondContact O-N 3.17Å; E96-Q98 PolarHBondContact O-N 3.17Å; E96-T99 WeakPolarHBondContact O-CB 3.41Å; E96-T99 PolarHBondContact O-N 3.37Å; E96-M100 WeakPolarHBondContact O-CG 3.48Å; E96-M100 PolarHBondContact O-N 3.31Å |
| 97 | T | 90.7 | Very high | 89 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 33% | 0.331 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61 | -43 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | I93 W94 I95 T99 M100 K101 | I93-T97 PolarHBondContact O-N 3.2Å; I93-T97 PolarHBondContact O-OG1 2.76Å; W94-T97 WeakPolarHBondContact O-CB 3.32Å; W94-T97 PolarHBondContact O-N 2.89Å; I95-T97 VanDerWaalsContact C-N 3.29Å; I95-T97 PolarHBondContact O-N 3.08Å; T97-T99 VanDerWaalsContact C-N 3.32Å; T97-T99 PolarHBondContact O-N 3.46Å; T97-M100 PolarHBondContact O-N 2.9Å; T97-K101 HydrophobicContact CG2-CD 4.39Å; T97-K101 WeakPolarHBondContact O-CG 3.48Å; T97-K101 PolarHBondContact O-N 3.47Å; T97-K101 VanDerWaalsContact O-N 3.07Å |
| 98 | Q | 88.1 | Confident | 88.6 | Confident | 25 Ų | 25 | 66.9 Ų | 66.9 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.8 | -61.3 | -38.9 | -69.2 | 0 | 0 | 111.3 | W94 I95 E96 M100 K101 R102 I103 T105 | W94-Q98 HydrophobicContact CD2-CG 4Å; W94-Q98 HydrophobicContact CE3-CG 4.26Å; W94-Q98 HydrophobicContact CH2-CG 3.92Å; W94-Q98 HydrophobicContact CZ2-CG 3.63Å; W94-Q98 HydrophobicContact CZ3-CG 4.22Å; W94-Q98 VanDerWaalsContact NE1-NE2 3.13Å; W94-Q98 WeakPolarHBondContact O-CG 3.1Å; W94-Q98 PolarHBondContact O-N 2.9Å; I95-Q98 PolarHBondContact O-N 3.47Å; E96-Q98 PolarHBondContact O-N 3.17Å; Q98-M100 PolarHBondContact O-N 2.88Å; Q98-K101 CarbonylContact O-C 3.53Å; Q98-K101 PolarHBondContact O-N 3.1Å; Q98-R102 PolarHBondContact O-N 3.18Å; Q98-R102 VanDerWaalsContact O-N 3.12Å; Q98-I103 HydrophobicContact CB-CB 4.41Å; Q98-I103 PolarHBondContact O-N 2.9Å; Q98-T105 WeakPolarHBondContact CB-OG1 3.34Å |
| 99 | T | 84.1 | Confident | 88.4 | Confident | 59 Ų | 59 | 68.9 Ų | 68.9 | 36% | 0.362 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 178.7 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | I95 E96 T97 R102 | I95-T99 WeakPolarHBondContact O-CB 3.34Å; I95-T99 PolarHBondContact O-N 3.04Å; I95-T99 PolarHBondContact O-OG1 2.03Å; E96-T99 WeakPolarHBondContact O-CB 3.41Å; E96-T99 PolarHBondContact O-N 3.37Å; T97-T99 VanDerWaalsContact C-N 3.32Å; T97-T99 PolarHBondContact O-N 3.46Å; T99-R102 PolarHBondContact O-N 3.28Å; T99-R102 VanDerWaalsContact O-N 3.12Å |
| 100 | M | 86.6 | Confident | 88.2 | Confident | 160 Ų | 160 | 62.6 Ų | 62.6 | 79% | 0.788 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63 | -40.7 | 174.2 | -72.2 | -178.2 | 176.9 | 0 | 0 | 112.2 | E96 T97 Q98 R102 | E96-M100 WeakPolarHBondContact O-CG 3.48Å; E96-M100 PolarHBondContact O-N 3.31Å; T97-M100 PolarHBondContact O-N 2.9Å; Q98-M100 PolarHBondContact O-N 2.88Å; M100-R102 PolarHBondContact O-N 2.98Å |
| 101 | K | 87.8 | Confident | 87.9 | Confident | 138 Ų | 138 | 61.8 Ų | 61.8 | 60% | 0.6 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 0.8 | 175.5 | -67.2 | -179.1 | 179.4 | -170.2 | 0 | 113.7 | T97 Q98 I103 | T97-K101 HydrophobicContact CG2-CD 4.39Å; T97-K101 WeakPolarHBondContact O-CG 3.48Å; T97-K101 PolarHBondContact O-N 3.47Å; T97-K101 VanDerWaalsContact O-N 3.07Å; Q98-K101 CarbonylContact O-C 3.53Å; Q98-K101 PolarHBondContact O-N 3.1Å; K101-I103 HydrophobicContact CB-CD1 3.75Å; K101-I103 HydrophobicContact CB-CG1 3.85Å; K101-I103 HydrophobicContact CD-CD1 4.02Å; K101-I103 PolarHBondContact O-N 3.35Å; K101-I103 VanDerWaalsContact O-N 3.16Å |
| 102 | R | 80.6 | Confident | 87.8 | Confident | 222 Ų | 222 | 68 Ų | 68 | 84% | 0.838 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 23.8 | -174 | -56 | -64.4 | -169.8 | 175.1 | 1.9 | 113.6 | Q98 T99 M100 G104 | Q98-R102 PolarHBondContact O-N 3.18Å; Q98-R102 VanDerWaalsContact O-N 3.12Å; T99-R102 PolarHBondContact O-N 3.28Å; T99-R102 VanDerWaalsContact O-N 3.12Å; M100-R102 PolarHBondContact O-N 2.98Å; R102-G104 PolarHBondContact O-N 2.84Å |
| 103 | I | 80.6 | Confident | 87.9 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | trans | -82.1 | 120.2 | 177.2 | -62 | 170.1 | 0 | 0 | 0 | 108.1 | Q98 K101 T105 | Q98-I103 HydrophobicContact CB-CB 4.41Å; Q98-I103 PolarHBondContact O-N 2.9Å; K101-I103 HydrophobicContact CB-CD1 3.75Å; K101-I103 HydrophobicContact CB-CG1 3.85Å; K101-I103 HydrophobicContact CD-CD1 4.02Å; K101-I103 PolarHBondContact O-N 3.35Å; K101-I103 VanDerWaalsContact O-N 3.16Å; I103-T105 PolarHBondContact O-N 2.98Å; I103-T105 PolarHBondContact O-OG1 2.64Å | ||
| 104 | G | 74.8 | Confident | 88.1 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | trans | -57.2 | 112 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R102 | R102-G104 PolarHBondContact O-N 2.84Š| ||
| 105 | T | 82.8 | Confident | 88.2 | Confident | 11 Ų | 11 | 67.2 Ų | 67.2 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | trans | -97.1 | 122.5 | 177 | -55.3 | 0 | 0 | 0 | 0 | 108.9 | W94 Q98 I103 V110 L155 | W94-T105 HydrophobicContact CH2-CG2 4.05Å; W94-T105 HydrophobicContact CZ3-CG2 3.83Å; Q98-T105 WeakPolarHBondContact CB-OG1 3.34Å; I103-T105 PolarHBondContact O-N 2.98Å; I103-T105 PolarHBondContact O-OG1 2.64Å; T105-V110 HydrophobicContact CG2-CG2 3.37Å; T105-L155 HydrophobicContact CG2-CD2 3.63Å; T105-L155 WeakPolarHBondContact O-CD2 3.42Å | ||
| 106 | T | 84.1 | Confident | 88.5 | Confident | 32 Ų | 32 | 70.5 Ų | 70.5 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | trans | -105.3 | 165.2 | 179.4 | 67.8 | 0 | 0 | 0 | 0 | 111.3 | F108 T109 V110 L155 | T106-F108 PolarHBondContact O-N 2.76Å; T106-T109 PolarHBondContact N-OG1 2.74Å; T106-T109 PolarHBondContact O-N 3.19Å; T106-T109 PolarHBondContact O-OG1 3.3Å; T106-T109 PolarHBondContact OG1-N 2.92Å; T106-T109 PolarHBondContact OG1-OG1 3.41Å; T106-V110 WeakPolarHBondContact O-CG2 3.44Å; T106-V110 PolarHBondContact O-N 3.48Å; T106-L155 CarbonylContact C-O 3.45Å | ||
| 107 | F | 86.5 | Confident | 88.9 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -51.6 | -43.1 | 175.8 | 169.3 | -109.7 | 0 | 0 | 0 | 111.9 | V110 R111 F141 L155 N237 C239 | F107-V110 PolarHBondContact O-N 2.92Å; F107-R111 VanDerWaalsContact O-CB 3.29Å; F107-R111 WeakPolarHBondContact O-CB 3.49Å; F107-R111 PolarHBondContact O-N 2.9Å; F107-F141 HydrophobicContact CD2-CB 4.19Å; F107-F141 AromaticContact CD2-CD1 3.44Å; F107-F141 HydrophobicContact CD2-CD1 3.44Å; F107-F141 VanDerWaalsContact CD2-CD1 3.44Å; F107-F141 HydrophobicContact CD2-CD2 4.15Å; F107-F141 AromaticContact CD2-CE1 3.75Å; F107-F141 HydrophobicContact CD2-CE1 3.75Å; F107-F141 HydrophobicContact CD2-CE2 4.43Å; F107-F141 AromaticContact CD2-CG 3.65Å; F107-F141 HydrophobicContact CD2-CG 3.65Å; F107-F141 HydrophobicContact CD2-CZ 4.24Å; F107-F141 HydrophobicContact CE2-CB 3.69Å; F107-F141 AromaticContact CE2-CD1 3.75Å; F107-F141 HydrophobicContact CE2-CD1 3.75Å; F107-F141 HydrophobicContact CE2-CD2 4.41Å; F107-F141 HydrophobicContact CE2-CE1 4.5Å; F107-F141 AromaticContact CE2-CG 3.68Å; F107-F141 HydrophobicContact CE2-CG 3.68Å; F107-L155 WeakPolarHBondContact CA-O 3.39Å; F107-L155 WeakPolarHBondContact CB-O 3.34Å; F107-L155 PolarHBondContact N-O 3.29Å; F107-N237 WeakPolarHBondContact CE1-O 3.46Å; F107-C239 HydrophobicContact CB-CB 3.72Å; F107-C239 HydrophobicContact CD1-CB 4.1Å; F107-C239 HydrophobicContact CD2-CB 3.99Å; F107-C239 HydrophobicContact CG-CB 3.65Å |
| 108 | F | 87.8 | Confident | 89.2 | Confident | 113 Ų | 113 | 64.5 Ų | 64.5 | 50% | 0.496 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | -179.7 | -63.3 | -72.4 | 0 | 0 | 0 | 112.4 | T106 R111 Q112 | T106-F108 PolarHBondContact O-N 2.76Å; F108-R111 WeakPolarHBondContact O-CB 3.19Å; F108-R111 PolarHBondContact O-N 2.8Å; F108-Q112 WeakPolarHBondContact O-CG 3.48Å; F108-Q112 PolarHBondContact O-N 3.44Å |
| 109 | T | 90.4 | Very high | 89.6 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 29% | 0.294 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 178.8 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | T106 R111 Q112 K113 | T106-T109 PolarHBondContact N-OG1 2.74Å; T106-T109 PolarHBondContact O-N 3.19Å; T106-T109 PolarHBondContact O-OG1 3.3Å; T106-T109 PolarHBondContact OG1-N 2.92Å; T106-T109 PolarHBondContact OG1-OG1 3.41Å; T109-R111 VanDerWaalsContact C-N 3.34Å; T109-Q112 PolarHBondContact O-N 3.34Å; T109-K113 WeakPolarHBondContact O-CB 3.31Å; T109-K113 PolarHBondContact O-N 2.99Å |
| 110 | V | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | L91 W94 I95 T105 T106 F107 K113 A114 F141 F144 L155 | L91-V110 HydrophobicContact CD1-CG1 4.07Å; L91-V110 HydrophobicContact CD2-CG1 3.69Å; L91-V110 HydrophobicContact CG-CG1 4.09Å; W94-V110 HydrophobicContact CZ3-CG2 4.34Å; I95-V110 HydrophobicContact CD1-CG1 4Å; I95-V110 HydrophobicContact CD1-CG2 4Å; I95-V110 HydrophobicContact CG1-CG2 4.29Å; T105-V110 HydrophobicContact CG2-CG2 3.37Å; T106-V110 WeakPolarHBondContact O-CG2 3.44Å; T106-V110 PolarHBondContact O-N 3.48Å; F107-V110 PolarHBondContact O-N 2.92Å; V110-K113 PolarHBondContact O-N 3.19Å; V110-A114 VanDerWaalsContact O-CB 3.32Å; V110-A114 WeakPolarHBondContact O-CB 3.42Å; V110-A114 PolarHBondContact O-N 3.41Å; V110-F141 HydrophobicContact CB-CE2 3.96Å; V110-F141 HydrophobicContact CG1-CD2 4.07Å; V110-F141 HydrophobicContact CG1-CE2 3.73Å; V110-F141 HydrophobicContact CG2-CE2 4.17Å; V110-F144 HydrophobicContact CG1-CE1 4.38Å; V110-L155 HydrophobicContact CG2-CD1 4.49Å; V110-L155 HydrophobicContact CG2-CD2 3.91Å |
| 111 | R | 92.2 | Very high | 90.6 | Very high | 60 Ų | 60 | 60.3 Ų | 60.3 | 23% | 0.226 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.8 | -51 | 178.9 | -171.9 | -175.5 | 171.4 | 158.7 | -5.5 | 111.4 | F107 F108 T109 K113 A114 V115 A136 N237 | F107-R111 VanDerWaalsContact O-CB 3.29Å; F107-R111 WeakPolarHBondContact O-CB 3.49Å; F107-R111 PolarHBondContact O-N 2.9Å; F108-R111 WeakPolarHBondContact O-CB 3.19Å; F108-R111 PolarHBondContact O-N 2.8Å; T109-R111 VanDerWaalsContact C-N 3.34Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 2.62Å; R111-A114 PolarHBondContact O-N 2.71Å; R111-V115 WeakPolarHBondContact O-CG2 3.27Å; R111-V115 PolarHBondContact O-N 3.1Å; R111-A136 HydrophobicContact CB-CB 4.47Å; R111-A136 VanDerWaalsContact CD-O 3.32Å; R111-A136 WeakPolarHBondContact CD-O 3.46Å; R111-A136 HydrophobicContact CG-CB 3.43Å; R111-A136 VanDerWaalsContact CG-CB 3.43Å; R111-A136 WeakPolarHBondContact CG-O 3.45Å; R111-A136 PolarHBondContact NE-O 3.46Å; R111-A136 VanDerWaalsContact NE-O 3.08Å; R111-N237 PolarHBondContact NH1-OD1 3.25Å |
| 112 | Q | 93.8 | Very high | 90.9 | Very high | 132 Ų | 132 | 55.9 Ų | 55.9 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.7 | -43.9 | 178.3 | -74.1 | 175 | -43.8 | 0 | 0 | 111.6 | F108 T109 A114 V115 T116 | F108-Q112 WeakPolarHBondContact O-CG 3.48Å; F108-Q112 PolarHBondContact O-N 3.44Å; T109-Q112 PolarHBondContact O-N 3.34Å; Q112-A114 PolarHBondContact O-N 3.27Å; Q112-V115 PolarHBondContact O-N 2.81Å; Q112-T116 PolarHBondContact O-N 3.03Å; Q112-T116 PolarHBondContact O-OG1 3.24Å |
| 113 | K | 95.6 | Very high | 91.6 | Very high | 71 Ų | 71 | 52.4 Ų | 52.4 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.3 | -168.4 | 69.9 | 178.4 | 174.4 | 0 | 112.1 | L91 W94 T109 V110 R111 T116 I117 | L91-K113 HydrophobicContact CD1-CB 3.86Å; L91-K113 HydrophobicContact CD1-CG 3.84Å; W94-K113 HydrophobicContact CD2-CB 4.33Å; W94-K113 HydrophobicContact CD2-CD 4.13Å; W94-K113 HydrophobicContact CD2-CG 3.61Å; W94-K113 HydrophobicContact CE3-CB 4.1Å; W94-K113 HydrophobicContact CE3-CG 3.79Å; W94-K113 HydrophobicContact CG-CD 4.34Å; W94-K113 HydrophobicContact CG-CG 4.03Å; W94-K113 HydrophobicContact CH2-CB 4.09Å; W94-K113 HydrophobicContact CH2-CG 4.36Å; W94-K113 HydrophobicContact CZ2-CB 4.3Å; W94-K113 HydrophobicContact CZ2-CD 4.3Å; W94-K113 HydrophobicContact CZ2-CG 4.19Å; W94-K113 HydrophobicContact CZ3-CB 3.98Å; W94-K113 HydrophobicContact CZ3-CG 4.17Å; T109-K113 WeakPolarHBondContact O-CB 3.31Å; T109-K113 PolarHBondContact O-N 2.99Å; V110-K113 PolarHBondContact O-N 3.19Å; R111-K113 VanDerWaalsContact C-N 3.32Å; R111-K113 PolarHBondContact O-N 2.62Å; K113-T116 PolarHBondContact O-N 2.9Å; K113-I117 HydrophobicContact CG-CD1 3.89Å; K113-I117 HydrophobicContact CG-CG1 4.39Å; K113-I117 VanDerWaalsContact O-CG1 3.3Å; K113-I117 WeakPolarHBondContact O-CG1 3.34Å; K113-I117 PolarHBondContact O-N 3.26Å |
| 114 | A | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M87 L91 V110 R111 Q112 T116 I117 Y118 F134 W140 | M87-A114 HydrophobicContact SD-CB 4.07Å; L91-A114 HydrophobicContact CD1-CB 4.34Å; L91-A114 HydrophobicContact CD2-CB 3.69Å; V110-A114 VanDerWaalsContact O-CB 3.32Å; V110-A114 WeakPolarHBondContact O-CB 3.42Å; V110-A114 PolarHBondContact O-N 3.41Å; R111-A114 PolarHBondContact O-N 2.71Å; Q112-A114 PolarHBondContact O-N 3.27Å; A114-T116 VanDerWaalsContact C-N 3.33Å; A114-T116 PolarHBondContact O-N 3.26Å; A114-I117 PolarHBondContact O-N 3.36Å; A114-Y118 VanDerWaalsContact O-CB 3.31Å; A114-Y118 WeakPolarHBondContact O-CB 3.44Å; A114-Y118 PolarHBondContact O-N 2.65Å; A114-F134 HydrophobicContact CB-CE1 3.91Å; A114-F134 HydrophobicContact CB-CZ 4.31Å; A114-W140 HydrophobicContact CB-CH2 3.43Å; A114-W140 VanDerWaalsContact CB-CH2 3.43Å; A114-W140 HydrophobicContact CB-CZ2 4.17Å; A114-W140 HydrophobicContact CB-CZ3 4.02Å |
| 115 | V | 97.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 33% | 0.327 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.4 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | R111 Q112 I117 Y118 E119 F134 A136 | R111-V115 WeakPolarHBondContact O-CG2 3.27Å; R111-V115 PolarHBondContact O-N 3.1Å; Q112-V115 PolarHBondContact O-N 2.81Å; V115-I117 PolarHBondContact O-N 3.46Å; V115-Y118 PolarHBondContact O-N 2.67Å; V115-E119 HydrophobicContact CG1-CG 4.29Å; V115-E119 WeakPolarHBondContact O-CG 3.42Å; V115-E119 PolarHBondContact O-N 2.83Å; V115-F134 HydrophobicContact CG2-CD1 4.41Å; V115-F134 HydrophobicContact CG2-CE1 4.41Å; V115-A136 HydrophobicContact CG2-CB 3.98Å |
| 116 | T | 97.6 | Very high | 93.1 | Very high | 68 Ų | 68 | 61.7 Ų | 61.7 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.2 | -51.1 | 179 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | Q112 K113 A114 Y118 E119 D120 | Q112-T116 PolarHBondContact O-N 3.03Å; Q112-T116 PolarHBondContact O-OG1 3.24Å; K113-T116 PolarHBondContact O-N 2.9Å; A114-T116 VanDerWaalsContact C-N 3.33Å; A114-T116 PolarHBondContact O-N 3.26Å; T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 PolarHBondContact O-N 3.46Å; T116-E119 PolarHBondContact O-N 3.46Å; T116-D120 VanDerWaalsContact O-CG 3.27Å; T116-D120 PolarHBondContact O-N 3.49Å |
