| 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 | 47.5 | Very low | 58.7 | Low | 229 Ų | 229 | 129.5 Ų | 129.5 | 100% | 1.128 | 62% | 0.622 | S | S | * | * | 0 | 139.2 | 0 | -69.6 | -179.4 | 136.2 | 0 | 0 | 108.4 | L3 | M1-L3 PolarHBondContact O-N 3.23Š| |||
| 2 | P | 59.4 | Low | 57.7 | Low | 99 Ų | 99 | 130.5 Ų | 130.5 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | trans | -68.9 | 116.5 | 173.3 | 27.1 | -29.7 | 0 | 0 | 0 | 108.9 | F4 S5 | P2-F4 PolarHBondContact O-N 3.19Å; P2-S5 PolarHBondContact O-N 2.89Å | ||
| 3 | L | 57.1 | Low | 57.1 | Low | 70 Ų | 70 | 130 Ų | 130 | 37% | 0.366 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.7 | -12.9 | -177.2 | -77.3 | 150.2 | 0 | 0 | 0 | 114.1 | M1 W6 E78 | M1-L3 PolarHBondContact O-N 3.23Å; L3-W6 PolarHBondContact O-NE1 2.76Å; L3-E78 HydrophobicContact CD1-CB 4.18Å; L3-E78 HydrophobicContact CD1-CG 3.54Å; L3-E78 HydrophobicContact CD2-CG 4.47Å; L3-E78 VanDerWaalsContact CD2-OE1 3.26Å; L3-E78 WeakPolarHBondContact CD2-OE1 3.19Å |
| 4 | F | 63.6 | Low | 56.3 | Low | 46 Ų | 46 | 128.3 Ų | 128.3 | 20% | 0.202 | 63% | 0.63 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -128 | 29.6 | -172.7 | -52.7 | -70.6 | 0 | 0 | 0 | 113.2 | P2 W6 V7 L82 L85 | P2-F4 PolarHBondContact O-N 3.19Å; F4-W6 PolarHBondContact O-N 3.3Å; F4-V7 HydrophobicContact CB-CB 4.26Å; F4-V7 HydrophobicContact CB-CG2 4.24Å; F4-V7 HydrophobicContact CD1-CG2 4.46Å; F4-V7 PolarHBondContact O-N 3.14Å; F4-L82 HydrophobicContact CE1-CD2 4Å; F4-L82 HydrophobicContact CE2-CD2 3.98Å; F4-L82 HydrophobicContact CE2-CG 4.27Å; F4-L82 HydrophobicContact CZ-CD1 4.33Å; F4-L82 HydrophobicContact CZ-CD2 3.44Å; F4-L82 VanDerWaalsContact CZ-CD2 3.44Å; F4-L82 HydrophobicContact CZ-CG 3.82Å; F4-L85 HydrophobicContact CD2-CD1 4.09Å; F4-L85 HydrophobicContact CE2-CD1 4.35Å |
| 5 | S | 60.5 | Low | 55.8 | Low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -24.1 | 175.7 | 50.1 | 0 | 0 | 0 | 0 | 114.1 | P2 | P2-S5 PolarHBondContact O-N 2.89Š|
| 6 | W | 66.6 | Low | 55.3 | Low | 206 Ų | 206 | 136.2 Ų | 136.2 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -22.7 | 173.2 | 64.1 | -61.7 | 0 | 0 | 0 | 113.4 | L3 F4 K8 | L3-W6 PolarHBondContact O-NE1 2.76Å; F4-W6 PolarHBondContact O-N 3.3Å; W6-K8 PolarHBondContact O-N 2.97Å |
| 7 | V | 61.6 | Low | 55.3 | Low | 51 Ų | 51 | 138.2 Ų | 138.2 | 31% | 0.309 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -87.5 | 106.5 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | F4 W9 | F4-V7 HydrophobicContact CB-CB 4.26Å; F4-V7 HydrophobicContact CB-CG2 4.24Å; F4-V7 HydrophobicContact CD1-CG2 4.46Å; F4-V7 PolarHBondContact O-N 3.14Å; V7-W9 HydrophobicContact CG1-CD2 3.86Å; V7-W9 HydrophobicContact CG1-CG 4.06Å; V7-W9 HydrophobicContact CG1-CZ2 3.98Å; V7-W9 VanDerWaalsContact O-CD1 3.25Å; V7-W9 PolarHBondContact O-N 3.4Å |
| 8 | K | 62.5 | Low | 55.5 | Low | 202 Ų | 202 | 135.2 Ų | 135.2 | 88% | 0.878 | 65% | 0.65 | S | S | * | * | trans | -69.1 | 79.2 | 165.8 | -76.7 | -178.6 | 177.1 | 174.2 | 0 | 108.4 | W6 | W6-K8 PolarHBondContact O-N 2.97Š| ||
| 9 | W | 58.6 | Low | 56 | Low | 105 Ų | 105 | 138.7 Ų | 138.7 | 40% | 0.398 | 66% | 0.656 | S | S | . | * | trans | -55 | 137.5 | 168.5 | -67.2 | 97.3 | 0 | 0 | 0 | 108.2 | V7 R11 L85 | V7-W9 HydrophobicContact CG1-CD2 3.86Å; V7-W9 HydrophobicContact CG1-CG 4.06Å; V7-W9 HydrophobicContact CG1-CZ2 3.98Å; V7-W9 VanDerWaalsContact O-CD1 3.25Å; V7-W9 PolarHBondContact O-N 3.4Å; W9-R11 VanDerWaalsContact C-N 3.34Å; W9-R11 PolarHBondContact O-N 3.48Å; W9-L85 HydrophobicContact CZ2-CD1 4.13Å | ||
| 10 | P | 55 | Low | 56.7 | Low | 90 Ų | 90 | 135.6 Ų | 135.6 | 58% | 0.584 | 64% | 0.638 | S | S | * | * | trans | -56.2 | 103.3 | 174.9 | 21.5 | -30 | 0 | 0 | 0 | 108.2 | N12 Y13 | P10-N12 PolarHBondContact O-N 3.03Å; P10-N12 VanDerWaalsContact O-N 3.09Å; P10-Y13 HydrophobicContact CG-CE2 4.34Å | ||
| 11 | R | 53.6 | Low | 57.6 | Low | 227 Ų | 227 | 134 Ų | 134 | 86% | 0.857 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -66 | 109.7 | 172.3 | -178.4 | -179 | -78.6 | -134.6 | 0.2 | 104.7 | W9 | W9-R11 VanDerWaalsContact C-N 3.34Å; W9-R11 PolarHBondContact O-N 3.48Å |
| 12 | N | 46.7 | Very low | 59 | Low | 142 Ų | 142 | 125.1 Ų | 125.1 | 76% | 0.759 | 62% | 0.615 | S | S | * | * | trans | 127 | 69.7 | 170.4 | -60.5 | -22 | 0 | 0 | 0 | 112.6 | P10 | P10-N12 PolarHBondContact O-N 3.03Å; P10-N12 VanDerWaalsContact O-N 3.09Å | ||
| 13 | Y | 49.8 | Very low | 60.2 | Low | 124 Ų | 124 | 121 Ų | 121 | 49% | 0.486 | 59% | 0.589 | S | S | . | * | trans | -116.6 | 109.3 | 138 | -69.1 | -77.9 | 0 | 0 | 0 | 105.8 | P10 Y15 Q93 | P10-Y13 HydrophobicContact CG-CE2 4.34Å; Y13-Y15 PolarHBondContact O-N 2.93Å; Y13-Q93 PolarHBondContact OH-NE2 2.9Å; Y13-Q93 PolarHBondContact OH-OE1 3.23Å | ||
| 14 | S | 46.3 | Very low | 61.6 | Low | 106 Ų | 106 | 123.4 Ų | 123.4 | 74% | 0.741 | 60% | 0.598 | S | S | * | * | trans | -39.5 | 129.8 | 170.7 | 172.8 | 0 | 0 | 0 | 0 | 109.3 | K16 | S14-K16 PolarHBondContact O-N 3.18Š| ||
| 15 | Y | 47.5 | Very low | 62.9 | Low | 217 Ų | 217 | 126 Ų | 126 | 85% | 0.851 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -61.4 | 57.6 | -174.3 | -153.6 | -93.5 | 0 | 0 | 0 | 112.6 | Y13 | Y13-Y15 PolarHBondContact O-N 2.93Š|
| 16 | K | 48.9 | Very low | 64.3 | Low | 166 Ų | 166 | 121.6 Ų | 121.6 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | trans | -95.1 | 106.4 | 158.8 | -63.4 | -161.6 | 178.2 | -173.6 | 0 | 104.9 | S14 T18 | S14-K16 PolarHBondContact O-N 3.18Å; K16-T18 VanDerWaalsContact CB-OG1 3.31Å; K16-T18 WeakPolarHBondContact CB-OG1 3.25Å; K16-T18 PolarHBondContact O-N 2.86Å; K16-T18 PolarHBondContact O-OG1 2.97Å | ||
| 17 | Q | 55 | Low | 65.5 | Low | 171 Ų | 171 | 112.7 Ų | 112.7 | 80% | 0.799 | 56% | 0.555 | S | S | * | * | trans | -68.3 | 60.7 | 172.5 | -168.8 | 166.4 | -7 | 0 | 0 | 109.1 | ||||
| 18 | T | 58.7 | Low | 67 | Low | 83 Ų | 83 | 116.3 Ų | 116.3 | 51% | 0.509 | 57% | 0.566 | S | S | . | * | trans | -99.7 | 103.3 | -179.1 | -36 | 0 | 0 | 0 | 0 | 105.3 | K16 Y20 | K16-T18 VanDerWaalsContact CB-OG1 3.31Å; K16-T18 WeakPolarHBondContact CB-OG1 3.25Å; K16-T18 PolarHBondContact O-N 2.86Å; K16-T18 PolarHBondContact O-OG1 2.97Å; T18-Y20 PolarHBondContact O-N 3.49Å; T18-Y20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | R | 64.9 | Low | 68.5 | Low | 203 Ų | 203 | 109.2 Ų | 109.2 | 77% | 0.766 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 116.4 | 166.1 | -70.6 | -173.8 | -174.4 | 178.9 | 2.5 | 106.8 | ||
