| 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 | 45.7 | Very low | 40.9 | Very low | 246 Ų | 246 | 149.5 Ų | 149.5 | 100% | 1.212 | 78% | 0.775 | S | S | * | * | 0 | 64.5 | 0 | -142 | 175.6 | -146.2 | 0 | 0 | 107.9 | |||||
| 2 | V | 40.5 | Very low | 41.2 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -86.4 | 119.1 | -164.3 | 165 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3 | T | 40.7 | Very low | 41.2 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 63% | 0.632 | 77% | 0.767 | S | S | * | * | trans | 57 | 114.5 | 148.3 | 60.7 | 0 | 0 | 0 | 0 | 121.2 | Q5 | T3-Q5 PolarHBondContact O-N 3.24Š| ||
| 4 | S | 41.3 | Very low | 41.7 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -26.8 | 116.6 | 133.9 | 48.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 5 | Q | 48.9 | Very low | 42.7 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 57% | 0.565 | 76% | 0.762 | S | S | * | * | trans | -157.9 | 46.4 | 161.4 | -115.4 | 174.8 | 14.8 | 0 | 0 | 114.3 | T3 D8 | T3-Q5 PolarHBondContact O-N 3.24Å; Q5-D8 WeakPolarHBondContact CG-OD2 3.17Å | ||
| 6 | W | 40.2 | Very low | 44.7 | Very low | 244 Ų | 244 | 130 Ų | 130 | 92% | 0.924 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 10.8 | 170.9 | -70.2 | 84.3 | 0 | 0 | 0 | 114.5 | ||
| 7 | W | 42.3 | Very low | 47.2 | Very low | 197 Ų | 197 | 124.8 Ų | 124.8 | 75% | 0.746 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -7.2 | 156.8 | 44 | 2.6 | 0 | 0 | 0 | 114.2 | R9 A10 | W7-R9 VanDerWaalsContact C-N 3.26Å; W7-R9 PolarHBondContact O-N 3.15Å; W7-A10 PolarHBondContact O-N 3.46Å |
| 8 | D | 38.7 | Very low | 49.7 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 56% | 0.556 | 68% | 0.677 | S | S | * | * | trans | -90.4 | 31.2 | 179 | -69.1 | -33.2 | 0 | 0 | 0 | 114.3 | Q5 A10 | Q5-D8 WeakPolarHBondContact CG-OD2 3.17Å; D8-A10 PolarHBondContact O-N 2.98Å | ||
| 9 | R | 40 | Very low | 52 | Low | 233 Ų | 233 | 113.2 Ų | 113.2 | 88% | 0.879 | 64% | 0.642 | S | S | * | * | trans | -87.8 | 57.3 | 136.4 | -75.6 | -168.3 | 174.6 | -172.1 | -0.7 | 109.2 | W7 | W7-R9 VanDerWaalsContact C-N 3.26Å; W7-R9 PolarHBondContact O-N 3.15Å | ||
| 10 | A | 33.9 | Very low | 54.1 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | trans | -58.8 | 130.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | W7 D8 | W7-A10 PolarHBondContact O-N 3.46Å; D8-A10 PolarHBondContact O-N 2.98Å | ||
| 11 | G | 38.3 | Very low | 56.1 | Low | 79 Ų | 79 | 105 Ų | 105 | 81% | 0.814 | 60% | 0.597 | S | S | * | * | trans | 110.2 | 56.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 12 | A | 43.9 | Very low | 58.5 | Low | 82 Ų | 82 | 93.3 Ų | 93.3 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | trans | -102.4 | 92.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | A14 | A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | S | 41.1 | Very low | 61.2 | Low | 109 Ų | 109 | 90 Ų | 90 | 76% | 0.762 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.9 | 114.6 | 172.5 | 51.4 | 0 | 0 | 0 | 0 | 111 | A15 | S13-A15 VanDerWaalsContact C-N 3.29Å; S13-A15 WeakPolarHBondContact O-CA 3.48Å; S13-A15 PolarHBondContact O-N 2.79Å |
| 14 | A | 47.8 | Very low | 63.9 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 81% | 0.81 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 20.9 | 70.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A12 T16 | A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.08Å; A14-T16 PolarHBondContact O-N 3.42Å |
| 15 | A | 56.8 | Low | 66.6 | Low | 79 Ų | 79 | 85.5 Ų | 85.5 | 65% | 0.653 | 47% | 0.473 | S | S | * | . | trans | -42.6 | 107.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | S13 N17 | S13-A15 VanDerWaalsContact C-N 3.29Å; S13-A15 WeakPolarHBondContact O-CA 3.48Å; S13-A15 PolarHBondContact O-N 2.79Å; A15-N17 PolarHBondContact O-N 2.99Å | ||
| 16 | T | 75.1 | Confident | 68.9 | Low | 68 Ų | 68 | 81.6 Ų | 81.6 | 42% | 0.417 | 46% | 0.455 | S | S | . | . | trans | -57.5 | 111.5 | -175.6 | -56.4 | 0 | 0 | 0 | 0 | 106.2 | A14 T20 L21 Y24 | A14-T16 PolarHBondContact O-N 3.42Å; T16-T20 VanDerWaalsContact CG2-CB 3.49Å; T16-T20 HydrophobicContact CG2-CG2 3.44Å; T16-T20 VanDerWaalsContact CG2-CG2 3.44Å; T16-L21 HydrophobicContact CG2-CD2 4.05Å; T16-L21 HydrophobicContact CG2-CG 3.92Å; T16-Y24 HydrophobicContact CG2-CE2 4.05Å | ||
| 17 | N | 87.9 | Confident | 71.6 | Confident | 41 Ų | 41 | 74.8 Ų | 74.8 | 22% | 0.219 | 43% | 0.433 | C | S | . | . | trans | -63.9 | 161.3 | -178.3 | 63.3 | 40.5 | 0 | 0 | 0 | 109.5 | A15 T19 T20 L21 L67 | A15-N17 PolarHBondContact O-N 2.99Å; N17-T19 PolarHBondContact O-N 3.24Å; N17-T19 VanDerWaalsContact O-N 3.13Å; N17-T19 PolarHBondContact OD1-N 3.32Å; N17-T19 PolarHBondContact OD1-OG1 3.08Å; N17-T20 PolarHBondContact O-N 3.42Å; N17-T20 VanDerWaalsContact O-N 3.09Å; N17-T20 PolarHBondContact OD1-N 2.91Å; N17-T20 PolarHBondContact OD1-OG1 3.34Å; N17-L21 PolarHBondContact O-N 3.44Å; N17-L21 VanDerWaalsContact O-N 3.11Å; N17-L67 HydrophobicContact CB-CD1 4.21Å | ||
| 18 | F | 92.4 | Very high | 74.2 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.6 | -29.3 | -177.6 | 73.6 | -88.4 | 0 | 0 | 0 | 112.4 | L21 A22 L55 I63 L67 F71 | F18-L21 PolarHBondContact O-N 3.4Å; F18-A22 WeakPolarHBondContact O-CB 3.32Å; F18-A22 PolarHBondContact O-N 3.04Å; F18-L55 HydrophobicContact CB-CD2 3.74Å; F18-L55 WeakPolarHBondContact O-CD2 3.26Å; F18-I63 HydrophobicContact CZ-CG1 4.2Å; F18-L67 HydrophobicContact CD1-CD1 4.46Å; F18-L67 HydrophobicContact CE1-CD1 3.84Å; F18-F71 HydrophobicContact CE2-CE2 4.31Å; F18-F71 AromaticContact CE2-CZ 3.69Å; F18-F71 HydrophobicContact CE2-CZ 3.69Å; F18-F71 HydrophobicContact CZ-CE1 4.49Å; F18-F71 AromaticContact CZ-CE2 3.69Å; F18-F71 HydrophobicContact CZ-CE2 3.69Å; F18-F71 AromaticContact CZ-CZ 3.5Å; F18-F71 HydrophobicContact CZ-CZ 3.5Å |
| 19 | T | 93 | Very high | 77 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | N17 L21 A22 D23 F71 | N17-T19 PolarHBondContact O-N 3.24Å; N17-T19 VanDerWaalsContact O-N 3.13Å; N17-T19 PolarHBondContact OD1-N 3.32Å; N17-T19 PolarHBondContact OD1-OG1 3.08Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-A22 WeakPolarHBondContact O-CB 3.36Å; T19-A22 PolarHBondContact O-N 3.27Å; T19-D23 VanDerWaalsContact O-CG 3.24Å; T19-D23 PolarHBondContact O-N 2.83Å; T19-F71 HydrophobicContact CG2-CE2 3.83Å; T19-F71 HydrophobicContact CG2-CZ 3.68Å |
| 20 | T | 94.5 | Very high | 79.7 | Confident | 41 Ų | 41 | 54 Ų | 54 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.9 | -33.5 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | T16 N17 A22 D23 Y24 | T16-T20 VanDerWaalsContact CG2-CB 3.49Å; T16-T20 HydrophobicContact CG2-CG2 3.44Å; T16-T20 VanDerWaalsContact CG2-CG2 3.44Å; N17-T20 PolarHBondContact O-N 3.42Å; N17-T20 VanDerWaalsContact O-N 3.09Å; N17-T20 PolarHBondContact OD1-N 2.91Å; N17-T20 PolarHBondContact OD1-OG1 3.34Å; T20-A22 VanDerWaalsContact C-N 3.34Å; T20-D23 PolarHBondContact O-N 2.96Å; T20-Y24 HydrophobicContact CG2-CD2 4.34Å; T20-Y24 HydrophobicContact CG2-CE2 3.76Å; T20-Y24 VanDerWaalsContact O-CD2 3.32Å; T20-Y24 WeakPolarHBondContact O-CD2 3.48Å; T20-Y24 PolarHBondContact O-N 3.49Å; T20-Y24 VanDerWaalsContact O-N 3.07Å |
| 21 | L | 95.8 | Very high | 82.7 | Confident | 15 Ų | 15 | 52.6 Ų | 52.6 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 170.7 | -71.5 | 173 | 0 | 0 | 0 | 111.7 | T16 N17 F18 T19 Y24 C25 L54 L55 | T16-L21 HydrophobicContact CG2-CD2 4.05Å; T16-L21 HydrophobicContact CG2-CG 3.92Å; N17-L21 PolarHBondContact O-N 3.44Å; N17-L21 VanDerWaalsContact O-N 3.11Å; F18-L21 PolarHBondContact O-N 3.4Å; T19-L21 VanDerWaalsContact C-N 3.34Å; L21-Y24 HydrophobicContact CD2-CD2 4.5Å; L21-Y24 PolarHBondContact O-N 3.03Å; L21-C25 PolarHBondContact O-N 3.32Å; L21-C25 PolarHBondContact O-SG 3.11Å; L21-L54 HydrophobicContact CD1-CB 3.9Å; L21-L54 HydrophobicContact CD2-CB 4.4Å; L21-L54 HydrophobicContact CD2-CD1 4.16Å; L21-L55 HydrophobicContact CB-CD1 4.09Å; L21-L55 HydrophobicContact CB-CD2 3.65Å; L21-L55 HydrophobicContact CB-CG 3.71Å; L21-L55 HydrophobicContact CD1-CD2 4.1Å; L21-L55 HydrophobicContact CD1-CG 4.13Å |
| 22 | A | 95.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F18 T19 T20 Y24 C25 E26 A126 L129 K130 | F18-A22 WeakPolarHBondContact O-CB 3.32Å; F18-A22 PolarHBondContact O-N 3.04Å; T19-A22 WeakPolarHBondContact O-CB 3.36Å; T19-A22 PolarHBondContact O-N 3.27Å; T20-A22 VanDerWaalsContact C-N 3.34Å; A22-Y24 VanDerWaalsContact C-N 3.28Å; A22-Y24 PolarHBondContact O-N 3.45Å; A22-C25 WeakPolarHBondContact O-CB 3.34Å; A22-C25 PolarHBondContact O-N 2.89Å; A22-E26 WeakPolarHBondContact O-CG 3.44Å; A22-E26 PolarHBondContact O-N 3Å; A22-E26 VanDerWaalsContact O-N 3.08Å; A22-A126 HydrophobicContact CB-CB 4.15Å; A22-L129 HydrophobicContact CB-CB 4.39Å; A22-L129 HydrophobicContact CB-CD1 4.02Å; A22-K130 HydrophobicContact CB-CD 4.49Å; A22-K130 HydrophobicContact CB-CG 4.46Å |