| 117 | I | 97.9 | Very high | 93.2 | Very high | 16 Ų | 16 | 63.9 Ų | 63.9 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -42 | 178.4 | -67.4 | 168.7 | 0 | 0 | 0 | 110.8 | M87 L90 L91 K113 A114 V115 D120 L121 | M87-I117 HydrophobicContact CB-CG2 4.03Å; M87-I117 HydrophobicContact CG-CB 4Å; M87-I117 HydrophobicContact CG-CG2 3.61Å; L90-I117 HydrophobicContact CB-CD1 4.15Å; L90-I117 HydrophobicContact CB-CG2 3.91Å; L90-I117 HydrophobicContact CD1-CG2 3.78Å; L90-I117 HydrophobicContact CG-CG2 4.5Å; L91-I117 HydrophobicContact CB-CD1 4.15Å; L91-I117 HydrophobicContact CD1-CD1 4.08Å; K113-I117 HydrophobicContact CG-CD1 3.89Å; K113-I117 HydrophobicContact CG-CG1 4.39Å; K113-I117 VanDerWaalsContact O-CG1 3.3Å; K113-I117 WeakPolarHBondContact O-CG1 3.34Å; K113-I117 PolarHBondContact O-N 3.26Å; A114-I117 PolarHBondContact O-N 3.36Å; V115-I117 PolarHBondContact O-N 3.46Å; I117-D120 PolarHBondContact O-N 2.9Å; I117-L121 HydrophobicContact CG2-CD1 3.97Å; I117-L121 HydrophobicContact CG2-CG 4.39Å; I117-L121 WeakPolarHBondContact O-CB 3.33Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 2.95Å |
| 118 | Y | 97.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 2% | 0.024 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -45.1 | -179.3 | -170.3 | -91.6 | 0 | 0 | 0 | 112.3 | I83 L84 M87 A114 V115 T116 D120 L121 K122 I131 P132 F134 | I83-Y118 HydrophobicContact CD1-CE2 3.99Å; I83-Y118 HydrophobicContact CG1-CD2 4.35Å; I83-Y118 HydrophobicContact CG1-CE2 3.9Å; I83-Y118 HydrophobicContact CG2-CE2 4.02Å; L84-Y118 HydrophobicContact CD2-CD2 3.94Å; L84-Y118 HydrophobicContact CD2-CE2 3.57Å; L84-Y118 HydrophobicContact CG-CE2 4.27Å; M87-Y118 HydrophobicContact CB-CD2 4.34Å; M87-Y118 HydrophobicContact CG-CD2 4.33Å; M87-Y118 HydrophobicContact SD-CD2 4.12Å; A114-Y118 VanDerWaalsContact O-CB 3.31Å; A114-Y118 WeakPolarHBondContact O-CB 3.44Å; A114-Y118 PolarHBondContact O-N 2.65Å; V115-Y118 PolarHBondContact O-N 2.67Å; T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 PolarHBondContact O-N 3.46Å; Y118-D120 VanDerWaalsContact C-N 3.32Å; Y118-D120 PolarHBondContact O-N 3.29Å; Y118-L121 PolarHBondContact O-N 2.85Å; Y118-K122 VanDerWaalsContact O-CB 3.31Å; Y118-K122 WeakPolarHBondContact O-CB 3.19Å; Y118-K122 PolarHBondContact O-N 3.21Å; Y118-I131 HydrophobicContact CE1-CG2 4.09Å; Y118-I131 WeakPolarHBondContact OH-CG2 3.44Å; Y118-P132 PolarHBondContact OH-O 3.16Å; Y118-F134 HydrophobicContact CD1-CB 3.28Å; Y118-F134 HydrophobicContact CD1-CD1 4.31Å; Y118-F134 HydrophobicContact CD1-CG 4.14Å; Y118-F134 HydrophobicContact CD2-CB 3.79Å; Y118-F134 HydrophobicContact CD2-CD1 4.19Å; Y118-F134 AromaticContact CD2-CG 3.95Å; Y118-F134 HydrophobicContact CD2-CG 3.95Å; Y118-F134 HydrophobicContact CE1-CB 3.34Å; Y118-F134 HydrophobicContact CE1-CG 4.48Å; Y118-F134 HydrophobicContact CE2-CB 3.85Å; Y118-F134 HydrophobicContact CE2-CG 4.32Å; Y118-F134 HydrophobicContact CG-CB 3.49Å; Y118-F134 VanDerWaalsContact CG-CB 3.49Å; Y118-F134 AromaticContact CG-CD1 3.81Å; Y118-F134 HydrophobicContact CG-CD1 3.81Å; Y118-F134 AromaticContact CG-CG 3.85Å; Y118-F134 HydrophobicContact CG-CG 3.85Å |
| 119 | E | 96.1 | Very high | 93.1 | Very high | 72 Ų | 72 | 67.3 Ų | 67.3 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 177 | -69.9 | -57.4 | 138.6 | 0 | 0 | 111.6 | V115 T116 K122 K123 | V115-E119 HydrophobicContact CG1-CG 4.29Å; V115-E119 WeakPolarHBondContact O-CG 3.42Å; V115-E119 PolarHBondContact O-N 2.83Å; T116-E119 PolarHBondContact O-N 3.46Å; E119-K122 PolarHBondContact O-N 3.41Å; E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.46Å; E119-K123 PolarHBondContact O-N 2.97Å |
| 120 | D | 96.1 | Very high | 93 | Very high | 69 Ų | 69 | 72 Ų | 72 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.1 | -68.2 | -20.7 | 0 | 0 | 0 | 111.8 | T116 I117 Y118 K122 K123 Q124 | T116-D120 VanDerWaalsContact O-CG 3.27Å; T116-D120 PolarHBondContact O-N 3.49Å; I117-D120 PolarHBondContact O-N 2.9Å; Y118-D120 VanDerWaalsContact C-N 3.32Å; Y118-D120 PolarHBondContact O-N 3.29Å; D120-K122 VanDerWaalsContact C-N 3.32Å; D120-K122 PolarHBondContact O-N 3.43Å; D120-K123 PolarHBondContact O-N 3.41Å; D120-K123 IonicContact OD1-NZ 2.88Å; D120-Q124 VanDerWaalsContact O-CG 3.31Å; D120-Q124 WeakPolarHBondContact O-CG 3.44Å; D120-Q124 PolarHBondContact O-N 3.34Å |
| 121 | L | 95.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 73 Ų | 73 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 173.9 | -72.4 | 172.7 | 0 | 0 | 0 | 112.2 | I83 E86 M87 L90 I117 Y118 K123 Q124 S125 | I83-L121 HydrophobicContact CD1-CB 4.23Å; I83-L121 HydrophobicContact CG1-CB 4.13Å; I83-L121 HydrophobicContact CG1-CD1 4.47Å; E86-L121 HydrophobicContact CB-CD1 4.18Å; E86-L121 HydrophobicContact CG-CD1 4Å; E86-L121 HydrophobicContact CG-CD2 3.96Å; M87-L121 HydrophobicContact CB-CD1 3.68Å; L90-L121 HydrophobicContact CD1-CD1 4.27Å; L90-L121 HydrophobicContact CD1-CD2 4.2Å; L90-L121 HydrophobicContact CD1-CG 4.44Å; I117-L121 HydrophobicContact CG2-CD1 3.97Å; I117-L121 HydrophobicContact CG2-CG 4.39Å; I117-L121 WeakPolarHBondContact O-CB 3.33Å; I117-L121 WeakPolarHBondContact O-CG 3.36Å; I117-L121 PolarHBondContact O-N 2.95Å; Y118-L121 PolarHBondContact O-N 2.85Å; L121-K123 PolarHBondContact O-N 3.15Å; L121-Q124 PolarHBondContact O-N 2.98Å; L121-S125 PolarHBondContact O-N 2.94Å; L121-S125 VanDerWaalsContact O-N 3.17Å |
| 122 | K | 94.5 | Very high | 92.8 | Very high | 45 Ų | 45 | 74.4 Ų | 74.4 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 177 | -179.1 | 173 | 179.7 | 172.9 | 0 | 111.5 | Y118 E119 D120 Q124 S125 P128 I131 | Y118-K122 VanDerWaalsContact O-CB 3.31Å; Y118-K122 WeakPolarHBondContact O-CB 3.19Å; Y118-K122 PolarHBondContact O-N 3.21Å; E119-K122 PolarHBondContact O-N 3.41Å; D120-K122 VanDerWaalsContact C-N 3.32Å; D120-K122 PolarHBondContact O-N 3.43Å; K122-Q124 VanDerWaalsContact C-N 3.29Å; K122-Q124 PolarHBondContact O-N 3.14Å; K122-S125 PolarHBondContact O-N 3.43Å; K122-P128 WeakPolarHBondContact CE-O 3.36Å; K122-P128 HydrophobicContact CG-CB 4.47Å; K122-I131 HydrophobicContact CB-CD1 4.38Å; K122-I131 HydrophobicContact CB-CG2 4.45Å; K122-I131 HydrophobicContact CD-CB 4.23Å; K122-I131 HydrophobicContact CD-CG2 4.02Å; K122-I131 HydrophobicContact CG-CB 4.05Å; K122-I131 HydrophobicContact CG-CD1 4.01Å; K122-I131 HydrophobicContact CG-CG2 4.01Å; K122-I131 PolarHBondContact NZ-O 2.88Å |
| 123 | K | 93.6 | Very high | 92.7 | Very high | 150 Ų | 150 | 73.4 Ų | 73.4 | 65% | 0.652 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.2 | -30.7 | 176.3 | -69.7 | 167.3 | -170.9 | 167.5 | 0 | 113.2 | E119 D120 L121 | E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.46Å; E119-K123 PolarHBondContact O-N 2.97Å; D120-K123 PolarHBondContact O-N 3.41Å; D120-K123 IonicContact OD1-NZ 2.88Å; L121-K123 PolarHBondContact O-N 3.15Å |
| 124 | Q | 91.7 | Very high | 92.6 | Very high | 154 Ų | 154 | 71.4 Ų | 71.4 | 72% | 0.72 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -82.8 | -11.6 | 179.6 | -68.6 | 172 | 32.9 | 0 | 0 | 113.5 | D120 L121 K122 | D120-Q124 VanDerWaalsContact O-CG 3.31Å; D120-Q124 WeakPolarHBondContact O-CG 3.44Å; D120-Q124 PolarHBondContact O-N 3.34Å; L121-Q124 PolarHBondContact O-N 2.98Å; K122-Q124 VanDerWaalsContact C-N 3.29Å; K122-Q124 PolarHBondContact O-N 3.14Å |
| 125 | S | 90.3 | Very high | 92.4 | Very high | 51 Ų | 51 | 76.1 Ų | 76.1 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -76 | 153.1 | -179.5 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | L121 K122 N127 I131 | L121-S125 PolarHBondContact O-N 2.94Å; L121-S125 VanDerWaalsContact O-N 3.17Å; K122-S125 PolarHBondContact O-N 3.43Å; S125-N127 VanDerWaalsContact C-N 3.3Å; S125-N127 PolarHBondContact O-N 3Å; S125-I131 WeakPolarHBondContact OG-CD1 3.46Å |
| 126 | T | 88 | Confident | 92.1 | Very high | 134 Ų | 134 | 73.6 Ų | 73.6 | 82% | 0.822 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -56.4 | -41.4 | 176.8 | -45.7 | 0 | 0 | 0 | 0 | 112.7 | P128 | T126-P128 WeakPolarHBondContact O-CD 3.47Š|
| 127 | N | 87.5 | Confident | 91.7 | Very high | 77 Ų | 77 | 71.8 Ų | 71.8 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | trans | -125.5 | 77.3 | -176 | -65.9 | -21.3 | 0 | 0 | 0 | 111 | S125 T129 E130 | S125-N127 VanDerWaalsContact C-N 3.3Å; S125-N127 PolarHBondContact O-N 3Å; N127-T129 PolarHBondContact O-N 2.96Å; N127-E130 HydrophobicContact CB-CB 4.13Å; N127-E130 HydrophobicContact CB-CG 3.98Å; N127-E130 WeakPolarHBondContact CB-OE2 3.4Å; N127-E130 PolarHBondContact ND2-OE2 3.42Å; N127-E130 PolarHBondContact O-N 3.22Å; N127-E130 VanDerWaalsContact O-N 3.17Å | ||
| 128 | P | 84.2 | Confident | 91.2 | Very high | 54 Ų | 54 | 71.1 Ų | 71.1 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -60.1 | -31.2 | -176.4 | 23.3 | -33.6 | 0 | 0 | 0 | 113.1 | K122 T126 E130 I131 | K122-P128 WeakPolarHBondContact CE-O 3.36Å; K122-P128 HydrophobicContact CG-CB 4.47Å; T126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-E130 VanDerWaalsContact C-N 3.33Å; P128-E130 PolarHBondContact O-N 3.02Å; P128-I131 PolarHBondContact O-N 3.18Å |
| 129 | T | 87.4 | Confident | 90.7 | Very high | 137 Ų | 137 | 72.2 Ų | 72.2 | 84% | 0.84 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -70.9 | -26.5 | -178.8 | -46.1 | 0 | 0 | 0 | 0 | 113.2 | N127 I131 | N127-T129 PolarHBondContact O-N 2.96Å; T129-I131 VanDerWaalsContact C-N 3.32Å |
| 130 | E | 87.8 | Confident | 90.4 | Very high | 146 Ų | 146 | 69.1 Ų | 69.1 | 68% | 0.682 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -81.8 | -14.8 | -179.8 | -65.4 | 179.8 | 167.9 | 0 | 0 | 112.6 | N127 P128 P132 | N127-E130 HydrophobicContact CB-CB 4.13Å; N127-E130 HydrophobicContact CB-CG 3.98Å; N127-E130 WeakPolarHBondContact CB-OE2 3.4Å; N127-E130 PolarHBondContact ND2-OE2 3.42Å; N127-E130 PolarHBondContact O-N 3.22Å; N127-E130 VanDerWaalsContact O-N 3.17Å; P128-E130 VanDerWaalsContact C-N 3.33Å; P128-E130 PolarHBondContact O-N 3.02Å; E130-P132 WeakPolarHBondContact O-CD 3.43Å |
| 131 | I | 89 | Confident | 90.2 | Very high | 22 Ų | 22 | 65.9 Ų | 65.9 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -79 | 119.2 | -177.1 | -66 | 170.5 | 0 | 0 | 0 | 110.1 | I83 Y118 K122 S125 P128 T129 | I83-I131 HydrophobicContact CD1-CD1 3.8Å; I83-I131 HydrophobicContact CD1-CG1 4.45Å; I83-I131 HydrophobicContact CD1-CG2 3.76Å; Y118-I131 HydrophobicContact CE1-CG2 4.09Å; Y118-I131 WeakPolarHBondContact OH-CG2 3.44Å; K122-I131 HydrophobicContact CB-CD1 4.38Å; K122-I131 HydrophobicContact CB-CG2 4.45Å; K122-I131 HydrophobicContact CD-CB 4.23Å; K122-I131 HydrophobicContact CD-CG2 4.02Å; K122-I131 HydrophobicContact CG-CB 4.05Å; K122-I131 HydrophobicContact CG-CD1 4.01Å; K122-I131 HydrophobicContact CG-CG2 4.01Å; K122-I131 PolarHBondContact NZ-O 2.88Å; S125-I131 WeakPolarHBondContact OG-CD1 3.46Å; P128-I131 PolarHBondContact O-N 3.18Å; T129-I131 VanDerWaalsContact C-N 3.32Å |
| 132 | P | 89.8 | Confident | 89.7 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 58% | 0.578 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 150.8 | 177.9 | -24 | 34.6 | 0 | 0 | 0 | 112.6 | Y118 E130 | Y118-P132 PolarHBondContact OH-O 3.16Å; E130-P132 WeakPolarHBondContact O-CD 3.43Å |
| 133 | P | 92.1 | Very high | 89.3 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 73% | 0.727 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 139.9 | 173.2 | 27.6 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 134 | F | 93.9 | Very high | 89.2 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 13% | 0.127 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -94 | 128.7 | 175.8 | 171 | -121.6 | 0 | 0 | 0 | 111.1 | L84 M87 A114 V115 Y118 A136 W140 | L84-F134 HydrophobicContact CD2-CD2 3.71Å; L84-F134 HydrophobicContact CD2-CE2 3.99Å; L84-F134 HydrophobicContact CD2-CG 4.42Å; M87-F134 HydrophobicContact CE-CZ 4.25Å; M87-F134 HydrophobicContact SD-CD1 4.2Å; M87-F134 HydrophobicContact SD-CE1 3.64Å; M87-F134 HydrophobicContact SD-CE2 4.45Å; M87-F134 HydrophobicContact SD-CZ 3.79Å; A114-F134 HydrophobicContact CB-CE1 3.91Å; A114-F134 HydrophobicContact CB-CZ 4.31Å; V115-F134 HydrophobicContact CG2-CD1 4.41Å; V115-F134 HydrophobicContact CG2-CE1 4.41Å; Y118-F134 HydrophobicContact CD1-CB 3.28Å; Y118-F134 HydrophobicContact CD1-CD1 4.31Å; Y118-F134 HydrophobicContact CD1-CG 4.14Å; Y118-F134 HydrophobicContact CD2-CB 3.79Å; Y118-F134 HydrophobicContact CD2-CD1 4.19Å; Y118-F134 AromaticContact CD2-CG 3.95Å; Y118-F134 HydrophobicContact CD2-CG 3.95Å; Y118-F134 HydrophobicContact CE1-CB 3.34Å; Y118-F134 HydrophobicContact CE1-CG 4.48Å; Y118-F134 HydrophobicContact CE2-CB 3.85Å; Y118-F134 HydrophobicContact CE2-CG 4.32Å; Y118-F134 HydrophobicContact CG-CB 3.49Å; Y118-F134 VanDerWaalsContact CG-CB 3.49Å; Y118-F134 AromaticContact CG-CD1 3.81Å; Y118-F134 HydrophobicContact CG-CD1 3.81Å; Y118-F134 AromaticContact CG-CG 3.85Å; Y118-F134 HydrophobicContact CG-CG 3.85Å; F134-A136 HydrophobicContact CD1-CB 4.45Å; F134-A136 HydrophobicContact CE1-CB 3.62Å; F134-A136 HydrophobicContact CZ-CB 3.68Å; F134-W140 AromaticContact CE2-CD2 3.95Å; F134-W140 HydrophobicContact CE2-CD2 3.95Å; F134-W140 AromaticContact CE2-CE2 3.94Å; F134-W140 HydrophobicContact CE2-CG 4.06Å; F134-W140 AromaticContact CZ-CD2 3.72Å; F134-W140 HydrophobicContact CZ-CD2 3.72Å; F134-W140 AromaticContact CZ-CE2 3.64Å; F134-W140 AromaticContact CZ-CE3 3.99Å; F134-W140 HydrophobicContact CZ-CE3 3.99Å; F134-W140 HydrophobicContact CZ-CG 4.32Å; F134-W140 HydrophobicContact CZ-CH2 4.11Å; F134-W140 AromaticContact CZ-CZ2 3.86Å; F134-W140 HydrophobicContact CZ-CZ2 3.86Å; F134-W140 HydrophobicContact CZ-CZ3 4.17Å |
| 135 | T | 92.3 | Very high | 89 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 60% | 0.601 | 35% | 0.347 | S | S | * | . | trans | -111.6 | 111.5 | 170.4 | -58.4 | 0 | 0 | 0 | 0 | 109.2 | S137 | T135-S137 PolarHBondContact O-N 3.3Š| ||
| 136 | A | 91.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | trans | -78.1 | 67.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R111 V115 F134 W140 | R111-A136 HydrophobicContact CB-CB 4.47Å; R111-A136 VanDerWaalsContact CD-O 3.32Å; R111-A136 WeakPolarHBondContact CD-O 3.46Å; R111-A136 HydrophobicContact CG-CB 3.43Å; R111-A136 VanDerWaalsContact CG-CB 3.43Å; R111-A136 WeakPolarHBondContact CG-O 3.45Å; R111-A136 PolarHBondContact NE-O 3.46Å; R111-A136 VanDerWaalsContact NE-O 3.08Å; V115-A136 HydrophobicContact CG2-CB 3.98Å; F134-A136 HydrophobicContact CD1-CB 4.45Å; F134-A136 HydrophobicContact CE1-CB 3.62Å; F134-A136 HydrophobicContact CZ-CB 3.68Å; A136-W140 HydrophobicContact CB-CE3 3.98Å; A136-W140 HydrophobicContact CB-CZ3 3.98Å | ||
| 137 | S | 89.1 | Confident | 88.7 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | trans | -77.2 | 161.9 | -179.9 | 63.7 | 0 | 0 | 0 | 0 | 112.6 | T135 G139 W140 F141 | T135-S137 PolarHBondContact O-N 3.3Å; S137-G139 PolarHBondContact O-N 3.11Å; S137-W140 PolarHBondContact O-N 3.03Å; S137-W140 VanDerWaalsContact O-N 3.1Å; S137-W140 PolarHBondContact OG-N 3.03Å; S137-F141 PolarHBondContact O-N 3.11Å | ||