| 20 | Y | 69.7 | Low | 70.1 | Confident | 76 Ų | 76 | 105 Ų | 105 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 148.3 | 176.1 | -64.2 | -77.2 | 0 | 0 | 0 | 109.9 | T18 G22 S23 Q90 | T18-Y20 PolarHBondContact O-N 3.49Å; T18-Y20 VanDerWaalsContact O-N 3.08Å; Y20-G22 PolarHBondContact O-N 3.35Å; Y20-S23 WeakPolarHBondContact O-CB 3.28Å; Y20-S23 PolarHBondContact O-N 3.08Å; Y20-S23 PolarHBondContact O-OG 2.83Å; Y20-Q90 HydrophobicContact CD1-CG 4.26Å; Y20-Q90 HydrophobicContact CD2-CG 3.96Å; Y20-Q90 HydrophobicContact CE1-CG 3.93Å; Y20-Q90 HydrophobicContact CE2-CG 3.62Å; Y20-Q90 HydrophobicContact CG-CG 4.27Å; Y20-Q90 PolarHBondContact OH-NE2 3.24Å |
| 21 | A | 74.9 | Confident | 71.9 | Confident | 102 Ų | 102 | 101.3 Ų | 101.3 | 84% | 0.843 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 126.7 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 22 | G | 78.5 | Confident | 73.8 | Confident | 42 Ų | 42 | 99.3 Ų | 99.3 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 2.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y20 E24 V25 V26 | Y20-G22 PolarHBondContact O-N 3.35Å; G22-E24 PolarHBondContact O-N 3.33Å; G22-V25 PolarHBondContact O-N 3.35Å; G22-V25 VanDerWaalsContact O-N 3.15Å; G22-V26 PolarHBondContact O-N 3.21Å |
| 23 | S | 83.7 | Confident | 76 | Confident | 12 Ų | 12 | 95.6 Ų | 95.6 | 8% | 0.084 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -59.6 | -29.5 | 177.9 | 69.7 | 0 | 0 | 0 | 0 | 113.1 | Y20 V26 T27 S87 | Y20-S23 WeakPolarHBondContact O-CB 3.28Å; Y20-S23 PolarHBondContact O-N 3.08Å; Y20-S23 PolarHBondContact O-OG 2.83Å; S23-V26 PolarHBondContact O-N 3.46Å; S23-T27 WeakPolarHBondContact O-CB 3.45Å; S23-T27 PolarHBondContact O-N 3.11Å; S23-T27 PolarHBondContact O-OG1 3.31Å; S23-T27 VanDerWaalsContact O-OG1 3.06Å; S23-S87 WeakPolarHBondContact CB-O 3.39Å |
| 24 | E | 87.6 | Confident | 78 | Confident | 121 Ų | 121 | 92.7 Ų | 92.7 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 177.9 | -174 | -178.9 | 172.3 | 0 | 0 | 112.2 | G22 V26 T27 K28 | G22-E24 PolarHBondContact O-N 3.33Å; E24-V26 VanDerWaalsContact C-N 3.35Å; E24-T27 PolarHBondContact O-N 3.41Å; E24-K28 HydrophobicContact CG-CD 4.26Å; E24-K28 WeakPolarHBondContact O-CB 3.45Å; E24-K28 VanDerWaalsContact O-CG 3.32Å; E24-K28 WeakPolarHBondContact O-CG 3.36Å; E24-K28 PolarHBondContact O-N 3.02Å; E24-K28 WeakPolarHBondContact OE1-CE 3.46Å; E24-K28 IonicContact OE1-NZ 3.83Å; E24-K28 PolarHBondContact OE1-NZ 2.97Å |
| 25 | V | 89.8 | Confident | 80.1 | Confident | 100 Ų | 100 | 92.9 Ų | 92.9 | 61% | 0.606 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.3 | -44.1 | 177 | 179.8 | 0 | 0 | 0 | 0 | 109.4 | G22 T27 K28 T29 | G22-V25 PolarHBondContact O-N 3.35Å; G22-V25 VanDerWaalsContact O-N 3.15Å; V25-T27 PolarHBondContact O-N 2.99Å; V25-K28 PolarHBondContact O-N 3.36Å; V25-T29 WeakPolarHBondContact O-CB 3.41Å; V25-T29 PolarHBondContact O-N 3.17Å; V25-T29 PolarHBondContact O-OG1 2.98Å |
| 26 | V | 90.3 | Very high | 82.2 | Confident | 8 Ų | 8 | 89.2 Ų | 89.2 | 5% | 0.048 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -58.5 | -50.2 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 110.8 | G22 S23 E24 K28 T29 L30 V89 P91 A94 | G22-V26 PolarHBondContact O-N 3.21Å; S23-V26 PolarHBondContact O-N 3.46Å; E24-V26 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 2.89Å; V26-T29 PolarHBondContact O-N 3.12Å; V26-L30 HydrophobicContact CG1-CD1 3.76Å; V26-L30 HydrophobicContact CG1-CG 4.18Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 VanDerWaalsContact O-CG 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.34Å; V26-L30 PolarHBondContact O-N 3.46Å; V26-V89 HydrophobicContact CG1-CB 3.91Å; V26-V89 HydrophobicContact CG1-CG1 3.97Å; V26-P91 HydrophobicContact CG2-CB 3.84Å; V26-P91 HydrophobicContact CG2-CG 3.86Å; V26-A94 HydrophobicContact CG1-CB 4Å; V26-A94 HydrophobicContact CG2-CB 4.37Å |
| 27 | T | 91.5 | Very high | 84.1 | Confident | 18 Ų | 18 | 86.1 Ų | 86.1 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 178.2 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | S23 E24 V25 T29 L31 E83 C86 S87 | S23-T27 WeakPolarHBondContact O-CB 3.45Å; S23-T27 PolarHBondContact O-N 3.11Å; S23-T27 PolarHBondContact O-OG1 3.31Å; S23-T27 VanDerWaalsContact O-OG1 3.06Å; E24-T27 PolarHBondContact O-N 3.41Å; V25-T27 PolarHBondContact O-N 2.99Å; T27-T29 VanDerWaalsContact C-N 3.35Å; T27-T29 PolarHBondContact O-N 3.44Å; T27-L31 HydrophobicContact CG2-CD1 3.59Å; T27-L31 HydrophobicContact CG2-CG 4.34Å; T27-L31 WeakPolarHBondContact O-CB 3.48Å; T27-L31 WeakPolarHBondContact O-CD1 3.46Å; T27-L31 WeakPolarHBondContact O-CG 3.5Å; T27-L31 PolarHBondContact O-N 3.19Å; T27-E83 HydrophobicContact CG2-CB 4.31Å; T27-E83 HydrophobicContact CG2-CG 4.17Å; T27-C86 HydrophobicContact CG2-CB 3.91Å; T27-S87 WeakPolarHBondContact OG1-CA 3.43Å; T27-S87 PolarHBondContact OG1-N 2.84Å; T27-S87 VanDerWaalsContact OG1-N 3.13Å |
| 28 | K | 92.4 | Very high | 85.8 | Confident | 128 Ų | 128 | 80.4 Ų | 80.4 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 178.6 | -74.4 | 177.4 | -176.7 | 173.3 | 0 | 111.6 | E24 V25 V26 R32 | E24-K28 HydrophobicContact CG-CD 4.26Å; E24-K28 WeakPolarHBondContact O-CB 3.45Å; E24-K28 VanDerWaalsContact O-CG 3.32Å; E24-K28 WeakPolarHBondContact O-CG 3.36Å; E24-K28 PolarHBondContact O-N 3.02Å; E24-K28 WeakPolarHBondContact OE1-CE 3.46Å; E24-K28 IonicContact OE1-NZ 3.83Å; E24-K28 PolarHBondContact OE1-NZ 2.97Å; V25-K28 PolarHBondContact O-N 3.36Å; V26-K28 PolarHBondContact O-N 2.89Å; K28-R32 VanDerWaalsContact O-CB 3.25Å; K28-R32 WeakPolarHBondContact O-CB 3.29Å; K28-R32 PolarHBondContact O-N 3.33Å |
| 29 | T | 94 | Very high | 87.2 | Confident | 53 Ų | 53 | 83 Ų | 83 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.2 | -52.5 | 179.1 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | V25 V26 T27 L31 R32 E33 L98 | V25-T29 WeakPolarHBondContact O-CB 3.41Å; V25-T29 PolarHBondContact O-N 3.17Å; V25-T29 PolarHBondContact O-OG1 2.98Å; V26-T29 PolarHBondContact O-N 3.12Å; T27-T29 VanDerWaalsContact C-N 3.35Å; T27-T29 PolarHBondContact O-N 3.44Å; T29-L31 VanDerWaalsContact C-N 3.32Å; T29-L31 PolarHBondContact O-N 3.46Å; T29-R32 WeakPolarHBondContact O-CB 3.46Å; T29-R32 PolarHBondContact O-N 3.23Å; T29-R32 VanDerWaalsContact O-N 3.09Å; T29-E33 HydrophobicContact CG2-CG 4.43Å; T29-E33 WeakPolarHBondContact O-CG 3.42Å; T29-E33 PolarHBondContact O-N 3.16Å; T29-L98 HydrophobicContact CG2-CD1 4.17Å |
