| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 56.3 | Low | 239 Ų | 239 | 128.4 Ų | 128.4 | 100% | 1.177 | 71% | 0.714 | S | S | * | * | 0 | 85.3 | 0 | -71.9 | 168.9 | -179.8 | 0 | 0 | 106.3 | F3 | M1-F3 PolarHBondContact O-N 3.39Š| |||
| 2 | S | 45.1 | Very low | 56.5 | Low | 119 Ų | 119 | 131.7 Ų | 131.7 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | trans | -70.8 | 119.3 | 174.2 | -69.5 | 0 | 0 | 0 | 0 | 107.2 | D4 | S2-D4 PolarHBondContact O-N 3.37Š| ||
| 3 | F | 56.7 | Low | 56.8 | Low | 196 Ų | 196 | 131.6 Ų | 131.6 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | trans | -63.3 | 125.1 | 176.1 | -100.6 | -103.1 | 0 | 0 | 0 | 109.2 | M1 Y5 | M1-F3 PolarHBondContact O-N 3.39Å; F3-Y5 PolarHBondContact O-N 3.36Å | ||
| 4 | D | 62.7 | Low | 57.2 | Low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | trans | -67 | 38.3 | 179.4 | -59.6 | -70.7 | 0 | 0 | 0 | 114.4 | S2 E6 S7 | S2-D4 PolarHBondContact O-N 3.37Å; D4-E6 PolarHBondContact O-N 2.78Å; D4-S7 PolarHBondContact O-N 3.46Å | ||
| 5 | Y | 60.2 | Low | 57.8 | Low | 103 Ų | 103 | 125.9 Ų | 125.9 | 40% | 0.404 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -65.8 | -35.9 | -176.1 | 175.5 | -98.7 | 0 | 0 | 0 | 112.7 | F3 S7 A8 L9 L21 | F3-Y5 PolarHBondContact O-N 3.36Å; Y5-S7 VanDerWaalsContact C-N 3.27Å; Y5-S7 PolarHBondContact O-N 3.32Å; Y5-A8 PolarHBondContact O-N 3.4Å; Y5-L9 HydrophobicContact CE1-CD1 4.12Å; Y5-L9 HydrophobicContact CE1-CD2 4.31Å; Y5-L9 HydrophobicContact CE2-CD1 4.22Å; Y5-L9 VanDerWaalsContact OH-CD1 3.29Å; Y5-L9 WeakPolarHBondContact OH-CD1 3.29Å; Y5-L21 WeakPolarHBondContact OH-CD1 3.49Å |
| 6 | E | 57.4 | Low | 58.4 | Low | 176 Ų | 176 | 120.7 Ų | 120.7 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -65.5 | -26.5 | -179.3 | -86 | 169.6 | 97.9 | 0 | 0 | 113.4 | D4 | D4-E6 PolarHBondContact O-N 2.78Å |
| 7 | S | 58 | Low | 59.1 | Low | 92 Ų | 92 | 114.7 Ų | 114.7 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.2 | -28.2 | -179.3 | 174.5 | 0 | 0 | 0 | 0 | 113.4 | D4 Y5 | D4-S7 PolarHBondContact O-N 3.46Å; Y5-S7 VanDerWaalsContact C-N 3.27Å; Y5-S7 PolarHBondContact O-N 3.32Å |
| 8 | A | 59.2 | Low | 60.4 | Low | 61 Ų | 61 | 113.6 Ų | 113.6 | 50% | 0.504 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -88.6 | -21.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y5 | Y5-A8 PolarHBondContact O-N 3.4Å |
| 9 | L | 60 | Low | 61.9 | Low | 76 Ų | 76 | 113.7 Ų | 113.7 | 40% | 0.398 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -75 | -24.7 | -177.3 | -141.3 | 76.8 | 0 | 0 | 0 | 113.1 | Y5 S11 V17 | Y5-L9 HydrophobicContact CE1-CD1 4.12Å; Y5-L9 HydrophobicContact CE1-CD2 4.31Å; Y5-L9 HydrophobicContact CE2-CD1 4.22Å; Y5-L9 VanDerWaalsContact OH-CD1 3.29Å; Y5-L9 WeakPolarHBondContact OH-CD1 3.29Å; L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.48Å; L9-V17 HydrophobicContact CD1-CG1 3.49Å; L9-V17 VanDerWaalsContact CD1-CG1 3.49Å; L9-V17 HydrophobicContact CG-CG1 3.95Å |
| 10 | S | 57.8 | Low | 63.2 | Low | 109 Ų | 109 | 114.3 Ų | 114.3 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -9 | -173.6 | -177.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 11 | S | 59.9 | Low | 64.4 | Low | 100 Ų | 100 | 111.3 Ų | 111.3 | 70% | 0.699 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.5 | 5.9 | -164.7 | -40.6 | 0 | 0 | 0 | 0 | 115.2 | L9 | L9-S11 VanDerWaalsContact C-N 3.31Å; L9-S11 PolarHBondContact O-N 3.48Å |
| 12 | R | 58.9 | Low | 66.7 | Low | 168 Ų | 168 | 105.5 Ų | 105.5 | 63% | 0.634 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -128.8 | 138 | -172.7 | -71.1 | -178.8 | 168.5 | 179.9 | -2.2 | 111.5 | S14 V17 | R12-S14 PolarHBondContact O-N 3.01Å; R12-V17 HydrophobicContact CB-CG2 3.75Å |
| 13 | D | 60.1 | Low | 68.9 | Low | 131 Ų | 131 | 103.6 Ų | 103.6 | 70% | 0.701 | 56% | 0.558 | S | S | * | * | trans | -43.7 | 127.1 | 179.4 | -169.4 | 26.4 | 0 | 0 | 0 | 111.4 | D15 G16 V17 | D13-D15 PolarHBondContact O-N 3.43Å; D13-D15 VanDerWaalsContact O-N 3.11Å; D13-G16 PolarHBondContact O-N 3.11Å; D13-V17 PolarHBondContact O-N 3.46Å | ||
| 14 | S | 62.5 | Low | 70.6 | Confident | 86 Ų | 86 | 99.1 Ų | 99.1 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56 | -34 | -166.8 | 38.5 | 0 | 0 | 0 | 0 | 113 | R12 G16 V17 D18 | R12-S14 PolarHBondContact O-N 3.01Å; S14-G16 VanDerWaalsContact C-N 3.35Å; S14-G16 PolarHBondContact O-N 3.41Å; S14-V17 PolarHBondContact O-N 2.78Å; S14-D18 PolarHBondContact O-N 3.08Å; S14-D18 VanDerWaalsContact O-N 3.08Å |
| 15 | D | 66.5 | Low | 72.1 | Confident | 92 Ų | 92 | 96 Ų | 96 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.2 | -28.8 | -179.1 | -164.2 | 60.8 | 0 | 0 | 0 | 113.5 | D13 K19 | D13-D15 PolarHBondContact O-N 3.43Å; D13-D15 VanDerWaalsContact O-N 3.11Å; D15-K19 IonicContact OD2-NZ 2.78Å; D15-K19 PolarHBondContact OD2-NZ 2.82Å |
| 16 | G | 66.5 | Low | 73.7 | Confident | 42 Ų | 42 | 95.5 Ų | 95.5 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -78.5 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D13 S14 D18 K19 E20 | D13-G16 PolarHBondContact O-N 3.11Å; S14-G16 VanDerWaalsContact C-N 3.35Å; S14-G16 PolarHBondContact O-N 3.41Å; G16-D18 VanDerWaalsContact C-N 3.31Å; G16-D18 PolarHBondContact O-N 3.3Å; G16-K19 PolarHBondContact O-N 3.43Å; G16-E20 PolarHBondContact O-N 2.89Å; G16-E20 VanDerWaalsContact O-N 3.14Å |
| 17 | V | 70.3 | Confident | 75.5 | Confident | 19 Ų | 19 | 89.3 Ų | 89.3 | 12% | 0.115 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | L9 R12 D13 S14 K19 E20 L21 | L9-V17 HydrophobicContact CD1-CG1 3.49Å; L9-V17 VanDerWaalsContact CD1-CG1 3.49Å; L9-V17 HydrophobicContact CG-CG1 3.95Å; R12-V17 HydrophobicContact CB-CG2 3.75Å; D13-V17 PolarHBondContact O-N 3.46Å; S14-V17 PolarHBondContact O-N 2.78Å; V17-K19 PolarHBondContact O-N 3.14Å; V17-E20 PolarHBondContact O-N 3.41Å; V17-L21 WeakPolarHBondContact O-CB 3.23Å; V17-L21 PolarHBondContact O-N 3.39Å |
| 18 | D | 82.8 | Confident | 77.2 | Confident | 95 Ų | 95 | 88.6 Ų | 88.6 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | -180 | -72.8 | -28.6 | 0 | 0 | 0 | 112.6 | S14 G16 Q22 | S14-D18 PolarHBondContact O-N 3.08Å; S14-D18 VanDerWaalsContact O-N 3.08Å; G16-D18 VanDerWaalsContact C-N 3.31Å; G16-D18 PolarHBondContact O-N 3.3Å; D18-Q22 VanDerWaalsContact O-CB 3.23Å; D18-Q22 WeakPolarHBondContact O-CB 3.07Å; D18-Q22 PolarHBondContact O-N 3.41Å |