| 23 | D | 96.7 | Very high | 87.8 | Confident | 62 Ų | 62 | 48.2 Ų | 48.2 | 33% | 0.332 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 176 | -60.6 | -28.7 | 0 | 0 | 0 | 111.7 | T19 T20 E26 H27 K130 | T19-D23 VanDerWaalsContact O-CG 3.24Å; T19-D23 PolarHBondContact O-N 2.83Å; T20-D23 PolarHBondContact O-N 2.96Å; D23-E26 PolarHBondContact O-N 3.19Å; D23-H27 PolarHBondContact O-N 3.29Å; D23-H27 VanDerWaalsContact O-N 3.13Å; D23-K130 IonicContact OD1-NZ 3.89Å |
| 24 | Y | 97.1 | Very high | 90.4 | Very high | 111 Ų | 111 | 49.3 Ų | 49.3 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 174.3 | -68.3 | -34.4 | 0 | 0 | 0 | 113 | T16 T20 L21 A22 E26 H27 F28 | T16-Y24 HydrophobicContact CG2-CE2 4.05Å; T20-Y24 HydrophobicContact CG2-CD2 4.34Å; T20-Y24 HydrophobicContact CG2-CE2 3.76Å; T20-Y24 VanDerWaalsContact O-CD2 3.32Å; T20-Y24 WeakPolarHBondContact O-CD2 3.48Å; T20-Y24 PolarHBondContact O-N 3.49Å; T20-Y24 VanDerWaalsContact O-N 3.07Å; L21-Y24 HydrophobicContact CD2-CD2 4.5Å; L21-Y24 PolarHBondContact O-N 3.03Å; A22-Y24 VanDerWaalsContact C-N 3.28Å; A22-Y24 PolarHBondContact O-N 3.45Å; Y24-E26 VanDerWaalsContact C-N 3.32Å; Y24-E26 PolarHBondContact O-N 3.25Å; Y24-H27 PolarHBondContact O-N 2.89Å; Y24-F28 WeakPolarHBondContact O-CD2 3.44Å; Y24-F28 VanDerWaalsContact O-CG 3.3Å; Y24-F28 WeakPolarHBondContact O-CG 3.48Å; Y24-F28 PolarHBondContact O-N 2.79Å |
| 25 | C | 97.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 175.9 | -71.5 | 0 | 0 | 0 | 0 | 111.3 | L21 A22 F28 A29 L48 C51 V122 | L21-C25 PolarHBondContact O-N 3.32Å; L21-C25 PolarHBondContact O-SG 3.11Å; A22-C25 WeakPolarHBondContact O-CB 3.34Å; A22-C25 PolarHBondContact O-N 2.89Å; C25-F28 PolarHBondContact O-N 3.03Å; C25-A29 PolarHBondContact O-N 2.97Å; C25-L48 HydrophobicContact CB-CD1 3.84Å; C25-C51 VanDerWaalsContact SG-CB 3.51Å; C25-V122 HydrophobicContact CB-CG1 3.82Å; C25-V122 WeakPolarHBondContact O-CG1 3.38Å |
| 26 | E | 97.7 | Very high | 93.8 | Very high | 38 Ų | 38 | 50.4 Ų | 50.4 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 177.7 | -64.3 | 176.7 | 138.8 | 0 | 0 | 112.1 | A22 D23 Y24 F28 A29 E30 A126 K130 | A22-E26 WeakPolarHBondContact O-CG 3.44Å; A22-E26 PolarHBondContact O-N 3Å; A22-E26 VanDerWaalsContact O-N 3.08Å; D23-E26 PolarHBondContact O-N 3.19Å; Y24-E26 VanDerWaalsContact C-N 3.32Å; Y24-E26 PolarHBondContact O-N 3.25Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.26Å; E26-A29 WeakPolarHBondContact O-CB 3.46Å; E26-A29 PolarHBondContact O-N 2.99Å; E26-A29 VanDerWaalsContact O-N 3.17Å; E26-E30 PolarHBondContact O-N 3.4Å; E26-A126 HydrophobicContact CG-CB 3.31Å; E26-A126 WeakPolarHBondContact OE1-CB 3.48Å; E26-K130 WeakPolarHBondContact OE1-CE 3.18Å; E26-K130 IonicContact OE1-NZ 2.63Å; E26-K130 PolarHBondContact OE1-NZ 3.41Å; E26-K130 IonicContact OE2-NZ 2.68Å; E26-K130 PolarHBondContact OE2-NZ 3.03Å |
| 27 | H | 97.4 | Very high | 94.4 | Very high | 102 Ų | 102 | 51 Ų | 51 | 47% | 0.472 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.8 | -36.3 | 178.1 | -178.3 | 58.2 | 0 | 0 | 0 | 112.3 | D23 Y24 E30 T31 | D23-H27 PolarHBondContact O-N 3.29Å; D23-H27 VanDerWaalsContact O-N 3.13Å; Y24-H27 PolarHBondContact O-N 2.89Å; H27-E30 IonicContact ND1-OE2 3.79Å; H27-T31 WeakPolarHBondContact O-CB 2.71Å; H27-T31 PolarHBondContact O-N 2.84Å; H27-T31 PolarHBondContact O-OG1 3.19Å |
| 28 | F | 97.3 | Very high | 94 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 172.9 | -63.4 | -41.7 | 0 | 0 | 0 | 112.2 | Y24 C25 E26 T31 I32 P44 R47 L48 | Y24-F28 WeakPolarHBondContact O-CD2 3.44Å; Y24-F28 VanDerWaalsContact O-CG 3.3Å; Y24-F28 WeakPolarHBondContact O-CG 3.48Å; Y24-F28 PolarHBondContact O-N 2.79Å; C25-F28 PolarHBondContact O-N 3.03Å; E26-F28 VanDerWaalsContact C-N 3.3Å; E26-F28 PolarHBondContact O-N 3.26Å; F28-T31 PolarHBondContact O-N 3.17Å; F28-I32 HydrophobicContact CB-CD1 4.5Å; F28-I32 WeakPolarHBondContact O-CB 3.36Å; F28-I32 VanDerWaalsContact O-CD1 3.28Å; F28-I32 WeakPolarHBondContact O-CD1 3.36Å; F28-I32 WeakPolarHBondContact O-CG1 3.28Å; F28-I32 PolarHBondContact O-N 3.43Å; F28-P44 HydrophobicContact CD1-CB 4.32Å; F28-R47 HydrophobicContact CD1-CB 4.31Å; F28-R47 HydrophobicContact CD2-CB 4.12Å; F28-R47 HydrophobicContact CE1-CB 4.04Å; F28-R47 HydrophobicContact CE2-CB 3.8Å; F28-R47 HydrophobicContact CG-CB 4.39Å; F28-R47 HydrophobicContact CZ-CB 3.78Å; F28-R47 VanDerWaalsContact CZ-NE 3.34Å; F28-L48 HydrophobicContact CB-CB 3.96Å; F28-L48 HydrophobicContact CB-CD1 4.48Å; F28-L48 HydrophobicContact CD2-CB 4.32Å; F28-L48 HydrophobicContact CG-CB 4.47Å |
| 29 | A | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C25 E26 T31 I32 I33 C119 V122 W123 | C25-A29 PolarHBondContact O-N 2.97Å; E26-A29 WeakPolarHBondContact O-CB 3.46Å; E26-A29 PolarHBondContact O-N 2.99Å; E26-A29 VanDerWaalsContact O-N 3.17Å; A29-T31 PolarHBondContact O-N 3.29Å; A29-I32 PolarHBondContact O-N 3.18Å; A29-I33 WeakPolarHBondContact O-CG2 3.48Å; A29-I33 PolarHBondContact O-N 2.97Å; A29-C119 HydrophobicContact CB-CB 4.11Å; A29-C119 PolarHBondContact O-SG 3.4Å; A29-C119 VanDerWaalsContact O-SG 3.38Å; A29-V122 HydrophobicContact CB-CB 4.11Å; A29-V122 HydrophobicContact CB-CG1 3.79Å; A29-W123 HydrophobicContact CB-CZ2 4.47Å |
| 30 | E | 97 | Very high | 93.4 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 173.1 | -174.5 | 178.5 | -148.3 | 0 | 0 | 111.6 | E26 H27 I32 I33 E34 | E26-E30 PolarHBondContact O-N 3.4Å; H27-E30 IonicContact ND1-OE2 3.79Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.5Å; E30-I33 VanDerWaalsContact O-CG2 3.28Å; E30-I33 WeakPolarHBondContact O-CG2 3.36Å; E30-I33 PolarHBondContact O-N 3.01Å; E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 WeakPolarHBondContact O-CG 3.22Å; E30-E34 PolarHBondContact O-N 2.91Å; E30-E34 VanDerWaalsContact O-N 3.15Å |
| 31 | T | 96.4 | Very high | 93.2 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 33% | 0.325 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -38 | 177.2 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | H27 F28 A29 C35 P44 | H27-T31 WeakPolarHBondContact O-CB 2.71Å; H27-T31 PolarHBondContact O-N 2.84Å; H27-T31 PolarHBondContact O-OG1 3.19Å; F28-T31 PolarHBondContact O-N 3.17Å; A29-T31 PolarHBondContact O-N 3.29Å; T31-C35 VanDerWaalsContact O-CB 3.22Å; T31-C35 WeakPolarHBondContact O-CB 3.49Å; T31-C35 PolarHBondContact O-N 3.06Å; T31-P44 HydrophobicContact CG2-CB 4.1Å; T31-P44 HydrophobicContact CG2-CG 4.1Å |
| 32 | I | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.4 | -43.7 | -178.3 | -72.8 | 160 | 0 | 0 | 0 | 111.1 | F28 A29 E30 C35 P44 C45 L48 T115 | F28-I32 HydrophobicContact CB-CD1 4.5Å; F28-I32 WeakPolarHBondContact O-CB 3.36Å; F28-I32 VanDerWaalsContact O-CD1 3.28Å; F28-I32 WeakPolarHBondContact O-CD1 3.36Å; F28-I32 WeakPolarHBondContact O-CG1 3.28Å; F28-I32 PolarHBondContact O-N 3.43Å; A29-I32 PolarHBondContact O-N 3.18Å; E30-I32 VanDerWaalsContact C-N 3.31Å; E30-I32 PolarHBondContact O-N 3.5Å; I32-C35 PolarHBondContact O-N 3.3Å; I32-P44 HydrophobicContact CD1-CB 4.33Å; I32-P44 HydrophobicContact CG1-CB 3.81Å; I32-P44 HydrophobicContact CG1-CG 3.82Å; I32-C45 HydrophobicContact CD1-CB 4.38Å; I32-L48 HydrophobicContact CD1-CB 4.3Å; I32-L48 HydrophobicContact CD1-CD2 3.68Å; I32-T115 HydrophobicContact CG2-CG2 3.5Å; I32-T115 VanDerWaalsContact CG2-CG2 3.5Å |
| 33 | I | 94.4 | Very high | 92.8 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 35% | 0.349 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.5 | -34.5 | -177.3 | -162.8 | 66.6 | 0 | 0 | 0 | 112 | A29 E30 T115 C119 W123 | A29-I33 WeakPolarHBondContact O-CG2 3.48Å; A29-I33 PolarHBondContact O-N 2.97Å; E30-I33 VanDerWaalsContact O-CG2 3.28Å; E30-I33 WeakPolarHBondContact O-CG2 3.36Å; E30-I33 PolarHBondContact O-N 3.01Å; I33-T115 HydrophobicContact CD1-CG2 4.32Å; I33-C119 HydrophobicContact CB-CB 4.42Å; I33-C119 HydrophobicContact CD1-CB 4.5Å; I33-W123 HydrophobicContact CG2-CH2 4.05Å; I33-W123 HydrophobicContact CG2-CZ2 4.19Å |
| 34 | E | 94.4 | Very high | 92.7 | Very high | 132 Ų | 132 | 60.3 Ų | 60.3 | 62% | 0.617 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -78.5 | -22.2 | 177.2 | -68.1 | -175 | 159.8 | 0 | 0 | 113.2 | E30 H36 | E30-E34 WeakPolarHBondContact O-CB 3.39Å; E30-E34 WeakPolarHBondContact O-CG 3.22Å; E30-E34 PolarHBondContact O-N 2.91Å; E30-E34 VanDerWaalsContact O-N 3.15Å; E34-H36 PolarHBondContact O-N 2.81Å |
| 35 | C | 90.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | trans | -77 | 127 | 179.9 | -169 | 0 | 0 | 0 | 0 | 110.4 | T31 I32 D37 K41 | T31-C35 VanDerWaalsContact O-CB 3.22Å; T31-C35 WeakPolarHBondContact O-CB 3.49Å; T31-C35 PolarHBondContact O-N 3.06Å; I32-C35 PolarHBondContact O-N 3.3Å; C35-D37 PolarHBondContact SG-O 3.17Å; C35-D37 VanDerWaalsContact SG-O 3.42Å; C35-K41 HydrophobicContact CB-CG 3.71Å; C35-K41 WeakPolarHBondContact O-CE 3.3Å | ||