| 138 | S | 87.2 | Confident | 88.7 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -51.7 | -41.5 | 171.9 | 179.7 | 0 | 0 | 0 | 0 | 112.8 | W140 F141 C142 D236 D238 | S138-W140 PolarHBondContact O-N 3.34Å; S138-F141 PolarHBondContact O-N 3.35Å; S138-C142 WeakPolarHBondContact O-CB 3.2Å; S138-C142 PolarHBondContact O-N 2.97Å; S138-D236 PolarHBondContact N-O 2.79Å; S138-D238 WeakPolarHBondContact CB-O 3.49Å; S138-D238 PolarHBondContact OG-O 3.11Å |
| 139 | G | 86.1 | Confident | 88.6 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 29% | 0.289 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S137 R143 | S137-G139 PolarHBondContact O-N 3.11Å; G139-R143 WeakPolarHBondContact O-CG 3.34Å; G139-R143 PolarHBondContact O-N 3.35Å; G139-R143 PolarHBondContact O-NE 3.08Å; G139-R143 PolarHBondContact O-NH1 3.49Å |
| 140 | W | 90.8 | Very high | 88.1 | Confident | 8 Ų | 8 | 58 Ų | 58 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 172 | 162.1 | 75.6 | 0 | 0 | 0 | 110.6 | R80 M87 E88 L91 A114 F134 A136 S137 S138 C142 R143 F144 | R80-W140 VanDerWaalsContact NH2-CD1 3.27Å; M87-W140 HydrophobicContact CE-CZ2 3.58Å; M87-W140 HydrophobicContact SD-CZ2 4.45Å; E88-W140 HydrophobicContact CG-CZ2 4.29Å; E88-W140 PolarHBondContact OE1-NE1 2.67Å; L91-W140 HydrophobicContact CD2-CH2 3.59Å; L91-W140 HydrophobicContact CD2-CZ2 3.99Å; A114-W140 HydrophobicContact CB-CH2 3.43Å; A114-W140 VanDerWaalsContact CB-CH2 3.43Å; A114-W140 HydrophobicContact CB-CZ2 4.17Å; A114-W140 HydrophobicContact CB-CZ3 4.02Å; F134-W140 AromaticContact CE2-CD2 3.95Å; F134-W140 HydrophobicContact CE2-CD2 3.95Å; F134-W140 AromaticContact CE2-CE2 3.94Å; F134-W140 HydrophobicContact CE2-CG 4.06Å; F134-W140 AromaticContact CZ-CD2 3.72Å; F134-W140 HydrophobicContact CZ-CD2 3.72Å; F134-W140 AromaticContact CZ-CE2 3.64Å; F134-W140 AromaticContact CZ-CE3 3.99Å; F134-W140 HydrophobicContact CZ-CE3 3.99Å; F134-W140 HydrophobicContact CZ-CG 4.32Å; F134-W140 HydrophobicContact CZ-CH2 4.11Å; F134-W140 AromaticContact CZ-CZ2 3.86Å; F134-W140 HydrophobicContact CZ-CZ2 3.86Å; F134-W140 HydrophobicContact CZ-CZ3 4.17Å; A136-W140 HydrophobicContact CB-CE3 3.98Å; A136-W140 HydrophobicContact CB-CZ3 3.98Å; S137-W140 PolarHBondContact O-N 3.03Å; S137-W140 VanDerWaalsContact O-N 3.1Å; S137-W140 PolarHBondContact OG-N 3.03Å; S138-W140 PolarHBondContact O-N 3.34Å; W140-C142 VanDerWaalsContact C-N 3.32Å; W140-C142 PolarHBondContact O-N 2.7Å; W140-R143 WeakPolarHBondContact O-CB 3.42Å; W140-R143 PolarHBondContact O-N 2.85Å; W140-R143 VanDerWaalsContact O-N 3.1Å; W140-F144 HydrophobicContact CZ2-CB 4.25Å; W140-F144 HydrophobicContact CZ2-CG 4.27Å; W140-F144 PolarHBondContact O-N 3.23Å |
| 141 | F | 90.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | -178.7 | 178.9 | -104.8 | 0 | 0 | 0 | 112.8 | F107 V110 S137 S138 R143 F144 K145 L155 | F107-F141 HydrophobicContact CD2-CB 4.19Å; F107-F141 AromaticContact CD2-CD1 3.44Å; F107-F141 HydrophobicContact CD2-CD1 3.44Å; F107-F141 VanDerWaalsContact CD2-CD1 3.44Å; F107-F141 HydrophobicContact CD2-CD2 4.15Å; F107-F141 AromaticContact CD2-CE1 3.75Å; F107-F141 HydrophobicContact CD2-CE1 3.75Å; F107-F141 HydrophobicContact CD2-CE2 4.43Å; F107-F141 AromaticContact CD2-CG 3.65Å; F107-F141 HydrophobicContact CD2-CG 3.65Å; F107-F141 HydrophobicContact CD2-CZ 4.24Å; F107-F141 HydrophobicContact CE2-CB 3.69Å; F107-F141 AromaticContact CE2-CD1 3.75Å; F107-F141 HydrophobicContact CE2-CD1 3.75Å; F107-F141 HydrophobicContact CE2-CD2 4.41Å; F107-F141 HydrophobicContact CE2-CE1 4.5Å; F107-F141 AromaticContact CE2-CG 3.68Å; F107-F141 HydrophobicContact CE2-CG 3.68Å; V110-F141 HydrophobicContact CB-CE2 3.96Å; V110-F141 HydrophobicContact CG1-CD2 4.07Å; V110-F141 HydrophobicContact CG1-CE2 3.73Å; V110-F141 HydrophobicContact CG2-CE2 4.17Å; S137-F141 PolarHBondContact O-N 3.11Å; S138-F141 PolarHBondContact O-N 3.35Å; F141-R143 PolarHBondContact O-N 3.05Å; F141-F144 HydrophobicContact CD2-CD1 4.21Å; F141-F144 HydrophobicContact CE2-CD1 4.32Å; F141-F144 PolarHBondContact O-N 2.88Å; F141-K145 HydrophobicContact CD1-CD 4.28Å; F141-K145 HydrophobicContact CD1-CG 4.42Å; F141-K145 HydrophobicContact CE1-CD 3.51Å; F141-K145 VanDerWaalsContact CE1-CE 3.47Å; F141-K145 HydrophobicContact CE1-CG 3.93Å; F141-K145 HydrophobicContact CE2-CG 4.2Å; F141-K145 HydrophobicContact CZ-CD 3.65Å; F141-K145 HydrophobicContact CZ-CG 3.79Å; F141-K145 PolarHBondContact O-N 2.94Å; F141-L155 HydrophobicContact CE1-CB 4.28Å; F141-L155 HydrophobicContact CE2-CD1 3.96Å; F141-L155 HydrophobicContact CZ-CB 3.55Å; F141-L155 HydrophobicContact CZ-CD1 3.59Å; F141-L155 HydrophobicContact CZ-CG 4.17Å |
| 142 | C | 85.9 | Confident | 85.8 | Confident | 53 Ų | 53 | 63.7 Ų | 63.7 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 112 | S138 W140 K145 N146 | S138-C142 WeakPolarHBondContact O-CB 3.2Å; S138-C142 PolarHBondContact O-N 2.97Å; W140-C142 VanDerWaalsContact C-N 3.32Å; W140-C142 PolarHBondContact O-N 2.7Å; C142-K145 PolarHBondContact O-N 2.76Å; C142-N146 PolarHBondContact O-N 2.87Å |
| 143 | R | 87.5 | Confident | 84.6 | Confident | 151 Ų | 151 | 61 Ų | 61 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.5 | -42.8 | 175.5 | -70.4 | -175.5 | -71.5 | -89.5 | 3.7 | 112 | G139 W140 F141 N146 Q147 | G139-R143 WeakPolarHBondContact O-CG 3.34Å; G139-R143 PolarHBondContact O-N 3.35Å; G139-R143 PolarHBondContact O-NE 3.08Å; G139-R143 PolarHBondContact O-NH1 3.49Å; W140-R143 WeakPolarHBondContact O-CB 3.42Å; W140-R143 PolarHBondContact O-N 2.85Å; W140-R143 VanDerWaalsContact O-N 3.1Å; F141-R143 PolarHBondContact O-N 3.05Å; R143-N146 PolarHBondContact O-N 3.42Å; R143-Q147 WeakPolarHBondContact O-CB 3.43Å; R143-Q147 PolarHBondContact O-N 3.28Å |
| 144 | F | 90.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 175.8 | 166.9 | -105.8 | 0 | 0 | 0 | 111.7 | E88 L91 I95 V110 W140 F141 N146 Q147 Y148 F150 | E88-F144 HydrophobicContact CB-CD2 3.93Å; E88-F144 HydrophobicContact CB-CE2 4.01Å; E88-F144 HydrophobicContact CG-CD2 3.77Å; E88-F144 HydrophobicContact CG-CE2 4.27Å; L91-F144 HydrophobicContact CB-CZ 4.29Å; L91-F144 HydrophobicContact CD2-CE1 4.01Å; L91-F144 HydrophobicContact CD2-CE2 4.2Å; L91-F144 HydrophobicContact CD2-CZ 3.8Å; L91-F144 HydrophobicContact CG-CE1 4.44Å; L91-F144 HydrophobicContact CG-CZ 3.96Å; I95-F144 HydrophobicContact CD1-CE1 3.57Å; I95-F144 HydrophobicContact CD1-CZ 3.78Å; V110-F144 HydrophobicContact CG1-CE1 4.38Å; W140-F144 HydrophobicContact CZ2-CB 4.25Å; W140-F144 HydrophobicContact CZ2-CG 4.27Å; W140-F144 PolarHBondContact O-N 3.23Å; F141-F144 HydrophobicContact CD2-CD1 4.21Å; F141-F144 HydrophobicContact CE2-CD1 4.32Å; F141-F144 PolarHBondContact O-N 2.88Å; F144-N146 VanDerWaalsContact C-N 3.33Å; F144-N146 PolarHBondContact O-N 2.96Å; F144-Q147 PolarHBondContact O-N 3.15Å; F144-Y148 AromaticContact CD2-CD2 3.5Å; F144-Y148 HydrophobicContact CD2-CD2 3.5Å; F144-Y148 VanDerWaalsContact CD2-CD2 3.5Å; F144-Y148 AromaticContact CD2-CE2 3.71Å; F144-Y148 HydrophobicContact CD2-CE2 3.71Å; F144-Y148 HydrophobicContact CD2-CG 4.44Å; F144-Y148 AromaticContact CE2-CD2 3.46Å; F144-Y148 HydrophobicContact CE2-CD2 3.46Å; F144-Y148 VanDerWaalsContact CE2-CD2 3.46Å; F144-Y148 AromaticContact CE2-CE2 3.69Å; F144-Y148 HydrophobicContact CE2-CE2 3.69Å; F144-Y148 HydrophobicContact CE2-CG 4.04Å; F144-Y148 HydrophobicContact CG-CD2 4.48Å; F144-Y148 HydrophobicContact CZ-CD2 4.41Å; F144-Y148 WeakPolarHBondContact O-CD2 3.29Å; F144-Y148 PolarHBondContact O-N 2.95Å; F144-F150 AromaticContact CE1-CD2 3.91Å; F144-F150 HydrophobicContact CE1-CD2 3.91Å; F144-F150 AromaticContact CE1-CE2 3.83Å; F144-F150 HydrophobicContact CE1-CE2 3.83Å; F144-F150 HydrophobicContact CE2-CE2 4.27Å; F144-F150 HydrophobicContact CZ-CD2 4.08Å; F144-F150 AromaticContact CZ-CE2 3.53Å; F144-F150 HydrophobicContact CZ-CE2 3.53Å |
| 145 | K | 87.8 | Confident | 81.9 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.9 | -43.9 | 175.9 | -76.6 | -165.1 | -62.8 | 176.6 | 0 | 112.8 | F141 C142 Q147 S149 F150 L155 | F141-K145 HydrophobicContact CD1-CD 4.28Å; F141-K145 HydrophobicContact CD1-CG 4.42Å; F141-K145 HydrophobicContact CE1-CD 3.51Å; F141-K145 VanDerWaalsContact CE1-CE 3.47Å; F141-K145 HydrophobicContact CE1-CG 3.93Å; F141-K145 HydrophobicContact CE2-CG 4.2Å; F141-K145 HydrophobicContact CZ-CD 3.65Å; F141-K145 HydrophobicContact CZ-CG 3.79Å; F141-K145 PolarHBondContact O-N 2.94Å; C142-K145 PolarHBondContact O-N 2.76Å; K145-Q147 VanDerWaalsContact C-N 3.33Å; K145-S149 WeakPolarHBondContact O-CA 3.33Å; K145-S149 PolarHBondContact O-N 3.24Å; K145-F150 HydrophobicContact CB-CB 4.49Å; K145-F150 HydrophobicContact CG-CB 4.34Å; K145-F150 PolarHBondContact O-N 2.91Å; K145-L155 HydrophobicContact CD-CD1 4.15Å; K145-L155 HydrophobicContact CG-CD1 4.14Å |
| 146 | N | 85.7 | Confident | 80.4 | Confident | 95 Ų | 95 | 62 Ų | 62 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 179 | -68.9 | -13.4 | 0 | 0 | 0 | 111.9 | C142 R143 F144 | C142-N146 PolarHBondContact O-N 2.87Å; R143-N146 PolarHBondContact O-N 3.42Å; F144-N146 VanDerWaalsContact C-N 3.33Å; F144-N146 PolarHBondContact O-N 2.96Å |
| 147 | Q | 86 | Confident | 78.5 | Confident | 140 Ų | 140 | 63.5 Ų | 63.5 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.1 | -40.9 | 180 | -177.1 | 64.5 | 32.6 | 0 | 0 | 112.3 | R143 F144 K145 | R143-Q147 WeakPolarHBondContact O-CB 3.43Å; R143-Q147 PolarHBondContact O-N 3.28Å; F144-Q147 PolarHBondContact O-N 3.15Å; K145-Q147 VanDerWaalsContact C-N 3.33Å |
| 148 | Y | 87.9 | Confident | 76.8 | Confident | 68 Ų | 68 | 71.2 Ų | 71.2 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 11.5 | -178.6 | -70.4 | -96.3 | 0 | 0 | 0 | 112.8 | E88 K89 S92 F144 F150 | E88-Y148 HydrophobicContact CB-CE2 3.69Å; E88-Y148 WeakPolarHBondContact CB-OH 2.99Å; K89-Y148 WeakPolarHBondContact CA-OH 3.34Å; K89-Y148 PolarHBondContact N-OH 2.97Å; K89-Y148 VanDerWaalsContact N-OH 3.13Å; S92-Y148 WeakPolarHBondContact OG-CE1 3.36Å; F144-Y148 AromaticContact CD2-CD2 3.5Å; F144-Y148 HydrophobicContact CD2-CD2 3.5Å; F144-Y148 VanDerWaalsContact CD2-CD2 3.5Å; F144-Y148 AromaticContact CD2-CE2 3.71Å; F144-Y148 HydrophobicContact CD2-CE2 3.71Å; F144-Y148 HydrophobicContact CD2-CG 4.44Å; F144-Y148 AromaticContact CE2-CD2 3.46Å; F144-Y148 HydrophobicContact CE2-CD2 3.46Å; F144-Y148 VanDerWaalsContact CE2-CD2 3.46Å; F144-Y148 AromaticContact CE2-CE2 3.69Å; F144-Y148 HydrophobicContact CE2-CE2 3.69Å; F144-Y148 HydrophobicContact CE2-CG 4.04Å; F144-Y148 HydrophobicContact CG-CD2 4.48Å; F144-Y148 HydrophobicContact CZ-CD2 4.41Å; F144-Y148 WeakPolarHBondContact O-CD2 3.29Å; F144-Y148 PolarHBondContact O-N 2.95Å; Y148-F150 HydrophobicContact CG-CE2 4.03Å; Y148-F150 PolarHBondContact O-N 3.43Å; Y148-F150 VanDerWaalsContact O-N 3.15Å |
| 149 | S | 82.4 | Confident | 75.1 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 56% | 0.559 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 36 | 177.3 | -58.3 | 0 | 0 | 0 | 0 | 114.4 | K145 H151 | K145-S149 WeakPolarHBondContact O-CA 3.33Å; K145-S149 PolarHBondContact O-N 3.24Å; S149-H151 PolarHBondContact O-N 3.38Å |
| 150 | F | 77 | Confident | 73.4 | Confident | 21 Ų | 21 | 75.5 Ų | 75.5 | 9% | 0.092 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | 50.5 | 176 | -67.1 | -54.7 | 0 | 0 | 0 | 112.1 | I95 F144 K145 Y148 V153 L155 | I95-F150 HydrophobicContact CB-CZ 4.27Å; I95-F150 HydrophobicContact CD1-CD2 4.48Å; I95-F150 HydrophobicContact CD1-CE2 4.08Å; I95-F150 HydrophobicContact CD1-CZ 4.41Å; I95-F150 HydrophobicContact CG2-CD1 4.4Å; I95-F150 HydrophobicContact CG2-CE1 4.02Å; I95-F150 HydrophobicContact CG2-CZ 4.18Å; F144-F150 AromaticContact CE1-CD2 3.91Å; F144-F150 HydrophobicContact CE1-CD2 3.91Å; F144-F150 AromaticContact CE1-CE2 3.83Å; F144-F150 HydrophobicContact CE1-CE2 3.83Å; F144-F150 HydrophobicContact CE2-CE2 4.27Å; F144-F150 HydrophobicContact CZ-CD2 4.08Å; F144-F150 AromaticContact CZ-CE2 3.53Å; F144-F150 HydrophobicContact CZ-CE2 3.53Å; K145-F150 HydrophobicContact CB-CB 4.49Å; K145-F150 HydrophobicContact CG-CB 4.34Å; K145-F150 PolarHBondContact O-N 2.91Å; Y148-F150 HydrophobicContact CG-CE2 4.03Å; Y148-F150 PolarHBondContact O-N 3.43Å; Y148-F150 VanDerWaalsContact O-N 3.15Å; F150-V153 HydrophobicContact CB-CB 4.45Å; F150-V153 HydrophobicContact CB-CG2 4.44Å; F150-V153 HydrophobicContact CD1-CG2 3.75Å; F150-V153 HydrophobicContact CG-CG2 4.48Å; F150-L155 HydrophobicContact CB-CD1 4.29Å |
| 151 | H | 67 | Low | 71.5 | Confident | 130 Ų | 130 | 79.1 Ų | 79.1 | 60% | 0.602 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -31.6 | 176.3 | -60.8 | -61.1 | 0 | 0 | 0 | 111.7 | S149 | S149-H151 PolarHBondContact O-N 3.38Š|
| 152 | N | 61.8 | Low | 69.6 | Low | 157 Ų | 157 | 81.6 Ų | 81.6 | 84% | 0.84 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -90.5 | -18.3 | -175.7 | -62 | -22.4 | 0 | 0 | 0 | 113.3 | R154 | N152-R154 PolarHBondContact O-N 2.86Š|
| 153 | V | 64 | Low | 67.9 | Low | 34 Ų | 34 | 83.6 Ų | 83.6 | 21% | 0.206 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -83.1 | 111.7 | 176.9 | -167.8 | 0 | 0 | 0 | 0 | 107.2 | I95 F150 L155 | I95-V153 HydrophobicContact CG2-CG1 4.25Å; F150-V153 HydrophobicContact CB-CB 4.45Å; F150-V153 HydrophobicContact CB-CG2 4.44Å; F150-V153 HydrophobicContact CD1-CG2 3.75Å; F150-V153 HydrophobicContact CG-CG2 4.48Å; V153-L155 HydrophobicContact CB-CD1 4.42Å; V153-L155 HydrophobicContact CB-CD2 4.33Å; V153-L155 HydrophobicContact CB-CG 4Å; V153-L155 HydrophobicContact CG1-CD1 4.36Å; V153-L155 HydrophobicContact CG1-CD2 3.44Å; V153-L155 VanDerWaalsContact CG1-CD2 3.44Å; V153-L155 HydrophobicContact CG1-CG 3.65Å; V153-L155 PolarHBondContact O-N 3.46Å |
| 154 | R | 64.6 | Low | 66.6 | Low | 208 Ų | 208 | 81.6 Ų | 81.6 | 79% | 0.785 | 45% | 0.454 | S | S | * | . | trans | -70.4 | 66.5 | 179.8 | -69.1 | -177.6 | 179.2 | 174.5 | 0 | 111.2 | N152 C156 | N152-R154 PolarHBondContact O-N 2.86Å; R154-C156 PolarHBondContact O-N 3.09Å | ||
| 155 | L | 64.7 | Low | 65.1 | Low | 2 Ų | 2 | 86.8 Ų | 86.8 | 1% | 0.01 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -4.3 | -176.9 | -60.4 | 172.3 | 0 | 0 | 0 | 113.5 | I95 T105 T106 F107 V110 F141 K145 F150 V153 | I95-L155 HydrophobicContact CD1-CD1 4.38Å; T105-L155 HydrophobicContact CG2-CD2 3.63Å; T105-L155 WeakPolarHBondContact O-CD2 3.42Å; T106-L155 CarbonylContact C-O 3.45Å; F107-L155 WeakPolarHBondContact CA-O 3.39Å; F107-L155 WeakPolarHBondContact CB-O 3.34Å; F107-L155 PolarHBondContact N-O 3.29Å; V110-L155 HydrophobicContact CG2-CD1 4.49Å; V110-L155 HydrophobicContact CG2-CD2 3.91Å; F141-L155 HydrophobicContact CE1-CB 4.28Å; F141-L155 HydrophobicContact CE2-CD1 3.96Å; F141-L155 HydrophobicContact CZ-CB 3.55Å; F141-L155 HydrophobicContact CZ-CD1 3.59Å; F141-L155 HydrophobicContact CZ-CG 4.17Å; K145-L155 HydrophobicContact CD-CD1 4.15Å; K145-L155 HydrophobicContact CG-CD1 4.14Å; F150-L155 HydrophobicContact CB-CD1 4.29Å; V153-L155 HydrophobicContact CB-CD1 4.42Å; V153-L155 HydrophobicContact CB-CD2 4.33Å; V153-L155 HydrophobicContact CB-CG 4Å; V153-L155 HydrophobicContact CG1-CD1 4.36Å; V153-L155 HydrophobicContact CG1-CD2 3.44Å; V153-L155 VanDerWaalsContact CG1-CD2 3.44Å; V153-L155 HydrophobicContact CG1-CG 3.65Å; V153-L155 PolarHBondContact O-N 3.46Å |