| 19 | K | 88.4 | Confident | 78.9 | Confident | 116 Ų | 116 | 90.7 Ų | 90.7 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.1 | -42.1 | 178.2 | -68.8 | 172.9 | -173.5 | 141 | 0 | 112.7 | D15 G16 V17 Q22 T23 | D15-K19 IonicContact OD2-NZ 2.78Å; D15-K19 PolarHBondContact OD2-NZ 2.82Å; G16-K19 PolarHBondContact O-N 3.43Å; V17-K19 PolarHBondContact O-N 3.14Å; K19-Q22 PolarHBondContact O-N 2.89Å; K19-T23 PolarHBondContact O-N 3.06Å; K19-T23 PolarHBondContact O-OG1 3.47Å |
| 20 | E | 88.4 | Confident | 80.6 | Confident | 125 Ų | 125 | 93.2 Ų | 93.2 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 175.9 | -174.1 | 175.4 | 180 | 0 | 0 | 110.6 | G16 V17 T23 F24 | G16-E20 PolarHBondContact O-N 2.89Å; G16-E20 VanDerWaalsContact O-N 3.14Å; V17-E20 PolarHBondContact O-N 3.41Å; E20-T23 PolarHBondContact O-N 3.47Å; E20-F24 WeakPolarHBondContact O-CB 3.38Å; E20-F24 PolarHBondContact O-N 2.88Å |
| 21 | L | 89.2 | Confident | 82.4 | Confident | 51 Ų | 51 | 96.2 Ų | 96.2 | 27% | 0.267 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 175.7 | 178.6 | 55.3 | 0 | 0 | 0 | 111.7 | Y5 V17 T23 F24 I25 | Y5-L21 WeakPolarHBondContact OH-CD1 3.49Å; V17-L21 WeakPolarHBondContact O-CB 3.23Å; V17-L21 PolarHBondContact O-N 3.39Å; L21-T23 VanDerWaalsContact C-N 3.33Å; L21-T23 PolarHBondContact O-N 3.01Å; L21-F24 HydrophobicContact CD1-CD1 4.36Å; L21-F24 WeakPolarHBondContact O-CB 3.43Å; L21-F24 PolarHBondContact O-N 2.92Å; L21-I25 HydrophobicContact CD1-CD1 3.91Å; L21-I25 HydrophobicContact CD1-CG1 4.02Å; L21-I25 HydrophobicContact CG-CD1 3.84Å; L21-I25 HydrophobicContact CG-CG1 4.4Å; L21-I25 WeakPolarHBondContact O-CB 3.47Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 3.48Å |
| 22 | Q | 89.4 | Confident | 84.2 | Confident | 117 Ų | 117 | 93.7 Ų | 93.7 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 176.3 | -175.5 | 177.5 | 38.5 | 0 | 0 | 111.5 | D18 K19 F24 I25 Q26 | D18-Q22 VanDerWaalsContact O-CB 3.23Å; D18-Q22 WeakPolarHBondContact O-CB 3.07Å; D18-Q22 PolarHBondContact O-N 3.41Å; K19-Q22 PolarHBondContact O-N 2.89Å; Q22-F24 VanDerWaalsContact C-N 3.32Å; Q22-F24 PolarHBondContact O-N 3.23Å; Q22-I25 PolarHBondContact O-N 3.22Å; Q22-Q26 VanDerWaalsContact O-CG 3.31Å; Q22-Q26 WeakPolarHBondContact O-CG 3.31Å; Q22-Q26 PolarHBondContact O-N 2.88Å |
| 23 | T | 92.1 | Very high | 86 | Confident | 80 Ų | 80 | 91.1 Ų | 91.1 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | K19 E20 L21 Q26 T27 | K19-T23 PolarHBondContact O-N 3.06Å; K19-T23 PolarHBondContact O-OG1 3.47Å; E20-T23 PolarHBondContact O-N 3.47Å; L21-T23 VanDerWaalsContact C-N 3.33Å; L21-T23 PolarHBondContact O-N 3.01Å; T23-Q26 PolarHBondContact O-N 3.44Å; T23-T27 PolarHBondContact O-N 3.3Å; T23-T27 PolarHBondContact O-OG1 2.88Å |
| 24 | F | 93.3 | Very high | 87.7 | Confident | 102 Ų | 102 | 91.5 Ų | 91.5 | 45% | 0.447 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 176.4 | -179.5 | -114.2 | 0 | 0 | 0 | 112.1 | E20 L21 Q22 Q26 T27 I28 | E20-F24 WeakPolarHBondContact O-CB 3.38Å; E20-F24 PolarHBondContact O-N 2.88Å; L21-F24 HydrophobicContact CD1-CD1 4.36Å; L21-F24 WeakPolarHBondContact O-CB 3.43Å; L21-F24 PolarHBondContact O-N 2.92Å; Q22-F24 VanDerWaalsContact C-N 3.32Å; Q22-F24 PolarHBondContact O-N 3.23Å; F24-Q26 PolarHBondContact O-N 3.49Å; F24-T27 WeakPolarHBondContact O-CB 3.31Å; F24-T27 PolarHBondContact O-N 3.38Å; F24-I28 HydrophobicContact CD1-CD1 3.65Å; F24-I28 HydrophobicContact CD2-CD1 4.26Å; F24-I28 HydrophobicContact CE1-CD1 3.21Å; F24-I28 HydrophobicContact CE1-CG1 4.4Å; F24-I28 HydrophobicContact CE2-CD1 3.88Å; F24-I28 HydrophobicContact CE2-CG1 4.32Å; F24-I28 HydrophobicContact CG-CD1 4.17Å; F24-I28 HydrophobicContact CZ-CD1 3.35Å; F24-I28 HydrophobicContact CZ-CG1 4.24Å; F24-I28 WeakPolarHBondContact O-CG1 3.47Å; F24-I28 PolarHBondContact O-N 2.81Å |
| 25 | I | 93.6 | Very high | 89.3 | Confident | 75 Ų | 75 | 91.9 Ų | 91.9 | 39% | 0.385 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.5 | -71.5 | 167.3 | 0 | 0 | 0 | 110.4 | L21 Q22 T27 I28 Q29 | L21-I25 HydrophobicContact CD1-CD1 3.91Å; L21-I25 HydrophobicContact CD1-CG1 4.02Å; L21-I25 HydrophobicContact CG-CD1 3.84Å; L21-I25 HydrophobicContact CG-CG1 4.4Å; L21-I25 WeakPolarHBondContact O-CB 3.47Å; L21-I25 VanDerWaalsContact O-CG1 3.27Å; L21-I25 WeakPolarHBondContact O-CG1 3.41Å; L21-I25 PolarHBondContact O-N 3.48Å; Q22-I25 PolarHBondContact O-N 3.22Å; I25-T27 VanDerWaalsContact C-N 3.3Å; I25-T27 PolarHBondContact O-N 3.36Å; I25-I28 PolarHBondContact O-N 3.23Å; I25-Q29 HydrophobicContact CG2-CG 4.28Å; I25-Q29 WeakPolarHBondContact O-CB 3.27Å; I25-Q29 VanDerWaalsContact O-CG 3.32Å; I25-Q29 WeakPolarHBondContact O-CG 3.32Å; I25-Q29 PolarHBondContact O-N 3.37Å |
| 26 | Q | 93.7 | Very high | 90.8 | Very high | 92 Ų | 92 | 92.5 Ų | 92.5 | 43% | 0.43 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.2 | -43.1 | 177.1 | -73.7 | 173.3 | -3.7 | 0 | 0 | 111.7 | Q22 T23 F24 Q29 Q30 | Q22-Q26 VanDerWaalsContact O-CG 3.31Å; Q22-Q26 WeakPolarHBondContact O-CG 3.31Å; Q22-Q26 PolarHBondContact O-N 2.88Å; T23-Q26 PolarHBondContact O-N 3.44Å; F24-Q26 PolarHBondContact O-N 3.49Å; Q26-Q29 PolarHBondContact O-N 2.97Å; Q26-Q30 VanDerWaalsContact O-CG 3.32Å; Q26-Q30 WeakPolarHBondContact O-CG 3.36Å; Q26-Q30 PolarHBondContact O-N 2.97Å |
| 27 | T | 94 | Very high | 92.2 | Very high | 47 Ų | 47 | 96 Ų | 96 | 29% | 0.288 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | T23 F24 I25 R31 | T23-T27 PolarHBondContact O-N 3.3Å; T23-T27 PolarHBondContact O-OG1 2.88Å; F24-T27 WeakPolarHBondContact O-CB 3.31Å; F24-T27 PolarHBondContact O-N 3.38Å; I25-T27 VanDerWaalsContact C-N 3.3Å; I25-T27 PolarHBondContact O-N 3.36Å; T27-R31 VanDerWaalsContact O-CG 3.31Å; T27-R31 WeakPolarHBondContact O-CG 3.35Å; T27-R31 PolarHBondContact O-N 2.86Å; T27-R31 VanDerWaalsContact O-N 3.12Å |
| 28 | I | 94.7 | Very high | 93.5 | Very high | 77 Ų | 77 | 97.4 Ų | 97.4 | 40% | 0.395 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 176.4 | -71 | 168 | 0 | 0 | 0 | 110.8 | F24 I25 R31 A32 | F24-I28 HydrophobicContact CD1-CD1 3.65Å; F24-I28 HydrophobicContact CD2-CD1 4.26Å; F24-I28 HydrophobicContact CE1-CD1 3.21Å; F24-I28 HydrophobicContact CE1-CG1 4.4Å; F24-I28 HydrophobicContact CE2-CD1 3.88Å; F24-I28 HydrophobicContact CE2-CG1 4.32Å; F24-I28 HydrophobicContact CG-CD1 4.17Å; F24-I28 HydrophobicContact CZ-CD1 3.35Å; F24-I28 HydrophobicContact CZ-CG1 4.24Å; F24-I28 WeakPolarHBondContact O-CG1 3.47Å; F24-I28 PolarHBondContact O-N 2.81Å; I25-I28 PolarHBondContact O-N 3.23Å; I28-R31 PolarHBondContact O-N 3.2Å; I28-A32 WeakPolarHBondContact O-CB 3.47Å; I28-A32 PolarHBondContact O-N 3.12Å |