| 36 | H | 86.5 | Confident | 92.5 | Very high | 176 Ų | 176 | 56.3 Ų | 56.3 | 82% | 0.815 | 31% | 0.307 | S | S | * | . | trans | -101.3 | -8.8 | 175.2 | -58.9 | -46.5 | 0 | 0 | 0 | 113.4 | E34 | E34-H36 PolarHBondContact O-N 2.81Š| ||
| 37 | D | 87.5 | Confident | 92.5 | Very high | 80 Ų | 80 | 61.7 Ų | 61.7 | 43% | 0.428 | 33% | 0.326 | S | S | . | . | trans | -93.1 | 114.9 | 178.3 | -175.2 | -59.3 | 0 | 0 | 0 | 110.4 | C35 A39 L40 K41 | C35-D37 PolarHBondContact SG-O 3.17Å; C35-D37 VanDerWaalsContact SG-O 3.42Å; D37-A39 VanDerWaalsContact C-N 3.28Å; D37-A39 PolarHBondContact O-N 3.07Å; D37-A39 WeakPolarHBondContact OD1-CA 3.24Å; D37-A39 WeakPolarHBondContact OD1-CB 3.32Å; D37-A39 PolarHBondContact OD1-N 3.31Å; D37-L40 HydrophobicContact CB-CB 4.04Å; D37-L40 HydrophobicContact CB-CD1 3.94Å; D37-L40 HydrophobicContact CB-CG 3.97Å; D37-L40 PolarHBondContact O-N 3.36Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-L40 PolarHBondContact OD1-N 3.13Å; D37-K41 WeakPolarHBondContact O-CG 3.49Å; D37-K41 PolarHBondContact O-N 2.87Å | ||
| 38 | L | 79.4 | Confident | 92.5 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.6 | -38.1 | -179.7 | 173.4 | 56.1 | 0 | 0 | 0 | 113.1 | E111 | L38-E111 WeakPolarHBondContact CD1-OE1 3.2Å; L38-E111 WeakPolarHBondContact CD1-OE2 3.48Å |
| 39 | A | 84 | Confident | 92.4 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 51% | 0.512 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.4 | -38.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D37 M42 | D37-A39 VanDerWaalsContact C-N 3.28Å; D37-A39 PolarHBondContact O-N 3.07Å; D37-A39 WeakPolarHBondContact OD1-CA 3.24Å; D37-A39 WeakPolarHBondContact OD1-CB 3.32Å; D37-A39 PolarHBondContact OD1-N 3.31Å; A39-M42 WeakPolarHBondContact O-CB 3Å; A39-M42 PolarHBondContact O-N 3.45Å |
| 40 | L | 89 | Confident | 92.4 | Very high | 117 Ų | 117 | 61.3 Ų | 61.3 | 61% | 0.613 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -71 | -32.9 | 177.6 | -63.2 | -178.3 | 0 | 0 | 0 | 112.7 | D37 M42 P44 | D37-L40 HydrophobicContact CB-CB 4.04Å; D37-L40 HydrophobicContact CB-CD1 3.94Å; D37-L40 HydrophobicContact CB-CG 3.97Å; D37-L40 PolarHBondContact O-N 3.36Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-L40 PolarHBondContact OD1-N 3.13Å; L40-M42 PolarHBondContact O-N 3.06Å; L40-P44 WeakPolarHBondContact O-CD 3.34Å |
| 41 | K | 89.1 | Confident | 92.3 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 9% | 0.087 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -26.4 | 174.7 | -76.1 | -179.7 | -171.5 | 177.6 | 0 | 114.3 | C35 D37 A43 P44 C45 E111 | C35-K41 HydrophobicContact CB-CG 3.71Å; C35-K41 WeakPolarHBondContact O-CE 3.3Å; D37-K41 WeakPolarHBondContact O-CG 3.49Å; D37-K41 PolarHBondContact O-N 2.87Å; K41-A43 VanDerWaalsContact C-N 3.31Å; K41-A43 PolarHBondContact O-N 3.48Å; K41-P44 WeakPolarHBondContact O-CD 3.28Å; K41-P44 VanDerWaalsContact O-CG 3.28Å; K41-P44 WeakPolarHBondContact O-CG 3.3Å; K41-C45 WeakPolarHBondContact O-CB 3.44Å; K41-C45 PolarHBondContact O-N 3.17Å; K41-C45 PolarHBondContact O-SG 3.47Å; K41-E111 IonicContact NZ-OE1 3.26Å; K41-E111 PolarHBondContact NZ-OE1 2.95Å |
| 42 | M | 90.2 | Very high | 92.4 | Very high | 56 Ų | 56 | 55 Ų | 55 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | -175 | -69.9 | -62.3 | -65.2 | 0 | 0 | 113 | A39 L40 G46 L102 R104 | A39-M42 WeakPolarHBondContact O-CB 3Å; A39-M42 PolarHBondContact O-N 3.45Å; L40-M42 PolarHBondContact O-N 3.06Å; M42-G46 PolarHBondContact O-N 3.27Å; M42-L102 HydrophobicContact CE-CB 4.07Å; M42-L102 HydrophobicContact CE-CD2 3.37Å; M42-L102 HydrophobicContact CE-CG 4.33Å; M42-L102 WeakPolarHBondContact CE-O 3.35Å; M42-L102 HydrophobicContact SD-CD2 3.88Å; M42-R104 HydrophobicContact CE-CG 4.44Å; M42-R104 HydrophobicContact SD-CG 4.06Å |
| 43 | A | 94.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.2 | -53.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K41 G46 R47 | K41-A43 VanDerWaalsContact C-N 3.31Å; K41-A43 PolarHBondContact O-N 3.48Å; A43-G46 PolarHBondContact O-N 2.91Å; A43-R47 WeakPolarHBondContact O-CG 3.11Å; A43-R47 PolarHBondContact O-N 3.27Å |
| 44 | P | 94.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -34.9 | 176 | 27.8 | -35.6 | 0 | 0 | 0 | 112.5 | F28 T31 I32 L40 K41 G46 R47 L48 | F28-P44 HydrophobicContact CD1-CB 4.32Å; T31-P44 HydrophobicContact CG2-CB 4.1Å; T31-P44 HydrophobicContact CG2-CG 4.1Å; I32-P44 HydrophobicContact CD1-CB 4.33Å; I32-P44 HydrophobicContact CG1-CB 3.81Å; I32-P44 HydrophobicContact CG1-CG 3.82Å; L40-P44 WeakPolarHBondContact O-CD 3.34Å; K41-P44 WeakPolarHBondContact O-CD 3.28Å; K41-P44 VanDerWaalsContact O-CG 3.28Å; K41-P44 WeakPolarHBondContact O-CG 3.3Å; P44-G46 VanDerWaalsContact C-N 3.33Å; P44-G46 PolarHBondContact O-N 2.85Å; P44-R47 PolarHBondContact O-N 3.41Å; P44-L48 VanDerWaalsContact O-CB 3.3Å; P44-L48 WeakPolarHBondContact O-CB 3.36Å; P44-L48 PolarHBondContact O-N 3.42Å |
| 45 | C | 95.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 172.8 | -74.1 | 0 | 0 | 0 | 0 | 112.6 | I32 K41 S49 L102 | I32-C45 HydrophobicContact CD1-CB 4.38Å; K41-C45 WeakPolarHBondContact O-CB 3.44Å; K41-C45 PolarHBondContact O-N 3.17Å; K41-C45 PolarHBondContact O-SG 3.47Å; C45-S49 WeakPolarHBondContact O-CB 3.45Å; C45-S49 PolarHBondContact O-N 3.34Å; C45-S49 PolarHBondContact O-OG 2.66Å; C45-L102 HydrophobicContact CB-CD2 3.71Å; C45-L102 HydrophobicContact CB-CG 4.13Å |
| 46 | G | 95.5 | Very high | 92.6 | Very high | 23 Ų | 23 | 57.1 Ų | 57.1 | 24% | 0.237 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | M42 A43 P44 S49 T50 | M42-G46 PolarHBondContact O-N 3.27Å; A43-G46 PolarHBondContact O-N 2.91Å; P44-G46 VanDerWaalsContact C-N 3.33Å; P44-G46 PolarHBondContact O-N 2.85Å; G46-S49 PolarHBondContact O-N 3.17Å; G46-T50 PolarHBondContact O-N 3.26Å; G46-T50 PolarHBondContact O-OG1 2.96Å |
| 47 | R | 97 | Very high | 92.9 | Very high | 151 Ų | 151 | 53 Ų | 53 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 175.6 | -69.3 | 174.8 | 72.4 | -170.3 | 1.2 | 111.7 | F28 A43 P44 T50 C51 | F28-R47 HydrophobicContact CD1-CB 4.31Å; F28-R47 HydrophobicContact CD2-CB 4.12Å; F28-R47 HydrophobicContact CE1-CB 4.04Å; F28-R47 HydrophobicContact CE2-CB 3.8Å; F28-R47 HydrophobicContact CG-CB 4.39Å; F28-R47 HydrophobicContact CZ-CB 3.78Å; F28-R47 VanDerWaalsContact CZ-NE 3.34Å; A43-R47 WeakPolarHBondContact O-CG 3.11Å; A43-R47 PolarHBondContact O-N 3.27Å; P44-R47 PolarHBondContact O-N 3.41Å; R47-T50 WeakPolarHBondContact O-CB 3.46Å; R47-T50 PolarHBondContact O-N 2.81Å; R47-T50 VanDerWaalsContact O-N 3.17Å; R47-C51 PolarHBondContact O-N 3.45Å |
| 48 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.3 | -49.5 | 172.8 | 174.5 | 61.8 | 0 | 0 | 0 | 111.1 | C25 F28 I32 P44 T50 C51 L52 L118 V122 | C25-L48 HydrophobicContact CB-CD1 3.84Å; F28-L48 HydrophobicContact CB-CB 3.96Å; F28-L48 HydrophobicContact CB-CD1 4.48Å; F28-L48 HydrophobicContact CD2-CB 4.32Å; F28-L48 HydrophobicContact CG-CB 4.47Å; I32-L48 HydrophobicContact CD1-CB 4.3Å; I32-L48 HydrophobicContact CD1-CD2 3.68Å; P44-L48 VanDerWaalsContact O-CB 3.3Å; P44-L48 WeakPolarHBondContact O-CB 3.36Å; P44-L48 PolarHBondContact O-N 3.42Å; L48-T50 PolarHBondContact O-N 3.01Å; L48-C51 PolarHBondContact O-N 2.89Å; L48-C51 VanDerWaalsContact O-N 3.11Å; L48-L52 HydrophobicContact CD1-CD1 4.05Å; L48-L52 HydrophobicContact CD1-CG 4.11Å; L48-L52 HydrophobicContact CG-CD1 3.95Å; L48-L52 HydrophobicContact CG-CG 4.45Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.15Å; L48-L118 HydrophobicContact CD2-CD1 4.3Å; L48-L118 HydrophobicContact CD2-CD2 3.9Å; L48-L118 HydrophobicContact CD2-CG 4.17Å; L48-V122 HydrophobicContact CD1-CG1 4.01Å; L48-V122 HydrophobicContact CD1-CG2 3.97Å; L48-V122 HydrophobicContact CD2-CG2 3.99Å; L48-V122 HydrophobicContact CG-CG2 4.47Å |
| 49 | S | 96.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.4 | -39.6 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 112 | C45 G46 A53 L95 A98 | C45-S49 WeakPolarHBondContact O-CB 3.45Å; C45-S49 PolarHBondContact O-N 3.34Å; C45-S49 PolarHBondContact O-OG 2.66Å; G46-S49 PolarHBondContact O-N 3.17Å; S49-A53 WeakPolarHBondContact O-CB 3.48Å; S49-A53 PolarHBondContact O-N 2.93Å; S49-L95 WeakPolarHBondContact O-CD2 3.35Å; S49-A98 VanDerWaalsContact OG-CB 3.24Å; S49-A98 WeakPolarHBondContact OG-CB 3.27Å |
| 50 | T | 96 | Very high | 93.9 | Very high | 83 Ų | 83 | 50.8 Ų | 50.8 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 176.7 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | G46 R47 L48 A53 L54 | G46-T50 PolarHBondContact O-N 3.26Å; G46-T50 PolarHBondContact O-OG1 2.96Å; R47-T50 WeakPolarHBondContact O-CB 3.46Å; R47-T50 PolarHBondContact O-N 2.81Å; R47-T50 VanDerWaalsContact O-N 3.17Å; L48-T50 PolarHBondContact O-N 3.01Å; T50-A53 PolarHBondContact O-N 3.47Å; T50-L54 HydrophobicContact CG2-CD1 4.4Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 3.24Å |