| 30 | L | 92.8 | Very high | 88.4 | Confident | 16 Ų | 16 | 75.6 Ų | 75.6 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | -179 | -67.9 | 179.3 | 0 | 0 | 0 | 112.1 | V26 E33 L34 C86 V89 V97 L98 | V26-L30 HydrophobicContact CG1-CD1 3.76Å; V26-L30 HydrophobicContact CG1-CG 4.18Å; V26-L30 WeakPolarHBondContact O-CB 3.45Å; V26-L30 VanDerWaalsContact O-CG 3.31Å; V26-L30 WeakPolarHBondContact O-CG 3.34Å; V26-L30 PolarHBondContact O-N 3.46Å; L30-E33 PolarHBondContact O-N 2.91Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 PolarHBondContact O-N 3.47Å; L30-C86 HydrophobicContact CB-CB 4.47Å; L30-C86 HydrophobicContact CD1-CB 4Å; L30-V89 HydrophobicContact CD1-CB 4.36Å; L30-V89 HydrophobicContact CD1-CG1 4.48Å; L30-V89 HydrophobicContact CD1-CG2 4.12Å; L30-V97 HydrophobicContact CD1-CG1 4.38Å; L30-V97 HydrophobicContact CD2-CB 4.2Å; L30-V97 HydrophobicContact CD2-CG1 3.84Å; L30-L98 HydrophobicContact CD2-CD1 4.49Å; L30-L98 HydrophobicContact CD2-CD2 3.6Å; L30-L98 HydrophobicContact CD2-CG 3.76Å |
| 31 | L | 92.5 | Very high | 89.3 | Confident | 13 Ų | 13 | 80 Ų | 80 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.6 | -34 | 177.2 | -68.7 | 171.1 | 0 | 0 | 0 | 112.7 | T27 T29 K35 L82 E83 | T27-L31 HydrophobicContact CG2-CD1 3.59Å; T27-L31 HydrophobicContact CG2-CG 4.34Å; T27-L31 WeakPolarHBondContact O-CB 3.48Å; T27-L31 WeakPolarHBondContact O-CD1 3.46Å; T27-L31 WeakPolarHBondContact O-CG 3.5Å; T27-L31 PolarHBondContact O-N 3.19Å; T29-L31 VanDerWaalsContact C-N 3.32Å; T29-L31 PolarHBondContact O-N 3.46Å; L31-K35 WeakPolarHBondContact O-CB 3.3Å; L31-K35 VanDerWaalsContact O-CG 3.27Å; L31-K35 WeakPolarHBondContact O-CG 3.32Å; L31-K35 PolarHBondContact O-N 2.95Å; L31-L82 HydrophobicContact CD2-CB 3.74Å; L31-L82 HydrophobicContact CD2-CD1 4.44Å; L31-E83 HydrophobicContact CD1-CG 3.46Å; L31-E83 VanDerWaalsContact CD1-CG 3.46Å |
| 32 | R | 93.5 | Very high | 89.9 | Confident | 184 Ų | 184 | 76.1 Ų | 76.1 | 69% | 0.694 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.7 | -49.5 | 175.2 | -178.7 | -173.3 | -176.1 | -167.9 | 0.5 | 110.7 | K28 T29 L34 K35 W36 | K28-R32 VanDerWaalsContact O-CB 3.25Å; K28-R32 WeakPolarHBondContact O-CB 3.29Å; K28-R32 PolarHBondContact O-N 3.33Å; T29-R32 WeakPolarHBondContact O-CB 3.46Å; T29-R32 PolarHBondContact O-N 3.23Å; T29-R32 VanDerWaalsContact O-N 3.09Å; R32-L34 VanDerWaalsContact C-N 3.34Å; R32-L34 PolarHBondContact O-N 3.25Å; R32-K35 PolarHBondContact O-N 2.93Å; R32-W36 PolarHBondContact O-N 3Å |
| 33 | E | 93.9 | Very high | 90.4 | Very high | 65 Ų | 65 | 81.3 Ų | 81.3 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 179.2 | -64.1 | -54.1 | 148.1 | 0 | 0 | 110.9 | T29 L30 K35 W36 H37 L98 | T29-E33 HydrophobicContact CG2-CG 4.43Å; T29-E33 WeakPolarHBondContact O-CG 3.42Å; T29-E33 PolarHBondContact O-N 3.16Å; L30-E33 PolarHBondContact O-N 2.91Å; E33-K35 PolarHBondContact O-N 2.75Å; E33-W36 WeakPolarHBondContact O-CB 3.49Å; E33-W36 PolarHBondContact O-N 2.89Å; E33-W36 VanDerWaalsContact O-N 3.14Å; E33-H37 PolarHBondContact O-CD2 3.31Å; E33-H37 PolarHBondContact O-N 3.46Å; E33-L98 HydrophobicContact CB-CD2 3.75Å; E33-L98 HydrophobicContact CG-CD2 3.6Å |
| 34 | L | 91.2 | Very high | 90.7 | Very high | 63 Ų | 63 | 85.4 Ų | 85.4 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.2 | -47.5 | 175.1 | 178.4 | 63 | 0 | 0 | 0 | 112.3 | L30 R32 W36 H37 L38 I74 L82 | L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 PolarHBondContact O-N 3.47Å; R32-L34 VanDerWaalsContact C-N 3.34Å; R32-L34 PolarHBondContact O-N 3.25Å; L34-W36 VanDerWaalsContact C-N 3.28Å; L34-W36 PolarHBondContact O-N 3.48Å; L34-H37 PolarHBondContact O-N 3.45Å; L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 3.45Å; L34-I74 HydrophobicContact CD2-CD1 4.17Å; L34-L82 HydrophobicContact CD2-CD1 3.72Å; L34-L82 HydrophobicContact CD2-CD2 4.28Å |
| 35 | K | 90.4 | Very high | 90.7 | Very high | 110 Ų | 110 | 83.5 Ų | 83.5 | 48% | 0.478 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 177.8 | -74.9 | 174.5 | -175.7 | -178.4 | 0 | 111.7 | L31 R32 E33 K39 I74 | L31-K35 WeakPolarHBondContact O-CB 3.3Å; L31-K35 VanDerWaalsContact O-CG 3.27Å; L31-K35 WeakPolarHBondContact O-CG 3.32Å; L31-K35 PolarHBondContact O-N 2.95Å; R32-K35 PolarHBondContact O-N 2.93Å; E33-K35 PolarHBondContact O-N 2.75Å; K35-K39 PolarHBondContact O-N 3.49Å; K35-K39 VanDerWaalsContact O-N 3.16Å; K35-I74 HydrophobicContact CG-CD1 4.4Å |
| 36 | W | 91.3 | Very high | 90.5 | Very high | 139 Ų | 139 | 80.5 Ų | 80.5 | 53% | 0.527 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 175.1 | -174.5 | 89.3 | 0 | 0 | 0 | 111.3 | R32 E33 L34 L38 K39 E40 | R32-W36 PolarHBondContact O-N 3Å; E33-W36 WeakPolarHBondContact O-CB 3.49Å; E33-W36 PolarHBondContact O-N 2.89Å; E33-W36 VanDerWaalsContact O-N 3.14Å; L34-W36 VanDerWaalsContact C-N 3.28Å; L34-W36 PolarHBondContact O-N 3.48Å; W36-L38 VanDerWaalsContact C-N 3.33Å; W36-L38 PolarHBondContact O-N 2.93Å; W36-K39 PolarHBondContact O-N 2.99Å; W36-K39 VanDerWaalsContact O-N 3.14Å; W36-E40 HydrophobicContact CE3-CB 4.44Å; W36-E40 HydrophobicContact CH2-CB 4.12Å; W36-E40 HydrophobicContact CH2-CG 3.92Å; W36-E40 HydrophobicContact CZ2-CB 4.36Å; W36-E40 HydrophobicContact CZ2-CG 4.26Å; W36-E40 HydrophobicContact CZ3-CB 4.17Å; W36-E40 HydrophobicContact CZ3-CG 4.36Å; W36-E40 PolarHBondContact O-N 3.3Å |
| 37 | H | 90.4 | Very high | 90.3 | Very high | 101 Ų | 101 | 84.4 Ų | 84.4 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 177.4 | -77.7 | -64.2 | 0 | 0 | 0 | 113.3 | E33 L34 K39 E40 R41 | E33-H37 PolarHBondContact O-CD2 3.31Å; E33-H37 PolarHBondContact O-N 3.46Å; L34-H37 PolarHBondContact O-N 3.45Å; H37-K39 VanDerWaalsContact C-N 3.35Å; H37-E40 PolarHBondContact O-N 3.27Å; H37-R41 VanDerWaalsContact O-CB 3.25Å; H37-R41 WeakPolarHBondContact O-CB 3.44Å; H37-R41 PolarHBondContact O-N 2.75Å |
| 38 | L | 88.9 | Confident | 90.2 | Very high | 51 Ų | 51 | 88 Ų | 88 | 27% | 0.267 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 175.3 | -70.6 | 175.7 | 0 | 0 | 0 | 111.5 | L34 W36 R41 E42 I74 | L34-L38 WeakPolarHBondContact O-CG 3.41Å; L34-L38 PolarHBondContact O-N 3.45Å; W36-L38 VanDerWaalsContact C-N 3.33Å; W36-L38 PolarHBondContact O-N 2.93Å; L38-R41 PolarHBondContact O-N 3.08Å; L38-E42 WeakPolarHBondContact O-CB 3.25Å; L38-E42 PolarHBondContact O-N 3.38Å; L38-I74 HydrophobicContact CD1-CD1 3.86Å; L38-I74 HydrophobicContact CD1-CG1 3.85Å |