| 29 | Q | 95.1 | Very high | 94.2 | Very high | 104 Ų | 104 | 97 Ų | 97 | 49% | 0.486 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 179 | -76.1 | 174.9 | -21.8 | 0 | 0 | 111.1 | I25 Q26 R31 A32 E33 | I25-Q29 HydrophobicContact CG2-CG 4.28Å; I25-Q29 WeakPolarHBondContact O-CB 3.27Å; I25-Q29 VanDerWaalsContact O-CG 3.32Å; I25-Q29 WeakPolarHBondContact O-CG 3.32Å; I25-Q29 PolarHBondContact O-N 3.37Å; Q26-Q29 PolarHBondContact O-N 2.97Å; Q29-R31 VanDerWaalsContact C-N 3.29Å; Q29-R31 PolarHBondContact O-N 3.43Å; Q29-A32 PolarHBondContact O-N 3.31Å; Q29-A32 VanDerWaalsContact O-N 3.13Å; Q29-E33 WeakPolarHBondContact O-CB 3.32Å; Q29-E33 WeakPolarHBondContact O-CG 3.45Å; Q29-E33 PolarHBondContact O-N 2.94Å |
| 30 | Q | 95.7 | Very high | 94.6 | Very high | 129 Ų | 129 | 95.4 Ų | 95.4 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -57.7 | -41.3 | 176.2 | -73.6 | 176.4 | -2.7 | 0 | 0 | 112.4 | Q26 F34 | Q26-Q30 VanDerWaalsContact O-CG 3.32Å; Q26-Q30 WeakPolarHBondContact O-CG 3.36Å; Q26-Q30 PolarHBondContact O-N 2.97Å; Q30-F34 WeakPolarHBondContact O-CB 3.43Å; Q30-F34 PolarHBondContact O-N 2.9Å |
| 31 | R | 95.9 | Very high | 95 | Very high | 173 Ų | 173 | 90.7 Ų | 90.7 | 65% | 0.653 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.8 | -40.9 | 176.6 | -72.1 | 174.6 | -177 | 176.4 | 3 | 112.3 | T27 I28 Q29 F34 Q35 | T27-R31 VanDerWaalsContact O-CG 3.31Å; T27-R31 WeakPolarHBondContact O-CG 3.35Å; T27-R31 PolarHBondContact O-N 2.86Å; T27-R31 VanDerWaalsContact O-N 3.12Å; I28-R31 PolarHBondContact O-N 3.2Å; Q29-R31 VanDerWaalsContact C-N 3.29Å; Q29-R31 PolarHBondContact O-N 3.43Å; R31-F34 PolarHBondContact O-N 2.86Å; R31-Q35 WeakPolarHBondContact O-CB 3.44Å; R31-Q35 PolarHBondContact O-N 3.13Å |
| 32 | A | 97 | Very high | 95.3 | Very high | 47 Ų | 47 | 92.2 Ų | 92.2 | 39% | 0.388 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I28 Q29 Q35 N36 | I28-A32 WeakPolarHBondContact O-CB 3.47Å; I28-A32 PolarHBondContact O-N 3.12Å; Q29-A32 PolarHBondContact O-N 3.31Å; Q29-A32 VanDerWaalsContact O-N 3.13Å; A32-Q35 PolarHBondContact O-N 3.3Å; A32-N36 WeakPolarHBondContact O-CB 3.48Å; A32-N36 VanDerWaalsContact O-CG 3.25Å; A32-N36 PolarHBondContact O-N 2.97Å; A32-N36 PolarHBondContact O-ND2 3.39Å |
| 33 | E | 96.1 | Very high | 95.6 | Very high | 113 Ų | 113 | 89.8 Ų | 89.8 | 53% | 0.528 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 173.5 | -72.7 | 173 | -177.4 | 0 | 0 | 111.5 | Q29 Q35 N36 H37 | Q29-E33 WeakPolarHBondContact O-CB 3.32Å; Q29-E33 WeakPolarHBondContact O-CG 3.45Å; Q29-E33 PolarHBondContact O-N 2.94Å; E33-Q35 PolarHBondContact O-N 3.13Å; E33-N36 WeakPolarHBondContact O-CB 3.49Å; E33-N36 PolarHBondContact O-N 3.18Å; E33-H37 PolarHBondContact O-CD2 2.91Å; E33-H37 PolarHBondContact O-N 3.24Å |
| 34 | F | 96.5 | Very high | 95.8 | Very high | 139 Ų | 139 | 87.5 Ų | 87.5 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.9 | -46.2 | 174.5 | 176.4 | -102.6 | 0 | 0 | 0 | 111.9 | Q30 R31 N36 H37 V38 | Q30-F34 WeakPolarHBondContact O-CB 3.43Å; Q30-F34 PolarHBondContact O-N 2.9Å; R31-F34 PolarHBondContact O-N 2.86Å; F34-N36 VanDerWaalsContact C-N 3.3Å; F34-N36 PolarHBondContact O-N 2.92Å; F34-H37 WeakPolarHBondContact O-CB 3.44Å; F34-H37 PolarHBondContact O-N 2.97Å; F34-H37 VanDerWaalsContact O-N 3.13Å; F34-V38 HydrophobicContact CD1-CG2 4.2Å; F34-V38 HydrophobicContact CE1-CG2 3.72Å; F34-V38 HydrophobicContact CE2-CG2 4.15Å; F34-V38 HydrophobicContact CZ-CG2 3.69Å; F34-V38 WeakPolarHBondContact O-CG2 3.31Å; F34-V38 PolarHBondContact O-N 3.24Å |
| 35 | Q | 97.3 | Very high | 96 | Very high | 94 Ų | 94 | 82.7 Ų | 82.7 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 177.7 | -174 | 60.4 | 54.8 | 0 | 0 | 112 | R31 A32 E33 H37 V38 N39 | R31-Q35 WeakPolarHBondContact O-CB 3.44Å; R31-Q35 PolarHBondContact O-N 3.13Å; A32-Q35 PolarHBondContact O-N 3.3Å; E33-Q35 PolarHBondContact O-N 3.13Å; Q35-H37 VanDerWaalsContact C-N 3.33Å; Q35-H37 PolarHBondContact O-N 3.43Å; Q35-V38 PolarHBondContact O-N 2.9Å; Q35-N39 PolarHBondContact NE2-OD1 2.91Å; Q35-N39 WeakPolarHBondContact O-CB 3.47Å; Q35-N39 PolarHBondContact O-N 3.5Å; Q35-N39 PolarHBondContact O-ND2 3.44Å |
| 36 | N | 97.2 | Very high | 96 | Very high | 106 Ų | 106 | 85.9 Ų | 85.9 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 174.4 | -72.8 | -29 | 0 | 0 | 0 | 111.5 | A32 E33 F34 N39 H40 | A32-N36 WeakPolarHBondContact O-CB 3.48Å; A32-N36 VanDerWaalsContact O-CG 3.25Å; A32-N36 PolarHBondContact O-N 2.97Å; A32-N36 PolarHBondContact O-ND2 3.39Å; E33-N36 WeakPolarHBondContact O-CB 3.49Å; E33-N36 PolarHBondContact O-N 3.18Å; F34-N36 VanDerWaalsContact C-N 3.3Å; F34-N36 PolarHBondContact O-N 2.92Å; N36-N39 PolarHBondContact O-N 3.3Å; N36-H40 WeakPolarHBondContact O-CB 3.37Å; N36-H40 PolarHBondContact O-N 3.46Å |
| 37 | H | 95 | Very high | 96 | Very high | 114 Ų | 114 | 86.4 Ų | 86.4 | 53% | 0.528 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 173.9 | -73.8 | -52.4 | 0 | 0 | 0 | 112.6 | E33 F34 Q35 H40 L41 | E33-H37 PolarHBondContact O-CD2 2.91Å; E33-H37 PolarHBondContact O-N 3.24Å; F34-H37 WeakPolarHBondContact O-CB 3.44Å; F34-H37 PolarHBondContact O-N 2.97Å; F34-H37 VanDerWaalsContact O-N 3.13Å; Q35-H37 VanDerWaalsContact C-N 3.33Å; Q35-H37 PolarHBondContact O-N 3.43Å; H37-H40 PolarHBondContact O-N 2.91Å; H37-L41 WeakPolarHBondContact O-CB 3.32Å; H37-L41 WeakPolarHBondContact O-CG 3.31Å; H37-L41 PolarHBondContact O-N 3.41Å |
| 38 | V | 97.5 | Very high | 96 | Very high | 50 Ų | 50 | 91.3 Ų | 91.3 | 30% | 0.303 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 111 | F34 Q35 H40 L41 T42 | F34-V38 HydrophobicContact CD1-CG2 4.2Å; F34-V38 HydrophobicContact CE1-CG2 3.72Å; F34-V38 HydrophobicContact CE2-CG2 4.15Å; F34-V38 HydrophobicContact CZ-CG2 3.69Å; F34-V38 WeakPolarHBondContact O-CG2 3.31Å; F34-V38 PolarHBondContact O-N 3.24Å; Q35-V38 PolarHBondContact O-N 2.9Å; V38-H40 VanDerWaalsContact C-N 3.32Å; V38-H40 PolarHBondContact O-N 3.43Å; V38-L41 PolarHBondContact O-N 3.38Å; V38-T42 WeakPolarHBondContact O-CB 3.5Å; V38-T42 PolarHBondContact O-N 2.84Å; V38-T42 PolarHBondContact O-OG1 2.74Å |