| 51 | C | 96.5 | Very high | 94 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 9% | 0.088 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 177.2 | -75 | 0 | 0 | 0 | 0 | 112.3 | C25 R47 L48 A53 L54 L55 | C25-C51 VanDerWaalsContact SG-CB 3.51Å; R47-C51 PolarHBondContact O-N 3.45Å; L48-C51 PolarHBondContact O-N 2.89Å; L48-C51 VanDerWaalsContact O-N 3.11Å; C51-A53 PolarHBondContact O-N 3.15Å; C51-L54 WeakPolarHBondContact O-CB 3.21Å; C51-L54 PolarHBondContact O-N 2.9Å; C51-L55 WeakPolarHBondContact O-CG 3.28Å; C51-L55 PolarHBondContact O-N 3.2Å |
| 52 | L | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 174.6 | -69 | 167.3 | 0 | 0 | 0 | 111.5 | L48 L54 L55 R56 C94 L95 F125 | L48-L52 HydrophobicContact CD1-CD1 4.05Å; L48-L52 HydrophobicContact CD1-CG 4.11Å; L48-L52 HydrophobicContact CG-CD1 3.95Å; L48-L52 HydrophobicContact CG-CG 4.45Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.15Å; L52-L54 VanDerWaalsContact C-N 3.27Å; L52-L54 PolarHBondContact O-N 3.35Å; L52-L55 PolarHBondContact O-N 3.49Å; L52-L55 VanDerWaalsContact O-N 3.15Å; L52-R56 PolarHBondContact O-N 3.43Å; L52-C94 HydrophobicContact CD1-CB 3.58Å; L52-C94 HydrophobicContact CD2-CB 3.96Å; L52-C94 HydrophobicContact CG-CB 4.43Å; L52-L95 HydrophobicContact CB-CD2 3.59Å; L52-L95 HydrophobicContact CB-CG 3.82Å; L52-L95 HydrophobicContact CD1-CD2 4.3Å; L52-L95 HydrophobicContact CD1-CG 4.35Å; L52-F125 HydrophobicContact CD2-CD1 3.95Å; L52-F125 HydrophobicContact CD2-CE1 3.76Å |
| 53 | A | 95.5 | Very high | 94.1 | Very high | 55 Ų | 55 | 54.5 Ų | 54.5 | 46% | 0.455 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -31.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | S49 T50 C51 P57 | S49-A53 WeakPolarHBondContact O-CB 3.48Å; S49-A53 PolarHBondContact O-N 2.93Å; T50-A53 PolarHBondContact O-N 3.47Å; C51-A53 PolarHBondContact O-N 3.15Å; A53-P57 WeakPolarHBondContact O-CD 3.34Å |
| 54 | L | 95.6 | Very high | 93.9 | Very high | 95 Ų | 95 | 53.3 Ų | 53.3 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74.4 | -33.1 | 173.2 | -70 | 172 | 0 | 0 | 0 | 112.8 | L21 T50 C51 L52 P57 | L21-L54 HydrophobicContact CD1-CB 3.9Å; L21-L54 HydrophobicContact CD2-CB 4.4Å; L21-L54 HydrophobicContact CD2-CD1 4.16Å; T50-L54 HydrophobicContact CG2-CD1 4.4Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 3.24Å; C51-L54 WeakPolarHBondContact O-CB 3.21Å; C51-L54 PolarHBondContact O-N 2.9Å; L52-L54 VanDerWaalsContact C-N 3.27Å; L52-L54 PolarHBondContact O-N 3.35Å; L54-P57 WeakPolarHBondContact O-CD 3.49Å; L54-P57 WeakPolarHBondContact O-CG 3.5Å |
| 55 | L | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.9 | -38.5 | 176.4 | -82 | 167.9 | 0 | 0 | 0 | 112.4 | F18 L21 C51 L52 T58 L59 F125 L129 | F18-L55 HydrophobicContact CB-CD2 3.74Å; F18-L55 WeakPolarHBondContact O-CD2 3.26Å; L21-L55 HydrophobicContact CB-CD1 4.09Å; L21-L55 HydrophobicContact CB-CD2 3.65Å; L21-L55 HydrophobicContact CB-CG 3.71Å; L21-L55 HydrophobicContact CD1-CD2 4.1Å; L21-L55 HydrophobicContact CD1-CG 4.13Å; C51-L55 WeakPolarHBondContact O-CG 3.28Å; C51-L55 PolarHBondContact O-N 3.2Å; L52-L55 PolarHBondContact O-N 3.49Å; L52-L55 VanDerWaalsContact O-N 3.15Å; L55-T58 WeakPolarHBondContact O-CA 3.46Å; L55-T58 WeakPolarHBondContact O-CB 3.43Å; L55-T58 PolarHBondContact O-N 2.88Å; L55-T58 PolarHBondContact O-OG1 3.41Å; L55-L59 PolarHBondContact O-N 3.02Å; L55-F125 HydrophobicContact CD1-CE1 3.88Å; L55-L129 HydrophobicContact CD1-CD1 4.04Å; L55-L129 HydrophobicContact CD2-CD1 3.95Å |
| 56 | R | 94.6 | Very high | 93.4 | Very high | 117 Ų | 117 | 64.2 Ų | 64.2 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -46.2 | -50.9 | -176.6 | -167.5 | 176.8 | -171.7 | -74.3 | -5.8 | 114.4 | L52 T58 L59 D92 | L52-R56 PolarHBondContact O-N 3.43Å; R56-T58 PolarHBondContact O-N 2.99Å; R56-L59 PolarHBondContact O-N 2.93Å; R56-D92 IonicContact CZ-OD1 3.65Å; R56-D92 IonicContact NE-OD1 3.53Å; R56-D92 PolarHBondContact NE-OD1 2.91Å; R56-D92 IonicContact NH2-OD1 3.4Å; R56-D92 IonicContact NH2-OD2 3.66Å; R56-D92 PolarHBondContact NH2-OD2 3.37Å |
| 57 | P | 92.1 | Very high | 93.2 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 58% | 0.584 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -68.2 | -13.3 | 178.5 | 28.1 | -37.1 | 0 | 0 | 0 | 114.4 | A53 L54 | A53-P57 WeakPolarHBondContact O-CD 3.34Å; L54-P57 WeakPolarHBondContact O-CD 3.49Å; L54-P57 WeakPolarHBondContact O-CG 3.5Å |
| 58 | T | 92.1 | Very high | 92.9 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -93.4 | -10.2 | -177.4 | 71 | 0 | 0 | 0 | 0 | 114.1 | L55 R56 G60 E61 | L55-T58 WeakPolarHBondContact O-CA 3.46Å; L55-T58 WeakPolarHBondContact O-CB 3.43Å; L55-T58 PolarHBondContact O-N 2.88Å; L55-T58 PolarHBondContact O-OG1 3.41Å; R56-T58 PolarHBondContact O-N 2.99Å; T58-G60 VanDerWaalsContact C-N 3.33Å; T58-G60 PolarHBondContact O-N 3.36Å; T58-E61 WeakPolarHBondContact O-CB 3.33Å; T58-E61 PolarHBondContact O-N 2.99Å; T58-E61 VanDerWaalsContact O-N 3.13Å |
| 59 | L | 91.6 | Very high | 92.5 | Very high | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -32.1 | -170.5 | -61.3 | 179.4 | 0 | 0 | 0 | 113.7 | L55 R56 A87 C91 F125 L129 | L55-L59 PolarHBondContact O-N 3.02Å; R56-L59 PolarHBondContact O-N 2.93Å; L59-A87 HydrophobicContact CD1-CB 4.4Å; L59-A87 HydrophobicContact CD2-CB 4.42Å; L59-C91 HydrophobicContact CD1-CB 3.74Å; L59-F125 HydrophobicContact CD1-CE2 4.32Å; L59-F125 HydrophobicContact CD1-CZ 4.22Å; L59-F125 HydrophobicContact CD2-CE2 4.02Å; L59-F125 HydrophobicContact CD2-CZ 3.82Å; L59-L129 HydrophobicContact CD2-CD2 3.51Å |
| 60 | G | 88.7 | Confident | 92.3 | Very high | 69 Ų | 69 | 71.7 Ų | 71.7 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T58 | T58-G60 VanDerWaalsContact C-N 3.33Å; T58-G60 PolarHBondContact O-N 3.36Å |
| 61 | E | 91.3 | Very high | 92.1 | Very high | 132 Ų | 132 | 67.9 Ų | 67.9 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -80.9 | 144.3 | -177.5 | -64.8 | -61.4 | 150.3 | 0 | 0 | 110.8 | T58 | T58-E61 WeakPolarHBondContact O-CB 3.33Å; T58-E61 PolarHBondContact O-N 2.99Å; T58-E61 VanDerWaalsContact O-N 3.13Å |
| 62 | P | 90.4 | Very high | 92 | Very high | 104 Ų | 104 | 68 Ų | 68 | 68% | 0.675 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 145 | 176.4 | 27.7 | -34.4 | 0 | 0 | 0 | 110.6 | P64 | P62-P64 WeakPolarHBondContact O-CD 3.39Š|
| 63 | I | 90.2 | Very high | 91.7 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 18% | 0.179 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 126.6 | 175.7 | -67.1 | 174.2 | 0 | 0 | 0 | 109.2 | F18 L67 F71 R133 W134 | F18-I63 HydrophobicContact CZ-CG1 4.2Å; I63-L67 HydrophobicContact CG2-CB 3.89Å; I63-F71 HydrophobicContact CD1-CD1 4.13Å; I63-F71 HydrophobicContact CD1-CD2 4.22Å; I63-F71 HydrophobicContact CD1-CE1 4.41Å; I63-F71 HydrophobicContact CD1-CG 4.03Å; I63-F71 HydrophobicContact CG2-CD2 4.04Å; I63-F71 HydrophobicContact CG2-CE2 4.36Å; I63-R133 HydrophobicContact CD1-CB 4.29Å; I63-R133 HydrophobicContact CD1-CG 3.63Å; I63-W134 HydrophobicContact CB-CH2 3.99Å; I63-W134 HydrophobicContact CB-CZ3 4.44Å; I63-W134 HydrophobicContact CD1-CH2 3.76Å; I63-W134 HydrophobicContact CD1-CZ3 3.81Å; I63-W134 HydrophobicContact CG1-CH2 4.36Å; I63-W134 HydrophobicContact CG2-CH2 4.33Å; I63-W134 HydrophobicContact CG2-CZ3 4.34Å |
| 64 | P | 90.3 | Very high | 91.6 | Very high | 40 Ų | 40 | 72.5 Ų | 72.5 | 26% | 0.26 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 139.9 | 177.6 | -28.5 | 34.5 | 0 | 0 | 0 | 112.4 | P62 H66 L67 | P62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-H66 WeakPolarHBondContact CB-CE1 3.45Å; P64-H66 PolarHBondContact O-N 3.01Å; P64-H66 VanDerWaalsContact O-N 3.07Å; P64-L67 HydrophobicContact CB-CD1 4.37Å; P64-L67 HydrophobicContact CB-CG 4.4Å; P64-L67 HydrophobicContact CG-CD1 4.15Å; P64-L67 PolarHBondContact O-N 3.5Å |
| 65 | P | 89.1 | Confident | 91.2 | Very high | 109 Ų | 109 | 73.6 Ų | 73.6 | 71% | 0.708 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -54.5 | -36 | -175 | -29.8 | 35.3 | 0 | 0 | 0 | 114.8 | L67 I68 | P65-L67 PolarHBondContact O-N 3.23Å; P65-I68 HydrophobicContact CB-CD1 4.47Å; P65-I68 PolarHBondContact O-N 3.4Å |
| 66 | H | 88.7 | Confident | 90.5 | Very high | 138 Ų | 138 | 76.8 Ų | 76.8 | 64% | 0.639 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -72 | -8.3 | 179.5 | 69.2 | -88.8 | 0 | 0 | 0 | 114.1 | P64 | P64-H66 WeakPolarHBondContact CB-CE1 3.45Å; P64-H66 PolarHBondContact O-N 3.01Å; P64-H66 VanDerWaalsContact O-N 3.07Å |
| 67 | L | 91.2 | Very high | 89.8 | Confident | 6 Ų | 6 | 75.4 Ų | 75.4 | 3% | 0.031 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -102.2 | -13.1 | 175.6 | -62.2 | -179.4 | 0 | 0 | 0 | 112.8 | N17 F18 I63 P64 P65 D69 R70 F71 | N17-L67 HydrophobicContact CB-CD1 4.21Å; F18-L67 HydrophobicContact CD1-CD1 4.46Å; F18-L67 HydrophobicContact CE1-CD1 3.84Å; I63-L67 HydrophobicContact CG2-CB 3.89Å; P64-L67 HydrophobicContact CB-CD1 4.37Å; P64-L67 HydrophobicContact CB-CG 4.4Å; P64-L67 HydrophobicContact CG-CD1 4.15Å; P64-L67 PolarHBondContact O-N 3.5Å; P65-L67 PolarHBondContact O-N 3.23Å; L67-D69 PolarHBondContact O-N 3.21Å; L67-D69 VanDerWaalsContact O-N 3.14Å; L67-R70 WeakPolarHBondContact O-CB 3.46Å; L67-R70 PolarHBondContact O-N 3.13Å; L67-F71 HydrophobicContact CB-CD2 4.31Å; L67-F71 HydrophobicContact CB-CE2 4.33Å; L67-F71 WeakPolarHBondContact O-CD2 3.32Å; L67-F71 PolarHBondContact O-N 2.87Å |