| 39 | K | 88.3 | Confident | 89.9 | Confident | 139 Ų | 139 | 85.7 Ų | 85.7 | 60% | 0.604 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 177.6 | -171.2 | -179 | -179.3 | -177.9 | 0 | 112 | K35 W36 H37 R41 E42 R43 | K35-K39 PolarHBondContact O-N 3.49Å; K35-K39 VanDerWaalsContact O-N 3.16Å; W36-K39 PolarHBondContact O-N 2.99Å; W36-K39 VanDerWaalsContact O-N 3.14Å; H37-K39 VanDerWaalsContact C-N 3.35Å; K39-R41 VanDerWaalsContact C-N 3.34Å; K39-E42 PolarHBondContact O-N 2.74Å; K39-R43 PolarHBondContact O-N 2.95Å |
| 40 | E | 90.6 | Very high | 89.5 | Confident | 47 Ų | 47 | 84 Ų | 84 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 179.1 | -166.3 | 60.2 | -157.2 | 0 | 0 | 111.2 | W36 H37 E42 R43 L44 | W36-E40 HydrophobicContact CE3-CB 4.44Å; W36-E40 HydrophobicContact CH2-CB 4.12Å; W36-E40 HydrophobicContact CH2-CG 3.92Å; W36-E40 HydrophobicContact CZ2-CB 4.36Å; W36-E40 HydrophobicContact CZ2-CG 4.26Å; W36-E40 HydrophobicContact CZ3-CB 4.17Å; W36-E40 HydrophobicContact CZ3-CG 4.36Å; W36-E40 PolarHBondContact O-N 3.3Å; H37-E40 PolarHBondContact O-N 3.27Å; E40-E42 PolarHBondContact O-N 2.99Å; E40-R43 WeakPolarHBondContact O-CB 3.42Å; E40-R43 PolarHBondContact O-N 3.33Å; E40-R43 IonicContact OE1-NH1 3.21Å; E40-R43 PolarHBondContact OE1-NH1 2.88Å; E40-R43 IonicContact OE2-NH1 3.8Å; E40-L44 WeakPolarHBondContact O-CG 3.44Å; E40-L44 PolarHBondContact O-N 2.99Å |
| 41 | R | 89.4 | Confident | 89.1 | Confident | 169 Ų | 169 | 88 Ų | 88 | 64% | 0.638 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 173.5 | -174 | 178.9 | -173.8 | 178.1 | 2.6 | 111.8 | H37 L38 K39 R43 L44 I45 | H37-R41 VanDerWaalsContact O-CB 3.25Å; H37-R41 WeakPolarHBondContact O-CB 3.44Å; H37-R41 PolarHBondContact O-N 2.75Å; L38-R41 PolarHBondContact O-N 3.08Å; K39-R41 VanDerWaalsContact C-N 3.34Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 3.42Å; R41-L44 PolarHBondContact O-N 3.27Å; R41-I45 HydrophobicContact CG-CD1 4.11Å; R41-I45 VanDerWaalsContact O-CG1 3.32Å; R41-I45 WeakPolarHBondContact O-CG1 3.25Å; R41-I45 PolarHBondContact O-N 3.38Å |
| 42 | E | 87.8 | Confident | 88.8 | Confident | 19 Ų | 19 | 92.3 Ų | 92.3 | 9% | 0.089 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 175.5 | -174 | 177.9 | 178.5 | 0 | 0 | 110.6 | L38 K39 E40 L44 I45 H46 S70 | L38-E42 WeakPolarHBondContact O-CB 3.25Å; L38-E42 PolarHBondContact O-N 3.38Å; K39-E42 PolarHBondContact O-N 2.74Å; E40-E42 PolarHBondContact O-N 2.99Å; E42-L44 PolarHBondContact O-N 3.14Å; E42-I45 PolarHBondContact O-N 3.14Å; E42-H46 PolarHBondContact O-N 3.27Å; E42-H46 VanDerWaalsContact O-N 3.08Å; E42-H46 PolarHBondContact O-ND1 2.95Å; E42-H46 IonicContact OE1-CE1 2.63Å; E42-S70 VanDerWaalsContact OE1-C 3.32Å; E42-S70 PolarHBondContact OE1-N 2.83Å; E42-S70 PolarHBondContact OE1-OG 3.49Å |
| 43 | R | 87.7 | Confident | 88.4 | Confident | 152 Ų | 152 | 88.4 Ų | 88.4 | 57% | 0.574 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.4 | -47.8 | 175.3 | -177.5 | -168.1 | 174.7 | -167.1 | 1.5 | 112.2 | K39 E40 R41 I45 H46 E47 | K39-R43 PolarHBondContact O-N 2.95Å; E40-R43 WeakPolarHBondContact O-CB 3.42Å; E40-R43 PolarHBondContact O-N 3.33Å; E40-R43 IonicContact OE1-NH1 3.21Å; E40-R43 PolarHBondContact OE1-NH1 2.88Å; E40-R43 IonicContact OE2-NH1 3.8Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 3.42Å; R43-I45 VanDerWaalsContact C-N 3.35Å; R43-I45 PolarHBondContact O-N 3.46Å; R43-H46 WeakPolarHBondContact O-CB 3.4Å; R43-H46 PolarHBondContact O-N 3.13Å; R43-E47 PolarHBondContact O-N 3.16Å |
| 44 | L | 90.1 | Very high | 88 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 51% | 0.513 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 179.4 | -71.8 | 172.7 | 0 | 0 | 0 | 112.4 | E40 R41 E42 H46 E47 I48 | E40-L44 WeakPolarHBondContact O-CG 3.44Å; E40-L44 PolarHBondContact O-N 2.99Å; R41-L44 PolarHBondContact O-N 3.27Å; E42-L44 PolarHBondContact O-N 3.14Å; L44-H46 VanDerWaalsContact C-N 3.3Å; L44-H46 PolarHBondContact O-N 3.37Å; L44-E47 WeakPolarHBondContact O-CB 3.42Å; L44-E47 PolarHBondContact O-N 2.87Å; L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.28Å |
| 45 | I | 88.1 | Confident | 87.7 | Confident | 80 Ų | 80 | 92.6 Ų | 92.6 | 41% | 0.41 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 175.2 | -70 | 165.8 | 0 | 0 | 0 | 110.2 | R41 E42 R43 E47 I48 E49 | R41-I45 HydrophobicContact CG-CD1 4.11Å; R41-I45 VanDerWaalsContact O-CG1 3.32Å; R41-I45 WeakPolarHBondContact O-CG1 3.25Å; R41-I45 PolarHBondContact O-N 3.38Å; E42-I45 PolarHBondContact O-N 3.14Å; R43-I45 VanDerWaalsContact C-N 3.35Å; R43-I45 PolarHBondContact O-N 3.46Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 3Å; I45-I48 PolarHBondContact O-N 3.49Å; I45-E49 WeakPolarHBondContact O-CG 3.14Å; I45-E49 PolarHBondContact O-N 3.44Å |
| 46 | H | 84.6 | Confident | 87.4 | Confident | 38 Ų | 38 | 95.4 Ų | 95.4 | 18% | 0.176 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.6 | -75.8 | 80.6 | 0 | 0 | 0 | 112.5 | E42 R43 L44 N50 | E42-H46 PolarHBondContact O-N 3.27Å; E42-H46 VanDerWaalsContact O-N 3.08Å; E42-H46 PolarHBondContact O-ND1 2.95Å; E42-H46 IonicContact OE1-CE1 2.63Å; R43-H46 WeakPolarHBondContact O-CB 3.4Å; R43-H46 PolarHBondContact O-N 3.13Å; L44-H46 VanDerWaalsContact C-N 3.3Å; L44-H46 PolarHBondContact O-N 3.37Å; H46-N50 WeakPolarHBondContact O-CB 3.32Å; H46-N50 PolarHBondContact O-N 3.25Å |
| 47 | E | 86.6 | Confident | 87.1 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 42% | 0.421 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 175.2 | -162.9 | 75.5 | -135.5 | 0 | 0 | 110.8 | R43 L44 I45 E49 N50 E51 | R43-E47 PolarHBondContact O-N 3.16Å; L44-E47 WeakPolarHBondContact O-CB 3.42Å; L44-E47 PolarHBondContact O-N 2.87Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-E47 PolarHBondContact O-N 3Å; E47-E49 PolarHBondContact O-N 3.41Å; E47-N50 WeakPolarHBondContact O-CB 3.41Å; E47-N50 PolarHBondContact O-N 2.86Å; E47-N50 VanDerWaalsContact O-N 3.12Å; E47-E51 PolarHBondContact O-N 3.04Å |
| 48 | I | 89.8 | Confident | 86.6 | Confident | 92 Ų | 92 | 91 Ų | 91 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 178.9 | -67.4 | 165.1 | 0 | 0 | 0 | 111 | L44 I45 N50 E51 Q52 | L44-I48 VanDerWaalsContact O-CG1 3.3Å; L44-I48 WeakPolarHBondContact O-CG1 3.47Å; L44-I48 PolarHBondContact O-N 3.28Å; I45-I48 PolarHBondContact O-N 3.49Å; I48-N50 VanDerWaalsContact C-N 3.27Å; I48-N50 PolarHBondContact O-N 3.23Å; I48-E51 PolarHBondContact O-N 2.99Å; I48-Q52 WeakPolarHBondContact O-CG 3.41Å; I48-Q52 PolarHBondContact O-N 3.02Å |