| 156 | C | 60.4 | Low | 63.8 | Low | 49 Ų | 49 | 86.7 Ų | 86.7 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | 17.5 | -168.4 | -172.3 | 0 | 0 | 0 | 0 | 114.1 | R154 C239 | R154-C156 PolarHBondContact O-N 3.09Å; C156-C239 WeakPolarHBondContact CA-SG 3.31Å; C156-C239 HydrophobicContact CB-CB 3.81Å; C156-C239 WeakPolarHBondContact CB-SG 3.46Å; C156-C239 PolarHBondContact O-SG 3.1Å; C156-C239 WeakPolarHBondContact SG-CB 3.46Å; C156-C239 PolarHBondContact SG-O 3.3Å; C156-C239 CovalentContact SG-SG 2.03Å; C156-C239 PolarHBondContact SG-SG 3.24Å |
| 157 | G | 52.5 | Low | 62.6 | Low | 33 Ų | 33 | 86 Ų | 86 | 34% | 0.34 | 49% | 0.488 | S | S | . | . | trans | -119.3 | 129.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A159 G160 | G157-A159 PolarHBondContact O-N 2.98Å; G157-G160 PolarHBondContact O-N 3.33Å; G157-G160 VanDerWaalsContact O-N 3.11Å | ||
| 158 | E | 53.8 | Low | 61.6 | Low | 192 Ų | 192 | 86 Ų | 86 | 90% | 0.897 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -51.4 | -33.4 | 161.9 | -80.1 | 171.2 | 141.3 | 0 | 0 | 111.6 | G160 S161 | E158-G160 PolarHBondContact O-N 3.48Å; E158-G160 VanDerWaalsContact O-N 3.09Å; E158-S161 PolarHBondContact O-N 2.98Å |
| 159 | A | 51.1 | Low | 60.8 | Low | 88 Ų | 88 | 85.3 Ų | 85.3 | 73% | 0.727 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -66.9 | -9.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G157 | G157-A159 PolarHBondContact O-N 2.98Š|
| 160 | G | 51 | Low | 60.2 | Low | 32 Ų | 32 | 87.7 Ų | 87.7 | 33% | 0.33 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -92 | -14.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | G157 E158 A162 | G157-G160 PolarHBondContact O-N 3.33Å; G157-G160 VanDerWaalsContact O-N 3.11Å; E158-G160 PolarHBondContact O-N 3.48Å; E158-G160 VanDerWaalsContact O-N 3.09Å; G160-A162 VanDerWaalsContact C-N 3.33Å |
| 161 | S | 50.4 | Low | 60.2 | Low | 84 Ų | 84 | 90.3 Ų | 90.3 | 59% | 0.587 | 51% | 0.511 | S | S | * | . | trans | -93.3 | 5.7 | 177.9 | -168 | 0 | 0 | 0 | 0 | 112.8 | E158 D163 | E158-S161 PolarHBondContact O-N 2.98Å; S161-D163 PolarHBondContact O-N 2.82Å | ||
| 162 | A | 49.2 | Very low | 60.7 | Low | 53 Ų | 53 | 88.7 Ų | 88.7 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -63.1 | 95.8 | 161 | 0 | 0 | 0 | 0 | 0 | 105.6 | G160 V164 V167 | G160-A162 VanDerWaalsContact C-N 3.33Å; A162-V164 PolarHBondContact O-N 3.18Å; A162-V167 HydrophobicContact CB-CG2 3.68Å |
| 163 | D | 51.9 | Low | 61.5 | Low | 96 Ų | 96 | 86.7 Ų | 86.7 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | trans | -50.9 | 112.7 | 171.6 | 175.6 | 6.6 | 0 | 0 | 0 | 106 | S161 D165 A166 V167 | S161-D163 PolarHBondContact O-N 2.82Å; D163-D165 PolarHBondContact O-N 3.48Å; D163-D165 VanDerWaalsContact O-N 3.11Å; D163-D165 WeakPolarHBondContact OD1-CB 3.26Å; D163-D165 PolarHBondContact OD1-N 2.93Å; D163-D165 VanDerWaalsContact OD1-N 3.14Å; D163-A166 HydrophobicContact CB-CB 3.67Å; D163-A166 CarbonylContact O-C 3.49Å; D163-A166 PolarHBondContact O-N 3.15Å; D163-V167 VanDerWaalsContact O-CG2 3.32Å; D163-V167 WeakPolarHBondContact O-CG2 3.46Å; D163-V167 PolarHBondContact O-N 3.08Å | ||
| 164 | V | 58.9 | Low | 62.2 | Low | 108 Ų | 108 | 88 Ų | 88 | 66% | 0.655 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.2 | -27.3 | -173.3 | -173 | 0 | 0 | 0 | 0 | 109.4 | A162 Q168 | A162-V164 PolarHBondContact O-N 3.18Å; V164-Q168 PolarHBondContact O-N 3.3Å |
| 165 | D | 59 | Low | 62.8 | Low | 110 Ų | 110 | 83.5 Ų | 83.5 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -71.5 | -49.7 | 174.1 | -142.5 | 41.8 | 0 | 0 | 0 | 110.9 | D163 V167 Q168 T169 | D163-D165 PolarHBondContact O-N 3.48Å; D163-D165 VanDerWaalsContact O-N 3.11Å; D163-D165 WeakPolarHBondContact OD1-CB 3.26Å; D163-D165 PolarHBondContact OD1-N 2.93Å; D163-D165 VanDerWaalsContact OD1-N 3.14Å; D165-V167 VanDerWaalsContact C-N 3.25Å; D165-V167 PolarHBondContact O-N 3.12Å; D165-Q168 PolarHBondContact O-N 2.88Å; D165-T169 PolarHBondContact O-N 2.98Å; D165-T169 PolarHBondContact O-OG1 3.31Å |
| 166 | A | 60.2 | Low | 63.4 | Low | 41 Ų | 41 | 87.5 Ų | 87.5 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.7 | -32.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D163 Q168 T169 F170 | D163-A166 HydrophobicContact CB-CB 3.67Å; D163-A166 CarbonylContact O-C 3.49Å; D163-A166 PolarHBondContact O-N 3.15Å; A166-Q168 VanDerWaalsContact C-N 3.26Å; A166-Q168 PolarHBondContact O-N 2.79Å; A166-T169 WeakPolarHBondContact CA-OG1 3.23Å; A166-T169 PolarHBondContact O-N 2.73Å; A166-T169 PolarHBondContact O-OG1 2.53Å; A166-F170 WeakPolarHBondContact O-CA 3.48Å; A166-F170 WeakPolarHBondContact O-CB 3.23Å; A166-F170 PolarHBondContact O-N 3.08Å |
| 167 | V | 60.8 | Low | 64 | Low | 81 Ų | 81 | 89.8 Ų | 89.8 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -31.8 | 175.2 | 173 | 0 | 0 | 0 | 0 | 111.3 | A162 D163 D165 P171 | A162-V167 HydrophobicContact CB-CG2 3.68Å; D163-V167 VanDerWaalsContact O-CG2 3.32Å; D163-V167 WeakPolarHBondContact O-CG2 3.46Å; D163-V167 PolarHBondContact O-N 3.08Å; D165-V167 VanDerWaalsContact C-N 3.25Å; D165-V167 PolarHBondContact O-N 3.12Å; V167-P171 WeakPolarHBondContact O-CD 3.29Å; V167-P171 WeakPolarHBondContact O-CG 3.37Å |
| 168 | Q | 64.6 | Low | 65.2 | Low | 139 Ų | 139 | 92.2 Ų | 92.2 | 65% | 0.65 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80.6 | -35.2 | 175.8 | -71.6 | -166.4 | -67.7 | 0 | 0 | 112.7 | V164 D165 A166 | V164-Q168 PolarHBondContact O-N 3.3Å; D165-Q168 PolarHBondContact O-N 2.88Å; A166-Q168 VanDerWaalsContact C-N 3.26Å; A166-Q168 PolarHBondContact O-N 2.79Å |
| 169 | T | 70.6 | Confident | 65.9 | Low | 53 Ų | 53 | 90.5 Ų | 90.5 | 33% | 0.325 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -82 | -32.4 | 179.3 | 61.4 | 0 | 0 | 0 | 0 | 113.2 | D165 A166 I172 E173 | D165-T169 PolarHBondContact O-N 2.98Å; D165-T169 PolarHBondContact O-OG1 3.31Å; A166-T169 WeakPolarHBondContact CA-OG1 3.23Å; A166-T169 PolarHBondContact O-N 2.73Å; A166-T169 PolarHBondContact O-OG1 2.53Å; T169-I172 CarbonylContact O-C 3.5Å; T169-I172 WeakPolarHBondContact O-CA 3.45Å; T169-I172 WeakPolarHBondContact O-CB 3.48Å; T169-I172 PolarHBondContact O-N 3.17Å; T169-E173 PolarHBondContact O-N 3.44Å; T169-E173 PolarHBondContact OG1-OE1 3.36Å |
| 170 | F | 71.4 | Confident | 66.7 | Low | 130 Ų | 130 | 93.1 Ų | 93.1 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.3 | -42.8 | -175 | -175.7 | -97.7 | 0 | 0 | 0 | 114 | A166 I172 E173 V174 | A166-F170 WeakPolarHBondContact O-CA 3.48Å; A166-F170 WeakPolarHBondContact O-CB 3.23Å; A166-F170 PolarHBondContact O-N 3.08Å; F170-I172 VanDerWaalsContact C-N 3.25Å; F170-I172 PolarHBondContact O-N 2.88Å; F170-E173 PolarHBondContact O-N 3.26Å; F170-V174 HydrophobicContact CD1-CG2 3.96Å; F170-V174 HydrophobicContact CD2-CG2 4.24Å; F170-V174 HydrophobicContact CE1-CG2 3.62Å; F170-V174 HydrophobicContact CE2-CG2 3.93Å; F170-V174 HydrophobicContact CG-CG2 4.26Å; F170-V174 HydrophobicContact CZ-CG2 3.61Å; F170-V174 WeakPolarHBondContact O-CB 3.48Å; F170-V174 VanDerWaalsContact O-CG2 3.24Å; F170-V174 WeakPolarHBondContact O-CG2 3.35Å; F170-V174 PolarHBondContact O-N 2.98Å |
| 171 | P | 76.7 | Confident | 67.2 | Low | 77 Ų | 77 | 98.6 Ų | 98.6 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -36 | 173.6 | -23.2 | 33.6 | 0 | 0 | 0 | 112.8 | V167 Q175 | V167-P171 WeakPolarHBondContact O-CD 3.29Å; V167-P171 WeakPolarHBondContact O-CG 3.37Å; P171-Q175 WeakPolarHBondContact O-CB 3.16Å; P171-Q175 PolarHBondContact O-N 3.27Å |
| 172 | I | 77.1 | Confident | 67.3 | Low | 95 Ų | 95 | 99.5 Ų | 99.5 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.2 | -45.2 | 179.7 | -55 | 171.8 | 0 | 0 | 0 | 109.7 | T169 F170 Q175 N176 | T169-I172 CarbonylContact O-C 3.5Å; T169-I172 WeakPolarHBondContact O-CA 3.45Å; T169-I172 WeakPolarHBondContact O-CB 3.48Å; T169-I172 PolarHBondContact O-N 3.17Å; F170-I172 VanDerWaalsContact C-N 3.25Å; F170-I172 PolarHBondContact O-N 2.88Å; I172-Q175 PolarHBondContact O-N 3.45Å; I172-N176 WeakPolarHBondContact O-CB 3.46Å; I172-N176 PolarHBondContact O-N 3.4Å; I172-N176 PolarHBondContact O-ND2 3.23Å |
| 173 | E | 77.8 | Confident | 67.5 | Low | 115 Ų | 115 | 101.8 Ų | 101.8 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.4 | -71.6 | 173.8 | -160.7 | 0 | 0 | 111.8 | T169 F170 N176 L177 | T169-E173 PolarHBondContact O-N 3.44Å; T169-E173 PolarHBondContact OG1-OE1 3.36Å; F170-E173 PolarHBondContact O-N 3.26Å; E173-N176 PolarHBondContact O-N 2.77Å; E173-L177 WeakPolarHBondContact O-CB 3.29Å; E173-L177 PolarHBondContact O-N 2.89Å |
| 174 | V | 78.8 | Confident | 67.6 | Low | 62 Ų | 62 | 103 Ų | 103 | 38% | 0.376 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | F170 N176 L177 V178 | F170-V174 HydrophobicContact CD1-CG2 3.96Å; F170-V174 HydrophobicContact CD2-CG2 4.24Å; F170-V174 HydrophobicContact CE1-CG2 3.62Å; F170-V174 HydrophobicContact CE2-CG2 3.93Å; F170-V174 HydrophobicContact CG-CG2 4.26Å; F170-V174 HydrophobicContact CZ-CG2 3.61Å; F170-V174 WeakPolarHBondContact O-CB 3.48Å; F170-V174 VanDerWaalsContact O-CG2 3.24Å; F170-V174 WeakPolarHBondContact O-CG2 3.35Å; F170-V174 PolarHBondContact O-N 2.98Å; V174-N176 VanDerWaalsContact C-N 3.3Å; V174-N176 PolarHBondContact O-N 3.47Å; V174-L177 PolarHBondContact O-N 2.92Å; V174-V178 HydrophobicContact CG1-CG2 4.2Å; V174-V178 WeakPolarHBondContact O-CB 3.48Å; V174-V178 WeakPolarHBondContact O-CG2 3.38Å; V174-V178 PolarHBondContact O-N 3.37Å |
| 175 | Q | 78.3 | Confident | 67.5 | Low | 114 Ų | 114 | 105.5 Ų | 105.5 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.1 | -39.2 | 176.3 | -178.1 | 175.1 | 74.7 | 0 | 0 | 111.8 | P171 I172 K179 | P171-Q175 WeakPolarHBondContact O-CB 3.16Å; P171-Q175 PolarHBondContact O-N 3.27Å; I172-Q175 PolarHBondContact O-N 3.45Å; Q175-K179 WeakPolarHBondContact O-CB 2.99Å; Q175-K179 WeakPolarHBondContact O-CG 3.26Å; Q175-K179 PolarHBondContact O-N 3.17Å |
| 176 | N | 77.7 | Confident | 67.4 | Low | 86 Ų | 86 | 108.3 Ų | 108.3 | 46% | 0.46 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.8 | -43.2 | 175.7 | -70.2 | -18.5 | 0 | 0 | 0 | 111.4 | I172 E173 V174 V178 K179 E180 | I172-N176 WeakPolarHBondContact O-CB 3.46Å; I172-N176 PolarHBondContact O-N 3.4Å; I172-N176 PolarHBondContact O-ND2 3.23Å; E173-N176 PolarHBondContact O-N 2.77Å; V174-N176 VanDerWaalsContact C-N 3.3Å; V174-N176 PolarHBondContact O-N 3.47Å; N176-V178 VanDerWaalsContact C-N 3.35Å; N176-V178 PolarHBondContact O-N 3.47Å; N176-K179 PolarHBondContact O-N 2.95Å; N176-E180 WeakPolarHBondContact O-CB 3.45Å; N176-E180 PolarHBondContact O-N 3.49Å |
| 177 | L | 73 | Confident | 67 | Low | 96 Ų | 96 | 114 Ų | 114 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 178.1 | -150 | 90.8 | 0 | 0 | 0 | 112.2 | E173 V174 E180 K181 | E173-L177 WeakPolarHBondContact O-CB 3.29Å; E173-L177 PolarHBondContact O-N 2.89Å; V174-L177 PolarHBondContact O-N 2.92Å; L177-E180 PolarHBondContact O-N 3.4Å; L177-K181 HydrophobicContact CG-CD 4.34Å; L177-K181 WeakPolarHBondContact O-CB 3.43Å; L177-K181 PolarHBondContact O-N 3.32Å |
| 178 | V | 75.9 | Confident | 66.6 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.4 | -38.6 | 174.9 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | V174 N176 V182 | V174-V178 HydrophobicContact CG1-CG2 4.2Å; V174-V178 WeakPolarHBondContact O-CB 3.48Å; V174-V178 WeakPolarHBondContact O-CG2 3.38Å; V174-V178 PolarHBondContact O-N 3.37Å; N176-V178 VanDerWaalsContact C-N 3.35Å; N176-V178 PolarHBondContact O-N 3.47Å; V178-V182 HydrophobicContact CG1-CG2 4.12Å; V178-V182 WeakPolarHBondContact O-CB 3.48Å; V178-V182 VanDerWaalsContact O-CG2 3.25Å; V178-V182 WeakPolarHBondContact O-CG2 3.18Å; V178-V182 PolarHBondContact O-N 3.47Å |
| 179 | K | 69.9 | Low | 66 | Low | 157 Ų | 157 | 120.6 Ų | 120.6 | 68% | 0.683 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.3 | -37.4 | 173.5 | -82.2 | 178.9 | 177.6 | 176 | 0 | 113 | Q175 N176 | Q175-K179 WeakPolarHBondContact O-CB 2.99Å; Q175-K179 WeakPolarHBondContact O-CG 3.26Å; Q175-K179 PolarHBondContact O-N 3.17Å; N176-K179 PolarHBondContact O-N 2.95Å |
| 180 | E | 66.8 | Low | 64.7 | Low | 143 Ų | 143 | 125.4 Ų | 125.4 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -80.4 | -34.7 | -175.1 | -164.4 | -178.1 | 177.9 | 0 | 0 | 112.5 | N176 L177 | N176-E180 WeakPolarHBondContact O-CB 3.45Å; N176-E180 PolarHBondContact O-N 3.49Å; L177-E180 PolarHBondContact O-N 3.4Å |
| 181 | K | 61.3 | Low | 63.3 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 64% | 0.639 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -108.3 | -7.2 | -170.4 | -57.9 | -163.1 | 179.4 | -169.1 | 0 | 116 | L177 T183 | L177-K181 HydrophobicContact CG-CD 4.34Å; L177-K181 WeakPolarHBondContact O-CB 3.43Å; L177-K181 PolarHBondContact O-N 3.32Å; K181-T183 PolarHBondContact O-N 3.04Å |
| 182 | V | 53.2 | Low | 61.8 | Low | 102 Ų | 102 | 126.5 Ų | 126.5 | 62% | 0.618 | 65% | 0.651 | S | S | * | * | trans | -83.9 | 59.4 | 166.7 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | V178 | V178-V182 HydrophobicContact CG1-CG2 4.12Å; V178-V182 WeakPolarHBondContact O-CB 3.48Å; V178-V182 VanDerWaalsContact O-CG2 3.25Å; V178-V182 WeakPolarHBondContact O-CG2 3.18Å; V178-V182 PolarHBondContact O-N 3.47Å | ||
| 183 | T | 53.2 | Low | 60.1 | Low | 101 Ų | 101 | 127.1 Ų | 127.1 | 62% | 0.62 | 67% | 0.67 | S | S | * | * | trans | -91.1 | 123.4 | 156.9 | -34.5 | 0 | 0 | 0 | 0 | 106.1 | K181 E185 | K181-T183 PolarHBondContact O-N 3.04Å; T183-E185 PolarHBondContact O-N 2.61Å | ||
| 184 | T | 54.8 | Low | 58 | Low | 122 Ų | 122 | 124.7 Ų | 124.7 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 25.5 | -156.7 | 38.5 | 0 | 0 | 0 | 0 | 116.3 | ||
| 185 | E | 57.1 | Low | 56.1 | Low | 160 Ų | 160 | 130.9 Ų | 130.9 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | -12.4 | -166.8 | -62.8 | -172.7 | -177.5 | 0 | 0 | 115.2 | T183 | T183-E185 PolarHBondContact O-N 2.61Š|
| 186 | E | 56.2 | Low | 54.2 | Low | 169 Ų | 169 | 130.1 Ų | 130.1 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -97.6 | -16.8 | -177.8 | -69.7 | -171 | 152.2 | 0 | 0 | 115.1 | ||
| 187 | L | 51.1 | Low | 52.7 | Low | 162 Ų | 162 | 135.7 Ų | 135.7 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -78 | -19.2 | 179.6 | -83.3 | 170.9 | 0 | 0 | 0 | 114.2 | ||
| 188 | E | 52.7 | Low | 51 | Low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -82.7 | -17.1 | 175.7 | -100.5 | -175.2 | 165.3 | 0 | 0 | 113.7 | L190 | E188-L190 PolarHBondContact O-N 2.96Š|
| 189 | K | 51.7 | Low | 49.3 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -82.7 | -13.1 | -174.3 | -155.9 | 168.7 | -173.9 | 178.2 | 0 | 114.6 | ||
| 190 | L | 44.7 | Very low | 48.1 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -88.3 | -0.9 | -176.6 | -72.8 | 175.8 | 0 | 0 | 0 | 115 | E188 | E188-L190 PolarHBondContact O-N 2.96Š|