| 68 | I | 90.9 | Very high | 89.1 | Confident | 61 Ų | 61 | 79.3 Ų | 79.3 | 31% | 0.313 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -52.5 | -41.8 | -175.1 | -68.2 | 175.2 | 0 | 0 | 0 | 112 | P65 R70 F71 T72 W134 | P65-I68 HydrophobicContact CB-CD1 4.47Å; P65-I68 PolarHBondContact O-N 3.4Å; I68-R70 VanDerWaalsContact C-N 3.26Å; I68-R70 PolarHBondContact O-N 2.62Å; I68-F71 CarbonylContact O-C 3.53Å; I68-F71 PolarHBondContact O-N 3.14Å; I68-T72 PolarHBondContact O-N 3.09Å; I68-T72 VanDerWaalsContact O-N 3.07Å; I68-T72 PolarHBondContact O-OG1 3.11Å; I68-W134 HydrophobicContact CB-CZ3 4.43Å; I68-W134 HydrophobicContact CG1-CH2 4.27Å; I68-W134 HydrophobicContact CG1-CZ3 4.27Å; I68-W134 HydrophobicContact CG2-CE3 4.12Å; I68-W134 HydrophobicContact CG2-CZ3 4.21Å |
| 69 | D | 90.5 | Very high | 88.2 | Confident | 123 Ų | 123 | 82.8 Ų | 82.8 | 66% | 0.658 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -61.4 | -33.1 | 179.1 | -70.8 | -28.4 | 0 | 0 | 0 | 112.8 | L67 F71 T72 | L67-D69 PolarHBondContact O-N 3.21Å; L67-D69 VanDerWaalsContact O-N 3.14Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 3.37Å; D69-T72 PolarHBondContact O-N 2.99Å |
| 70 | R | 90.3 | Very high | 87 | Confident | 157 Ų | 157 | 88.8 Ų | 88.8 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -70 | -25.2 | 176.8 | -65.8 | -179.4 | 64 | 168.2 | -2 | 112.9 | L67 I68 | L67-R70 WeakPolarHBondContact O-CB 3.46Å; L67-R70 PolarHBondContact O-N 3.13Å; I68-R70 VanDerWaalsContact C-N 3.26Å; I68-R70 PolarHBondContact O-N 2.62Å |
| 71 | F | 92.5 | Very high | 86.1 | Confident | 4 Ų | 4 | 88.6 Ų | 88.6 | 2% | 0.018 | 48% | 0.483 | C | S | . | . | G | 310 helix | trans | -99.9 | 1.1 | -178.5 | -76.3 | -84.1 | 0 | 0 | 0 | 112.8 | F18 T19 I63 L67 I68 D69 L129 A131 R133 W134 | F18-F71 HydrophobicContact CE2-CE2 4.31Å; F18-F71 AromaticContact CE2-CZ 3.69Å; F18-F71 HydrophobicContact CE2-CZ 3.69Å; F18-F71 HydrophobicContact CZ-CE1 4.49Å; F18-F71 AromaticContact CZ-CE2 3.69Å; F18-F71 HydrophobicContact CZ-CE2 3.69Å; F18-F71 AromaticContact CZ-CZ 3.5Å; F18-F71 HydrophobicContact CZ-CZ 3.5Å; T19-F71 HydrophobicContact CG2-CE2 3.83Å; T19-F71 HydrophobicContact CG2-CZ 3.68Å; I63-F71 HydrophobicContact CD1-CD1 4.13Å; I63-F71 HydrophobicContact CD1-CD2 4.22Å; I63-F71 HydrophobicContact CD1-CE1 4.41Å; I63-F71 HydrophobicContact CD1-CG 4.03Å; I63-F71 HydrophobicContact CG2-CD2 4.04Å; I63-F71 HydrophobicContact CG2-CE2 4.36Å; L67-F71 HydrophobicContact CB-CD2 4.31Å; L67-F71 HydrophobicContact CB-CE2 4.33Å; L67-F71 WeakPolarHBondContact O-CD2 3.32Å; L67-F71 PolarHBondContact O-N 2.87Å; I68-F71 CarbonylContact O-C 3.53Å; I68-F71 PolarHBondContact O-N 3.14Å; D69-F71 VanDerWaalsContact C-N 3.26Å; D69-F71 PolarHBondContact O-N 3.37Å; F71-L129 WeakPolarHBondContact CE1-O 3.33Å; F71-L129 WeakPolarHBondContact CZ-O 3.39Å; F71-A131 WeakPolarHBondContact CD1-O 3.41Å; F71-A131 WeakPolarHBondContact CE1-O 3.25Å; F71-R133 HydrophobicContact CB-CB 4.31Å; F71-R133 HydrophobicContact CB-CG 4.47Å; F71-R133 HydrophobicContact CD1-CG 3.93Å; F71-R133 PolarHBondContact O-N 2.88Å; F71-W134 HydrophobicContact CB-CE3 3.71Å; F71-W134 HydrophobicContact CB-CZ3 3.62Å; F71-W134 HydrophobicContact CG-CZ3 4.46Å; F71-W134 PolarHBondContact O-N 3.31Å |
| 72 | T | 93.5 | Very high | 85.5 | Confident | 16 Ų | 16 | 91.9 Ų | 91.9 | 10% | 0.098 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.6 | 176.5 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | I68 D69 W134 R136 V141 | I68-T72 PolarHBondContact O-N 3.09Å; I68-T72 VanDerWaalsContact O-N 3.07Å; I68-T72 PolarHBondContact O-OG1 3.11Å; D69-T72 PolarHBondContact O-N 2.99Å; T72-W134 WeakPolarHBondContact CA-O 3.3Å; T72-W134 HydrophobicContact CG2-CB 4.19Å; T72-R136 HydrophobicContact CG2-CB 4.18Å; T72-V141 HydrophobicContact CG2-CG1 4.03Å; T72-V141 HydrophobicContact CG2-CG2 4.32Å |
| 73 | V | 92.2 | Very high | 85 | Confident | 36 Ų | 36 | 91.5 Ų | 91.5 | 22% | 0.218 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 159.5 | 177.8 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | V75 L76 P132 W134 I135 R136 | V73-V75 WeakPolarHBondContact CG2-O 3.39Å; V73-L76 HydrophobicContact CG2-CD2 4.06Å; V73-P132 HydrophobicContact CB-CB 4.44Å; V73-P132 HydrophobicContact CB-CG 4.44Å; V73-P132 HydrophobicContact CG1-CB 3.86Å; V73-P132 HydrophobicContact CG1-CG 3.59Å; V73-P132 HydrophobicContact CG2-CB 3.72Å; V73-P132 HydrophobicContact CG2-CG 3.99Å; V73-W134 PolarHBondContact N-O 2.95Å; V73-I135 CarbonylContact O-C 3.52Å; V73-I135 VanDerWaalsContact O-CA 3.25Å; V73-I135 WeakPolarHBondContact O-CA 3.49Å; V73-R136 PolarHBondContact O-N 2.84Å |
| 74 | D | 91.6 | Very high | 84.7 | Confident | 112 Ų | 112 | 94.9 Ų | 94.9 | 60% | 0.599 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -90.4 | -22.3 | 174.2 | -59.3 | -48.4 | 0 | 0 | 0 | 112.2 | R136 | D74-R136 WeakPolarHBondContact OD1-CB 3.42Å; D74-R136 WeakPolarHBondContact OD1-CD 3.37Å; D74-R136 IonicContact OD1-NE 2.86Å |
| 75 | V | 87.1 | Confident | 84.6 | Confident | 119 Ų | 119 | 94.4 Ų | 94.4 | 72% | 0.721 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -135.2 | 128.9 | -179.7 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | V73 | V73-V75 WeakPolarHBondContact CG2-O 3.39Š|
| 76 | L | 82.1 | Confident | 84.6 | Confident | 67 Ų | 67 | 95 Ų | 95 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | trans | -77.9 | 142.6 | 173.3 | -71.7 | 173.2 | 0 | 0 | 0 | 110.6 | V73 I135 C144 | V73-L76 HydrophobicContact CG2-CD2 4.06Å; L76-I135 HydrophobicContact CD1-CD1 4.19Å; L76-I135 HydrophobicContact CG-CB 4.42Å; L76-I135 HydrophobicContact CG-CD1 3.85Å; L76-C144 HydrophobicContact CD2-CB 4.12Å; L76-C144 WeakPolarHBondContact CD2-SG 3.43Å | ||
| 77 | P | 79.2 | Confident | 84.8 | Confident | 87 Ų | 87 | 90.4 Ų | 90.4 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | trans | -64.7 | 138.7 | 168.7 | 27.5 | -31.8 | 0 | 0 | 0 | 110 | V79 | P77-V79 PolarHBondContact O-N 3.31Å; P77-V79 VanDerWaalsContact O-N 3.09Å | ||
| 78 | D | 78 | Confident | 84.9 | Confident | 172 Ų | 172 | 93.8 Ų | 93.8 | 92% | 0.92 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -72.7 | 4.5 | 179.8 | -72.8 | -34.5 | 0 | 0 | 0 | 114 | ||
| 79 | V | 73.4 | Confident | 85.1 | Confident | 120 Ų | 120 | 94.2 Ų | 94.2 | 73% | 0.727 | 51% | 0.509 | S | S | * | . | trans | -104.1 | 111 | -171.5 | -174.5 | 0 | 0 | 0 | 0 | 110.2 | P77 | P77-V79 PolarHBondContact O-N 3.31Å; P77-V79 VanDerWaalsContact O-N 3.09Å | ||
| 80 | L | 66.4 | Low | 85.3 | Confident | 157 Ų | 157 | 88.6 Ų | 88.6 | 82% | 0.822 | 48% | 0.479 | S | S | * | . | trans | -86.6 | 122.6 | 164.5 | -76.7 | 161.2 | 0 | 0 | 0 | 108.8 | ||||
| 81 | P | 69.1 | Low | 85.6 | Confident | 65 Ų | 65 | 81.1 Ų | 81.1 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | trans | -71.2 | 136.9 | 175.6 | 28.7 | -32.1 | 0 | 0 | 0 | 110.5 | T84 Y124 | P81-T84 HydrophobicContact CG-CG2 4.2Å; P81-T84 WeakPolarHBondContact O-CG2 3.36Å; P81-Y124 HydrophobicContact CB-CE2 4.22Å | ||
| 82 | E | 78.2 | Confident | 85.8 | Confident | 201 Ų | 201 | 83.8 Ų | 83.8 | 94% | 0.939 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -72.2 | -32.8 | 175.7 | -65.6 | -178.2 | 176 | 0 | 0 | 112.1 | ||
| 83 | F | 81.4 | Confident | 86 | Confident | 97 Ų | 97 | 88.1 Ų | 88.1 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | trans | -86 | 122.1 | 173.5 | -173.3 | -123.6 | 0 | 0 | 0 | 108.4 | P85 L90 L121 Y124 | F83-P85 HydrophobicContact CD1-CG 4.06Å; F83-P85 HydrophobicContact CE1-CG 3.53Å; F83-P85 HydrophobicContact CE2-CG 4.15Å; F83-P85 HydrophobicContact CZ-CB 4.27Å; F83-P85 HydrophobicContact CZ-CG 3.58Å; F83-L90 HydrophobicContact CE1-CD1 4.32Å; F83-L121 HydrophobicContact CE1-CD2 3.9Å; F83-L121 HydrophobicContact CZ-CD2 4.2Å; F83-Y124 AromaticContact CD1-CD1 3.89Å; F83-Y124 HydrophobicContact CD1-CD1 3.89Å; F83-Y124 HydrophobicContact CD1-CD2 4.46Å; F83-Y124 AromaticContact CD1-CE1 3.63Å; F83-Y124 HydrophobicContact CD1-CE1 3.63Å; F83-Y124 HydrophobicContact CD1-CE2 4.17Å; F83-Y124 HydrophobicContact CD1-CG 4.35Å; F83-Y124 AromaticContact CD1-CZ 3.79Å; F83-Y124 HydrophobicContact CE1-CD1 4.02Å; F83-Y124 AromaticContact CE1-CE1 3.97Å; F83-Y124 HydrophobicContact CE1-CE1 3.97Å; F83-Y124 PolarHBondContact O-OH 3.32Å | ||
| 84 | T | 83.7 | Confident | 86.2 | Confident | 106 Ų | 106 | 86.4 Ų | 86.4 | 65% | 0.65 | 47% | 0.47 | S | S | * | . | trans | -141.7 | 56.9 | -176.6 | 46 | 0 | 0 | 0 | 0 | 112.4 | P81 | P81-T84 HydrophobicContact CG-CG2 4.2Å; P81-T84 WeakPolarHBondContact O-CG2 3.36Å | ||