| 49 | E | 86.6 | Confident | 86.2 | Confident | 81 Ų | 81 | 92 Ų | 92 | 38% | 0.379 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 175.9 | -77 | -174 | 175.3 | 0 | 0 | 111.9 | I45 E47 Q52 K53 R65 | I45-E49 WeakPolarHBondContact O-CG 3.14Å; I45-E49 PolarHBondContact O-N 3.44Å; E47-E49 PolarHBondContact O-N 3.41Å; E49-Q52 PolarHBondContact O-N 3.36Å; E49-K53 WeakPolarHBondContact O-CG 3.34Å; E49-K53 PolarHBondContact O-N 2.89Å; E49-R65 IonicContact OE2-CZ 3.99Å; E49-R65 IonicContact OE2-NH1 3.8Å; E49-R65 IonicContact OE2-NH2 3.16Å; E49-R65 PolarHBondContact OE2-NH2 3.38Å; E49-R65 VanDerWaalsContact OE2-NH2 3.16Å |
| 50 | N | 84.3 | Confident | 85.7 | Confident | 18 Ų | 18 | 89 Ų | 89 | 10% | 0.096 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.1 | -50.8 | 179.2 | -174.4 | 59.9 | 0 | 0 | 0 | 111.1 | H46 E47 I48 Q52 K53 V54 N62 | H46-N50 WeakPolarHBondContact O-CB 3.32Å; H46-N50 PolarHBondContact O-N 3.25Å; E47-N50 WeakPolarHBondContact O-CB 3.41Å; E47-N50 PolarHBondContact O-N 2.86Å; E47-N50 VanDerWaalsContact O-N 3.12Å; I48-N50 VanDerWaalsContact C-N 3.27Å; I48-N50 PolarHBondContact O-N 3.23Å; N50-Q52 PolarHBondContact O-N 2.92Å; N50-K53 WeakPolarHBondContact O-CA 3.44Å; N50-K53 WeakPolarHBondContact O-CB 3.45Å; N50-K53 PolarHBondContact O-N 3.45Å; N50-V54 WeakPolarHBondContact O-CG2 3.27Å; N50-V54 PolarHBondContact O-N 3.32Å; N50-N62 VanDerWaalsContact ND2-CG 3.34Å; N50-N62 PolarHBondContact ND2-ND2 3.25Å; N50-N62 PolarHBondContact ND2-OD1 3.37Å; N50-N62 PolarHBondContact OD1-OD1 3.2Å |
| 51 | E | 85.9 | Confident | 84.7 | Confident | 98 Ų | 98 | 92.5 Ų | 92.5 | 46% | 0.458 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.6 | -41.2 | 175.9 | -72.8 | -172 | 177.9 | 0 | 0 | 112 | E47 I48 V54 K55 | E47-E51 PolarHBondContact O-N 3.04Å; I48-E51 PolarHBondContact O-N 2.99Å; E51-V54 PolarHBondContact O-N 3.5Å; E51-K55 WeakPolarHBondContact O-CB 3.2Å; E51-K55 VanDerWaalsContact O-CG 3.28Å; E51-K55 WeakPolarHBondContact O-CG 3.42Å; E51-K55 PolarHBondContact O-N 3.29Å |
| 52 | Q | 85.8 | Confident | 83.9 | Confident | 104 Ų | 104 | 86.8 Ų | 86.8 | 49% | 0.486 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 175.9 | -74.5 | -169.2 | 25.1 | 0 | 0 | 112.7 | I48 E49 N50 K56 | I48-Q52 WeakPolarHBondContact O-CG 3.41Å; I48-Q52 PolarHBondContact O-N 3.02Å; E49-Q52 PolarHBondContact O-N 3.36Å; N50-Q52 PolarHBondContact O-N 2.92Å; Q52-K56 VanDerWaalsContact O-CG 3.29Å; Q52-K56 WeakPolarHBondContact O-CG 3.34Å; Q52-K56 PolarHBondContact O-N 2.99Å; Q52-K56 VanDerWaalsContact O-N 3.11Å |
| 53 | K | 83.8 | Confident | 82.9 | Confident | 103 Ų | 103 | 95.7 Ų | 95.7 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 175.8 | -75.3 | 174.7 | -177.2 | -179.5 | 0 | 111.4 | E49 N50 K55 K56 T57 R65 | E49-K53 WeakPolarHBondContact O-CG 3.34Å; E49-K53 PolarHBondContact O-N 2.89Å; N50-K53 WeakPolarHBondContact O-CA 3.44Å; N50-K53 WeakPolarHBondContact O-CB 3.45Å; N50-K53 PolarHBondContact O-N 3.45Å; K53-K55 VanDerWaalsContact C-N 3.31Å; K53-K55 PolarHBondContact O-N 3.46Å; K53-K56 PolarHBondContact O-N 3.49Å; K53-K56 VanDerWaalsContact O-N 3.08Å; K53-T57 WeakPolarHBondContact O-CB 3.48Å; K53-T57 PolarHBondContact O-N 2.63Å; K53-T57 PolarHBondContact O-OG1 3.09Å; K53-R65 VanDerWaalsContact NZ-NH2 3.14Å |
| 54 | V | 86.2 | Confident | 81.9 | Confident | 45 Ų | 45 | 93.5 Ų | 93.5 | 27% | 0.273 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | N50 E51 K56 T57 G58 D60 | N50-V54 WeakPolarHBondContact O-CG2 3.27Å; N50-V54 PolarHBondContact O-N 3.32Å; E51-V54 PolarHBondContact O-N 3.5Å; V54-K56 VanDerWaalsContact C-N 3.29Å; V54-K56 PolarHBondContact O-N 3.04Å; V54-T57 PolarHBondContact O-N 2.98Å; V54-G58 VanDerWaalsContact O-CA 3.25Å; V54-G58 WeakPolarHBondContact O-CA 3.49Å; V54-G58 PolarHBondContact O-N 2.92Å; V54-D60 HydrophobicContact CG2-CB 3.98Å |
| 55 | K | 85.4 | Confident | 80.7 | Confident | 170 Ų | 170 | 92.3 Ų | 92.3 | 74% | 0.739 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.3 | -35.3 | 175.6 | -73.8 | 172.5 | -174.2 | 172 | 0 | 113.2 | E51 K53 | E51-K55 WeakPolarHBondContact O-CB 3.2Å; E51-K55 VanDerWaalsContact O-CG 3.28Å; E51-K55 WeakPolarHBondContact O-CG 3.42Å; E51-K55 PolarHBondContact O-N 3.29Å; K53-K55 VanDerWaalsContact C-N 3.31Å; K53-K55 PolarHBondContact O-N 3.46Å |
| 56 | K | 84.8 | Confident | 79.3 | Confident | 169 Ų | 169 | 92.8 Ų | 92.8 | 74% | 0.735 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -79.6 | -39.4 | -179.9 | -73.2 | 175.8 | -175 | 179.6 | 0 | 113.2 | Q52 K53 V54 | Q52-K56 VanDerWaalsContact O-CG 3.29Å; Q52-K56 WeakPolarHBondContact O-CG 3.34Å; Q52-K56 PolarHBondContact O-N 2.99Å; Q52-K56 VanDerWaalsContact O-N 3.11Å; K53-K56 PolarHBondContact O-N 3.49Å; K53-K56 VanDerWaalsContact O-N 3.08Å; V54-K56 VanDerWaalsContact C-N 3.29Å; V54-K56 PolarHBondContact O-N 3.04Å |
| 57 | T | 83.3 | Confident | 78.2 | Confident | 84 Ų | 84 | 98.2 Ų | 98.2 | 52% | 0.515 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -100.3 | -14.8 | -172.4 | -48.7 | 0 | 0 | 0 | 0 | 112.8 | K53 V54 V59 Y61 | K53-T57 WeakPolarHBondContact O-CB 3.48Å; K53-T57 PolarHBondContact O-N 2.63Å; K53-T57 PolarHBondContact O-OG1 3.09Å; V54-T57 PolarHBondContact O-N 2.98Å; T57-V59 PolarHBondContact O-N 3.06Å; T57-Y61 HydrophobicContact CG2-CE2 3.77Å |
| 58 | G | 81.6 | Confident | 76.8 | Confident | 65 Ų | 65 | 101.8 Ų | 101.8 | 67% | 0.67 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 74.2 | 2.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V54 | V54-G58 VanDerWaalsContact O-CA 3.25Å; V54-G58 WeakPolarHBondContact O-CA 3.49Å; V54-G58 PolarHBondContact O-N 2.92Å |
| 59 | V | 79.9 | Confident | 75.2 | Confident | 70 Ų | 70 | 100.7 Ų | 100.7 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -137.1 | 139.4 | -174.1 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | T57 Y61 | T57-V59 PolarHBondContact O-N 3.06Å; V59-Y61 HydrophobicContact CB-CD2 4.47Å; V59-Y61 HydrophobicContact CB-CE2 3.77Å; V59-Y61 HydrophobicContact CG1-CD2 4.46Å; V59-Y61 HydrophobicContact CG1-CE1 4.06Å; V59-Y61 HydrophobicContact CG1-CE2 3.94Å |
| 60 | D | 77 | Confident | 73.9 | Confident | 78 Ų | 78 | 100.8 Ų | 100.8 | 42% | 0.417 | 51% | 0.505 | S | S | . | . | trans | -88.9 | 117 | 175.2 | -169.7 | -1.6 | 0 | 0 | 0 | 111.4 | V54 N62 | V54-D60 HydrophobicContact CG2-CB 3.98Å; D60-N62 WeakPolarHBondContact OD1-CB 3.41Å; D60-N62 PolarHBondContact OD1-N 2.71Å; D60-N62 PolarHBondContact OD1-ND2 3.23Å; D60-N62 PolarHBondContact OD2-ND2 2.87Å | ||