| 191 | S | 41.7 | Very low | 46.7 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -98.6 | 3.5 | -176.2 | 63.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 192 | V | 44.1 | Very low | 46 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -117 | 15.8 | -174.1 | -167.6 | 0 | 0 | 0 | 0 | 114.6 | G194 | V192-G194 PolarHBondContact O-N 3.05Š| ||
| 193 | A | 41.8 | Very low | 45.6 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -103.3 | 61.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 194 | G | 34.5 | Very low | 45.4 | Very low | 63 Ų | 63 | 147.7 Ų | 147.7 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -141.7 | 58.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | V192 | V192-G194 PolarHBondContact O-N 3.05Š| ||
| 195 | E | 37.7 | Very low | 45.3 | Very low | 193 Ų | 193 | 150.3 Ų | 150.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -162.1 | 131.8 | 166.9 | -110 | 160.5 | -144.6 | 0 | 0 | 111.8 | ||||
| 196 | A | 39.4 | Very low | 44.7 | Very low | 97 Ų | 97 | 151.5 Ų | 151.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 68 | 102.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 197 | E | 45.6 | Very low | 44.8 | Very low | 204 Ų | 204 | 148.9 Ų | 148.9 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | -171 | 110.4 | 121 | -103 | -178.6 | -178.2 | 0 | 0 | 106.2 | |||||
| 198 | G | 38.2 | Very low | 45.1 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | 129.7 | 75.8 | 76.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | K200 | G198-K200 VanDerWaalsContact C-N 3.31Å; G198-K200 PolarHBondContact O-N 2.99Å | |||
| 199 | R | 39 | Very low | 45.4 | Very low | 217 Ų | 217 | 143.3 Ų | 143.3 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | -61.7 | 95.7 | 166.7 | 176.6 | 176.4 | -68.8 | -176.1 | -2 | 107 | D201 | R199-D201 WeakPolarHBondContact CD-OD1 3.21Å; R199-D201 WeakPolarHBondContact CD-OD2 3.31Å; R199-D201 WeakPolarHBondContact CG-OD1 3.43Å; R199-D201 WeakPolarHBondContact CG-OD2 3.39Å | ||
| 200 | K | 46 | Very low | 45.7 | Very low | 197 Ų | 197 | 140 Ų | 140 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -95.5 | 95.5 | 158.4 | -78.1 | -173.1 | 176.7 | 177.8 | 0 | 106.1 | G198 D202 | G198-K200 VanDerWaalsContact C-N 3.31Å; G198-K200 PolarHBondContact O-N 2.99Å; K200-D202 VanDerWaalsContact C-N 3.31Å; K200-D202 PolarHBondContact O-N 2.86Å | ||
| 201 | D | 37.8 | Very low | 46.6 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -61.7 | 96.4 | 162.3 | -59.3 | -48.6 | 0 | 0 | 0 | 106.5 | R199 | R199-D201 WeakPolarHBondContact CD-OD1 3.21Å; R199-D201 WeakPolarHBondContact CD-OD2 3.31Å; R199-D201 WeakPolarHBondContact CG-OD1 3.43Å; R199-D201 WeakPolarHBondContact CG-OD2 3.39Å | ||
| 202 | D | 45 | Very low | 47.6 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -123.9 | 99.4 | 166.9 | -159.4 | 10.6 | 0 | 0 | 0 | 109.2 | K200 | K200-D202 VanDerWaalsContact C-N 3.31Å; K200-D202 PolarHBondContact O-N 2.86Å | ||
| 203 | E | 45.8 | Very low | 48.8 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | 10.8 | 119.4 | 157 | -55.3 | -166.4 | 160.8 | 0 | 0 | 119.5 | Q205 | E203-Q205 PolarHBondContact O-N 2.74Š| ||
| 204 | N | 48.6 | Very low | 50.4 | Low | 163 Ų | 163 | 146.3 Ų | 146.3 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | 52.3 | 37.4 | 131.2 | -65 | -24.1 | 0 | 0 | 0 | 119.1 | E206 | N204-E206 VanDerWaalsContact C-N 3.34Å; N204-E206 PolarHBondContact O-N 3.34Å | ||
| 205 | Q | 51.9 | Low | 52.8 | Low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -81.8 | 92.2 | 149.5 | -78.8 | -178.4 | 7.4 | 0 | 0 | 108.4 | E203 V207 | E203-Q205 PolarHBondContact O-N 2.74Å; Q205-V207 PolarHBondContact O-N 3.09Å | ||
| 206 | E | 45.6 | Very low | 55.3 | Low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | trans | -59.6 | 84.5 | 162.2 | -172 | 177.8 | -176.3 | 0 | 0 | 107.5 | N204 P208 | N204-E206 VanDerWaalsContact C-N 3.34Å; N204-E206 PolarHBondContact O-N 3.34Å; E206-P208 WeakPolarHBondContact O-CD 3.46Å; E206-P208 VanDerWaalsContact O-N 3.12Å | ||
| 207 | V | 57.3 | Low | 57.8 | Low | 114 Ų | 114 | 138.9 Ų | 138.9 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | trans | -64.8 | 112.6 | 172.5 | -179.9 | 0 | 0 | 0 | 0 | 105.2 | Q205 | Q205-V207 PolarHBondContact O-N 3.09Š| ||
| 208 | P | 57.1 | Low | 60 | Low | 100 Ų | 100 | 132.1 Ų | 132.1 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 139.6 | 179.7 | 22.1 | -32.2 | 0 | 0 | 0 | 108.5 | E206 | E206-P208 WeakPolarHBondContact O-CD 3.46Å; E206-P208 VanDerWaalsContact O-N 3.12Å |
| 209 | P | 60.7 | Low | 62.7 | Low | 114 Ų | 114 | 133.5 Ų | 133.5 | 74% | 0.74 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 132.9 | -171.4 | 19.5 | -31.7 | 0 | 0 | 0 | 109.3 | S211 | P209-S211 PolarHBondContact O-N 2.88Š|
| 210 | P | 58.2 | Low | 65.3 | Low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 123.3 | -178.1 | 20.4 | -31.2 | 0 | 0 | 0 | 108.1 | ||
| 211 | S | 61.9 | Low | 67.7 | Low | 107 Ų | 107 | 116.4 Ų | 116.4 | 75% | 0.748 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 129.3 | 174.5 | -80 | 0 | 0 | 0 | 0 | 108 | P209 R213 | P209-S211 PolarHBondContact O-N 2.88Å; S211-R213 PolarHBondContact O-N 3.11Å; S211-R213 VanDerWaalsContact O-N 3.17Å |
| 212 | P | 64.3 | Low | 70.5 | Confident | 99 Ų | 99 | 114.4 Ų | 114.4 | 64% | 0.643 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 130.3 | -178.3 | -26.5 | 32.8 | 0 | 0 | 0 | 108.6 | Q214 | P212-Q214 HydrophobicContact CB-CG 4.24Å; P212-Q214 PolarHBondContact O-N 2.88Å |
| 213 | R | 68.1 | Low | 73 | Confident | 259 Ų | 259 | 110.6 Ų | 110.6 | 98% | 0.977 | 60% | 0.602 | S | S | * | * | trans | -63.8 | 76.8 | -179.9 | -65.1 | -179.1 | -178.1 | -176.4 | 0.4 | 109.2 | S211 M215 | S211-R213 PolarHBondContact O-N 3.11Å; S211-R213 VanDerWaalsContact O-N 3.17Å; R213-M215 PolarHBondContact O-N 2.7Å | ||
| 214 | Q | 76.6 | Confident | 75.4 | Confident | 159 Ų | 159 | 104.3 Ų | 104.3 | 74% | 0.743 | 57% | 0.573 | S | S | * | * | trans | -85.9 | 106.5 | -179.6 | -71.7 | -171.6 | -15.3 | 0 | 0 | 107.2 | P212 T216 | P212-Q214 HydrophobicContact CB-CG 4.24Å; P212-Q214 PolarHBondContact O-N 2.88Å; Q214-T216 PolarHBondContact O-N 3.5Å | ||
| 215 | M | 83.2 | Confident | 77.8 | Confident | 63 Ų | 63 | 102.6 Ų | 102.6 | 31% | 0.31 | 56% | 0.558 | S | S | . | * | trans | -58.6 | 121.6 | 170.5 | -175.5 | 171.6 | 56.3 | 0 | 0 | 109.2 | R213 E219 L220 R265 | R213-M215 PolarHBondContact O-N 2.7Å; M215-E219 WeakPolarHBondContact CA-OE2 3.46Å; M215-E219 HydrophobicContact CG-CB 3.59Å; M215-E219 HydrophobicContact SD-CB 4.38Å; M215-L220 HydrophobicContact CE-CB 3.87Å; M215-L220 HydrophobicContact CE-CD1 3.44Å; M215-L220 VanDerWaalsContact CE-CD1 3.44Å; M215-L220 HydrophobicContact CE-CG 4.18Å; M215-L220 HydrophobicContact CG-CB 4.42Å; M215-L220 HydrophobicContact SD-CB 4.3Å; M215-R265 PolarHBondContact O-NH1 3.48Å; M215-R265 PolarHBondContact O-NH2 2.94Å | ||
| 216 | T | 91.3 | Very high | 80 | Confident | 72 Ų | 72 | 97.7 Ų | 97.7 | 44% | 0.442 | 54% | 0.54 | S | S | . | . | trans | -63.8 | 165.8 | 177.6 | 66.8 | 0 | 0 | 0 | 0 | 111 | Q214 A218 E219 L220 R265 | Q214-T216 PolarHBondContact O-N 3.5Å; T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 2.95Å; T216-E219 WeakPolarHBondContact CB-OE2 3.29Å; T216-E219 WeakPolarHBondContact CG2-OE2 3.5Å; T216-E219 PolarHBondContact N-OE2 3.01Å; T216-E219 WeakPolarHBondContact OG1-CB 3.27Å; T216-E219 WeakPolarHBondContact OG1-CG 3.35Å; T216-E219 PolarHBondContact OG1-N 3.35Å; T216-E219 PolarHBondContact OG1-OE2 3.21Å; T216-L220 WeakPolarHBondContact O-CB 3.32Å; T216-L220 PolarHBondContact O-N 3.47Å; T216-L220 VanDerWaalsContact O-N 3.09Å; T216-R265 PolarHBondContact O-NH1 3Å | ||
| 217 | T | 91.4 | Very high | 82.5 | Confident | 63 Ų | 63 | 91.3 Ų | 91.3 | 39% | 0.387 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | S221 R265 | T217-S221 WeakPolarHBondContact O-CB 3.46Å; T217-S221 PolarHBondContact O-N 3.02Å; T217-R265 HydrophobicContact CG2-CB 3.9Å |
| 218 | A | 92.7 | Very high | 84.4 | Confident | 61 Ų | 61 | 89 Ų | 89 | 50% | 0.504 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -48.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | T216 L220 S221 D222 | T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 2.95Å; A218-L220 VanDerWaalsContact C-N 3.31Å; A218-L220 PolarHBondContact O-N 3.3Å; A218-S221 WeakPolarHBondContact O-CB 3.46Å; A218-S221 PolarHBondContact O-N 3.28Å; A218-S221 VanDerWaalsContact O-N 3.11Å; A218-D222 PolarHBondContact O-N 3.06Å |
| 219 | E | 94.1 | Very high | 86.3 | Confident | 98 Ų | 98 | 89.6 Ų | 89.6 | 46% | 0.458 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 176.1 | -70.6 | 164 | 155.2 | 0 | 0 | 112.1 | M215 T216 D222 T223 | M215-E219 WeakPolarHBondContact CA-OE2 3.46Å; M215-E219 HydrophobicContact CG-CB 3.59Å; M215-E219 HydrophobicContact SD-CB 4.38Å; T216-E219 WeakPolarHBondContact CB-OE2 3.29Å; T216-E219 WeakPolarHBondContact CG2-OE2 3.5Å; T216-E219 PolarHBondContact N-OE2 3.01Å; T216-E219 WeakPolarHBondContact OG1-CB 3.27Å; T216-E219 WeakPolarHBondContact OG1-CG 3.35Å; T216-E219 PolarHBondContact OG1-N 3.35Å; T216-E219 PolarHBondContact OG1-OE2 3.21Å; E219-D222 PolarHBondContact O-N 3.33Å; E219-T223 WeakPolarHBondContact O-CB 3.35Å; E219-T223 PolarHBondContact O-N 3.48Å; E219-T223 PolarHBondContact O-OG1 3.17Å |
| 220 | L | 93.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 92.3 Ų | 92.3 | 1% | 0.01 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 175.4 | 176 | 60.7 | 0 | 0 | 0 | 111.5 | M215 T216 A218 L224 Y258 L261 L262 | M215-L220 HydrophobicContact CE-CB 3.87Å; M215-L220 HydrophobicContact CE-CD1 3.44Å; M215-L220 VanDerWaalsContact CE-CD1 3.44Å; M215-L220 HydrophobicContact CE-CG 4.18Å; M215-L220 HydrophobicContact CG-CB 4.42Å; M215-L220 HydrophobicContact SD-CB 4.3Å; T216-L220 WeakPolarHBondContact O-CB 3.32Å; T216-L220 PolarHBondContact O-N 3.47Å; T216-L220 VanDerWaalsContact O-N 3.09Å; A218-L220 VanDerWaalsContact C-N 3.31Å; A218-L220 PolarHBondContact O-N 3.3Å; L220-L224 HydrophobicContact CD1-CD1 4.01Å; L220-L224 HydrophobicContact CD1-CG 4.24Å; L220-L224 HydrophobicContact CG-CD1 4.2Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 VanDerWaalsContact O-CG 3.31Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.43Å; L220-Y258 HydrophobicContact CD1-CD1 3.82Å; L220-Y258 HydrophobicContact CD1-CG 4.37Å; L220-L261 HydrophobicContact CD2-CB 4.25Å; L220-L261 HydrophobicContact CD2-CD2 3.93Å; L220-L261 HydrophobicContact CD2-CG 3.89Å; L220-L262 HydrophobicContact CD2-CB 3.84Å; L220-L262 HydrophobicContact CG-CB 4.3Å; L220-L262 HydrophobicContact CG-CD1 4.27Å |
| 221 | S | 96.2 | Very high | 89.9 | Confident | 52 Ų | 52 | 87 Ų | 87 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -49.4 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | T217 A218 T223 L224 K225 L262 | T217-S221 WeakPolarHBondContact O-CB 3.46Å; T217-S221 PolarHBondContact O-N 3.02Å; A218-S221 WeakPolarHBondContact O-CB 3.46Å; A218-S221 PolarHBondContact O-N 3.28Å; A218-S221 VanDerWaalsContact O-N 3.11Å; S221-T223 PolarHBondContact O-N 3.38Å; S221-L224 PolarHBondContact O-N 3.24Å; S221-K225 WeakPolarHBondContact O-CB 3.3Å; S221-K225 PolarHBondContact O-N 3.28Å; S221-L262 VanDerWaalsContact CA-CD1 3.44Å |
| 222 | D | 97.3 | Very high | 91.5 | Very high | 94 Ų | 94 | 85.9 Ų | 85.9 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.3 | -38.2 | -177.7 | -70.5 | -14.8 | 0 | 0 | 0 | 111.6 | A218 E219 K225 T226 | A218-D222 PolarHBondContact O-N 3.06Å; E219-D222 PolarHBondContact O-N 3.33Å; D222-K225 PolarHBondContact O-N 2.85Å; D222-T226 WeakPolarHBondContact O-CB 3.48Å; D222-T226 PolarHBondContact O-N 3.09Å; D222-T226 PolarHBondContact O-OG1 3.41Å |
| 223 | T | 96.7 | Very high | 92.9 | Very high | 64 Ų | 64 | 88 Ų | 88 | 39% | 0.393 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 174 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | E219 S221 K225 T226 I227 | E219-T223 WeakPolarHBondContact O-CB 3.35Å; E219-T223 PolarHBondContact O-N 3.48Å; E219-T223 PolarHBondContact O-OG1 3.17Å; S221-T223 PolarHBondContact O-N 3.38Å; T223-K225 VanDerWaalsContact C-N 3.34Å; T223-K225 PolarHBondContact O-N 3.47Å; T223-T226 PolarHBondContact O-N 3.17Å; T223-I227 HydrophobicContact CG2-CD1 3.84Å; T223-I227 HydrophobicContact CG2-CG1 4.48Å; T223-I227 VanDerWaalsContact O-CG1 3.29Å; T223-I227 WeakPolarHBondContact O-CG1 3.4Å; T223-I227 PolarHBondContact O-N 3.02Å |
| 224 | L | 96.9 | Very high | 94.1 | Very high | 25 Ų | 25 | 78.3 Ų | 78.3 | 13% | 0.131 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 178.1 | -74.9 | 172.5 | 0 | 0 | 0 | 112.1 | L220 S221 I227 E228 L255 K259 L262 | L220-L224 HydrophobicContact CD1-CD1 4.01Å; L220-L224 HydrophobicContact CD1-CG 4.24Å; L220-L224 HydrophobicContact CG-CD1 4.2Å; L220-L224 WeakPolarHBondContact O-CB 3.41Å; L220-L224 VanDerWaalsContact O-CG 3.31Å; L220-L224 WeakPolarHBondContact O-CG 3.39Å; L220-L224 PolarHBondContact O-N 3.43Å; S221-L224 PolarHBondContact O-N 3.24Å; L224-I227 PolarHBondContact O-N 2.88Å; L224-E228 PolarHBondContact O-N 3.33Å; L224-L255 HydrophobicContact CD2-CB 4.32Å; L224-L255 HydrophobicContact CD2-CD2 4.21Å; L224-K259 HydrophobicContact CD1-CG 4.4Å; L224-L262 HydrophobicContact CD1-CB 4.36Å; L224-L262 HydrophobicContact CD1-CD1 4.02Å |
| 225 | K | 97.7 | Very high | 94.8 | Very high | 128 Ų | 128 | 72.9 Ų | 72.9 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62 | -45.8 | 175.4 | -177.2 | -177.8 | 177.2 | -174.2 | 0 | 111.6 | S221 D222 T223 E228 Q229 | S221-K225 WeakPolarHBondContact O-CB 3.3Å; S221-K225 PolarHBondContact O-N 3.28Å; D222-K225 PolarHBondContact O-N 2.85Å; T223-K225 VanDerWaalsContact C-N 3.34Å; T223-K225 PolarHBondContact O-N 3.47Å; K225-E228 PolarHBondContact O-N 3.29Å; K225-Q229 WeakPolarHBondContact O-CG 3.43Å; K225-Q229 PolarHBondContact O-N 3.32Å |
| 226 | T | 98.2 | Very high | 95.1 | Very high | 73 Ų | 73 | 72.8 Ų | 72.8 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 178.9 | -59 | 0 | 0 | 0 | 0 | 110.9 | D222 T223 E228 Q229 R230 | D222-T226 WeakPolarHBondContact O-CB 3.48Å; D222-T226 PolarHBondContact O-N 3.09Å; D222-T226 PolarHBondContact O-OG1 3.41Å; T223-T226 PolarHBondContact O-N 3.17Å; T226-E228 PolarHBondContact O-N 2.96Å; T226-Q229 PolarHBondContact O-N 3.43Å; T226-R230 WeakPolarHBondContact O-CG 3.48Å; T226-R230 PolarHBondContact O-N 3.44Å |
| 227 | I | 97.8 | Very high | 94.9 | Very high | 51 Ų | 51 | 70.4 Ų | 70.4 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 177.4 | -64.2 | 164.6 | 0 | 0 | 0 | 110.4 | T223 L224 Q229 R230 L231 I251 L255 | T223-I227 HydrophobicContact CG2-CD1 3.84Å; T223-I227 HydrophobicContact CG2-CG1 4.48Å; T223-I227 VanDerWaalsContact O-CG1 3.29Å; T223-I227 WeakPolarHBondContact O-CG1 3.4Å; T223-I227 PolarHBondContact O-N 3.02Å; L224-I227 PolarHBondContact O-N 2.88Å; I227-Q229 VanDerWaalsContact C-N 3.32Å; I227-Q229 PolarHBondContact O-N 3.19Å; I227-R230 PolarHBondContact O-N 2.94Å; I227-R230 VanDerWaalsContact O-N 3.09Å; I227-L231 HydrophobicContact CG2-CD1 4.12Å; I227-L231 HydrophobicContact CG2-CG 4.15Å; I227-L231 WeakPolarHBondContact O-CG 3.36Å; I227-L231 PolarHBondContact O-N 3.06Å; I227-I251 HydrophobicContact CG2-CG2 4.42Å; I227-L255 HydrophobicContact CB-CD1 4.31Å; I227-L255 HydrophobicContact CD1-CD2 4.04Å; I227-L255 HydrophobicContact CG2-CD1 3.56Å |