| 85 | P | 87.1 | Confident | 86.5 | Confident | 29 Ų | 29 | 82 Ų | 82 | 19% | 0.188 | 45% | 0.447 | C | S | . | . | trans | -68.6 | 155.2 | 171.6 | 33.7 | -38 | 0 | 0 | 0 | 111.2 | F83 L89 L90 Y124 | F83-P85 HydrophobicContact CD1-CG 4.06Å; F83-P85 HydrophobicContact CE1-CG 3.53Å; F83-P85 HydrophobicContact CE2-CG 4.15Å; F83-P85 HydrophobicContact CZ-CB 4.27Å; F83-P85 HydrophobicContact CZ-CG 3.58Å; P85-L89 HydrophobicContact CB-CD2 4.48Å; P85-L90 HydrophobicContact CB-CB 4.46Å; P85-L90 HydrophobicContact CG-CB 4.05Å; P85-L90 HydrophobicContact CG-CD1 4.34Å; P85-L90 HydrophobicContact CG-CD2 4.18Å; P85-L90 HydrophobicContact CG-CG 4.44Å; P85-Y124 HydrophobicContact CG-CE1 4.23Å | ||
| 86 | D | 90.3 | Very high | 86.9 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 65% | 0.652 | 43% | 0.432 | S | S | * | . | trans | -59.8 | 145.4 | 167.7 | -64.3 | -40.7 | 0 | 0 | 0 | 110.7 | D88 L89 L90 | D86-D88 VanDerWaalsContact C-N 3.28Å; D86-D88 PolarHBondContact O-N 3.2Å; D86-L89 HydrophobicContact CB-CB 4.28Å; D86-L89 PolarHBondContact O-N 2.91Å; D86-L89 VanDerWaalsContact O-N 3.13Å; D86-L90 WeakPolarHBondContact O-CB 3.49Å; D86-L90 PolarHBondContact O-N 3.17Å | ||
| 87 | A | 91.7 | Very high | 87.6 | Confident | 42 Ų | 42 | 76.8 Ų | 76.8 | 35% | 0.347 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.1 | -38.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L59 L90 C91 F125 | L59-A87 HydrophobicContact CD1-CB 4.4Å; L59-A87 HydrophobicContact CD2-CB 4.42Å; A87-L90 PolarHBondContact O-N 2.96Å; A87-C91 WeakPolarHBondContact O-CB 3.2Å; A87-C91 PolarHBondContact O-N 2.96Å; A87-F125 HydrophobicContact CB-CE2 4.46Å; A87-F125 WeakPolarHBondContact O-CE2 3.49Å |
| 88 | D | 93.7 | Very high | 88.4 | Confident | 77 Ų | 77 | 72.6 Ų | 72.6 | 41% | 0.412 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 176.2 | -65.8 | -71.6 | 0 | 0 | 0 | 111.8 | D86 C91 D92 | D86-D88 VanDerWaalsContact C-N 3.28Å; D86-D88 PolarHBondContact O-N 3.2Å; D88-C91 WeakPolarHBondContact O-CB 3.4Å; D88-C91 PolarHBondContact O-N 3.08Å; D88-D92 PolarHBondContact O-N 3.1Å |
| 89 | L | 94.6 | Very high | 89.2 | Confident | 70 Ų | 70 | 70.5 Ų | 70.5 | 37% | 0.366 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 179.5 | -178.8 | 60.9 | 0 | 0 | 0 | 111.2 | P85 D86 D92 Y93 | P85-L89 HydrophobicContact CB-CD2 4.48Å; D86-L89 HydrophobicContact CB-CB 4.28Å; D86-L89 PolarHBondContact O-N 2.91Å; D86-L89 VanDerWaalsContact O-N 3.13Å; L89-D92 PolarHBondContact O-N 3.05Å; L89-Y93 HydrophobicContact CD1-CD1 4.24Å; L89-Y93 HydrophobicContact CD1-CE1 3.51Å; L89-Y93 HydrophobicContact CD1-CE2 4.33Å; L89-Y93 HydrophobicContact CD2-CE2 4.22Å; L89-Y93 WeakPolarHBondContact CD2-OH 3.35Å; L89-Y93 HydrophobicContact CG-CD2 4.47Å; L89-Y93 HydrophobicContact CG-CE1 3.95Å; L89-Y93 HydrophobicContact CG-CE2 3.84Å; L89-Y93 VanDerWaalsContact O-CG 3.3Å; L89-Y93 PolarHBondContact O-N 3.35Å |
| 90 | L | 95 | Very high | 90.1 | Very high | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 176.8 | -179.8 | 58.2 | 0 | 0 | 0 | 111.9 | F83 P85 D86 A87 D92 Y93 C94 L121 Y124 F125 | F83-L90 HydrophobicContact CE1-CD1 4.32Å; P85-L90 HydrophobicContact CB-CB 4.46Å; P85-L90 HydrophobicContact CG-CB 4.05Å; P85-L90 HydrophobicContact CG-CD1 4.34Å; P85-L90 HydrophobicContact CG-CD2 4.18Å; P85-L90 HydrophobicContact CG-CG 4.44Å; D86-L90 WeakPolarHBondContact O-CB 3.49Å; D86-L90 PolarHBondContact O-N 3.17Å; A87-L90 PolarHBondContact O-N 2.96Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-D92 PolarHBondContact O-N 3.42Å; L90-Y93 PolarHBondContact O-N 2.91Å; L90-C94 PolarHBondContact O-N 3.41Å; L90-C94 PolarHBondContact O-SG 3.3Å; L90-L121 HydrophobicContact CD1-CB 4.26Å; L90-L121 HydrophobicContact CD1-CD2 3.82Å; L90-Y124 HydrophobicContact CD1-CD1 4.33Å; L90-Y124 HydrophobicContact CD2-CD1 3.44Å; L90-Y124 VanDerWaalsContact CD2-CD1 3.44Å; L90-Y124 HydrophobicContact CD2-CE1 3.6Å; L90-F125 HydrophobicContact CB-CD2 4.32Å; L90-F125 HydrophobicContact CD2-CB 3.69Å; L90-F125 HydrophobicContact CD2-CD2 3.76Å; L90-F125 HydrophobicContact CD2-CG 4.19Å; L90-F125 HydrophobicContact CG-CB 3.91Å; L90-F125 HydrophobicContact CG-CD2 3.89Å; L90-F125 HydrophobicContact CG-CG 4.23Å |
| 91 | C | 97.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 173.3 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | L59 A87 D88 Y93 C94 L95 F125 | L59-C91 HydrophobicContact CD1-CB 3.74Å; A87-C91 WeakPolarHBondContact O-CB 3.2Å; A87-C91 PolarHBondContact O-N 2.96Å; D88-C91 WeakPolarHBondContact O-CB 3.4Å; D88-C91 PolarHBondContact O-N 3.08Å; C91-Y93 VanDerWaalsContact C-N 3.34Å; C91-Y93 PolarHBondContact O-N 3.38Å; C91-C94 PolarHBondContact O-N 3.15Å; C91-L95 WeakPolarHBondContact O-CG 3.41Å; C91-L95 PolarHBondContact O-N 3.48Å; C91-F125 HydrophobicContact CB-CE1 4.46Å; C91-F125 HydrophobicContact CB-CE2 3.99Å; C91-F125 HydrophobicContact CB-CZ 3.75Å |
| 92 | D | 96.5 | Very high | 92.5 | Very high | 59 Ų | 59 | 60.2 Ų | 60.2 | 32% | 0.316 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 177.9 | -74.6 | -17.1 | 0 | 0 | 0 | 111.8 | R56 D88 L89 L90 L95 A96 | R56-D92 IonicContact CZ-OD1 3.65Å; R56-D92 IonicContact NE-OD1 3.53Å; R56-D92 PolarHBondContact NE-OD1 2.91Å; R56-D92 IonicContact NH2-OD1 3.4Å; R56-D92 IonicContact NH2-OD2 3.66Å; R56-D92 PolarHBondContact NH2-OD2 3.37Å; D88-D92 PolarHBondContact O-N 3.1Å; L89-D92 PolarHBondContact O-N 3.05Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-D92 PolarHBondContact O-N 3.42Å; D92-L95 PolarHBondContact O-N 3.04Å; D92-A96 WeakPolarHBondContact O-CB 3.41Å; D92-A96 PolarHBondContact O-N 2.81Å |
| 93 | Y | 97 | Very high | 93 | Very high | 108 Ų | 108 | 53 Ų | 53 | 42% | 0.424 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62 | -48.5 | 171.6 | -67.7 | -17.1 | 0 | 0 | 0 | 112.5 | L89 L90 C91 L95 A96 L97 | L89-Y93 HydrophobicContact CD1-CD1 4.24Å; L89-Y93 HydrophobicContact CD1-CE1 3.51Å; L89-Y93 HydrophobicContact CD1-CE2 4.33Å; L89-Y93 HydrophobicContact CD2-CE2 4.22Å; L89-Y93 WeakPolarHBondContact CD2-OH 3.35Å; L89-Y93 HydrophobicContact CG-CD2 4.47Å; L89-Y93 HydrophobicContact CG-CE1 3.95Å; L89-Y93 HydrophobicContact CG-CE2 3.84Å; L89-Y93 VanDerWaalsContact O-CG 3.3Å; L89-Y93 PolarHBondContact O-N 3.35Å; L90-Y93 PolarHBondContact O-N 2.91Å; C91-Y93 VanDerWaalsContact C-N 3.34Å; C91-Y93 PolarHBondContact O-N 3.38Å; Y93-L95 VanDerWaalsContact C-N 3.32Å; Y93-L95 PolarHBondContact O-N 3.44Å; Y93-A96 PolarHBondContact O-N 2.97Å; Y93-L97 WeakPolarHBondContact O-CG 3.46Å; Y93-L97 PolarHBondContact O-N 3.4Å |
| 94 | C | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 177.4 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | L52 L90 C91 L97 A98 L118 V122 | L52-C94 HydrophobicContact CD1-CB 3.58Å; L52-C94 HydrophobicContact CD2-CB 3.96Å; L52-C94 HydrophobicContact CG-CB 4.43Å; L90-C94 PolarHBondContact O-N 3.41Å; L90-C94 PolarHBondContact O-SG 3.3Å; C91-C94 PolarHBondContact O-N 3.15Å; C94-L97 PolarHBondContact O-N 2.91Å; C94-A98 WeakPolarHBondContact O-CB 3.44Å; C94-A98 PolarHBondContact O-N 3.22Å; C94-L118 HydrophobicContact CB-CD1 4.15Å; C94-L118 VanDerWaalsContact O-CD1 3.32Å; C94-L118 WeakPolarHBondContact O-CD1 3.35Å; C94-V122 HydrophobicContact CB-CG2 4.21Å |
| 95 | L | 96.8 | Very high | 92.8 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62 | -46.6 | 176.6 | -78.7 | 168.5 | 0 | 0 | 0 | 112.3 | S49 L52 C91 D92 Y93 A98 Q99 | S49-L95 WeakPolarHBondContact O-CD2 3.35Å; L52-L95 HydrophobicContact CB-CD2 3.59Å; L52-L95 HydrophobicContact CB-CG 3.82Å; L52-L95 HydrophobicContact CD1-CD2 4.3Å; L52-L95 HydrophobicContact CD1-CG 4.35Å; C91-L95 WeakPolarHBondContact O-CG 3.41Å; C91-L95 PolarHBondContact O-N 3.48Å; D92-L95 PolarHBondContact O-N 3.04Å; Y93-L95 VanDerWaalsContact C-N 3.32Å; Y93-L95 PolarHBondContact O-N 3.44Å; L95-A98 PolarHBondContact O-N 3.32Å; L95-Q99 VanDerWaalsContact O-CG 3.26Å; L95-Q99 WeakPolarHBondContact O-CG 3.48Å; L95-Q99 PolarHBondContact O-N 3.46Å |
| 96 | A | 96.7 | Very high | 92.8 | Very high | 49 Ų | 49 | 56.7 Ų | 56.7 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D92 Y93 Q99 V100 | D92-A96 WeakPolarHBondContact O-CB 3.41Å; D92-A96 PolarHBondContact O-N 2.81Å; Y93-A96 PolarHBondContact O-N 2.97Å; A96-Q99 PolarHBondContact O-N 2.68Å; A96-V100 WeakPolarHBondContact O-CG2 3.35Å; A96-V100 PolarHBondContact O-N 2.94Å |
| 97 | L | 96.4 | Very high | 92.8 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 177.4 | -76.2 | 171.2 | 0 | 0 | 0 | 112.2 | Y93 C94 Q99 V100 L101 L114 L117 L118 L121 | Y93-L97 WeakPolarHBondContact O-CG 3.46Å; Y93-L97 PolarHBondContact O-N 3.4Å; C94-L97 PolarHBondContact O-N 2.91Å; L97-Q99 VanDerWaalsContact C-N 3.31Å; L97-Q99 PolarHBondContact O-N 2.63Å; L97-V100 PolarHBondContact O-N 2.86Å; L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 2.67Å; L97-L114 HydrophobicContact CD2-CD2 3.88Å; L97-L117 HydrophobicContact CD1-CD2 4.06Å; L97-L117 HydrophobicContact CD1-CG 3.98Å; L97-L117 HydrophobicContact CD2-CD2 4.37Å; L97-L118 HydrophobicContact CB-CB 4.23Å; L97-L118 HydrophobicContact CB-CD1 3.99Å; L97-L118 HydrophobicContact CD1-CB 4.44Å; L97-L121 HydrophobicContact CD1-CD1 3.54Å |