| 61 | Y | 70.3 | Confident | 72.9 | Confident | 119 Ų | 119 | 105.4 Ų | 105.4 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | trans | -106.9 | 20.9 | 177.8 | -63.1 | -77.2 | 0 | 0 | 0 | 112.6 | T57 V59 W63 L64 | T57-Y61 HydrophobicContact CG2-CE2 3.77Å; V59-Y61 HydrophobicContact CB-CD2 4.47Å; V59-Y61 HydrophobicContact CB-CE2 3.77Å; V59-Y61 HydrophobicContact CG1-CD2 4.46Å; V59-Y61 HydrophobicContact CG1-CE1 4.06Å; V59-Y61 HydrophobicContact CG1-CE2 3.94Å; Y61-W63 PolarHBondContact O-N 3.2Å; Y61-W63 VanDerWaalsContact O-N 3.14Å; Y61-L64 HydrophobicContact CD1-CD1 3.83Å; Y61-L64 WeakPolarHBondContact O-CB 3.46Å; Y61-L64 PolarHBondContact O-N 3.16Å | ||
| 62 | N | 72.3 | Confident | 72.1 | Confident | 49 Ų | 49 | 105 Ų | 105 | 26% | 0.262 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -51.2 | -38.7 | -179 | -95.3 | -29.2 | 0 | 0 | 0 | 113.8 | N50 D60 L64 R65 | N50-N62 VanDerWaalsContact ND2-CG 3.34Å; N50-N62 PolarHBondContact ND2-ND2 3.25Å; N50-N62 PolarHBondContact ND2-OD1 3.37Å; N50-N62 PolarHBondContact OD1-OD1 3.2Å; D60-N62 WeakPolarHBondContact OD1-CB 3.41Å; D60-N62 PolarHBondContact OD1-N 2.71Å; D60-N62 PolarHBondContact OD1-ND2 3.23Å; D60-N62 PolarHBondContact OD2-ND2 2.87Å; N62-L64 VanDerWaalsContact C-N 3.28Å; N62-L64 PolarHBondContact O-N 3.11Å; N62-R65 PolarHBondContact O-N 3.42Å |
| 63 | W | 67.6 | Low | 71.7 | Confident | 206 Ų | 206 | 107.6 Ų | 107.6 | 78% | 0.78 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -69.3 | -20.5 | -179.8 | 66.5 | -90.4 | 0 | 0 | 0 | 114.4 | Y61 | Y61-W63 PolarHBondContact O-N 3.2Å; Y61-W63 VanDerWaalsContact O-N 3.14Å |
| 64 | L | 65.9 | Low | 71.6 | Confident | 106 Ų | 106 | 104.4 Ų | 104.4 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -86.5 | -12 | 179.2 | -103.6 | 142.9 | 0 | 0 | 0 | 112.7 | Y61 N62 S66 | Y61-L64 HydrophobicContact CD1-CD1 3.83Å; Y61-L64 WeakPolarHBondContact O-CB 3.46Å; Y61-L64 PolarHBondContact O-N 3.16Å; N62-L64 VanDerWaalsContact C-N 3.28Å; N62-L64 PolarHBondContact O-N 3.11Å; L64-S66 PolarHBondContact O-N 3.31Å |
| 65 | R | 65.2 | Low | 71.8 | Confident | 74 Ų | 74 | 105.3 Ų | 105.3 | 28% | 0.279 | 54% | 0.538 | S | S | . | . | trans | -83.7 | 109.4 | -176.7 | -154.4 | 174.2 | -151.4 | -166.4 | 0.9 | 109.1 | E49 K53 N62 Y67 | E49-R65 IonicContact OE2-CZ 3.99Å; E49-R65 IonicContact OE2-NH1 3.8Å; E49-R65 IonicContact OE2-NH2 3.16Å; E49-R65 PolarHBondContact OE2-NH2 3.38Å; E49-R65 VanDerWaalsContact OE2-NH2 3.16Å; K53-R65 VanDerWaalsContact NZ-NH2 3.14Å; N62-R65 PolarHBondContact O-N 3.42Å; R65-Y67 PolarHBondContact O-N 3.22Å; R65-Y67 VanDerWaalsContact O-N 3.17Å | ||
| 66 | S | 59.3 | Low | 71.9 | Confident | 89 Ų | 89 | 100.6 Ų | 100.6 | 62% | 0.622 | 53% | 0.531 | S | S | * | . | trans | -66.7 | 114.8 | 158.1 | 76.5 | 0 | 0 | 0 | 0 | 106.4 | L64 Q68 | L64-S66 PolarHBondContact O-N 3.31Å; S66-Q68 PolarHBondContact O-N 3.2Å | ||
| 67 | Y | 60.8 | Low | 72 | Confident | 152 Ų | 152 | 97.3 Ų | 97.3 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | trans | -63.1 | 88.6 | 173 | -71.6 | -90 | 0 | 0 | 0 | 108.6 | R65 T69 | R65-Y67 PolarHBondContact O-N 3.22Å; R65-Y67 VanDerWaalsContact O-N 3.17Å; Y67-T69 PolarHBondContact O-N 3.15Å | ||
| 68 | Q | 57.1 | Low | 72.3 | Confident | 165 Ų | 165 | 96.1 Ų | 96.1 | 77% | 0.771 | 51% | 0.514 | S | S | * | . | trans | -72.5 | 80.5 | 158.4 | -77 | 171.1 | -4.4 | 0 | 0 | 105.1 | S66 S70 | S66-Q68 PolarHBondContact O-N 3.2Å; Q68-S70 VanDerWaalsContact C-N 3.26Å; Q68-S70 PolarHBondContact O-N 2.87Å | ||
| 69 | T | 57.2 | Low | 72.6 | Confident | 70 Ų | 70 | 94.4 Ų | 94.4 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | trans | -59.3 | 98.3 | 169.8 | 46.1 | 0 | 0 | 0 | 0 | 106.1 | Y67 H71 | Y67-T69 PolarHBondContact O-N 3.15Å; T69-H71 PolarHBondContact O-N 3.06Å | ||
| 70 | S | 59.2 | Low | 73.1 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 58% | 0.58 | 50% | 0.5 | S | S | * | . | trans | -67.1 | 73.4 | 164.9 | 51 | 0 | 0 | 0 | 0 | 106.4 | E42 Q68 T72 | E42-S70 VanDerWaalsContact OE1-C 3.32Å; E42-S70 PolarHBondContact OE1-N 2.83Å; E42-S70 PolarHBondContact OE1-OG 3.49Å; Q68-S70 VanDerWaalsContact C-N 3.26Å; Q68-S70 PolarHBondContact O-N 2.87Å; S70-T72 PolarHBondContact O-N 2.95Å | ||
| 71 | H | 63.5 | Low | 73.6 | Confident | 115 Ų | 115 | 100.8 Ų | 100.8 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | trans | -51.4 | 112.3 | -178.3 | -86.6 | -37.7 | 0 | 0 | 0 | 107.1 | T69 M73 | T69-H71 PolarHBondContact O-N 3.06Å; H71-M73 HydrophobicContact CB-CG 4.17Å; H71-M73 PolarHBondContact O-N 3.42Å | ||
| 72 | T | 68.3 | Low | 74.5 | Confident | 90 Ų | 90 | 95.9 Ų | 95.9 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | trans | -69 | 84.1 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 106.3 | S70 | S70-T72 PolarHBondContact O-N 2.95Š| ||
| 73 | M | 77.3 | Confident | 75.4 | Confident | 158 Ų | 158 | 97.3 Ų | 97.3 | 78% | 0.778 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 122.6 | -179.7 | -76.3 | -172.5 | 67.6 | 0 | 0 | 108.1 | H71 P75 | H71-M73 HydrophobicContact CB-CG 4.17Å; H71-M73 PolarHBondContact O-N 3.42Å; M73-P75 WeakPolarHBondContact O-CD 3.42Å |
| 74 | I | 81.9 | Confident | 76.4 | Confident | 36 Ų | 36 | 91.2 Ų | 91.2 | 19% | 0.185 | 48% | 0.476 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 121.6 | 171.1 | -57.5 | 172.1 | 0 | 0 | 0 | 107.2 | L34 K35 L38 E78 Q79 L82 | L34-I74 HydrophobicContact CD2-CD1 4.17Å; K35-I74 HydrophobicContact CG-CD1 4.4Å; L38-I74 HydrophobicContact CD1-CD1 3.86Å; L38-I74 HydrophobicContact CD1-CG1 3.85Å; I74-E78 HydrophobicContact CG2-CB 3.79Å; I74-Q79 HydrophobicContact CG2-CB 4.08Å; I74-L82 HydrophobicContact CD1-CD1 4.37Å; I74-L82 HydrophobicContact CG2-CD1 4.24Å |
| 75 | P | 89.3 | Confident | 77.3 | Confident | 63 Ų | 63 | 88.5 Ų | 88.5 | 41% | 0.409 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 146.6 | 176.2 | -21.7 | 31.1 | 0 | 0 | 0 | 111.3 | M73 T77 E78 Q79 | M73-P75 WeakPolarHBondContact O-CD 3.42Å; P75-T77 PolarHBondContact O-N 3.45Å; P75-T77 VanDerWaalsContact O-N 3.09Å; P75-E78 HydrophobicContact CB-CG 4.09Å; P75-E78 WeakPolarHBondContact CD-OE2 3.31Å; P75-E78 HydrophobicContact CG-CG 4.09Å; P75-E78 PolarHBondContact O-N 3.12Å; P75-Q79 PolarHBondContact O-N 2.99Å |
| 76 | A | 87.8 | Confident | 78.4 | Confident | 71 Ų | 71 | 85.6 Ų | 85.6 | 59% | 0.587 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -57.9 | -31.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R80 | A76-R80 WeakPolarHBondContact O-CG 3.47Å; A76-R80 PolarHBondContact O-N 2.93Å; A76-R80 VanDerWaalsContact O-N 3.13Å |
| 77 | T | 88.3 | Confident | 79.7 | Confident | 101 Ų | 101 | 82.5 Ų | 82.5 | 62% | 0.62 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 175.4 | 43.6 | 0 | 0 | 0 | 0 | 112 | P75 R80 Q81 | P75-T77 PolarHBondContact O-N 3.45Å; P75-T77 VanDerWaalsContact O-N 3.09Å; T77-R80 PolarHBondContact O-N 3Å; T77-Q81 WeakPolarHBondContact O-CG 3.43Å; T77-Q81 PolarHBondContact O-N 3.19Å |