| 228 | E | 97.4 | Very high | 94.7 | Very high | 65 Ų | 65 | 68 Ų | 68 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 178.3 | -171.3 | 59.7 | -136.3 | 0 | 0 | 112 | L224 K225 T226 R230 L231 Q232 R252 | L224-E228 PolarHBondContact O-N 3.33Å; K225-E228 PolarHBondContact O-N 3.29Å; T226-E228 PolarHBondContact O-N 2.96Å; E228-R230 VanDerWaalsContact C-N 3.33Å; E228-R230 PolarHBondContact O-N 3.16Å; E228-L231 PolarHBondContact O-N 3.04Å; E228-Q232 WeakPolarHBondContact O-CB 3.45Å; E228-Q232 PolarHBondContact O-N 3.22Å; E228-R252 IonicContact OE1-CZ 3.3Å; E228-R252 VanDerWaalsContact OE1-CZ 3.24Å; E228-R252 IonicContact OE1-NE 3.73Å; E228-R252 PolarHBondContact OE1-NE 3.39Å; E228-R252 IonicContact OE1-NH2 3.91Å; E228-R252 PolarHBondContact OE1-NH2 3.09Å; E228-R252 IonicContact OE2-NE 3.06Å; E228-R252 PolarHBondContact OE2-NE 3.37Å |
| 229 | Q | 97.9 | Very high | 94.2 | Very high | 113 Ų | 113 | 66 Ų | 66 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 174 | -72.3 | 174.5 | -19 | 0 | 0 | 112.3 | K225 T226 I227 W233 | K225-Q229 WeakPolarHBondContact O-CG 3.43Å; K225-Q229 PolarHBondContact O-N 3.32Å; T226-Q229 PolarHBondContact O-N 3.43Å; I227-Q229 VanDerWaalsContact C-N 3.32Å; I227-Q229 PolarHBondContact O-N 3.19Å; Q229-W233 WeakPolarHBondContact O-CB 3.33Å; Q229-W233 PolarHBondContact O-N 3.09Å |
| 230 | R | 97.7 | Very high | 93.7 | Very high | 171 Ų | 171 | 64.6 Ų | 64.6 | 65% | 0.645 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.3 | -38 | 176.6 | -68.3 | -57.1 | -163 | 176.7 | 5.2 | 112.5 | T226 I227 E228 W233 L234 | T226-R230 WeakPolarHBondContact O-CG 3.48Å; T226-R230 PolarHBondContact O-N 3.44Å; I227-R230 PolarHBondContact O-N 2.94Å; I227-R230 VanDerWaalsContact O-N 3.09Å; E228-R230 VanDerWaalsContact C-N 3.33Å; E228-R230 PolarHBondContact O-N 3.16Å; R230-W233 PolarHBondContact O-N 3.36Å; R230-L234 PolarHBondContact O-N 3.36Å |
| 231 | L | 97.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 67.1 Ų | 67.1 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 174.8 | -67.7 | -178.5 | 0 | 0 | 0 | 111.6 | I227 E228 W233 L234 E235 T248 I251 R252 | I227-L231 HydrophobicContact CG2-CD1 4.12Å; I227-L231 HydrophobicContact CG2-CG 4.15Å; I227-L231 WeakPolarHBondContact O-CG 3.36Å; I227-L231 PolarHBondContact O-N 3.06Å; E228-L231 PolarHBondContact O-N 3.04Å; L231-W233 VanDerWaalsContact C-N 3.34Å; L231-W233 PolarHBondContact O-N 3.03Å; L231-L234 WeakPolarHBondContact O-CB 3.42Å; L231-L234 PolarHBondContact O-N 3.17Å; L231-L234 VanDerWaalsContact O-N 3.15Å; L231-E235 PolarHBondContact O-N 3.45Å; L231-T248 HydrophobicContact CB-CG2 4.04Å; L231-T248 HydrophobicContact CD2-CG2 4.01Å; L231-I251 HydrophobicContact CD1-CB 4.16Å; L231-I251 HydrophobicContact CD1-CG2 3.85Å; L231-I251 HydrophobicContact CD2-CB 4.07Å; L231-I251 HydrophobicContact CD2-CD1 3.61Å; L231-I251 HydrophobicContact CD2-CG1 4.43Å; L231-I251 HydrophobicContact CD2-CG2 4.04Å; L231-I251 HydrophobicContact CG-CG2 4.47Å; L231-R252 HydrophobicContact CD1-CG 3.73Å |
| 232 | Q | 94.9 | Very high | 92.9 | Very high | 82 Ų | 82 | 72 Ų | 72 | 38% | 0.383 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 174.8 | -176.4 | 58.4 | 60.4 | 0 | 0 | 111.1 | E228 L234 E235 D236 | E228-Q232 WeakPolarHBondContact O-CB 3.45Å; E228-Q232 PolarHBondContact O-N 3.22Å; Q232-L234 VanDerWaalsContact C-N 3.27Å; Q232-L234 PolarHBondContact O-N 3.19Å; Q232-E235 PolarHBondContact O-N 3Å; Q232-E235 VanDerWaalsContact O-N 3.16Å; Q232-D236 VanDerWaalsContact NE2-CG 3.33Å; Q232-D236 PolarHBondContact NE2-OD1 2.93Å; Q232-D236 PolarHBondContact NE2-OD2 3.48Å; Q232-D236 PolarHBondContact O-N 3.22Å |
| 233 | W | 94.4 | Very high | 92.6 | Very high | 143 Ų | 143 | 73.7 Ų | 73.7 | 54% | 0.542 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 174.5 | -175.8 | 93 | 0 | 0 | 0 | 111.7 | Q229 R230 L231 D236 N237 | Q229-W233 WeakPolarHBondContact O-CB 3.33Å; Q229-W233 PolarHBondContact O-N 3.09Å; R230-W233 PolarHBondContact O-N 3.36Å; L231-W233 VanDerWaalsContact C-N 3.34Å; L231-W233 PolarHBondContact O-N 3.03Å; W233-D236 PolarHBondContact O-N 3.06Å; W233-N237 VanDerWaalsContact CD1-ND2 3.27Å; W233-N237 HydrophobicContact CD2-CB 4.42Å; W233-N237 VanDerWaalsContact CE2-ND2 3.29Å; W233-N237 HydrophobicContact CE3-CB 4.5Å; W233-N237 HydrophobicContact CH2-CB 4.38Å; W233-N237 HydrophobicContact CZ2-CB 4.29Å; W233-N237 HydrophobicContact CZ3-CB 4.48Å; W233-N237 PolarHBondContact NE1-ND2 3.05Å; W233-N237 VanDerWaalsContact NE1-ND2 3.19Å; W233-N237 VanDerWaalsContact O-CB 3.31Å; W233-N237 WeakPolarHBondContact O-CB 3.17Å; W233-N237 PolarHBondContact O-N 3.23Å; W233-N237 PolarHBondContact O-ND2 2.76Å |
| 234 | L | 92.3 | Very high | 92.3 | Very high | 57 Ų | 57 | 70.7 Ų | 70.7 | 30% | 0.298 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.5 | -176.5 | 63.5 | 0 | 0 | 0 | 112.1 | R230 L231 Q232 D236 N237 D238 T247 T248 | R230-L234 PolarHBondContact O-N 3.36Å; L231-L234 WeakPolarHBondContact O-CB 3.42Å; L231-L234 PolarHBondContact O-N 3.17Å; L231-L234 VanDerWaalsContact O-N 3.15Å; Q232-L234 VanDerWaalsContact C-N 3.27Å; Q232-L234 PolarHBondContact O-N 3.19Å; L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 2.63Å; L234-N237 PolarHBondContact O-N 3.39Å; L234-D238 WeakPolarHBondContact O-CB 3.45Å; L234-D238 PolarHBondContact O-N 3.25Å; L234-T247 HydrophobicContact CD2-CG2 4.3Å; L234-T248 HydrophobicContact CD2-CG2 4.35Å |
| 235 | E | 91.2 | Very high | 92.1 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 176.2 | -70 | 174.7 | 154.7 | 0 | 0 | 112.3 | L231 Q232 T248 R252 | L231-E235 PolarHBondContact O-N 3.45Å; Q232-E235 PolarHBondContact O-N 3Å; Q232-E235 VanDerWaalsContact O-N 3.16Å; E235-T248 HydrophobicContact CG-CG2 3.49Å; E235-T248 VanDerWaalsContact CG-CG2 3.49Å; E235-T248 VanDerWaalsContact OE1-CB 3.23Å; E235-T248 WeakPolarHBondContact OE1-CB 3.46Å; E235-T248 PolarHBondContact OE1-OG1 3.06Å; E235-R252 IonicContact OE1-CZ 3.12Å; E235-R252 IonicContact OE1-NH1 3.48Å; E235-R252 PolarHBondContact OE1-NH1 2.87Å; E235-R252 IonicContact OE1-NH2 2.84Å; E235-R252 IonicContact OE2-CZ 2.98Å; E235-R252 IonicContact OE2-NH1 3.63Å; E235-R252 IonicContact OE2-NH2 2.64Å; E235-R252 PolarHBondContact OE2-NH2 3.39Å |
| 236 | D | 89.1 | Confident | 92 | Very high | 61 Ų | 61 | 70.9 Ų | 70.9 | 33% | 0.326 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -77.4 | -28.2 | -178.6 | -68.8 | -33.9 | 0 | 0 | 0 | 113.2 | S138 Q232 W233 L234 | S138-D236 PolarHBondContact N-O 2.79Å; Q232-D236 VanDerWaalsContact NE2-CG 3.33Å; Q232-D236 PolarHBondContact NE2-OD1 2.93Å; Q232-D236 PolarHBondContact NE2-OD2 3.48Å; Q232-D236 PolarHBondContact O-N 3.22Å; W233-D236 PolarHBondContact O-N 3.06Å; L234-D236 VanDerWaalsContact C-N 3.3Å; L234-D236 PolarHBondContact O-N 2.63Å |
| 237 | N | 88 | Confident | 91.8 | Very high | 22 Ų | 22 | 70.5 Ų | 70.5 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -106.9 | -12.1 | -173.6 | -67 | -82.4 | 0 | 0 | 0 | 114.6 | F107 R111 W233 L234 C239 | F107-N237 WeakPolarHBondContact CE1-O 3.46Å; R111-N237 PolarHBondContact NH1-OD1 3.25Å; W233-N237 VanDerWaalsContact CD1-ND2 3.27Å; W233-N237 HydrophobicContact CD2-CB 4.42Å; W233-N237 VanDerWaalsContact CE2-ND2 3.29Å; W233-N237 HydrophobicContact CE3-CB 4.5Å; W233-N237 HydrophobicContact CH2-CB 4.38Å; W233-N237 HydrophobicContact CZ2-CB 4.29Å; W233-N237 HydrophobicContact CZ3-CB 4.48Å; W233-N237 PolarHBondContact NE1-ND2 3.05Å; W233-N237 VanDerWaalsContact NE1-ND2 3.19Å; W233-N237 VanDerWaalsContact O-CB 3.31Å; W233-N237 WeakPolarHBondContact O-CB 3.17Å; W233-N237 PolarHBondContact O-N 3.23Å; W233-N237 PolarHBondContact O-ND2 2.76Å; L234-N237 PolarHBondContact O-N 3.39Å; N237-C239 PolarHBondContact O-N 3.06Å |
| 238 | D | 86.9 | Confident | 91.8 | Very high | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.064 | 32% | 0.322 | C | S | . | . | trans | -78.9 | 120.2 | 174.4 | -168.9 | -15.7 | 0 | 0 | 0 | 110.3 | S138 L234 N240 R243 S244 | S138-D238 WeakPolarHBondContact CB-O 3.49Å; S138-D238 PolarHBondContact OG-O 3.11Å; L234-D238 WeakPolarHBondContact O-CB 3.45Å; L234-D238 PolarHBondContact O-N 3.25Å; D238-N240 VanDerWaalsContact CG-O 3.23Å; D238-N240 PolarHBondContact O-N 3.16Å; D238-N240 WeakPolarHBondContact OD1-CA 3.49Å; D238-N240 PolarHBondContact OD1-N 3.48Å; D238-R243 IonicContact OD1-CZ 3.92Å; D238-R243 IonicContact OD1-NE 3.74Å; D238-R243 PolarHBondContact OD1-NE 3.19Å; D238-R243 IonicContact OD1-NH2 3.53Å; D238-R243 PolarHBondContact OD1-NH2 3.41Å; D238-R243 IonicContact OD2-CZ 3.56Å; D238-R243 IonicContact OD2-NE 2.61Å; D238-R243 PolarHBondContact OD2-NE 3.07Å; D238-R243 IonicContact OD2-NH2 2.73Å; D238-R243 PolarHBondContact OD2-NH2 3.4Å; D238-S244 VanDerWaalsContact CB-CB 3.45Å; D238-S244 WeakPolarHBondContact OD2-CB 3.48Å; D238-S244 PolarHBondContact OD2-N 3Å | ||
| 239 | C | 81.8 | Confident | 91.8 | Very high | 20 Ų | 20 | 72.3 Ų | 72.3 | 14% | 0.135 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -64.5 | -18.8 | 176.5 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | F107 C156 N237 | F107-C239 HydrophobicContact CB-CB 3.72Å; F107-C239 HydrophobicContact CD1-CB 4.1Å; F107-C239 HydrophobicContact CD2-CB 3.99Å; F107-C239 HydrophobicContact CG-CB 3.65Å; C156-C239 WeakPolarHBondContact CA-SG 3.31Å; C156-C239 HydrophobicContact CB-CB 3.81Å; C156-C239 WeakPolarHBondContact CB-SG 3.46Å; C156-C239 PolarHBondContact O-SG 3.1Å; C156-C239 WeakPolarHBondContact SG-CB 3.46Å; C156-C239 PolarHBondContact SG-O 3.3Å; C156-C239 CovalentContact SG-SG 2.03Å; C156-C239 PolarHBondContact SG-SG 3.24Å; N237-C239 PolarHBondContact O-N 3.06Å |
| 240 | N | 85.2 | Confident | 91.8 | Very high | 67 Ų | 67 | 68.7 Ų | 68.7 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | trans | -103.2 | 96.6 | 170.4 | -173.5 | -22.9 | 0 | 0 | 0 | 109.8 | D238 E242 R243 S244 | D238-N240 VanDerWaalsContact CG-O 3.23Å; D238-N240 PolarHBondContact O-N 3.16Å; D238-N240 WeakPolarHBondContact OD1-CA 3.49Å; D238-N240 PolarHBondContact OD1-N 3.48Å; N240-E242 VanDerWaalsContact C-N 3.27Å; N240-E242 PolarHBondContact O-N 3.28Å; N240-E242 PolarHBondContact OD1-N 2.89Å; N240-E242 VanDerWaalsContact OD1-N 3.11Å; N240-R243 HydrophobicContact CB-CB 3.88Å; N240-R243 VanDerWaalsContact CG-CB 3.49Å; N240-R243 PolarHBondContact O-N 3.39Å; N240-R243 PolarHBondContact OD1-N 3.24Å; N240-S244 PolarHBondContact O-N 2.97Å; N240-S244 VanDerWaalsContact O-N 3.11Å; N240-S244 PolarHBondContact O-OG 3.23Å | ||
| 241 | A | 84.3 | Confident | 91.8 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.1 | -29.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S244 G245 | A241-S244 WeakPolarHBondContact CA-OG 3.49Å; A241-S244 PolarHBondContact O-OG 3.14Å; A241-G245 PolarHBondContact O-N 3.48Å |
| 242 | E | 88.1 | Confident | 91.8 | Very high | 155 Ų | 155 | 65.5 Ų | 65.5 | 72% | 0.724 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.2 | -44.2 | 177.7 | -174.1 | 179.6 | 175.5 | 0 | 0 | 110.8 | N240 K246 | N240-E242 VanDerWaalsContact C-N 3.27Å; N240-E242 PolarHBondContact O-N 3.28Å; N240-E242 PolarHBondContact OD1-N 2.89Å; N240-E242 VanDerWaalsContact OD1-N 3.11Å; E242-K246 VanDerWaalsContact O-CB 3.29Å; E242-K246 WeakPolarHBondContact O-CB 3.46Å; E242-K246 PolarHBondContact O-N 3.31Å |
| 243 | R | 90.9 | Very high | 92 | Very high | 128 Ų | 128 | 64.7 Ų | 64.7 | 48% | 0.483 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.2 | -58.7 | 176.7 | 178 | 177.9 | 64.5 | -175.5 | -2.4 | 111 | D238 N240 G245 K246 T247 | D238-R243 IonicContact OD1-CZ 3.92Å; D238-R243 IonicContact OD1-NE 3.74Å; D238-R243 PolarHBondContact OD1-NE 3.19Å; D238-R243 IonicContact OD1-NH2 3.53Å; D238-R243 PolarHBondContact OD1-NH2 3.41Å; D238-R243 IonicContact OD2-CZ 3.56Å; D238-R243 IonicContact OD2-NE 2.61Å; D238-R243 PolarHBondContact OD2-NE 3.07Å; D238-R243 IonicContact OD2-NH2 2.73Å; D238-R243 PolarHBondContact OD2-NH2 3.4Å; N240-R243 HydrophobicContact CB-CB 3.88Å; N240-R243 VanDerWaalsContact CG-CB 3.49Å; N240-R243 PolarHBondContact O-N 3.39Å; N240-R243 PolarHBondContact OD1-N 3.24Å; R243-G245 VanDerWaalsContact C-N 3.35Å; R243-G245 PolarHBondContact O-N 2.96Å; R243-K246 PolarHBondContact O-N 2.95Å; R243-T247 PolarHBondContact O-N 3.14Å; R243-T247 PolarHBondContact O-OG1 3.4Å; R243-T247 VanDerWaalsContact O-OG1 3.14Å |
| 244 | S | 91 | Very high | 92.1 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.014 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 178.6 | 46.7 | 0 | 0 | 0 | 0 | 111.5 | D238 N240 A241 K246 T247 T248 | D238-S244 VanDerWaalsContact CB-CB 3.45Å; D238-S244 WeakPolarHBondContact OD2-CB 3.48Å; D238-S244 PolarHBondContact OD2-N 3Å; N240-S244 PolarHBondContact O-N 2.97Å; N240-S244 VanDerWaalsContact O-N 3.11Å; N240-S244 PolarHBondContact O-OG 3.23Å; A241-S244 WeakPolarHBondContact CA-OG 3.49Å; A241-S244 PolarHBondContact O-OG 3.14Å; S244-K246 VanDerWaalsContact C-N 3.3Å; S244-K246 PolarHBondContact O-N 2.86Å; S244-T247 PolarHBondContact O-N 2.69Å; S244-T247 VanDerWaalsContact O-N 3.15Å; S244-T248 VanDerWaalsContact O-CG2 3.26Å; S244-T248 WeakPolarHBondContact O-CG2 3.43Å; S244-T248 PolarHBondContact O-N 3.49Å; S244-T248 PolarHBondContact O-OG1 3.45Å; S244-T248 VanDerWaalsContact O-OG1 3.12Å |
| 245 | G | 92.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 60.9 Ų | 60.9 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A241 R243 T248 R249 | A241-G245 PolarHBondContact O-N 3.48Å; R243-G245 VanDerWaalsContact C-N 3.35Å; R243-G245 PolarHBondContact O-N 2.96Å; G245-T248 WeakPolarHBondContact CA-OG1 3.42Å; G245-T248 PolarHBondContact O-OG1 3.02Å; G245-R249 WeakPolarHBondContact O-CB 3.39Å; G245-R249 VanDerWaalsContact O-CG 3.23Å; G245-R249 WeakPolarHBondContact O-CG 3.48Å; G245-R249 PolarHBondContact O-N 3.22Å; G245-R249 PolarHBondContact O-NE 3.29Å; G245-R249 PolarHBondContact O-NH1 3.02Å; G245-R249 VanDerWaalsContact O-NH1 3.08Å |
| 246 | K | 94.9 | Very high | 92.6 | Very high | 150 Ų | 150 | 62.5 Ų | 62.5 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -67.7 | -47.1 | 174.7 | -175.2 | 177 | 179.8 | 179.2 | 0 | 110.8 | E242 R243 S244 G250 | E242-K246 VanDerWaalsContact O-CB 3.29Å; E242-K246 WeakPolarHBondContact O-CB 3.46Å; E242-K246 PolarHBondContact O-N 3.31Å; R243-K246 PolarHBondContact O-N 2.95Å; S244-K246 VanDerWaalsContact C-N 3.3Å; S244-K246 PolarHBondContact O-N 2.86Å; K246-G250 PolarHBondContact O-N 3.19Å; K246-G250 VanDerWaalsContact O-N 3.08Å |