| 39 | N | 97.6 | Very high | 95.9 | Very high | 85 Ų | 85 | 87.8 Ų | 87.8 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.8 | -68.8 | -15 | 0 | 0 | 0 | 111.4 | Q35 N36 T42 S43 | Q35-N39 PolarHBondContact NE2-OD1 2.91Å; Q35-N39 WeakPolarHBondContact O-CB 3.47Å; Q35-N39 PolarHBondContact O-N 3.5Å; Q35-N39 PolarHBondContact O-ND2 3.44Å; N36-N39 PolarHBondContact O-N 3.3Å; N39-T42 PolarHBondContact O-N 3.41Å; N39-S43 PolarHBondContact O-N 3.44Å |
| 40 | H | 97.2 | Very high | 95.6 | Very high | 83 Ų | 83 | 83.5 Ų | 83.5 | 38% | 0.384 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.3 | -49.9 | 177.6 | -179 | 68.2 | 0 | 0 | 0 | 112.4 | N36 H37 V38 T42 S43 V44 Y73 | N36-H40 WeakPolarHBondContact O-CB 3.37Å; N36-H40 PolarHBondContact O-N 3.46Å; H37-H40 PolarHBondContact O-N 2.91Å; V38-H40 VanDerWaalsContact C-N 3.32Å; V38-H40 PolarHBondContact O-N 3.43Å; H40-T42 VanDerWaalsContact C-N 3.26Å; H40-T42 PolarHBondContact O-N 2.96Å; H40-S43 PolarHBondContact O-N 3.31Å; H40-V44 WeakPolarHBondContact O-CG2 3.38Å; H40-V44 PolarHBondContact O-N 2.93Å; H40-Y73 AromaticContact CD2-CZ 3.65Å; H40-Y73 PolarHBondContact CD2-OH 2.92Å; H40-Y73 AromaticContact NE2-CE2 3.73Å; H40-Y73 AromaticContact NE2-CZ 3.52Å; H40-Y73 PolarHBondContact NE2-OH 2.92Å |
| 41 | L | 97.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 80.1 Ų | 80.1 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.2 | -42 | 176.1 | -76.4 | 168.7 | 0 | 0 | 0 | 111.3 | H37 V38 V44 C45 T70 Y73 L74 | H37-L41 WeakPolarHBondContact O-CB 3.32Å; H37-L41 WeakPolarHBondContact O-CG 3.31Å; H37-L41 PolarHBondContact O-N 3.41Å; V38-L41 PolarHBondContact O-N 3.38Å; L41-V44 PolarHBondContact O-N 3.01Å; L41-C45 VanDerWaalsContact O-CB 3.27Å; L41-C45 WeakPolarHBondContact O-CB 3.44Å; L41-C45 PolarHBondContact O-N 3.31Å; L41-T70 HydrophobicContact CD1-CG2 4.31Å; L41-Y73 HydrophobicContact CD2-CD1 3.27Å; L41-Y73 HydrophobicContact CD2-CD2 4.24Å; L41-Y73 HydrophobicContact CD2-CE1 3.85Å; L41-Y73 HydrophobicContact CD2-CG 3.5Å; L41-Y73 HydrophobicContact CG-CD1 4.41Å; L41-L74 HydrophobicContact CD1-CD2 4.34Å |
| 42 | T | 96.1 | Very high | 93.7 | Very high | 84 Ų | 84 | 75.9 Ų | 75.9 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58 | -51.2 | 175.9 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | V38 N39 H40 W46 | V38-T42 WeakPolarHBondContact O-CB 3.5Å; V38-T42 PolarHBondContact O-N 2.84Å; V38-T42 PolarHBondContact O-OG1 2.74Å; N39-T42 PolarHBondContact O-N 3.41Å; H40-T42 VanDerWaalsContact C-N 3.26Å; H40-T42 PolarHBondContact O-N 2.96Å; T42-W46 WeakPolarHBondContact O-CB 3.35Å; T42-W46 PolarHBondContact O-N 2.97Å |
| 43 | S | 95.8 | Very high | 92.2 | Very high | 65 Ų | 65 | 79.4 Ų | 79.4 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.2 | -51.5 | 178.5 | -171 | 0 | 0 | 0 | 0 | 112 | N39 H40 C45 W46 D47 | N39-S43 PolarHBondContact O-N 3.44Å; H40-S43 PolarHBondContact O-N 3.31Å; S43-C45 PolarHBondContact O-N 2.94Å; S43-W46 PolarHBondContact O-N 3.33Å; S43-D47 VanDerWaalsContact O-CG 3.29Å; S43-D47 PolarHBondContact O-N 2.96Å |
| 44 | V | 96.1 | Very high | 91 | Very high | 32 Ų | 32 | 80.6 Ų | 80.6 | 19% | 0.194 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.6 | -46.1 | -176.2 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | H40 L41 K48 Y73 | H40-V44 WeakPolarHBondContact O-CG2 3.38Å; H40-V44 PolarHBondContact O-N 2.93Å; L41-V44 PolarHBondContact O-N 3.01Å; V44-K48 HydrophobicContact CG1-CD 4.26Å; V44-K48 VanDerWaalsContact O-CG 3.31Å; V44-K48 WeakPolarHBondContact O-CG 3.39Å; V44-K48 PolarHBondContact O-N 3.33Å; V44-Y73 HydrophobicContact CG1-CD2 4.33Å |
| 45 | C | 96.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.007 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -76.7 | -29.4 | -178.1 | -67 | 0 | 0 | 0 | 0 | 112.4 | L41 S43 K48 C49 I66 C69 | L41-C45 VanDerWaalsContact O-CB 3.27Å; L41-C45 WeakPolarHBondContact O-CB 3.44Å; L41-C45 PolarHBondContact O-N 3.31Å; S43-C45 PolarHBondContact O-N 2.94Å; C45-K48 PolarHBondContact O-N 3.36Å; C45-C49 WeakPolarHBondContact O-CB 3.47Å; C45-C49 PolarHBondContact O-N 3.45Å; C45-I66 HydrophobicContact CB-CG2 4.49Å; C45-C69 WeakPolarHBondContact CA-SG 3Å; C45-C69 HydrophobicContact CB-CB 3.78Å; C45-C69 WeakPolarHBondContact CB-SG 3.43Å; C45-C69 VanDerWaalsContact SG-C 3.53Å; C45-C69 WeakPolarHBondContact SG-CB 3.38Å; C45-C69 CovalentContact SG-SG 2.05Å; C45-C69 PolarHBondContact SG-SG 3.5Å |
| 46 | W | 94.2 | Very high | 88.4 | Confident | 143 Ų | 143 | 78 Ų | 78 | 54% | 0.542 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 171.6 | -170.5 | -96.8 | 0 | 0 | 0 | 111.5 | T42 S43 K48 C49 A50 A51 M58 | T42-W46 WeakPolarHBondContact O-CB 3.35Å; T42-W46 PolarHBondContact O-N 2.97Å; S43-W46 PolarHBondContact O-N 3.33Å; W46-K48 VanDerWaalsContact C-N 3.25Å; W46-K48 PolarHBondContact O-N 2.85Å; W46-C49 PolarHBondContact O-N 3.21Å; W46-A50 HydrophobicContact CD2-CB 3.5Å; W46-A50 HydrophobicContact CE3-CB 3.7Å; W46-A50 HydrophobicContact CG-CB 4.02Å; W46-A50 HydrophobicContact CH2-CB 4.06Å; W46-A50 HydrophobicContact CZ2-CB 3.87Å; W46-A50 HydrophobicContact CZ3-CB 3.98Å; W46-A50 WeakPolarHBondContact O-CA 3.48Å; W46-A50 VanDerWaalsContact O-CB 3.31Å; W46-A50 WeakPolarHBondContact O-CB 3.31Å; W46-A50 PolarHBondContact O-N 3.01Å; W46-A51 PolarHBondContact O-N 3.22Å; W46-M58 HydrophobicContact CZ3-CE 3.95Å |
| 47 | D | 93.6 | Very high | 87.5 | Confident | 103 Ų | 103 | 80.3 Ų | 80.3 | 55% | 0.551 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63 | -34.1 | 178.2 | -68.2 | -21.8 | 0 | 0 | 0 | 112.1 | S43 A51 | S43-D47 VanDerWaalsContact O-CG 3.29Å; S43-D47 PolarHBondContact O-N 2.96Å; D47-A51 VanDerWaalsContact O-CB 3.31Å; D47-A51 WeakPolarHBondContact O-CB 3.49Å |
| 48 | K | 93.8 | Very high | 87 | Confident | 150 Ų | 150 | 79.6 Ų | 79.6 | 65% | 0.652 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -78.3 | -38 | 178.9 | -72.1 | 179.4 | -171.4 | -60.5 | 0 | 114 | V44 C45 W46 | V44-K48 HydrophobicContact CG1-CD 4.26Å; V44-K48 VanDerWaalsContact O-CG 3.31Å; V44-K48 WeakPolarHBondContact O-CG 3.39Å; V44-K48 PolarHBondContact O-N 3.33Å; C45-K48 PolarHBondContact O-N 3.36Å; W46-K48 VanDerWaalsContact C-N 3.25Å; W46-K48 PolarHBondContact O-N 2.85Å |