| 78 | E | 87.8 | Confident | 80.9 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 27% | 0.271 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 179 | -51.2 | -168.8 | 172.4 | 0 | 0 | 111.2 | L3 I74 P75 R80 Q81 L82 | L3-E78 HydrophobicContact CD1-CB 4.18Å; L3-E78 HydrophobicContact CD1-CG 3.54Å; L3-E78 HydrophobicContact CD2-CG 4.47Å; L3-E78 VanDerWaalsContact CD2-OE1 3.26Å; L3-E78 WeakPolarHBondContact CD2-OE1 3.19Å; I74-E78 HydrophobicContact CG2-CB 3.79Å; P75-E78 HydrophobicContact CB-CG 4.09Å; P75-E78 WeakPolarHBondContact CD-OE2 3.31Å; P75-E78 HydrophobicContact CG-CG 4.09Å; P75-E78 PolarHBondContact O-N 3.12Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 3.09Å; E78-Q81 PolarHBondContact O-N 2.84Å; E78-L82 WeakPolarHBondContact O-CG 3.37Å; E78-L82 PolarHBondContact O-N 2.8Å |
| 79 | Q | 89.9 | Confident | 82.2 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56 | -47.1 | 174.5 | 178.8 | 68.8 | 32.4 | 0 | 0 | 111.1 | I74 P75 Q81 L82 E83 | I74-Q79 HydrophobicContact CG2-CB 4.08Å; P75-Q79 PolarHBondContact O-N 2.99Å; Q79-Q81 PolarHBondContact O-N 3.49Å; Q79-L82 PolarHBondContact O-N 3.42Å; Q79-E83 PolarHBondContact NE2-OE1 3.08Å; Q79-E83 WeakPolarHBondContact O-CG 3.43Å; Q79-E83 PolarHBondContact O-N 2.98Å |
| 80 | R | 89.6 | Confident | 83.6 | Confident | 180 Ų | 180 | 72.4 Ų | 72.4 | 68% | 0.679 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.1 | -39.8 | 176.8 | -74.1 | 176 | -175.6 | -172.6 | 2.9 | 112.5 | A76 T77 E78 E83 V84 | A76-R80 WeakPolarHBondContact O-CG 3.47Å; A76-R80 PolarHBondContact O-N 2.93Å; A76-R80 VanDerWaalsContact O-N 3.13Å; T77-R80 PolarHBondContact O-N 3Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 3.09Å; R80-E83 PolarHBondContact O-N 3.21Å; R80-V84 WeakPolarHBondContact O-CG2 3.42Å; R80-V84 PolarHBondContact O-N 3.05Å; R80-V84 VanDerWaalsContact O-N 3.1Å |
| 81 | Q | 88.1 | Confident | 84.8 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 177 | -72.3 | 176.6 | -27 | 0 | 0 | 111.6 | T77 E78 Q79 V84 L85 | T77-Q81 WeakPolarHBondContact O-CG 3.43Å; T77-Q81 PolarHBondContact O-N 3.19Å; E78-Q81 PolarHBondContact O-N 2.84Å; Q79-Q81 PolarHBondContact O-N 3.49Å; Q81-V84 PolarHBondContact O-N 3.13Å; Q81-L85 WeakPolarHBondContact O-CG 3.47Å; Q81-L85 PolarHBondContact O-N 3.34Å |
| 82 | L | 88.9 | Confident | 85.9 | Confident | 15 Ų | 15 | 70.9 Ų | 70.9 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.8 | -76.1 | 166.2 | 0 | 0 | 0 | 111.9 | F4 L31 L34 I74 E78 Q79 V84 L85 C86 | F4-L82 HydrophobicContact CE1-CD2 4Å; F4-L82 HydrophobicContact CE2-CD2 3.98Å; F4-L82 HydrophobicContact CE2-CG 4.27Å; F4-L82 HydrophobicContact CZ-CD1 4.33Å; F4-L82 HydrophobicContact CZ-CD2 3.44Å; F4-L82 VanDerWaalsContact CZ-CD2 3.44Å; F4-L82 HydrophobicContact CZ-CG 3.82Å; L31-L82 HydrophobicContact CD2-CB 3.74Å; L31-L82 HydrophobicContact CD2-CD1 4.44Å; L34-L82 HydrophobicContact CD2-CD1 3.72Å; L34-L82 HydrophobicContact CD2-CD2 4.28Å; I74-L82 HydrophobicContact CD1-CD1 4.37Å; I74-L82 HydrophobicContact CG2-CD1 4.24Å; E78-L82 WeakPolarHBondContact O-CG 3.37Å; E78-L82 PolarHBondContact O-N 2.8Å; Q79-L82 PolarHBondContact O-N 3.42Å; L82-V84 VanDerWaalsContact C-N 3.32Å; L82-V84 PolarHBondContact O-N 3.13Å; L82-L85 PolarHBondContact O-N 3.5Å; L82-C86 WeakPolarHBondContact O-CB 3.37Å; L82-C86 PolarHBondContact O-N 3.01Å; L82-C86 PolarHBondContact O-SG 3.13Å |
| 83 | E | 90.6 | Very high | 86.7 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 175.7 | -76.9 | 165.4 | -166.2 | 0 | 0 | 112 | T27 L31 Q79 R80 S87 | T27-E83 HydrophobicContact CG2-CB 4.31Å; T27-E83 HydrophobicContact CG2-CG 4.17Å; L31-E83 HydrophobicContact CD1-CG 3.46Å; L31-E83 VanDerWaalsContact CD1-CG 3.46Å; Q79-E83 PolarHBondContact NE2-OE1 3.08Å; Q79-E83 WeakPolarHBondContact O-CG 3.43Å; Q79-E83 PolarHBondContact O-N 2.98Å; R80-E83 PolarHBondContact O-N 3.21Å; E83-S87 WeakPolarHBondContact O-CB 3.37Å; E83-S87 PolarHBondContact O-N 3.35Å |
| 84 | V | 87.9 | Confident | 87.1 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | R80 Q81 L82 S87 Q88 | R80-V84 WeakPolarHBondContact O-CG2 3.42Å; R80-V84 PolarHBondContact O-N 3.05Å; R80-V84 VanDerWaalsContact O-N 3.1Å; Q81-V84 PolarHBondContact O-N 3.13Å; L82-V84 VanDerWaalsContact C-N 3.32Å; L82-V84 PolarHBondContact O-N 3.13Å; V84-S87 PolarHBondContact O-N 3.22Å; V84-S87 PolarHBondContact O-OG 3.02Å; V84-Q88 WeakPolarHBondContact O-CG 3.26Å; V84-Q88 PolarHBondContact O-NE2 3.43Å |
| 85 | L | 86.4 | Confident | 87.4 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66 | -45.8 | 178.3 | -69.3 | 173.7 | 0 | 0 | 0 | 111.9 | F4 W9 Q81 L82 S87 Q88 | F4-L85 HydrophobicContact CD2-CD1 4.09Å; F4-L85 HydrophobicContact CE2-CD1 4.35Å; W9-L85 HydrophobicContact CZ2-CD1 4.13Å; Q81-L85 WeakPolarHBondContact O-CG 3.47Å; Q81-L85 PolarHBondContact O-N 3.34Å; L82-L85 PolarHBondContact O-N 3.5Å; L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 3.42Å; L85-Q88 WeakPolarHBondContact O-CB 3.21Å; L85-Q88 PolarHBondContact O-N 2.76Å; L85-Q88 VanDerWaalsContact O-N 3.13Å |
| 86 | C | 88.2 | Confident | 87.3 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.4 | -34.1 | -179.9 | -63.6 | 0 | 0 | 0 | 0 | 112 | T27 L30 L82 Q88 V89 | T27-C86 HydrophobicContact CG2-CB 3.91Å; L30-C86 HydrophobicContact CB-CB 4.47Å; L30-C86 HydrophobicContact CD1-CB 4Å; L82-C86 WeakPolarHBondContact O-CB 3.37Å; L82-C86 PolarHBondContact O-N 3.01Å; L82-C86 PolarHBondContact O-SG 3.13Å; C86-Q88 PolarHBondContact O-N 3.1Å; C86-Q88 VanDerWaalsContact O-N 3.13Å; C86-V89 WeakPolarHBondContact O-CB 3.43Å; C86-V89 PolarHBondContact O-N 3.32Å |
| 87 | S | 86.9 | Confident | 87.3 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 16% | 0.161 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.9 | 178.1 | 74.6 | 0 | 0 | 0 | 0 | 113.9 | S23 T27 E83 V84 L85 | S23-S87 WeakPolarHBondContact CB-O 3.39Å; T27-S87 WeakPolarHBondContact OG1-CA 3.43Å; T27-S87 PolarHBondContact OG1-N 2.84Å; T27-S87 VanDerWaalsContact OG1-N 3.13Å; E83-S87 WeakPolarHBondContact O-CB 3.37Å; E83-S87 PolarHBondContact O-N 3.35Å; V84-S87 PolarHBondContact O-N 3.22Å; V84-S87 PolarHBondContact O-OG 3.02Å; L85-S87 VanDerWaalsContact C-N 3.27Å; L85-S87 PolarHBondContact O-N 3.42Å |