| 98 | A | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S49 C94 L95 L101 L102 L118 | S49-A98 VanDerWaalsContact OG-CB 3.24Å; S49-A98 WeakPolarHBondContact OG-CB 3.27Å; C94-A98 WeakPolarHBondContact O-CB 3.44Å; C94-A98 PolarHBondContact O-N 3.22Å; L95-A98 PolarHBondContact O-N 3.32Å; A98-L101 PolarHBondContact O-N 3.4Å; A98-L102 WeakPolarHBondContact O-CB 3.45Å; A98-L102 WeakPolarHBondContact O-CD1 3.47Å; A98-L102 WeakPolarHBondContact O-CG 3.49Å; A98-L102 PolarHBondContact O-N 3.02Å; A98-L118 HydrophobicContact CB-CD1 4.42Å; A98-L118 HydrophobicContact CB-CD2 4Å |
| 99 | Q | 94.2 | Very high | 92.6 | Very high | 128 Ų | 128 | 63.6 Ų | 63.6 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.5 | -42.3 | 174.8 | -72 | 171.2 | 13.7 | 0 | 0 | 112.6 | L95 A96 L97 L102 G103 | L95-Q99 VanDerWaalsContact O-CG 3.26Å; L95-Q99 WeakPolarHBondContact O-CG 3.48Å; L95-Q99 PolarHBondContact O-N 3.46Å; A96-Q99 PolarHBondContact O-N 2.68Å; L97-Q99 VanDerWaalsContact C-N 3.31Å; L97-Q99 PolarHBondContact O-N 2.63Å; Q99-L102 PolarHBondContact O-N 3.2Å; Q99-G103 PolarHBondContact O-N 3.5Å |
| 100 | V | 93.9 | Very high | 92.5 | Very high | 66 Ų | 66 | 63.1 Ų | 63.1 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.8 | 166.2 | 0 | 0 | 0 | 0 | 111.1 | A96 L97 L102 G103 L106 L114 | A96-V100 WeakPolarHBondContact O-CG2 3.35Å; A96-V100 PolarHBondContact O-N 2.94Å; L97-V100 PolarHBondContact O-N 2.86Å; V100-L102 PolarHBondContact O-N 2.83Å; V100-G103 PolarHBondContact O-N 3.29Å; V100-L106 HydrophobicContact CG1-CD1 4.01Å; V100-L106 HydrophobicContact CG1-CD2 4.18Å; V100-L106 HydrophobicContact CG1-CG 4.46Å; V100-L114 HydrophobicContact CG1-CD1 3.99Å |
| 101 | L | 93.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 176.7 | -71.4 | 168.6 | 0 | 0 | 0 | 112.3 | L97 A98 G103 L106 E111 L114 L118 | L97-L101 WeakPolarHBondContact O-CG 3.34Å; L97-L101 PolarHBondContact O-N 2.67Å; A98-L101 PolarHBondContact O-N 3.4Å; L101-G103 PolarHBondContact O-N 2.94Å; L101-L106 HydrophobicContact CD2-CD1 4.03Å; L101-E111 HydrophobicContact CD2-CG 3.83Å; L101-L114 HydrophobicContact CD2-CB 4.07Å; L101-L118 HydrophobicContact CD1-CB 4.19Å; L101-L118 HydrophobicContact CD1-CD2 3.54Å |
| 102 | L | 92.2 | Very high | 92.2 | Very high | 50 Ų | 50 | 68.2 Ų | 68.2 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67 | -20 | 176.2 | -70.5 | 167.3 | 0 | 0 | 0 | 113.1 | M42 C45 A98 Q99 V100 R104 | M42-L102 HydrophobicContact CE-CB 4.07Å; M42-L102 HydrophobicContact CE-CD2 3.37Å; M42-L102 HydrophobicContact CE-CG 4.33Å; M42-L102 WeakPolarHBondContact CE-O 3.35Å; M42-L102 HydrophobicContact SD-CD2 3.88Å; C45-L102 HydrophobicContact CB-CD2 3.71Å; C45-L102 HydrophobicContact CB-CG 4.13Å; A98-L102 WeakPolarHBondContact O-CB 3.45Å; A98-L102 WeakPolarHBondContact O-CD1 3.47Å; A98-L102 WeakPolarHBondContact O-CG 3.49Å; A98-L102 PolarHBondContact O-N 3.02Å; Q99-L102 PolarHBondContact O-N 3.2Å; V100-L102 PolarHBondContact O-N 2.83Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.48Å |
| 103 | G | 88.3 | Confident | 92.2 | Very high | 50 Ų | 50 | 70.1 Ų | 70.1 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q99 V100 L101 S105 | Q99-G103 PolarHBondContact O-N 3.5Å; V100-G103 PolarHBondContact O-N 3.29Å; L101-G103 PolarHBondContact O-N 2.94Å; G103-S105 PolarHBondContact O-N 3.49Å |
| 104 | R | 78.1 | Confident | 92.1 | Very high | 156 Ų | 156 | 66.9 Ų | 66.9 | 59% | 0.589 | 38% | 0.378 | S | S | * | . | trans | 50.6 | 21.8 | -179.9 | -57.8 | -169.7 | 74.2 | -160.8 | 3.4 | 116.1 | M42 L102 | M42-R104 HydrophobicContact CE-CG 4.44Å; M42-R104 HydrophobicContact SD-CG 4.06Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 3.48Å | ||
| 105 | S | 82.1 | Confident | 92 | Very high | 107 Ų | 107 | 67.1 Ų | 67.1 | 75% | 0.748 | 38% | 0.379 | S | S | * | . | trans | -103.4 | 16.7 | -177 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | G103 | G103-S105 PolarHBondContact O-N 3.49Š| ||
| 106 | L | 87.8 | Confident | 92 | Very high | 47 Ų | 47 | 67 Ų | 67 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -98.7 | 152 | -174.6 | -62.6 | 175.2 | 0 | 0 | 0 | 111.7 | V100 L101 T110 E111 L114 | V100-L106 HydrophobicContact CG1-CD1 4.01Å; V100-L106 HydrophobicContact CG1-CD2 4.18Å; V100-L106 HydrophobicContact CG1-CG 4.46Å; L101-L106 HydrophobicContact CD2-CD1 4.03Å; L106-T110 HydrophobicContact CD2-CG2 4.14Å; L106-E111 HydrophobicContact CB-CB 4.09Å; L106-E111 HydrophobicContact CD1-CB 4.24Å; L106-E111 HydrophobicContact CD1-CG 4.48Å; L106-L114 HydrophobicContact CD1-CD1 3.87Å; L106-L114 HydrophobicContact CD2-CD1 4.37Å |
| 107 | L | 91.4 | Very high | 92 | Very high | 124 Ų | 124 | 68.3 Ų | 68.3 | 65% | 0.649 | 38% | 0.383 | S | S | * | . | trans | -67.7 | 147 | 164.3 | -65.2 | 173.5 | 0 | 0 | 0 | 109.5 | E109 T110 E111 | L107-E109 VanDerWaalsContact C-N 3.26Å; L107-E109 PolarHBondContact O-N 3.3Å; L107-E109 VanDerWaalsContact O-N 3.17Å; L107-T110 PolarHBondContact O-N 2.94Å; L107-E111 PolarHBondContact O-N 3.47Å | ||
| 108 | P | 89.2 | Confident | 92.1 | Very high | 97 Ų | 97 | 67.1 Ų | 67.1 | 63% | 0.63 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.2 | -38.1 | -177 | -28.4 | 35.2 | 0 | 0 | 0 | 114.5 | T112 | P108-T112 WeakPolarHBondContact O-CB 3.36Å; P108-T112 PolarHBondContact O-N 3.31Å; P108-T112 PolarHBondContact O-OG1 2.92Å |
| 109 | E | 91.5 | Very high | 92.2 | Very high | 164 Ų | 164 | 67.1 Ų | 67.1 | 77% | 0.766 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.8 | -48.4 | 177 | -66.9 | 177.4 | -176 | 0 | 0 | 111.4 | L107 E111 T112 T113 | L107-E109 VanDerWaalsContact C-N 3.26Å; L107-E109 PolarHBondContact O-N 3.3Å; L107-E109 VanDerWaalsContact O-N 3.17Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E111 PolarHBondContact O-N 2.92Å; E109-T112 PolarHBondContact O-N 3.46Å; E109-T113 PolarHBondContact O-N 3.3Å; E109-T113 PolarHBondContact O-OG1 3.3Å |
| 110 | T | 92.7 | Very high | 92.3 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.1 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | L106 L107 T112 T113 L114 | L106-T110 HydrophobicContact CD2-CG2 4.14Å; L107-T110 PolarHBondContact O-N 2.94Å; T110-T112 VanDerWaalsContact C-N 3.33Å; T110-T112 PolarHBondContact O-N 3.43Å; T110-T113 PolarHBondContact O-N 3.07Å; T110-L114 HydrophobicContact CG2-CD1 3.97Å; T110-L114 HydrophobicContact CG2-CG 4.25Å; T110-L114 WeakPolarHBondContact O-CB 3.38Å; T110-L114 VanDerWaalsContact O-CG 3.3Å; T110-L114 WeakPolarHBondContact O-CG 3.42Å; T110-L114 PolarHBondContact O-N 3.04Å |
| 111 | E | 92.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 63.5 Ų | 63.5 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 175.5 | -171.7 | -159 | 125.6 | 0 | 0 | 111.2 | L38 K41 L101 L106 L107 E109 L114 T115 | L38-E111 WeakPolarHBondContact CD1-OE1 3.2Å; L38-E111 WeakPolarHBondContact CD1-OE2 3.48Å; K41-E111 IonicContact NZ-OE1 3.26Å; K41-E111 PolarHBondContact NZ-OE1 2.95Å; L101-E111 HydrophobicContact CD2-CG 3.83Å; L106-E111 HydrophobicContact CB-CB 4.09Å; L106-E111 HydrophobicContact CD1-CB 4.24Å; L106-E111 HydrophobicContact CD1-CG 4.48Å; L107-E111 PolarHBondContact O-N 3.47Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E111 PolarHBondContact O-N 2.92Å; E111-L114 PolarHBondContact O-N 3.46Å; E111-T115 VanDerWaalsContact O-CB 3.27Å; E111-T115 WeakPolarHBondContact O-CB 3.35Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 3.04Å |
| 112 | T | 93.3 | Very high | 92.6 | Very high | 89 Ų | 89 | 63 Ų | 63 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 179.1 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | P108 E109 T110 T115 G116 | P108-T112 WeakPolarHBondContact O-CB 3.36Å; P108-T112 PolarHBondContact O-N 3.31Å; P108-T112 PolarHBondContact O-OG1 2.92Å; E109-T112 PolarHBondContact O-N 3.46Å; T110-T112 VanDerWaalsContact C-N 3.33Å; T110-T112 PolarHBondContact O-N 3.43Å; T112-T115 WeakPolarHBondContact O-CB 3.1Å; T112-T115 PolarHBondContact O-N 3.14Å; T112-G116 PolarHBondContact O-N 3.41Å |
| 113 | T | 95.5 | Very high | 92.8 | Very high | 100 Ų | 100 | 64.6 Ų | 64.6 | 61% | 0.613 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 112 | E109 T110 T115 G116 L117 | E109-T113 PolarHBondContact O-N 3.3Å; E109-T113 PolarHBondContact O-OG1 3.3Å; T110-T113 PolarHBondContact O-N 3.07Å; T113-T115 VanDerWaalsContact C-N 3.29Å; T113-T115 PolarHBondContact O-N 3.24Å; T113-G116 PolarHBondContact O-N 3.08Å; T113-L117 PolarHBondContact O-N 2.87Å |