| 49 | C | 93.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.014 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -111.6 | -23.8 | -166.5 | -66.1 | 0 | 0 | 0 | 0 | 114.2 | C45 W46 Y53 C65 I66 | C45-C49 WeakPolarHBondContact O-CB 3.47Å; C45-C49 PolarHBondContact O-N 3.45Å; W46-C49 PolarHBondContact O-N 3.21Å; C49-Y53 WeakPolarHBondContact O-CD2 3.29Å; C49-Y53 VanDerWaalsContact O-CE2 3.3Å; C49-Y53 WeakPolarHBondContact O-CE2 3.5Å; C49-C65 VanDerWaalsContact CA-SG 3.56Å; C49-C65 HydrophobicContact CB-CB 3.63Å; C49-C65 WeakPolarHBondContact CB-SG 3.42Å; C49-C65 WeakPolarHBondContact SG-CB 3.04Å; C49-C65 PolarHBondContact SG-O 3.29Å; C49-C65 CovalentContact SG-SG 2.04Å; C49-C65 PolarHBondContact SG-SG 2.91Å; C49-I66 HydrophobicContact CB-CG1 3.72Å |
| 50 | A | 87.7 | Confident | 86.2 | Confident | 14 Ų | 14 | 79.9 Ų | 79.9 | 12% | 0.116 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -31.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W46 G52 Y53 | W46-A50 HydrophobicContact CD2-CB 3.5Å; W46-A50 HydrophobicContact CE3-CB 3.7Å; W46-A50 HydrophobicContact CG-CB 4.02Å; W46-A50 HydrophobicContact CH2-CB 4.06Å; W46-A50 HydrophobicContact CZ2-CB 3.87Å; W46-A50 HydrophobicContact CZ3-CB 3.98Å; W46-A50 WeakPolarHBondContact O-CA 3.48Å; W46-A50 VanDerWaalsContact O-CB 3.31Å; W46-A50 WeakPolarHBondContact O-CB 3.31Å; W46-A50 PolarHBondContact O-N 3.01Å; A50-G52 PolarHBondContact O-N 3.49Å; A50-Y53 PolarHBondContact O-N 3.4Å |
| 51 | A | 78.2 | Confident | 85.9 | Confident | 58 Ų | 58 | 83.9 Ų | 83.9 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 132.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | W46 D47 | W46-A51 PolarHBondContact O-N 3.22Å; D47-A51 VanDerWaalsContact O-CB 3.31Å; D47-A51 WeakPolarHBondContact O-CB 3.49Å |
| 52 | G | 72.5 | Confident | 85.6 | Confident | 84 Ų | 84 | 83.3 Ų | 83.3 | 87% | 0.866 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -4.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | A50 | A50-G52 PolarHBondContact O-N 3.49Š|
| 53 | Y | 66.1 | Low | 85.4 | Confident | 122 Ų | 122 | 81.5 Ų | 81.5 | 48% | 0.478 | 47% | 0.468 | S | S | . | . | trans | -89.6 | 126.7 | 176.6 | -74 | -92.6 | 0 | 0 | 0 | 111.9 | C49 A50 S55 | C49-Y53 WeakPolarHBondContact O-CD2 3.29Å; C49-Y53 VanDerWaalsContact O-CE2 3.3Å; C49-Y53 WeakPolarHBondContact O-CE2 3.5Å; A50-Y53 PolarHBondContact O-N 3.4Å; Y53-S55 PolarHBondContact O-N 2.94Å | ||
| 54 | P | 71.4 | Confident | 85.4 | Confident | 138 Ų | 138 | 82.6 Ų | 82.6 | 90% | 0.896 | 47% | 0.469 | S | S | * | . | trans | -70.4 | -15.5 | -179.2 | 28.1 | -34.8 | 0 | 0 | 0 | 113.4 | S56 | P54-S56 PolarHBondContact O-N 3.21Š| ||
| 55 | S | 66 | Low | 85.4 | Confident | 52 Ų | 52 | 83.3 Ų | 83.3 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | trans | -78 | 122.2 | -178.1 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | Y53 K57 K62 | Y53-S55 PolarHBondContact O-N 2.94Å; S55-K57 PolarHBondContact O-N 3.49Å; S55-K57 PolarHBondContact OG-N 3.4Å; S55-K57 PolarHBondContact OG-O 3.27Å; S55-K62 PolarHBondContact O-NZ 3.21Å | ||
| 56 | S | 72.2 | Confident | 85.3 | Confident | 125 Ų | 125 | 85.3 Ų | 85.3 | 87% | 0.874 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -67.3 | -4.8 | 171.4 | 58.8 | 0 | 0 | 0 | 0 | 113.8 | P54 | P54-S56 PolarHBondContact O-N 3.21Š|
| 57 | K | 79.5 | Confident | 85.5 | Confident | 156 Ų | 156 | 83.8 Ų | 83.8 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -106.2 | 146.5 | -179.9 | -59.9 | -172.6 | 178.7 | -179.6 | 0 | 111.2 | S55 D59 K62 | S55-K57 PolarHBondContact O-N 3.49Å; S55-K57 PolarHBondContact OG-N 3.4Å; S55-K57 PolarHBondContact OG-O 3.27Å; K57-D59 PolarHBondContact O-N 3.41Å; K57-K62 PolarHBondContact O-NZ 3.03Å |
| 58 | M | 84.7 | Confident | 85.7 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 49% | 0.488 | 47% | 0.473 | S | S | . | . | trans | -72 | 99.6 | 163.5 | -173.5 | 63.6 | 71.3 | 0 | 0 | 107.5 | W46 K62 A63 I66 | W46-M58 HydrophobicContact CZ3-CE 3.95Å; M58-K62 HydrophobicContact SD-CB 3.38Å; M58-K62 WeakPolarHBondContact SD-CB 3.11Å; M58-K62 HydrophobicContact SD-CD 4.31Å; M58-A63 HydrophobicContact CG-CB 4.25Å; M58-A63 HydrophobicContact SD-CB 4.47Å; M58-I66 HydrophobicContact CE-CD1 3.47Å; M58-I66 VanDerWaalsContact CE-CD1 3.47Å; M58-I66 HydrophobicContact SD-CD1 3.92Å | ||
| 59 | D | 87 | Confident | 85.9 | Confident | 55 Ų | 55 | 75.5 Ų | 75.5 | 29% | 0.294 | 45% | 0.448 | S | S | . | . | trans | -82 | 167.7 | 171.7 | 64.9 | 47.3 | 0 | 0 | 0 | 110.9 | K57 K61 K62 A63 | K57-D59 PolarHBondContact O-N 3.41Å; D59-K61 PolarHBondContact O-N 3.26Å; D59-K61 WeakPolarHBondContact OD1-CA 3.46Å; D59-K61 WeakPolarHBondContact OD1-CB 3.26Å; D59-K61 PolarHBondContact OD1-N 3.4Å; D59-K62 PolarHBondContact O-N 2.92Å; D59-K62 WeakPolarHBondContact OD1-CG 3.31Å; D59-K62 PolarHBondContact OD1-N 3.29Å; D59-A63 PolarHBondContact O-N 2.92Å | ||
| 60 | A | 91.6 | Very high | 86.1 | Confident | 86 Ų | 86 | 77.4 Ų | 77.4 | 71% | 0.711 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60 | -29.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N64 | A60-N64 VanDerWaalsContact O-CB 3.3Å; A60-N64 WeakPolarHBondContact O-CB 3.21Å; A60-N64 PolarHBondContact O-N 3.21Å |
| 61 | K | 89.9 | Confident | 86.6 | Confident | 167 Ų | 167 | 81 Ų | 81 | 73% | 0.726 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.1 | -43 | 178.5 | -65.1 | -177.1 | 178.3 | -179.5 | 0 | 110.7 | D59 C65 | D59-K61 PolarHBondContact O-N 3.26Å; D59-K61 WeakPolarHBondContact OD1-CA 3.46Å; D59-K61 WeakPolarHBondContact OD1-CB 3.26Å; D59-K61 PolarHBondContact OD1-N 3.4Å; K61-C65 WeakPolarHBondContact O-CB 3.5Å; K61-C65 PolarHBondContact O-N 3Å |
| 62 | K | 90.8 | Very high | 87.5 | Confident | 13 Ų | 13 | 85.2 Ų | 85.2 | 6% | 0.057 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 175.5 | -66.4 | 178.9 | -173.5 | 178.2 | 0 | 111.8 | S55 K57 M58 D59 N64 C65 I66 | S55-K62 PolarHBondContact O-NZ 3.21Å; K57-K62 PolarHBondContact O-NZ 3.03Å; M58-K62 HydrophobicContact SD-CB 3.38Å; M58-K62 WeakPolarHBondContact SD-CB 3.11Å; M58-K62 HydrophobicContact SD-CD 4.31Å; D59-K62 PolarHBondContact O-N 2.92Å; D59-K62 WeakPolarHBondContact OD1-CG 3.31Å; D59-K62 PolarHBondContact OD1-N 3.29Å; K62-N64 PolarHBondContact O-N 3.39Å; K62-C65 WeakPolarHBondContact O-CB 3.3Å; K62-C65 PolarHBondContact O-N 3.47Å; K62-I66 WeakPolarHBondContact O-CG1 3.39Å; K62-I66 PolarHBondContact O-N 3.5Å |