| 88 | Q | 85.1 | Confident | 87.3 | Confident | 107 Ų | 107 | 62 Ų | 62 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -9.3 | 177.4 | -63.6 | 168 | 51.7 | 0 | 0 | 112.6 | V84 L85 C86 | V84-Q88 WeakPolarHBondContact O-CG 3.26Å; V84-Q88 PolarHBondContact O-NE2 3.43Å; L85-Q88 WeakPolarHBondContact O-CB 3.21Å; L85-Q88 PolarHBondContact O-N 2.76Å; L85-Q88 VanDerWaalsContact O-N 3.13Å; C86-Q88 PolarHBondContact O-N 3.1Å; C86-Q88 VanDerWaalsContact O-N 3.13Å |
| 89 | V | 85.1 | Confident | 87.2 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -78.1 | 126.9 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | V26 L30 C86 Q93 V97 | V26-V89 HydrophobicContact CG1-CB 3.91Å; V26-V89 HydrophobicContact CG1-CG1 3.97Å; L30-V89 HydrophobicContact CD1-CB 4.36Å; L30-V89 HydrophobicContact CD1-CG1 4.48Å; L30-V89 HydrophobicContact CD1-CG2 4.12Å; C86-V89 WeakPolarHBondContact O-CB 3.43Å; C86-V89 PolarHBondContact O-N 3.32Å; V89-Q93 HydrophobicContact CG1-CB 4.35Å; V89-V97 HydrophobicContact CG1-CG2 4.1Å |
| 90 | Q | 84.9 | Confident | 86.6 | Confident | 54 Ų | 54 | 75 Ų | 75 | 25% | 0.252 | 40% | 0.397 | S | S | . | . | trans | -66.9 | 139.6 | 173.2 | -71 | -174.8 | 1.4 | 0 | 0 | 110.2 | Y20 C92 Q93 A94 | Y20-Q90 HydrophobicContact CD1-CG 4.26Å; Y20-Q90 HydrophobicContact CD2-CG 3.96Å; Y20-Q90 HydrophobicContact CE1-CG 3.93Å; Y20-Q90 HydrophobicContact CE2-CG 3.62Å; Y20-Q90 HydrophobicContact CG-CG 4.27Å; Y20-Q90 PolarHBondContact OH-NE2 3.24Å; Q90-C92 VanDerWaalsContact C-N 3.26Å; Q90-C92 PolarHBondContact O-N 3.02Å; Q90-C92 VanDerWaalsContact O-N 3.16Å; Q90-Q93 HydrophobicContact CB-CB 4.48Å; Q90-Q93 HydrophobicContact CB-CG 4.19Å; Q90-Q93 WeakPolarHBondContact O-CA 3.46Å; Q90-Q93 WeakPolarHBondContact O-CB 3.39Å; Q90-Q93 PolarHBondContact O-N 3.38Å; Q90-A94 PolarHBondContact O-N 3.17Å | ||
| 91 | P | 86.2 | Confident | 86.4 | Confident | 60 Ų | 60 | 69.7 Ų | 69.7 | 39% | 0.39 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -53.5 | -38.6 | -179.7 | -27.6 | 33.8 | 0 | 0 | 0 | 114.8 | V26 Q93 A94 | V26-P91 HydrophobicContact CG2-CB 3.84Å; V26-P91 HydrophobicContact CG2-CG 3.86Å; P91-Q93 PolarHBondContact O-N 2.98Å; P91-A94 WeakPolarHBondContact O-CB 3.34Å; P91-A94 PolarHBondContact O-N 3.17Å |
| 92 | C | 84.9 | Confident | 86.3 | Confident | 106 Ų | 106 | 67.9 Ų | 67.9 | 72% | 0.716 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -65.5 | -19.1 | 177 | 57.8 | 0 | 0 | 0 | 0 | 114 | Q90 | Q90-C92 VanDerWaalsContact C-N 3.26Å; Q90-C92 PolarHBondContact O-N 3.02Å; Q90-C92 VanDerWaalsContact O-N 3.16Å |
| 93 | Q | 85.3 | Confident | 86.2 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 27% | 0.271 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -97.8 | -8.3 | -179.6 | -62.1 | -177.8 | -15.9 | 0 | 0 | 112.9 | Y13 V89 Q90 P91 G95 T96 V97 | Y13-Q93 PolarHBondContact OH-NE2 2.9Å; Y13-Q93 PolarHBondContact OH-OE1 3.23Å; V89-Q93 HydrophobicContact CG1-CB 4.35Å; Q90-Q93 HydrophobicContact CB-CB 4.48Å; Q90-Q93 HydrophobicContact CB-CG 4.19Å; Q90-Q93 WeakPolarHBondContact O-CA 3.46Å; Q90-Q93 WeakPolarHBondContact O-CB 3.39Å; Q90-Q93 PolarHBondContact O-N 3.38Å; P91-Q93 PolarHBondContact O-N 2.98Å; Q93-G95 VanDerWaalsContact C-N 3.27Å; Q93-G95 PolarHBondContact O-N 3.41Å; Q93-T96 PolarHBondContact O-N 2.77Å; Q93-T96 VanDerWaalsContact O-N 3.11Å; Q93-V97 PolarHBondContact O-N 3.34Å |
| 94 | A | 87.1 | Confident | 85.9 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 13% | 0.132 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.3 | -39.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V26 Q90 P91 T96 V97 L98 | V26-A94 HydrophobicContact CG1-CB 4Å; V26-A94 HydrophobicContact CG2-CB 4.37Å; Q90-A94 PolarHBondContact O-N 3.17Å; P91-A94 WeakPolarHBondContact O-CB 3.34Å; P91-A94 PolarHBondContact O-N 3.17Å; A94-T96 VanDerWaalsContact C-N 3.34Å; A94-T96 PolarHBondContact O-N 2.71Å; A94-V97 PolarHBondContact O-N 2.99Å; A94-L98 WeakPolarHBondContact O-CG 3.31Å; A94-L98 PolarHBondContact O-N 3.13Å |
| 95 | G | 87.8 | Confident | 85.8 | Confident | 50 Ų | 50 | 69.9 Ų | 69.9 | 52% | 0.515 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q93 V97 L98 S99 | Q93-G95 VanDerWaalsContact C-N 3.27Å; Q93-G95 PolarHBondContact O-N 3.41Å; G95-V97 VanDerWaalsContact C-N 3.31Å; G95-V97 PolarHBondContact O-N 3.44Å; G95-L98 PolarHBondContact O-N 3.24Å; G95-S99 PolarHBondContact O-N 3.09Å; G95-S99 PolarHBondContact O-OG 3.28Å |
| 96 | T | 87.7 | Confident | 85.8 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 50% | 0.503 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.3 | -30.3 | 177.7 | -51.1 | 0 | 0 | 0 | 0 | 112.8 | Q93 A94 S99 | Q93-T96 PolarHBondContact O-N 2.77Å; Q93-T96 VanDerWaalsContact O-N 3.11Å; A94-T96 VanDerWaalsContact C-N 3.34Å; A94-T96 PolarHBondContact O-N 2.71Å; T96-S99 PolarHBondContact O-OG 2.68Å |
| 97 | V | 86.6 | Confident | 85.6 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 33% | 0.333 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.1 | -40.4 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | L30 V89 Q93 A94 G95 | L30-V97 HydrophobicContact CD1-CG1 4.38Å; L30-V97 HydrophobicContact CD2-CB 4.2Å; L30-V97 HydrophobicContact CD2-CG1 3.84Å; V89-V97 HydrophobicContact CG1-CG2 4.1Å; Q93-V97 PolarHBondContact O-N 3.34Å; A94-V97 PolarHBondContact O-N 2.99Å; G95-V97 VanDerWaalsContact C-N 3.31Å; G95-V97 PolarHBondContact O-N 3.44Å |
| 98 | L | 87.8 | Confident | 85.5 | Confident | 71 Ų | 71 | 79.5 Ų | 79.5 | 37% | 0.372 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.8 | -24.6 | -179.9 | -71.1 | 174.7 | 0 | 0 | 0 | 114.2 | T29 L30 E33 A94 G95 R100 | T29-L98 HydrophobicContact CG2-CD1 4.17Å; L30-L98 HydrophobicContact CD2-CD1 4.49Å; L30-L98 HydrophobicContact CD2-CD2 3.6Å; L30-L98 HydrophobicContact CD2-CG 3.76Å; E33-L98 HydrophobicContact CB-CD2 3.75Å; E33-L98 HydrophobicContact CG-CD2 3.6Å; A94-L98 WeakPolarHBondContact O-CG 3.31Å; A94-L98 PolarHBondContact O-N 3.13Å; G95-L98 PolarHBondContact O-N 3.24Å; L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 3.49Å |
| 99 | S | 86.4 | Confident | 85.5 | Confident | 97 Ų | 97 | 77.2 Ų | 77.2 | 68% | 0.678 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 1.6 | -177.9 | 69.6 | 0 | 0 | 0 | 0 | 114.5 | G95 T96 | G95-S99 PolarHBondContact O-N 3.09Å; G95-S99 PolarHBondContact O-OG 3.28Å; T96-S99 PolarHBondContact O-OG 2.68Å |
| 100 | R | 77 | Confident | 85.6 | Confident | 262 Ų | 262 | 82.8 Ų | 82.8 | 99% | 0.989 | 47% | 0.468 | S | S | * | . | trans | -100.4 | 0 | -178.2 | -73.5 | 176.6 | 176.1 | -98.4 | -0.4 | 110.7 | L98 | L98-R100 VanDerWaalsContact C-N 3.29Å; L98-R100 PolarHBondContact O-N 3.49Å |
Retrieved 100 of 100 residues in 112.8 ms
(Link to these results)