| 247 | T | 95.1 | Very high | 93 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 178.7 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | L234 R243 S244 R249 G250 I251 | L234-T247 HydrophobicContact CD2-CG2 4.3Å; R243-T247 PolarHBondContact O-N 3.14Å; R243-T247 PolarHBondContact O-OG1 3.4Å; R243-T247 VanDerWaalsContact O-OG1 3.14Å; S244-T247 PolarHBondContact O-N 2.69Å; S244-T247 VanDerWaalsContact O-N 3.15Å; T247-R249 PolarHBondContact O-N 2.93Å; T247-G250 PolarHBondContact O-N 3.49Å; T247-I251 HydrophobicContact CG2-CD1 3.85Å; T247-I251 WeakPolarHBondContact O-CG1 3.49Å; T247-I251 PolarHBondContact O-N 3.03Å |
| 248 | T | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -40.2 | -178.1 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | L231 L234 E235 S244 G245 G250 I251 R252 | L231-T248 HydrophobicContact CB-CG2 4.04Å; L231-T248 HydrophobicContact CD2-CG2 4.01Å; L234-T248 HydrophobicContact CD2-CG2 4.35Å; E235-T248 HydrophobicContact CG-CG2 3.49Å; E235-T248 VanDerWaalsContact CG-CG2 3.49Å; E235-T248 VanDerWaalsContact OE1-CB 3.23Å; E235-T248 WeakPolarHBondContact OE1-CB 3.46Å; E235-T248 PolarHBondContact OE1-OG1 3.06Å; S244-T248 VanDerWaalsContact O-CG2 3.26Å; S244-T248 WeakPolarHBondContact O-CG2 3.43Å; S244-T248 PolarHBondContact O-N 3.49Å; S244-T248 PolarHBondContact O-OG1 3.45Å; S244-T248 VanDerWaalsContact O-OG1 3.12Å; G245-T248 WeakPolarHBondContact CA-OG1 3.42Å; G245-T248 PolarHBondContact O-OG1 3.02Å; T248-G250 VanDerWaalsContact C-N 3.32Å; T248-G250 PolarHBondContact O-N 3.12Å; T248-I251 PolarHBondContact O-N 3.28Å; T248-R252 WeakPolarHBondContact O-CB 3.46Å; T248-R252 VanDerWaalsContact O-CG 3.27Å; T248-R252 WeakPolarHBondContact O-CG 3.26Å; T248-R252 PolarHBondContact O-N 3.31Å; T248-R252 PolarHBondContact OG1-NH1 2.95Å |
| 249 | R | 97.4 | Very high | 93.9 | Very high | 154 Ų | 154 | 71.4 Ų | 71.4 | 58% | 0.581 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 172.6 | -76.3 | -170.9 | -56.7 | -89.1 | 3.5 | 111.6 | G245 T247 R252 A253 | G245-R249 WeakPolarHBondContact O-CB 3.39Å; G245-R249 VanDerWaalsContact O-CG 3.23Å; G245-R249 WeakPolarHBondContact O-CG 3.48Å; G245-R249 PolarHBondContact O-N 3.22Å; G245-R249 PolarHBondContact O-NE 3.29Å; G245-R249 PolarHBondContact O-NH1 3.02Å; G245-R249 VanDerWaalsContact O-NH1 3.08Å; T247-R249 PolarHBondContact O-N 2.93Å; R249-R252 PolarHBondContact O-N 2.99Å; R249-A253 WeakPolarHBondContact O-CB 3.46Å; R249-A253 PolarHBondContact O-N 2.8Å |
| 250 | G | 98.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 74.8 Ų | 74.8 | 38% | 0.381 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.6 | -51.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K246 T247 T248 R252 A253 C254 | K246-G250 PolarHBondContact O-N 3.19Å; K246-G250 VanDerWaalsContact O-N 3.08Å; T247-G250 PolarHBondContact O-N 3.49Å; T248-G250 VanDerWaalsContact C-N 3.32Å; T248-G250 PolarHBondContact O-N 3.12Å; G250-R252 PolarHBondContact O-N 3.38Å; G250-A253 WeakPolarHBondContact O-CB 3.36Å; G250-A253 PolarHBondContact O-N 3.13Å; G250-C254 PolarHBondContact O-N 3.43Å; G250-C254 PolarHBondContact O-SG 2.99Å; G250-C254 VanDerWaalsContact O-SG 3.33Å |
| 251 | I | 97.7 | Very high | 95 | Very high | 64 Ų | 64 | 74.3 Ų | 74.3 | 33% | 0.328 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 179.5 | -63.6 | 168.4 | 0 | 0 | 0 | 111 | I227 L231 T247 T248 A253 C254 L255 | I227-I251 HydrophobicContact CG2-CG2 4.42Å; L231-I251 HydrophobicContact CD1-CB 4.16Å; L231-I251 HydrophobicContact CD1-CG2 3.85Å; L231-I251 HydrophobicContact CD2-CB 4.07Å; L231-I251 HydrophobicContact CD2-CD1 3.61Å; L231-I251 HydrophobicContact CD2-CG1 4.43Å; L231-I251 HydrophobicContact CD2-CG2 4.04Å; L231-I251 HydrophobicContact CG-CG2 4.47Å; T247-I251 HydrophobicContact CG2-CD1 3.85Å; T247-I251 WeakPolarHBondContact O-CG1 3.49Å; T247-I251 PolarHBondContact O-N 3.03Å; T248-I251 PolarHBondContact O-N 3.28Å; I251-A253 PolarHBondContact O-N 3.13Å; I251-C254 CarbonylContact O-C 3.59Å; I251-C254 WeakPolarHBondContact O-CB 3.49Å; I251-C254 PolarHBondContact O-N 2.97Å; I251-L255 HydrophobicContact CG2-CD1 3.97Å; I251-L255 HydrophobicContact CG2-CG 4.28Å; I251-L255 WeakPolarHBondContact O-CG 3.4Å; I251-L255 PolarHBondContact O-N 3.32Å |
| 252 | R | 97.7 | Very high | 95.5 | Very high | 49 Ų | 49 | 73.7 Ų | 73.7 | 19% | 0.185 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.6 | -37 | 177.5 | -74.2 | 178.6 | -174.1 | 121.9 | -5.8 | 112.3 | E228 L231 E235 T248 R249 G250 L255 E256 | E228-R252 IonicContact OE1-CZ 3.3Å; E228-R252 VanDerWaalsContact OE1-CZ 3.24Å; E228-R252 IonicContact OE1-NE 3.73Å; E228-R252 PolarHBondContact OE1-NE 3.39Å; E228-R252 IonicContact OE1-NH2 3.91Å; E228-R252 PolarHBondContact OE1-NH2 3.09Å; E228-R252 IonicContact OE2-NE 3.06Å; E228-R252 PolarHBondContact OE2-NE 3.37Å; L231-R252 HydrophobicContact CD1-CG 3.73Å; E235-R252 IonicContact OE1-CZ 3.12Å; E235-R252 IonicContact OE1-NH1 3.48Å; E235-R252 PolarHBondContact OE1-NH1 2.87Å; E235-R252 IonicContact OE1-NH2 2.84Å; E235-R252 IonicContact OE2-CZ 2.98Å; E235-R252 IonicContact OE2-NH1 3.63Å; E235-R252 IonicContact OE2-NH2 2.64Å; E235-R252 PolarHBondContact OE2-NH2 3.39Å; T248-R252 WeakPolarHBondContact O-CB 3.46Å; T248-R252 VanDerWaalsContact O-CG 3.27Å; T248-R252 WeakPolarHBondContact O-CG 3.26Å; T248-R252 PolarHBondContact O-N 3.31Å; T248-R252 PolarHBondContact OG1-NH1 2.95Å; R249-R252 PolarHBondContact O-N 2.99Å; G250-R252 PolarHBondContact O-N 3.38Å; R252-L255 PolarHBondContact O-N 2.88Å; R252-E256 PolarHBondContact O-N 3.36Å |
| 253 | A | 98.1 | Very high | 95.8 | Very high | 65 Ų | 65 | 73.2 Ų | 73.2 | 54% | 0.537 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | R249 G250 I251 L255 E256 | R249-A253 WeakPolarHBondContact O-CB 3.46Å; R249-A253 PolarHBondContact O-N 2.8Å; G250-A253 WeakPolarHBondContact O-CB 3.36Å; G250-A253 PolarHBondContact O-N 3.13Å; I251-A253 PolarHBondContact O-N 3.13Å; A253-L255 PolarHBondContact O-N 3.22Å; A253-E256 VanDerWaalsContact O-CB 3.31Å; A253-E256 WeakPolarHBondContact O-CB 3.45Å; A253-E256 PolarHBondContact O-N 3.11Å; A253-E256 VanDerWaalsContact O-N 3.16Å |
| 254 | C | 97.3 | Very high | 96 | Very high | 98 Ų | 98 | 71 Ų | 71 | 66% | 0.662 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.8 | -24.3 | 174.7 | -64.7 | 0 | 0 | 0 | 0 | 113.4 | G250 I251 P257 | G250-C254 PolarHBondContact O-N 3.43Å; G250-C254 PolarHBondContact O-SG 2.99Å; G250-C254 VanDerWaalsContact O-SG 3.33Å; I251-C254 CarbonylContact O-C 3.59Å; I251-C254 WeakPolarHBondContact O-CB 3.49Å; I251-C254 PolarHBondContact O-N 2.97Å; C254-P257 WeakPolarHBondContact O-CD 3.42Å |
| 255 | L | 96.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 74 Ų | 74 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.1 | 176.8 | -66.7 | 172.1 | 0 | 0 | 0 | 114 | L224 I227 I251 R252 A253 Y258 K259 | L224-L255 HydrophobicContact CD2-CB 4.32Å; L224-L255 HydrophobicContact CD2-CD2 4.21Å; I227-L255 HydrophobicContact CB-CD1 4.31Å; I227-L255 HydrophobicContact CD1-CD2 4.04Å; I227-L255 HydrophobicContact CG2-CD1 3.56Å; I251-L255 HydrophobicContact CG2-CD1 3.97Å; I251-L255 HydrophobicContact CG2-CG 4.28Å; I251-L255 WeakPolarHBondContact O-CG 3.4Å; I251-L255 PolarHBondContact O-N 3.32Å; R252-L255 PolarHBondContact O-N 2.88Å; A253-L255 PolarHBondContact O-N 3.22Å; L255-Y258 HydrophobicContact CD2-CD2 4.44Å; L255-Y258 WeakPolarHBondContact O-CB 3.45Å; L255-Y258 PolarHBondContact O-N 3.17Å; L255-Y258 VanDerWaalsContact O-N 3.1Å; L255-K259 PolarHBondContact O-N 3.34Å; L255-K259 VanDerWaalsContact O-N 3.11Å |
| 256 | E | 97.3 | Very high | 95.9 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.6 | -42.6 | -177 | -166.7 | 57.1 | -145.2 | 0 | 0 | 113.5 | R252 A253 Y258 K259 Q260 | R252-E256 PolarHBondContact O-N 3.36Å; A253-E256 VanDerWaalsContact O-CB 3.31Å; A253-E256 WeakPolarHBondContact O-CB 3.45Å; A253-E256 PolarHBondContact O-N 3.11Å; A253-E256 VanDerWaalsContact O-N 3.16Å; E256-Y258 VanDerWaalsContact C-N 3.26Å; E256-Y258 PolarHBondContact O-N 2.95Å; E256-K259 WeakPolarHBondContact O-CB 3.46Å; E256-K259 PolarHBondContact O-N 3.44Å; E256-K259 VanDerWaalsContact O-N 3.07Å; E256-K259 WeakPolarHBondContact OE2-CD 3.44Å; E256-K259 IonicContact OE2-NZ 3.49Å; E256-Q260 WeakPolarHBondContact O-CG 3.2Å; E256-Q260 PolarHBondContact O-N 2.8Å; E256-Q260 PolarHBondContact OE1-NE2 3.46Å |
| 257 | P | 97.3 | Very high | 95.8 | Very high | 90 Ų | 90 | 70.9 Ų | 70.9 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.4 | -37.4 | 175.2 | -25.4 | 35.8 | 0 | 0 | 0 | 113.5 | C254 Q260 L261 | C254-P257 WeakPolarHBondContact O-CD 3.42Å; P257-Q260 PolarHBondContact O-N 3.23Å; P257-L261 PolarHBondContact O-N 3.38Å |
| 258 | Y | 96.4 | Very high | 95.5 | Very high | 117 Ų | 117 | 74.6 Ų | 74.6 | 46% | 0.459 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.3 | -34.1 | 177.4 | -72.9 | -73.4 | 0 | 0 | 0 | 112.5 | L220 L255 E256 L261 L262 | L220-Y258 HydrophobicContact CD1-CD1 3.82Å; L220-Y258 HydrophobicContact CD1-CG 4.37Å; L255-Y258 HydrophobicContact CD2-CD2 4.44Å; L255-Y258 WeakPolarHBondContact O-CB 3.45Å; L255-Y258 PolarHBondContact O-N 3.17Å; L255-Y258 VanDerWaalsContact O-N 3.1Å; E256-Y258 VanDerWaalsContact C-N 3.26Å; E256-Y258 PolarHBondContact O-N 2.95Å; Y258-L261 PolarHBondContact O-N 3.46Å; Y258-L262 PolarHBondContact O-N 3.44Å |
| 259 | K | 95.9 | Very high | 95 | Very high | 74 Ų | 74 | 77.4 Ų | 77.4 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 172.2 | -67.6 | 175.3 | -177.4 | 169.1 | 0 | 111.4 | L224 L255 E256 L262 Y263 | L224-K259 HydrophobicContact CD1-CG 4.4Å; L255-K259 PolarHBondContact O-N 3.34Å; L255-K259 VanDerWaalsContact O-N 3.11Å; E256-K259 WeakPolarHBondContact O-CB 3.46Å; E256-K259 PolarHBondContact O-N 3.44Å; E256-K259 VanDerWaalsContact O-N 3.07Å; E256-K259 WeakPolarHBondContact OE2-CD 3.44Å; E256-K259 IonicContact OE2-NZ 3.49Å; K259-L262 PolarHBondContact O-N 3.09Å; K259-Y263 PolarHBondContact O-N 2.88Å |
| 260 | Q | 96.8 | Very high | 94.5 | Very high | 91 Ų | 91 | 77.5 Ų | 77.5 | 43% | 0.425 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 174.3 | -62.9 | -56.4 | -35.2 | 0 | 0 | 111.3 | E256 P257 L262 Y263 E264 | E256-Q260 WeakPolarHBondContact O-CG 3.2Å; E256-Q260 PolarHBondContact O-N 2.8Å; E256-Q260 PolarHBondContact OE1-NE2 3.46Å; P257-Q260 PolarHBondContact O-N 3.23Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 3Å; Q260-Y263 WeakPolarHBondContact O-CB 3.43Å; Q260-Y263 PolarHBondContact O-N 2.9Å; Q260-Y263 VanDerWaalsContact O-N 3.13Å; Q260-E264 WeakPolarHBondContact O-CG 3.39Å; Q260-E264 PolarHBondContact O-N 3.07Å |
| 261 | L | 94.4 | Very high | 93.9 | Very high | 58 Ų | 58 | 81.4 Ų | 81.4 | 30% | 0.304 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.9 | -41 | 174.8 | 179.8 | 62.4 | 0 | 0 | 0 | 112.5 | L220 P257 Y258 R265 | L220-L261 HydrophobicContact CD2-CB 4.25Å; L220-L261 HydrophobicContact CD2-CD2 3.93Å; L220-L261 HydrophobicContact CD2-CG 3.89Å; P257-L261 PolarHBondContact O-N 3.38Å; Y258-L261 PolarHBondContact O-N 3.46Å; L261-R265 HydrophobicContact CD1-CG 4.45Å; L261-R265 WeakPolarHBondContact O-CB 3.36Å; L261-R265 VanDerWaalsContact O-CG 3.26Å; L261-R265 WeakPolarHBondContact O-CG 3.22Å; L261-R265 PolarHBondContact O-N 3.3Å |
| 262 | L | 94.7 | Very high | 93.5 | Very high | 43 Ų | 43 | 86 Ų | 86 | 23% | 0.225 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 176.2 | -176.2 | 144.3 | 0 | 0 | 0 | 111.9 | L220 S221 L224 Y258 K259 Q260 R265 S266 | L220-L262 HydrophobicContact CD2-CB 3.84Å; L220-L262 HydrophobicContact CG-CB 4.3Å; L220-L262 HydrophobicContact CG-CD1 4.27Å; S221-L262 VanDerWaalsContact CA-CD1 3.44Å; L224-L262 HydrophobicContact CD1-CB 4.36Å; L224-L262 HydrophobicContact CD1-CD1 4.02Å; Y258-L262 PolarHBondContact O-N 3.44Å; K259-L262 PolarHBondContact O-N 3.09Å; Q260-L262 VanDerWaalsContact C-N 3.3Å; Q260-L262 PolarHBondContact O-N 3Å; L262-R265 PolarHBondContact O-N 3.32Å; L262-S266 WeakPolarHBondContact O-CB 3.35Å; L262-S266 PolarHBondContact O-N 3.25Å; L262-S266 PolarHBondContact O-OG 3.15Å |
| 263 | Y | 94.6 | Very high | 93.1 | Very high | 145 Ų | 145 | 89.9 Ų | 89.9 | 57% | 0.569 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60.6 | -49.1 | 175 | 175.9 | -101 | 0 | 0 | 0 | 111.1 | K259 Q260 R265 S266 T267 | K259-Y263 PolarHBondContact O-N 2.88Å; Q260-Y263 WeakPolarHBondContact O-CB 3.43Å; Q260-Y263 PolarHBondContact O-N 2.9Å; Q260-Y263 VanDerWaalsContact O-N 3.13Å; Y263-R265 PolarHBondContact O-N 3.14Å; Y263-S266 WeakPolarHBondContact O-CB 3.48Å; Y263-S266 PolarHBondContact O-N 3.06Å; Y263-S266 VanDerWaalsContact O-N 3.13Å; Y263-T267 HydrophobicContact CD1-CG2 4.2Å; Y263-T267 HydrophobicContact CD2-CG2 4.31Å; Y263-T267 HydrophobicContact CE1-CG2 3.75Å; Y263-T267 HydrophobicContact CE2-CG2 3.87Å; Y263-T267 HydrophobicContact CG-CG2 4.46Å; Y263-T267 WeakPolarHBondContact O-CG2 3.22Å; Y263-T267 PolarHBondContact O-N 2.91Å; Y263-T267 PolarHBondContact O-OG1 2.93Å |
| 264 | E | 94.5 | Very high | 92.6 | Very high | 80 Ų | 80 | 91.1 Ų | 91.1 | 37% | 0.374 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 176.4 | -73.8 | -176.2 | -148.5 | 0 | 0 | 112.9 | Q260 S266 T267 R268 | Q260-E264 WeakPolarHBondContact O-CG 3.39Å; Q260-E264 PolarHBondContact O-N 3.07Å; E264-S266 VanDerWaalsContact C-N 3.25Å; E264-S266 PolarHBondContact O-N 3.34Å; E264-T267 WeakPolarHBondContact CA-OG1 3.48Å; E264-T267 PolarHBondContact O-N 3.39Å; E264-T267 PolarHBondContact O-OG1 3.28Å; E264-R268 WeakPolarHBondContact O-CB 3.42Å; E264-R268 WeakPolarHBondContact O-CG 3.43Å; E264-R268 PolarHBondContact O-N 2.89Å; E264-R268 IonicContact OE2-CZ 2.71Å; E264-R268 IonicContact OE2-NH2 3.46Å; E264-R268 PolarHBondContact OE2-NH2 3.42Å |
| 265 | R | 92.9 | Very high | 92.3 | Very high | 67 Ų | 67 | 91.1 Ų | 91.1 | 25% | 0.253 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.2 | -74.8 | 171.5 | 172.6 | -163 | -4.4 | 111.3 | M215 T216 T217 L261 L262 Y263 A269 | M215-R265 PolarHBondContact O-NH1 3.48Å; M215-R265 PolarHBondContact O-NH2 2.94Å; T216-R265 PolarHBondContact O-NH1 3Å; T217-R265 HydrophobicContact CG2-CB 3.9Å; L261-R265 HydrophobicContact CD1-CG 4.45Å; L261-R265 WeakPolarHBondContact O-CB 3.36Å; L261-R265 VanDerWaalsContact O-CG 3.26Å; L261-R265 WeakPolarHBondContact O-CG 3.22Å; L261-R265 PolarHBondContact O-N 3.3Å; L262-R265 PolarHBondContact O-N 3.32Å; Y263-R265 PolarHBondContact O-N 3.14Å; R265-A269 WeakPolarHBondContact O-CB 3.38Å; R265-A269 PolarHBondContact O-N 3.28Å; R265-A269 VanDerWaalsContact O-N 3.15Å |
| 266 | S | 89.2 | Confident | 92 | Very high | 45 Ų | 45 | 97 Ų | 97 | 32% | 0.315 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.6 | -41.2 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 112.6 | L262 Y263 E264 K270 | L262-S266 WeakPolarHBondContact O-CB 3.35Å; L262-S266 PolarHBondContact O-N 3.25Å; L262-S266 PolarHBondContact O-OG 3.15Å; Y263-S266 WeakPolarHBondContact O-CB 3.48Å; Y263-S266 PolarHBondContact O-N 3.06Å; Y263-S266 VanDerWaalsContact O-N 3.13Å; E264-S266 VanDerWaalsContact C-N 3.25Å; E264-S266 PolarHBondContact O-N 3.34Å; S266-K270 WeakPolarHBondContact O-CG 3.49Å; S266-K270 PolarHBondContact O-N 2.6Å |