| 63 | A | 92.6 | Very high | 88.7 | Confident | 47 Ų | 47 | 85 Ų | 85 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.3 | -50.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M58 D59 C65 I66 E67 | M58-A63 HydrophobicContact CG-CB 4.25Å; M58-A63 HydrophobicContact SD-CB 4.47Å; D59-A63 PolarHBondContact O-N 2.92Å; A63-C65 VanDerWaalsContact C-N 3.32Å; A63-C65 PolarHBondContact O-N 3.46Å; A63-I66 PolarHBondContact O-N 2.93Å; A63-E67 PolarHBondContact O-N 3.49Å |
| 64 | N | 95.4 | Very high | 90.3 | Very high | 88 Ų | 88 | 82.4 Ų | 82.4 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 176 | -175.3 | 63.6 | 0 | 0 | 0 | 112.2 | A60 K62 N68 | A60-N64 VanDerWaalsContact O-CB 3.3Å; A60-N64 WeakPolarHBondContact O-CB 3.21Å; A60-N64 PolarHBondContact O-N 3.21Å; K62-N64 PolarHBondContact O-N 3.39Å; N64-N68 PolarHBondContact ND2-ND2 3.45Å; N64-N68 WeakPolarHBondContact O-CB 3.21Å; N64-N68 PolarHBondContact O-N 2.88Å; N64-N68 PolarHBondContact O-ND2 2.84Å; N64-N68 PolarHBondContact OD1-ND2 3.16Å |
| 65 | C | 95.6 | Very high | 91.5 | Very high | 46 Ų | 46 | 79.5 Ų | 79.5 | 31% | 0.311 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.6 | -177 | 0 | 0 | 0 | 0 | 111.7 | C49 K61 K62 A63 N68 C69 | C49-C65 VanDerWaalsContact CA-SG 3.56Å; C49-C65 HydrophobicContact CB-CB 3.63Å; C49-C65 WeakPolarHBondContact CB-SG 3.42Å; C49-C65 WeakPolarHBondContact SG-CB 3.04Å; C49-C65 PolarHBondContact SG-O 3.29Å; C49-C65 CovalentContact SG-SG 2.04Å; C49-C65 PolarHBondContact SG-SG 2.91Å; K61-C65 WeakPolarHBondContact O-CB 3.5Å; K61-C65 PolarHBondContact O-N 3Å; K62-C65 WeakPolarHBondContact O-CB 3.3Å; K62-C65 PolarHBondContact O-N 3.47Å; A63-C65 VanDerWaalsContact C-N 3.32Å; A63-C65 PolarHBondContact O-N 3.46Å; C65-N68 PolarHBondContact O-N 2.89Å; C65-C69 WeakPolarHBondContact O-CB 3.27Å; C65-C69 PolarHBondContact O-N 2.98Å |
| 66 | I | 95.7 | Very high | 93 | Very high | 44 Ų | 44 | 80.8 Ų | 80.8 | 23% | 0.226 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 180 | -69.2 | 169.2 | 0 | 0 | 0 | 111 | C45 C49 M58 K62 A63 C69 T70 | C45-I66 HydrophobicContact CB-CG2 4.49Å; C49-I66 HydrophobicContact CB-CG1 3.72Å; M58-I66 HydrophobicContact CE-CD1 3.47Å; M58-I66 VanDerWaalsContact CE-CD1 3.47Å; M58-I66 HydrophobicContact SD-CD1 3.92Å; K62-I66 WeakPolarHBondContact O-CG1 3.39Å; K62-I66 PolarHBondContact O-N 3.5Å; A63-I66 PolarHBondContact O-N 2.93Å; I66-C69 PolarHBondContact O-N 3.04Å; I66-T70 WeakPolarHBondContact O-CB 3.29Å; I66-T70 PolarHBondContact O-N 3.05Å; I66-T70 PolarHBondContact O-OG1 3.4Å |
| 67 | E | 97.2 | Very high | 94.2 | Very high | 110 Ų | 110 | 75.9 Ų | 75.9 | 51% | 0.514 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.4 | -55.6 | 174.7 | -177.4 | 175.4 | -172.6 | 0 | 0 | 110.7 | A63 C69 T70 E71 | A63-E67 PolarHBondContact O-N 3.49Å; E67-C69 VanDerWaalsContact C-N 3.33Å; E67-C69 PolarHBondContact O-N 3.01Å; E67-T70 PolarHBondContact O-N 3.32Å; E67-T70 VanDerWaalsContact O-N 3.15Å; E67-E71 WeakPolarHBondContact O-CG 3.38Å; E67-E71 PolarHBondContact O-N 3.03Å |
| 68 | N | 97.8 | Very high | 95 | Very high | 60 Ų | 60 | 73.3 Ų | 73.3 | 32% | 0.321 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.8 | -40.9 | 176.9 | -77.4 | -72.5 | 0 | 0 | 0 | 112.4 | N64 C65 T70 R72 | N64-N68 PolarHBondContact ND2-ND2 3.45Å; N64-N68 WeakPolarHBondContact O-CB 3.21Å; N64-N68 PolarHBondContact O-N 2.88Å; N64-N68 PolarHBondContact O-ND2 2.84Å; N64-N68 PolarHBondContact OD1-ND2 3.16Å; C65-N68 PolarHBondContact O-N 2.89Å; N68-T70 VanDerWaalsContact C-N 3.32Å; N68-T70 PolarHBondContact O-N 3.07Å; N68-R72 VanDerWaalsContact O-CB 3.31Å; N68-R72 WeakPolarHBondContact O-CB 3.42Å; N68-R72 WeakPolarHBondContact O-CG 3.37Å; N68-R72 PolarHBondContact O-N 2.71Å |
| 69 | C | 98.1 | Very high | 95.6 | Very high | 19 Ų | 19 | 73.3 Ų | 73.3 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | C45 C65 I66 E67 Y73 | C45-C69 WeakPolarHBondContact CA-SG 3Å; C45-C69 HydrophobicContact CB-CB 3.78Å; C45-C69 WeakPolarHBondContact CB-SG 3.43Å; C45-C69 VanDerWaalsContact SG-C 3.53Å; C45-C69 WeakPolarHBondContact SG-CB 3.38Å; C45-C69 CovalentContact SG-SG 2.05Å; C45-C69 PolarHBondContact SG-SG 3.5Å; C65-C69 WeakPolarHBondContact O-CB 3.27Å; C65-C69 PolarHBondContact O-N 2.98Å; I66-C69 PolarHBondContact O-N 3.04Å; E67-C69 VanDerWaalsContact C-N 3.33Å; E67-C69 PolarHBondContact O-N 3.01Å; C69-Y73 VanDerWaalsContact O-CB 3.29Å; C69-Y73 WeakPolarHBondContact O-CB 3.41Å; C69-Y73 PolarHBondContact O-N 2.79Å |
| 70 | T | 98.2 | Very high | 96.1 | Very high | 42 Ų | 42 | 74.7 Ų | 74.7 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.9 | -49.7 | -179.9 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | L41 I66 E67 N68 R72 Y73 L74 | L41-T70 HydrophobicContact CD1-CG2 4.31Å; I66-T70 WeakPolarHBondContact O-CB 3.29Å; I66-T70 PolarHBondContact O-N 3.05Å; I66-T70 PolarHBondContact O-OG1 3.4Å; E67-T70 PolarHBondContact O-N 3.32Å; E67-T70 VanDerWaalsContact O-N 3.15Å; N68-T70 VanDerWaalsContact C-N 3.32Å; N68-T70 PolarHBondContact O-N 3.07Å; T70-R72 PolarHBondContact O-N 3.35Å; T70-Y73 PolarHBondContact O-N 3.5Å; T70-L74 HydrophobicContact CG2-CD1 4.25Å; T70-L74 WeakPolarHBondContact O-CG 3.42Å; T70-L74 PolarHBondContact O-N 3.37Å |
| 71 | E | 98.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 77 Ų | 77 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 177.5 | -69.7 | -176.8 | 166 | 0 | 0 | 111.8 | E67 Y73 L74 D75 | E67-E71 WeakPolarHBondContact O-CG 3.38Å; E67-E71 PolarHBondContact O-N 3.03Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 3.2Å; E71-L74 PolarHBondContact O-N 2.78Å; E71-L74 VanDerWaalsContact O-N 3.16Å; E71-D75 VanDerWaalsContact O-CG 3.31Å; E71-D75 PolarHBondContact O-N 3.34Å |
| 72 | R | 98 | Very high | 96.8 | Very high | 147 Ų | 147 | 72 Ų | 72 | 56% | 0.555 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.9 | -37.1 | -179.2 | -65.2 | -66.3 | 165.6 | -139.7 | -1.4 | 112.7 | N68 T70 L74 D75 V76 | N68-R72 VanDerWaalsContact O-CB 3.31Å; N68-R72 WeakPolarHBondContact O-CB 3.42Å; N68-R72 WeakPolarHBondContact O-CG 3.37Å; N68-R72 PolarHBondContact O-N 2.71Å; T70-R72 PolarHBondContact O-N 3.35Å; R72-L74 VanDerWaalsContact C-N 3.34Å; R72-D75 IonicContact CZ-OD2 4Å; R72-D75 IonicContact NH1-OD2 2.96Å; R72-D75 PolarHBondContact NH1-OD2 3.02Å; R72-V76 WeakPolarHBondContact O-CB 3.29Å; R72-V76 VanDerWaalsContact O-CG2 3.29Å; R72-V76 WeakPolarHBondContact O-CG2 3.43Å; R72-V76 PolarHBondContact O-N 3.2Å |
| 73 | Y | 98 | Very high | 97.1 | Very high | 78 Ų | 78 | 79.2 Ų | 79.2 | 31% | 0.306 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 174.8 | -175.1 | -77.6 | 0 | 0 | 0 | 110.8 | H40 L41 V44 C69 T70 E71 S77 | H40-Y73 AromaticContact CD2-CZ 3.65Å; H40-Y73 PolarHBondContact CD2-OH 2.92Å; H40-Y73 AromaticContact NE2-CE2 3.73Å; H40-Y73 AromaticContact NE2-CZ 3.52Å; H40-Y73 PolarHBondContact NE2-OH 2.92Å; L41-Y73 HydrophobicContact CD2-CD1 3.27Å; L41-Y73 HydrophobicContact CD2-CD2 4.24Å; L41-Y73 HydrophobicContact CD2-CE1 3.85Å; L41-Y73 HydrophobicContact CD2-CG 3.5Å; L41-Y73 HydrophobicContact CG-CD1 4.41Å; V44-Y73 HydrophobicContact CG1-CD2 4.33Å; C69-Y73 VanDerWaalsContact O-CB 3.29Å; C69-Y73 WeakPolarHBondContact O-CB 3.41Å; C69-Y73 PolarHBondContact O-N 2.79Å; T70-Y73 PolarHBondContact O-N 3.5Å; E71-Y73 VanDerWaalsContact C-N 3.34Å; E71-Y73 PolarHBondContact O-N 3.2Å; Y73-S77 WeakPolarHBondContact CD1-OG 3.44Å; Y73-S77 WeakPolarHBondContact CE1-OG 3.09Å; Y73-S77 WeakPolarHBondContact O-CB 3.49Å; Y73-S77 PolarHBondContact O-N 3.46Å; Y73-S77 PolarHBondContact O-OG 3.15Å |
| 74 | L | 97.6 | Very high | 97.3 | Very high | 68 Ų | 68 | 82.7 Ų | 82.7 | 36% | 0.356 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 179.1 | -68.2 | 174.1 | 0 | 0 | 0 | 111.8 | L41 T70 E71 R72 V76 S77 M78 | L41-L74 HydrophobicContact CD1-CD2 4.34Å; T70-L74 HydrophobicContact CG2-CD1 4.25Å; T70-L74 WeakPolarHBondContact O-CG 3.42Å; T70-L74 PolarHBondContact O-N 3.37Å; E71-L74 PolarHBondContact O-N 2.78Å; E71-L74 VanDerWaalsContact O-N 3.16Å; R72-L74 VanDerWaalsContact C-N 3.34Å; L74-V76 PolarHBondContact O-N 2.88Å; L74-S77 PolarHBondContact O-N 3.43Å; L74-M78 HydrophobicContact CB-CE 3.99Å; L74-M78 WeakPolarHBondContact O-CB 3.17Å; L74-M78 WeakPolarHBondContact O-CG 3.05Å; L74-M78 PolarHBondContact O-N 2.95Å |
| 75 | D | 97.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 84.8 Ų | 84.8 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -54.8 | -53.5 | 175.7 | -73 | -18.3 | 0 | 0 | 0 | 111.3 | E71 R72 S77 M78 L79 | E71-D75 VanDerWaalsContact O-CG 3.31Å; E71-D75 PolarHBondContact O-N 3.34Å; R72-D75 IonicContact CZ-OD2 4Å; R72-D75 IonicContact NH1-OD2 2.96Å; R72-D75 PolarHBondContact NH1-OD2 3.02Å; D75-S77 VanDerWaalsContact C-N 3.34Å; D75-S77 PolarHBondContact O-N 2.82Å; D75-M78 PolarHBondContact O-N 3.21Å; D75-L79 WeakPolarHBondContact O-CB 3.03Å; D75-L79 PolarHBondContact O-N 3.46Å |
| 76 | V | 97.5 | Very high | 97.3 | Very high | 79 Ų | 79 | 85.3 Ų | 85.3 | 48% | 0.479 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | -179.3 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | R72 L74 M78 L79 L80 | R72-V76 WeakPolarHBondContact O-CB 3.29Å; R72-V76 VanDerWaalsContact O-CG2 3.29Å; R72-V76 WeakPolarHBondContact O-CG2 3.43Å; R72-V76 PolarHBondContact O-N 3.2Å; L74-V76 PolarHBondContact O-N 2.88Å; V76-M78 PolarHBondContact O-N 2.97Å; V76-L79 PolarHBondContact O-N 3.17Å; V76-L80 HydrophobicContact CG1-CD1 3.87Å; V76-L80 HydrophobicContact CG1-CG 4.15Å; V76-L80 WeakPolarHBondContact O-CB 3.45Å; V76-L80 VanDerWaalsContact O-CG 3.26Å; V76-L80 WeakPolarHBondContact O-CG 3.35Å; V76-L80 PolarHBondContact O-N 2.84Å |
| 77 | S | 96.5 | Very high | 97.3 | Very high | 22 Ų | 22 | 87.9 Ų | 87.9 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.6 | -64 | 0 | 0 | 0 | 0 | 112 | Y73 L74 D75 R81 | Y73-S77 WeakPolarHBondContact CD1-OG 3.44Å; Y73-S77 WeakPolarHBondContact CE1-OG 3.09Å; Y73-S77 WeakPolarHBondContact O-CB 3.49Å; Y73-S77 PolarHBondContact O-N 3.46Å; Y73-S77 PolarHBondContact O-OG 3.15Å; L74-S77 PolarHBondContact O-N 3.43Å; D75-S77 VanDerWaalsContact C-N 3.34Å; D75-S77 PolarHBondContact O-N 2.82Å; S77-R81 WeakPolarHBondContact O-CB 3.34Å; S77-R81 VanDerWaalsContact O-CG 3.31Å; S77-R81 WeakPolarHBondContact O-CG 3.3Å; S77-R81 PolarHBondContact O-N 3.08Å |
| 78 | M | 96.9 | Very high | 97.3 | Very high | 103 Ų | 103 | 87.5 Ų | 87.5 | 51% | 0.507 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 175.5 | -74.4 | -174.9 | -127.6 | 0 | 0 | 111.9 | L74 D75 V76 R81 S82 | L74-M78 HydrophobicContact CB-CE 3.99Å; L74-M78 WeakPolarHBondContact O-CB 3.17Å; L74-M78 WeakPolarHBondContact O-CG 3.05Å; L74-M78 PolarHBondContact O-N 2.95Å; D75-M78 PolarHBondContact O-N 3.21Å; V76-M78 PolarHBondContact O-N 2.97Å; M78-R81 PolarHBondContact O-N 3.2Å; M78-S82 PolarHBondContact O-N 3.06Å |
| 79 | L | 97.9 | Very high | 97.2 | Very high | 98 Ų | 98 | 87 Ų | 87 | 51% | 0.513 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 176.4 | 176.9 | 63.2 | 0 | 0 | 0 | 111.3 | D75 V76 S82 R83 | D75-L79 WeakPolarHBondContact O-CB 3.03Å; D75-L79 PolarHBondContact O-N 3.46Å; V76-L79 PolarHBondContact O-N 3.17Å; L79-S82 PolarHBondContact O-N 3.3Å; L79-R83 HydrophobicContact CD1-CG 4.27Å; L79-R83 VanDerWaalsContact O-CG 3.29Å; L79-R83 WeakPolarHBondContact O-CG 3.31Å; L79-R83 PolarHBondContact O-N 3.38Å |
| 80 | L | 97.8 | Very high | 96.9 | Very high | 85 Ų | 85 | 91.4 Ų | 91.4 | 45% | 0.445 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.8 | -47.1 | 178.3 | -71.7 | 176.8 | 0 | 0 | 0 | 110.9 | V76 S82 R83 F84 | V76-L80 HydrophobicContact CG1-CD1 3.87Å; V76-L80 HydrophobicContact CG1-CG 4.15Å; V76-L80 WeakPolarHBondContact O-CB 3.45Å; V76-L80 VanDerWaalsContact O-CG 3.26Å; V76-L80 WeakPolarHBondContact O-CG 3.35Å; V76-L80 PolarHBondContact O-N 2.84Å; L80-S82 PolarHBondContact O-N 3.01Å; L80-R83 PolarHBondContact O-N 2.77Å; L80-F84 HydrophobicContact CB-CD2 4.27Å; L80-F84 HydrophobicContact CB-CE2 4.17Å; L80-F84 WeakPolarHBondContact O-CB 3.49Å; L80-F84 WeakPolarHBondContact O-CD2 3.01Å; L80-F84 PolarHBondContact O-N 3.22Å |