| 267 | T | 91.5 | Very high | 91.5 | Very high | 46 Ų | 46 | 99.6 Ų | 99.6 | 28% | 0.282 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 177.4 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | Y263 E264 A269 K270 Q271 | Y263-T267 HydrophobicContact CD1-CG2 4.2Å; Y263-T267 HydrophobicContact CD2-CG2 4.31Å; Y263-T267 HydrophobicContact CE1-CG2 3.75Å; Y263-T267 HydrophobicContact CE2-CG2 3.87Å; Y263-T267 HydrophobicContact CG-CG2 4.46Å; Y263-T267 WeakPolarHBondContact O-CG2 3.22Å; Y263-T267 PolarHBondContact O-N 2.91Å; Y263-T267 PolarHBondContact O-OG1 2.93Å; E264-T267 WeakPolarHBondContact CA-OG1 3.48Å; E264-T267 PolarHBondContact O-N 3.39Å; E264-T267 PolarHBondContact O-OG1 3.28Å; T267-A269 VanDerWaalsContact C-N 3.29Å; T267-A269 PolarHBondContact O-N 3.13Å; T267-K270 WeakPolarHBondContact O-CB 3.39Å; T267-K270 PolarHBondContact O-N 3.02Å; T267-K270 VanDerWaalsContact O-N 3.14Å; T267-Q271 PolarHBondContact O-N 2.92Å |
| 268 | R | 90.6 | Very high | 91 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.9 | -39.1 | 175.2 | -71.6 | 177.9 | -160.6 | -162.7 | 10.6 | 111.9 | E264 Q271 K272 | E264-R268 WeakPolarHBondContact O-CB 3.42Å; E264-R268 WeakPolarHBondContact O-CG 3.43Å; E264-R268 PolarHBondContact O-N 2.89Å; E264-R268 IonicContact OE2-CZ 2.71Å; E264-R268 IonicContact OE2-NH2 3.46Å; E264-R268 PolarHBondContact OE2-NH2 3.42Å; R268-Q271 PolarHBondContact O-N 3.37Å; R268-K272 WeakPolarHBondContact O-CB 3.4Å; R268-K272 WeakPolarHBondContact O-CG 3.34Å; R268-K272 PolarHBondContact O-N 2.88Å |
| 269 | A | 86.3 | Confident | 90.7 | Very high | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | R265 T267 K273 | R265-A269 WeakPolarHBondContact O-CB 3.38Å; R265-A269 PolarHBondContact O-N 3.28Å; R265-A269 VanDerWaalsContact O-N 3.15Å; T267-A269 VanDerWaalsContact C-N 3.29Å; T267-A269 PolarHBondContact O-N 3.13Å; A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 PolarHBondContact O-N 3.15Å |
| 270 | K | 85.6 | Confident | 90.2 | Very high | 156 Ų | 156 | 97.5 Ų | 97.5 | 68% | 0.678 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 175.2 | -68 | 173 | -176.3 | 179.7 | 0 | 111.7 | S266 T267 K273 L274 | S266-K270 WeakPolarHBondContact O-CG 3.49Å; S266-K270 PolarHBondContact O-N 2.6Å; T267-K270 WeakPolarHBondContact O-CB 3.39Å; T267-K270 PolarHBondContact O-N 3.02Å; T267-K270 VanDerWaalsContact O-N 3.14Å; K270-K273 PolarHBondContact O-N 3.27Å; K270-L274 PolarHBondContact O-N 3.33Å |
| 271 | Q | 86.9 | Confident | 89.5 | Confident | 119 Ų | 119 | 99.2 Ų | 99.2 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.3 | -49 | 177.4 | -172.2 | 178 | -0.8 | 0 | 0 | 111.2 | T267 R268 K273 L274 E275 | T267-Q271 PolarHBondContact O-N 2.92Å; R268-Q271 PolarHBondContact O-N 3.37Å; Q271-K273 VanDerWaalsContact C-N 3.28Å; Q271-K273 PolarHBondContact O-N 3.47Å; Q271-L274 WeakPolarHBondContact O-CB 3.06Å; Q271-L274 PolarHBondContact O-N 2.88Å; Q271-E275 HydrophobicContact CG-CG 4.43Å; Q271-E275 WeakPolarHBondContact O-CG 3.46Å; Q271-E275 PolarHBondContact O-N 3.05Å |
| 272 | K | 89.6 | Confident | 88.8 | Confident | 160 Ų | 160 | 103.2 Ų | 103.2 | 70% | 0.696 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -57.2 | -40.8 | 176 | -74.2 | -179.9 | 179.3 | -172.3 | 0 | 112.5 | R268 L274 F276 | R268-K272 WeakPolarHBondContact O-CB 3.4Å; R268-K272 WeakPolarHBondContact O-CG 3.34Å; R268-K272 PolarHBondContact O-N 2.88Å; K272-L274 VanDerWaalsContact C-N 3.35Å; K272-F276 WeakPolarHBondContact O-CB 3.44Å; K272-F276 PolarHBondContact O-N 3.12Å |
| 273 | K | 88.7 | Confident | 87.9 | Confident | 131 Ų | 131 | 108 Ų | 108 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 175.7 | -176.4 | 172.3 | -178.2 | 176.4 | 0 | 111.4 | A269 K270 Q271 F276 Y277 | A269-K273 WeakPolarHBondContact O-CB 3.49Å; A269-K273 PolarHBondContact O-N 3.15Å; K270-K273 PolarHBondContact O-N 3.27Å; Q271-K273 VanDerWaalsContact C-N 3.28Å; Q271-K273 PolarHBondContact O-N 3.47Å; K273-F276 PolarHBondContact O-N 3Å; K273-Y277 HydrophobicContact CD-CE2 4.37Å; K273-Y277 HydrophobicContact CG-CD2 4.24Å; K273-Y277 HydrophobicContact CG-CE2 3.74Å; K273-Y277 WeakPolarHBondContact O-CD2 3.42Å; K273-Y277 PolarHBondContact O-N 3.34Å |
| 274 | L | 87.8 | Confident | 86.5 | Confident | 91 Ų | 91 | 107.7 Ų | 107.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -46.9 | 177.9 | -174.8 | 65.7 | 0 | 0 | 0 | 112.3 | K270 Q271 K272 F276 Y277 F278 | K270-L274 PolarHBondContact O-N 3.33Å; Q271-L274 WeakPolarHBondContact O-CB 3.06Å; Q271-L274 PolarHBondContact O-N 2.88Å; K272-L274 VanDerWaalsContact C-N 3.35Å; L274-F276 PolarHBondContact O-N 3.3Å; L274-Y277 PolarHBondContact O-N 3.49Å; L274-Y277 VanDerWaalsContact O-N 3.12Å; L274-F278 HydrophobicContact CD1-CD2 4.36Å; L274-F278 HydrophobicContact CD1-CE2 3.74Å; L274-F278 HydrophobicContact CD1-CZ 4.2Å; L274-F278 HydrophobicContact CD2-CE2 3.93Å; L274-F278 HydrophobicContact CG-CD2 3.97Å; L274-F278 HydrophobicContact CG-CE2 3.5Å; L274-F278 HydrophobicContact CG-CZ 4.4Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å; L274-F278 PolarHBondContact O-N 3.3Å; L274-F278 VanDerWaalsContact O-N 3.09Å |
| 275 | E | 90.7 | Very high | 84.7 | Confident | 97 Ų | 97 | 108.3 Ų | 108.3 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -37 | 175.9 | -68.1 | -57 | 149.1 | 0 | 0 | 112.1 | Q271 F278 T279 | Q271-E275 HydrophobicContact CG-CG 4.43Å; Q271-E275 WeakPolarHBondContact O-CG 3.46Å; Q271-E275 PolarHBondContact O-N 3.05Å; E275-F278 PolarHBondContact O-N 2.93Å; E275-T279 WeakPolarHBondContact O-CB 3.36Å; E275-T279 PolarHBondContact O-N 3.41Å; E275-T279 PolarHBondContact O-OG1 3.47Å |
| 276 | F | 90.1 | Very high | 83.1 | Confident | 145 Ų | 145 | 110.7 Ų | 110.7 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 174.9 | 179.8 | -95.4 | 0 | 0 | 0 | 112.2 | K272 K273 L274 T279 A280 | K272-F276 WeakPolarHBondContact O-CB 3.44Å; K272-F276 PolarHBondContact O-N 3.12Å; K273-F276 PolarHBondContact O-N 3Å; L274-F276 PolarHBondContact O-N 3.3Å; F276-T279 PolarHBondContact O-N 3.28Å; F276-A280 WeakPolarHBondContact O-CB 3.44Å; F276-A280 PolarHBondContact O-N 3.35Å |
| 277 | Y | 86.7 | Confident | 81.7 | Confident | 134 Ų | 134 | 115.1 Ų | 115.1 | 53% | 0.525 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.1 | -44.1 | 175.2 | -77 | -70.5 | 0 | 0 | 0 | 112.1 | K273 L274 T279 A280 M281 | K273-Y277 HydrophobicContact CD-CE2 4.37Å; K273-Y277 HydrophobicContact CG-CD2 4.24Å; K273-Y277 HydrophobicContact CG-CE2 3.74Å; K273-Y277 WeakPolarHBondContact O-CD2 3.42Å; K273-Y277 PolarHBondContact O-N 3.34Å; L274-Y277 PolarHBondContact O-N 3.49Å; L274-Y277 VanDerWaalsContact O-N 3.12Å; Y277-T279 VanDerWaalsContact C-N 3.34Å; Y277-T279 PolarHBondContact O-N 2.77Å; Y277-A280 PolarHBondContact O-N 2.89Å; Y277-M281 WeakPolarHBondContact O-CG 3.32Å; Y277-M281 PolarHBondContact O-N 3.09Å |
| 278 | F | 87.9 | Confident | 80.1 | Confident | 114 Ų | 114 | 120.8 Ų | 120.8 | 50% | 0.5 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -41 | 176.6 | -72.7 | -56.5 | 0 | 0 | 0 | 112.3 | L274 E275 A280 M281 K282 | L274-F278 HydrophobicContact CD1-CD2 4.36Å; L274-F278 HydrophobicContact CD1-CE2 3.74Å; L274-F278 HydrophobicContact CD1-CZ 4.2Å; L274-F278 HydrophobicContact CD2-CE2 3.93Å; L274-F278 HydrophobicContact CG-CD2 3.97Å; L274-F278 HydrophobicContact CG-CE2 3.5Å; L274-F278 HydrophobicContact CG-CZ 4.4Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å; L274-F278 PolarHBondContact O-N 3.3Å; L274-F278 VanDerWaalsContact O-N 3.09Å; E275-F278 PolarHBondContact O-N 2.93Å; F278-A280 PolarHBondContact O-N 3.35Å; F278-M281 PolarHBondContact O-N 3.44Å; F278-K282 PolarHBondContact O-N 3.18Å |
| 279 | T | 89.1 | Confident | 78.4 | Confident | 75 Ų | 75 | 122.6 Ų | 122.6 | 46% | 0.46 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.1 | -41.7 | 176.3 | -55.1 | 0 | 0 | 0 | 0 | 111.5 | E275 F276 Y277 K282 K283 | E275-T279 WeakPolarHBondContact O-CB 3.36Å; E275-T279 PolarHBondContact O-N 3.41Å; E275-T279 PolarHBondContact O-OG1 3.47Å; F276-T279 PolarHBondContact O-N 3.28Å; Y277-T279 VanDerWaalsContact C-N 3.34Å; Y277-T279 PolarHBondContact O-N 2.77Å; T279-K282 PolarHBondContact O-N 3.33Å; T279-K283 PolarHBondContact O-N 3Å |
| 280 | A | 85.9 | Confident | 77 | Confident | 48 Ų | 48 | 124.7 Ų | 124.7 | 40% | 0.397 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.6 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F276 Y277 F278 | F276-A280 WeakPolarHBondContact O-CB 3.44Å; F276-A280 PolarHBondContact O-N 3.35Å; Y277-A280 PolarHBondContact O-N 2.89Å; F278-A280 PolarHBondContact O-N 3.35Å |
| 281 | M | 81.2 | Confident | 75.8 | Confident | 128 Ų | 128 | 125 Ų | 125 | 63% | 0.631 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.8 | -39.6 | 176 | -67.1 | -133.7 | -60.7 | 0 | 0 | 112.5 | Y277 F278 K283 H284 C285 | Y277-M281 WeakPolarHBondContact O-CG 3.32Å; Y277-M281 PolarHBondContact O-N 3.09Å; F278-M281 PolarHBondContact O-N 3.44Å; M281-K283 PolarHBondContact O-N 3.5Å; M281-H284 WeakPolarHBondContact O-CB 3.49Å; M281-H284 PolarHBondContact O-N 3.04Å; M281-C285 PolarHBondContact O-N 2.98Å |
| 282 | K | 80.5 | Confident | 74.3 | Confident | 142 Ų | 142 | 124.7 Ų | 124.7 | 62% | 0.617 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.8 | -46.2 | 179.3 | -176.4 | 128.3 | -177.2 | 164.1 | 0 | 112.3 | F278 T279 H284 C285 D286 | F278-K282 PolarHBondContact O-N 3.18Å; T279-K282 PolarHBondContact O-N 3.33Å; K282-H284 PolarHBondContact O-N 3.32Å; K282-C285 PolarHBondContact O-N 3.17Å; K282-D286 PolarHBondContact O-N 3.5Å |
| 283 | K | 76.1 | Confident | 72.9 | Confident | 144 Ų | 144 | 122.7 Ų | 122.7 | 63% | 0.626 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -58 | -31.8 | 176.3 | -70.8 | -174.9 | 178.8 | -174.1 | 0 | 113.2 | T279 M281 N287 | T279-K283 PolarHBondContact O-N 3Å; M281-K283 PolarHBondContact O-N 3.5Å; K283-N287 PolarHBondContact O-N 3.19Å |
| 284 | H | 65 | Low | 71.5 | Confident | 138 Ų | 138 | 123.2 Ų | 123.2 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.4 | -27.9 | 179 | -126.6 | -52.7 | 0 | 0 | 0 | 113.2 | M281 K282 | M281-H284 WeakPolarHBondContact O-CB 3.49Å; M281-H284 PolarHBondContact O-N 3.04Å; K282-H284 PolarHBondContact O-N 3.32Å |
| 285 | C | 57.5 | Low | 70.2 | Confident | 92 Ų | 92 | 123.5 Ų | 123.5 | 62% | 0.622 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.5 | -38.8 | 175 | -72.4 | 0 | 0 | 0 | 0 | 112 | M281 K282 N287 K288 | M281-C285 PolarHBondContact O-N 2.98Å; K282-C285 PolarHBondContact O-N 3.17Å; C285-N287 PolarHBondContact O-N 3.3Å; C285-K288 PolarHBondContact O-N 3.17Å |
| 286 | D | 59.3 | Low | 68.6 | Low | 118 Ų | 118 | 126.3 Ų | 126.3 | 63% | 0.631 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.9 | -23.3 | -178.3 | -61.8 | -32.3 | 0 | 0 | 0 | 112.5 | K282 K288 | K282-D286 PolarHBondContact O-N 3.5Å; D286-K288 VanDerWaalsContact C-N 3.34Å |
| 287 | N | 58.9 | Low | 67.1 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -4.6 | 175.1 | -70.8 | -8.1 | 0 | 0 | 0 | 114 | K283 C285 E289 | K283-N287 PolarHBondContact O-N 3.19Å; C285-N287 PolarHBondContact O-N 3.3Å; N287-E289 PolarHBondContact O-N 3.34Å |
| 288 | K | 58.2 | Low | 65.9 | Low | 165 Ų | 165 | 129.9 Ų | 129.9 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -86.8 | 100.7 | 175.1 | -71.7 | -161.7 | 177.1 | -175.1 | 0 | 109.2 | C285 D286 A290 | C285-K288 PolarHBondContact O-N 3.17Å; D286-K288 VanDerWaalsContact C-N 3.34Å; K288-A290 PolarHBondContact O-N 3.43Å |
| 289 | E | 55.5 | Low | 64.8 | Low | 181 Ų | 181 | 129.4 Ų | 129.4 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -25.9 | 127.2 | 162.5 | -107.7 | 173.8 | 159 | 0 | 0 | 112.4 | N287 L291 | N287-E289 PolarHBondContact O-N 3.34Å; E289-L291 PolarHBondContact O-N 2.94Å | ||
| 290 | A | 56.3 | Low | 63.7 | Low | 102 Ų | 102 | 131.6 Ų | 131.6 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -54.6 | 104.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | K288 | K288-A290 PolarHBondContact O-N 3.43Š| ||
| 291 | L | 59.5 | Low | 61.9 | Low | 163 Ų | 163 | 140.1 Ų | 140.1 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | trans | -72.6 | 129.8 | 171.3 | -72.9 | 169.5 | 0 | 0 | 0 | 109.2 | E289 S293 | E289-L291 PolarHBondContact O-N 2.94Å; L291-S293 PolarHBondContact O-N 3.42Å | ||
| 292 | P | 55.5 | Low | 60.9 | Low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -64.9 | 131.2 | -177.7 | 23.5 | -31.4 | 0 | 0 | 0 | 111.6 | T294 | P292-T294 PolarHBondContact O-N 3.18Š| ||
| 293 | S | 59.9 | Low | 59.9 | Low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -63.8 | 108.2 | -177.7 | 172.5 | 0 | 0 | 0 | 0 | 112 | L291 S295 | L291-S293 PolarHBondContact O-N 3.42Å; S293-S295 PolarHBondContact O-N 3.29Å | ||
| 294 | T | 59.8 | Low | 59 | Low | 142 Ų | 142 | 142.8 Ų | 142.8 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | trans | -87 | 89 | 175.4 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | P292 | P292-T294 PolarHBondContact O-N 3.18Š| ||
| 295 | S | 60.6 | Low | 58.7 | Low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -124.7 | 80.3 | 167.2 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | S293 R297 | S293-S295 PolarHBondContact O-N 3.29Å; S295-R297 PolarHBondContact O-N 3.29Å | ||
| 296 | N | 57.3 | Low | 58.8 | Low | 157 Ų | 157 | 146.1 Ų | 146.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -93.1 | 90.3 | 167.2 | -82.6 | -3.4 | 0 | 0 | 0 | 108.7 | T298 | N296-T298 PolarHBondContact O-N 3.48Š| ||
| 297 | R | 57.9 | Low | 58.8 | Low | 237 Ų | 237 | 147.9 Ų | 147.9 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | trans | -77.8 | 87.3 | 169.5 | -173.9 | -178.5 | -172.1 | -178.7 | 2.5 | 108.9 | S295 S299 | S295-R297 PolarHBondContact O-N 3.29Å; R297-S299 PolarHBondContact O-N 3.32Å | ||
| 298 | T | 63.3 | Low | 58.8 | Low | 116 Ų | 116 | 148.5 Ų | 148.5 | 71% | 0.712 | 82% | 0.822 | S | S | * | * | trans | -88.4 | 95.9 | 175.2 | -44.5 | 0 | 0 | 0 | 0 | 109.3 | N296 V300 | N296-T298 PolarHBondContact O-N 3.48Å; T298-V300 HydrophobicContact CG2-CG2 3.92Å; T298-V300 PolarHBondContact O-N 3.18Å | ||
| 299 | S | 63.4 | Low | 58.8 | Low | 104 Ų | 104 | 147.4 Ų | 147.4 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -78.4 | 95.8 | 170 | 165.5 | 0 | 0 | 0 | 0 | 108.9 | R297 | R297-S299 PolarHBondContact O-N 3.32Š| ||
| 300 | V | 66 | Low | 59 | Low | 122 Ų | 122 | 144.8 Ų | 144.8 | 74% | 0.739 | 83% | 0.828 | S | S | * | * | trans | -89.3 | 110.6 | 170 | -175.7 | 0 | 0 | 0 | 0 | 108.1 | T298 | T298-V300 HydrophobicContact CG2-CG2 3.92Å; T298-V300 PolarHBondContact O-N 3.18Å | ||
| 301 | R | 48.5 | Very low | 59.3 | Low | 227 Ų | 227 | 148.3 Ų | 148.3 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | trans | -112.8 | 115 | 173.6 | -173.3 | -175.6 | -170.5 | -158.7 | 3.1 | 107.9 | ||||
| 302 | P | 59.7 | Low | 59.3 | Low | 185 Ų | 185 | 147 Ų | 147 | 100% | 1.201 | 83% | 0.825 | S | S | * | * | trans | -86 | 0 | 148.8 | -0.6 | 20.7 | 0 | 0 | 0 | 110.1 |
Retrieved 302 of 302 residues in 87.2 ms
(Link to these results)