| 81 | R | 97.2 | Very high | 96.5 | Very high | 135 Ų | 135 | 96 Ų | 96 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -55.1 | -48.9 | 175.8 | -77.4 | -170.1 | -62.3 | -107.9 | 7.5 | 112.1 | S77 M78 R83 F84 Q85 | S77-R81 WeakPolarHBondContact O-CB 3.34Å; S77-R81 VanDerWaalsContact O-CG 3.31Å; S77-R81 WeakPolarHBondContact O-CG 3.3Å; S77-R81 PolarHBondContact O-N 3.08Å; M78-R81 PolarHBondContact O-N 3.2Å; R81-R83 VanDerWaalsContact C-N 3.35Å; R81-R83 PolarHBondContact O-N 2.97Å; R81-F84 PolarHBondContact O-N 2.88Å; R81-Q85 WeakPolarHBondContact O-CB 3.21Å; R81-Q85 VanDerWaalsContact O-CG 3.31Å; R81-Q85 WeakPolarHBondContact O-CG 3.31Å; R81-Q85 PolarHBondContact O-N 3.26Å |
| 82 | S | 97.2 | Very high | 95.8 | Very high | 62 Ų | 62 | 100.2 Ų | 100.2 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 178.9 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | M78 L79 L80 Q85 S86 | M78-S82 PolarHBondContact O-N 3.06Å; L79-S82 PolarHBondContact O-N 3.3Å; L80-S82 PolarHBondContact O-N 3.01Å; S82-Q85 PolarHBondContact O-N 3.32Å; S82-S86 PolarHBondContact O-N 3.27Å; S82-S86 PolarHBondContact O-OG 3.2Å |
| 83 | R | 97.2 | Very high | 94 | Very high | 163 Ų | 163 | 103.2 Ų | 103.2 | 62% | 0.615 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.9 | -44.9 | 176.3 | -69.3 | -66.3 | -175.6 | 179.2 | 0.4 | 112 | L79 L80 R81 S86 M87 | L79-R83 HydrophobicContact CD1-CG 4.27Å; L79-R83 VanDerWaalsContact O-CG 3.29Å; L79-R83 WeakPolarHBondContact O-CG 3.31Å; L79-R83 PolarHBondContact O-N 3.38Å; L80-R83 PolarHBondContact O-N 2.77Å; R81-R83 VanDerWaalsContact C-N 3.35Å; R81-R83 PolarHBondContact O-N 2.97Å; R83-S86 PolarHBondContact O-N 2.04Å; R83-M87 WeakPolarHBondContact O-CG 3.31Å; R83-M87 PolarHBondContact O-N 2.83Å |
| 84 | F | 97.6 | Very high | 93.8 | Very high | 120 Ų | 120 | 104.5 Ų | 104.5 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 175.9 | -78.4 | -63 | 0 | 0 | 0 | 111.8 | L80 R81 S86 M87 L88 | L80-F84 HydrophobicContact CB-CD2 4.27Å; L80-F84 HydrophobicContact CB-CE2 4.17Å; L80-F84 WeakPolarHBondContact O-CB 3.49Å; L80-F84 WeakPolarHBondContact O-CD2 3.01Å; L80-F84 PolarHBondContact O-N 3.22Å; R81-F84 PolarHBondContact O-N 2.88Å; F84-S86 VanDerWaalsContact C-N 3.32Å; F84-S86 PolarHBondContact O-N 2.89Å; F84-M87 HydrophobicContact CD1-CE 3.44Å; F84-M87 VanDerWaalsContact CD1-CE 3.44Å; F84-M87 HydrophobicContact CE1-CE 3.81Å; F84-M87 HydrophobicContact CG-CE 4.12Å; F84-M87 PolarHBondContact O-N 3.5Å; F84-L88 VanDerWaalsContact O-CG 3.31Å; F84-L88 WeakPolarHBondContact O-CG 3.48Å; F84-L88 PolarHBondContact O-N 3.19Å |
| 85 | Q | 96.5 | Very high | 93.6 | Very high | 133 Ų | 133 | 106.4 Ų | 106.4 | 62% | 0.621 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58.3 | -43.5 | 175.1 | -74.1 | 173 | -30.2 | 0 | 0 | 112.1 | R81 S82 L88 A89 | R81-Q85 WeakPolarHBondContact O-CB 3.21Å; R81-Q85 VanDerWaalsContact O-CG 3.31Å; R81-Q85 WeakPolarHBondContact O-CG 3.31Å; R81-Q85 PolarHBondContact O-N 3.26Å; S82-Q85 PolarHBondContact O-N 3.32Å; Q85-L88 PolarHBondContact O-N 2.05Å; Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 2.87Å |
| 86 | S | 95.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 108.1 Ų | 108.1 | 40% | 0.399 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 177 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | S82 R83 F84 A89 N90 | S82-S86 PolarHBondContact O-N 3.27Å; S82-S86 PolarHBondContact O-OG 3.2Å; R83-S86 PolarHBondContact O-N 2.04Å; F84-S86 VanDerWaalsContact C-N 3.32Å; F84-S86 PolarHBondContact O-N 2.89Å; S86-A89 PolarHBondContact O-N 3.4Å; S86-N90 VanDerWaalsContact O-CG 3.25Å; S86-N90 PolarHBondContact O-N 3.41Å; S86-N90 PolarHBondContact O-ND2 2.82Å |
| 87 | M | 95.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 109.8 Ų | 109.8 | 48% | 0.483 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.2 | -70.8 | -175 | -64.7 | 0 | 0 | 112.1 | R83 F84 N90 M91 | R83-M87 WeakPolarHBondContact O-CG 3.31Å; R83-M87 PolarHBondContact O-N 2.83Å; F84-M87 HydrophobicContact CD1-CE 3.44Å; F84-M87 VanDerWaalsContact CD1-CE 3.44Å; F84-M87 HydrophobicContact CE1-CE 3.81Å; F84-M87 HydrophobicContact CG-CE 4.12Å; F84-M87 PolarHBondContact O-N 3.5Å; M87-N90 PolarHBondContact O-N 3.43Å; M87-M91 WeakPolarHBondContact O-CG 3.31Å; M87-M91 PolarHBondContact O-N 3.31Å |
| 88 | L | 96.4 | Very high | 92.9 | Very high | 102 Ų | 102 | 115.3 Ų | 115.3 | 53% | 0.534 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62 | -42.1 | 176.5 | -69.6 | 171.7 | 0 | 0 | 0 | 111.8 | F84 Q85 N90 M91 | F84-L88 VanDerWaalsContact O-CG 3.31Å; F84-L88 WeakPolarHBondContact O-CG 3.48Å; F84-L88 PolarHBondContact O-N 3.19Å; Q85-L88 PolarHBondContact O-N 2.05Å; L88-N90 VanDerWaalsContact C-N 3.29Å; L88-N90 PolarHBondContact O-N 3.18Å; L88-M91 HydrophobicContact CD2-CE 3.63Å; L88-M91 PolarHBondContact O-N 3.48Å |
| 89 | A | 94.9 | Very high | 92.6 | Very high | 50 Ų | 50 | 116.1 Ų | 116.1 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -31.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q85 S86 Q93 | Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 2.87Å; S86-A89 PolarHBondContact O-N 3.4Å; A89-Q93 PolarHBondContact O-NE2 3.22Å |
| 90 | N | 93 | Very high | 92.3 | Very high | 110 Ų | 110 | 117.4 Ų | 117.4 | 59% | 0.588 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -77.3 | -19.9 | 176.8 | -67.4 | -17.8 | 0 | 0 | 0 | 113.3 | S86 M87 L88 | S86-N90 VanDerWaalsContact O-CG 3.25Å; S86-N90 PolarHBondContact O-N 3.41Å; S86-N90 PolarHBondContact O-ND2 2.82Å; M87-N90 PolarHBondContact O-N 3.43Å; L88-N90 VanDerWaalsContact C-N 3.29Å; L88-N90 PolarHBondContact O-N 3.18Å |
| 91 | M | 89.6 | Confident | 91.8 | Very high | 139 Ų | 139 | 119.8 Ų | 119.8 | 69% | 0.685 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -11.2 | 177.6 | -71.6 | -169.5 | -63.3 | 0 | 0 | 113.8 | M87 L88 Q93 | M87-M91 WeakPolarHBondContact O-CG 3.31Å; M87-M91 PolarHBondContact O-N 3.31Å; L88-M91 HydrophobicContact CD2-CE 3.63Å; L88-M91 PolarHBondContact O-N 3.48Å; M91-Q93 VanDerWaalsContact C-N 3.34Å |
| 92 | Q | 82.6 | Confident | 91.4 | Very high | 178 Ų | 178 | 118.6 Ų | 118.6 | 83% | 0.832 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 8.9 | 178.4 | -66.3 | -176.3 | -38.8 | 0 | 0 | 113.3 | ||
| 93 | Q | 60.5 | Low | 90.9 | Very high | 211 Ų | 211 | 123.7 Ų | 123.7 | 99% | 0.986 | 61% | 0.607 | S | S | * | * | trans | -110 | 0 | 176.2 | -66.9 | 173.6 | 50.7 | 0 | 0 | 109.8 | A89 M91 | A89-Q93 PolarHBondContact O-NE2 3.22Å; M91-Q93 VanDerWaalsContact C-N 3.34Å |
Retrieved 93 of 93 residues in 121.1 ms
(Link to these results)