| 114 | L | 95.4 | Very high | 93.1 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.5 | -29.6 | 178.8 | -67.8 | -177.3 | 0 | 0 | 0 | 112.4 | L97 V100 L101 L106 T110 E111 L117 L118 | L97-L114 HydrophobicContact CD2-CD2 3.88Å; V100-L114 HydrophobicContact CG1-CD1 3.99Å; L101-L114 HydrophobicContact CD2-CB 4.07Å; L106-L114 HydrophobicContact CD1-CD1 3.87Å; L106-L114 HydrophobicContact CD2-CD1 4.37Å; T110-L114 HydrophobicContact CG2-CD1 3.97Å; T110-L114 HydrophobicContact CG2-CG 4.25Å; T110-L114 WeakPolarHBondContact O-CB 3.38Å; T110-L114 VanDerWaalsContact O-CG 3.3Å; T110-L114 WeakPolarHBondContact O-CG 3.42Å; T110-L114 PolarHBondContact O-N 3.04Å; E111-L114 PolarHBondContact O-N 3.46Å; L114-L117 HydrophobicContact CD2-CD2 4.38Å; L114-L118 WeakPolarHBondContact O-CB 3.36Å; L114-L118 PolarHBondContact O-N 3.22Å |
| 115 | T | 95.3 | Very high | 94 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -49.6 | 172 | -60 | 0 | 0 | 0 | 0 | 110.4 | I32 I33 E111 T112 T113 L118 C119 | I32-T115 HydrophobicContact CG2-CG2 3.5Å; I32-T115 VanDerWaalsContact CG2-CG2 3.5Å; I33-T115 HydrophobicContact CD1-CG2 4.32Å; E111-T115 VanDerWaalsContact O-CB 3.27Å; E111-T115 WeakPolarHBondContact O-CB 3.35Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 3.04Å; T112-T115 WeakPolarHBondContact O-CB 3.1Å; T112-T115 PolarHBondContact O-N 3.14Å; T113-T115 VanDerWaalsContact C-N 3.29Å; T113-T115 PolarHBondContact O-N 3.24Å; T115-L118 PolarHBondContact O-N 2.87Å; T115-C119 PolarHBondContact O-N 2.84Å; T115-C119 PolarHBondContact O-SG 3.13Å |
| 116 | G | 96.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.1 | -50.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T112 T113 L118 C119 D120 | T112-G116 PolarHBondContact O-N 3.41Å; T113-G116 PolarHBondContact O-N 3.08Å; G116-L118 PolarHBondContact O-N 3.21Å; G116-C119 PolarHBondContact O-N 3.33Å; G116-C119 VanDerWaalsContact O-N 3.1Å; G116-D120 PolarHBondContact O-N 3.27Å |
| 117 | L | 97.1 | Very high | 94.8 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 41% | 0.408 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 178.4 | 179.2 | 62.2 | 0 | 0 | 0 | 112.7 | L97 T113 L114 C119 L121 | L97-L117 HydrophobicContact CD1-CD2 4.06Å; L97-L117 HydrophobicContact CD1-CG 3.98Å; L97-L117 HydrophobicContact CD2-CD2 4.37Å; T113-L117 PolarHBondContact O-N 2.87Å; L114-L117 HydrophobicContact CD2-CD2 4.38Å; L117-C119 VanDerWaalsContact C-N 3.32Å; L117-C119 PolarHBondContact O-N 3.48Å; L117-L121 HydrophobicContact CD1-CD1 3.99Å; L117-L121 HydrophobicContact CD1-CG 4.09Å; L117-L121 HydrophobicContact CG-CD1 4Å; L117-L121 HydrophobicContact CG-CG 4.47Å; L117-L121 WeakPolarHBondContact O-CB 3.16Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.24Å; L117-L121 PolarHBondContact O-N 3.36Å |
| 118 | L | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -45.2 | 175.7 | 173 | 62.3 | 0 | 0 | 0 | 111 | L48 C94 L97 A98 L101 L114 T115 G116 L121 V122 | L48-L118 HydrophobicContact CD2-CD1 4.3Å; L48-L118 HydrophobicContact CD2-CD2 3.9Å; L48-L118 HydrophobicContact CD2-CG 4.17Å; C94-L118 HydrophobicContact CB-CD1 4.15Å; C94-L118 VanDerWaalsContact O-CD1 3.32Å; C94-L118 WeakPolarHBondContact O-CD1 3.35Å; L97-L118 HydrophobicContact CB-CB 4.23Å; L97-L118 HydrophobicContact CB-CD1 3.99Å; L97-L118 HydrophobicContact CD1-CB 4.44Å; A98-L118 HydrophobicContact CB-CD1 4.42Å; A98-L118 HydrophobicContact CB-CD2 4Å; L101-L118 HydrophobicContact CD1-CB 4.19Å; L101-L118 HydrophobicContact CD1-CD2 3.54Å; L114-L118 WeakPolarHBondContact O-CB 3.36Å; L114-L118 PolarHBondContact O-N 3.22Å; T115-L118 PolarHBondContact O-N 2.87Å; G116-L118 PolarHBondContact O-N 3.21Å; L118-L121 PolarHBondContact O-N 2.9Å; L118-V122 HydrophobicContact CD1-CG2 3.86Å; L118-V122 HydrophobicContact CG-CG2 4.34Å; L118-V122 WeakPolarHBondContact O-CB 3.41Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 3.36Å |
| 119 | C | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -45.9 | -178.1 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | A29 I33 T115 G116 L117 L121 V122 W123 | A29-C119 HydrophobicContact CB-CB 4.11Å; A29-C119 PolarHBondContact O-SG 3.4Å; A29-C119 VanDerWaalsContact O-SG 3.38Å; I33-C119 HydrophobicContact CB-CB 4.42Å; I33-C119 HydrophobicContact CD1-CB 4.5Å; T115-C119 PolarHBondContact O-N 2.84Å; T115-C119 PolarHBondContact O-SG 3.13Å; G116-C119 PolarHBondContact O-N 3.33Å; G116-C119 VanDerWaalsContact O-N 3.1Å; L117-C119 VanDerWaalsContact C-N 3.32Å; L117-C119 PolarHBondContact O-N 3.48Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 3.01Å; C119-V122 PolarHBondContact O-N 2.88Å; C119-V122 VanDerWaalsContact O-N 3.17Å; C119-W123 HydrophobicContact CB-CE3 4.44Å; C119-W123 HydrophobicContact CB-CH2 4.15Å; C119-W123 HydrophobicContact CB-CZ2 4.37Å; C119-W123 HydrophobicContact CB-CZ3 4.17Å; C119-W123 PolarHBondContact O-N 2.94Å |
| 120 | D | 96.6 | Very high | 95 | Very high | 96 Ų | 96 | 42.4 Ų | 42.4 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.5 | -45 | 176.3 | -69.1 | -24.1 | 0 | 0 | 0 | 111.6 | G116 W123 Y124 | G116-D120 PolarHBondContact O-N 3.27Å; D120-W123 PolarHBondContact O-N 3.29Å; D120-Y124 VanDerWaalsContact O-CB 3.28Å; D120-Y124 WeakPolarHBondContact O-CB 3.41Å; D120-Y124 PolarHBondContact O-N 3.13Å |
| 121 | L | 96.9 | Very high | 95 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67 | -35.9 | 177.6 | -70.2 | 174.4 | 0 | 0 | 0 | 112.5 | F83 L90 L97 L117 L118 C119 F125 | F83-L121 HydrophobicContact CE1-CD2 3.9Å; F83-L121 HydrophobicContact CZ-CD2 4.2Å; L90-L121 HydrophobicContact CD1-CB 4.26Å; L90-L121 HydrophobicContact CD1-CD2 3.82Å; L97-L121 HydrophobicContact CD1-CD1 3.54Å; L117-L121 HydrophobicContact CD1-CD1 3.99Å; L117-L121 HydrophobicContact CD1-CG 4.09Å; L117-L121 HydrophobicContact CG-CD1 4Å; L117-L121 HydrophobicContact CG-CG 4.47Å; L117-L121 WeakPolarHBondContact O-CB 3.16Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.24Å; L117-L121 PolarHBondContact O-N 3.36Å; L118-L121 PolarHBondContact O-N 2.9Å; C119-L121 VanDerWaalsContact C-N 3.33Å; C119-L121 PolarHBondContact O-N 3.01Å; L121-F125 WeakPolarHBondContact O-CB 3.5Å; L121-F125 PolarHBondContact O-N 2.92Å |
| 122 | V | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | 177 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | C25 A29 L48 C94 L118 C119 F125 A126 | C25-V122 HydrophobicContact CB-CG1 3.82Å; C25-V122 WeakPolarHBondContact O-CG1 3.38Å; A29-V122 HydrophobicContact CB-CB 4.11Å; A29-V122 HydrophobicContact CB-CG1 3.79Å; L48-V122 HydrophobicContact CD1-CG1 4.01Å; L48-V122 HydrophobicContact CD1-CG2 3.97Å; L48-V122 HydrophobicContact CD2-CG2 3.99Å; L48-V122 HydrophobicContact CG-CG2 4.47Å; C94-V122 HydrophobicContact CB-CG2 4.21Å; L118-V122 HydrophobicContact CD1-CG2 3.86Å; L118-V122 HydrophobicContact CG-CG2 4.34Å; L118-V122 WeakPolarHBondContact O-CB 3.41Å; L118-V122 WeakPolarHBondContact O-CG2 3.42Å; L118-V122 PolarHBondContact O-N 3.36Å; C119-V122 PolarHBondContact O-N 2.88Å; C119-V122 VanDerWaalsContact O-N 3.17Å; V122-F125 PolarHBondContact O-N 3.48Å; V122-A126 WeakPolarHBondContact O-CB 3.2Å; V122-A126 PolarHBondContact O-N 3.07Å |
| 123 | W | 96.4 | Very high | 94.8 | Very high | 82 Ų | 82 | 42.1 Ų | 42.1 | 31% | 0.311 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 174.9 | -66.4 | -40 | 0 | 0 | 0 | 111.1 | A29 I33 C119 D120 F125 A126 D127 | A29-W123 HydrophobicContact CB-CZ2 4.47Å; I33-W123 HydrophobicContact CG2-CH2 4.05Å; I33-W123 HydrophobicContact CG2-CZ2 4.19Å; C119-W123 HydrophobicContact CB-CE3 4.44Å; C119-W123 HydrophobicContact CB-CH2 4.15Å; C119-W123 HydrophobicContact CB-CZ2 4.37Å; C119-W123 HydrophobicContact CB-CZ3 4.17Å; C119-W123 PolarHBondContact O-N 2.94Å; D120-W123 PolarHBondContact O-N 3.29Å; W123-F125 VanDerWaalsContact C-N 3.29Å; W123-F125 PolarHBondContact O-N 2.95Å; W123-A126 PolarHBondContact O-N 3.05Å; W123-D127 WeakPolarHBondContact O-CB 3.28Å; W123-D127 PolarHBondContact O-N 2.78Å |
| 124 | Y | 94.7 | Very high | 94.7 | Very high | 71 Ų | 71 | 40.3 Ų | 40.3 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.1 | -42 | 175.8 | 178.4 | -91.4 | 0 | 0 | 0 | 112 | P81 F83 P85 L90 D120 G128 | P81-Y124 HydrophobicContact CB-CE2 4.22Å; F83-Y124 AromaticContact CD1-CD1 3.89Å; F83-Y124 HydrophobicContact CD1-CD1 3.89Å; F83-Y124 HydrophobicContact CD1-CD2 4.46Å; F83-Y124 AromaticContact CD1-CE1 3.63Å; F83-Y124 HydrophobicContact CD1-CE1 3.63Å; F83-Y124 HydrophobicContact CD1-CE2 4.17Å; F83-Y124 HydrophobicContact CD1-CG 4.35Å; F83-Y124 AromaticContact CD1-CZ 3.79Å; F83-Y124 HydrophobicContact CE1-CD1 4.02Å; F83-Y124 AromaticContact CE1-CE1 3.97Å; F83-Y124 HydrophobicContact CE1-CE1 3.97Å; F83-Y124 PolarHBondContact O-OH 3.32Å; P85-Y124 HydrophobicContact CG-CE1 4.23Å; L90-Y124 HydrophobicContact CD1-CD1 4.33Å; L90-Y124 HydrophobicContact CD2-CD1 3.44Å; L90-Y124 VanDerWaalsContact CD2-CD1 3.44Å; L90-Y124 HydrophobicContact CD2-CE1 3.6Å; D120-Y124 VanDerWaalsContact O-CB 3.28Å; D120-Y124 WeakPolarHBondContact O-CB 3.41Å; D120-Y124 PolarHBondContact O-N 3.13Å; Y124-G128 PolarHBondContact O-N 2.78Å |
| 125 | F | 95.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -48.6 | 175.6 | 178.4 | -122.7 | 0 | 0 | 0 | 112.5 | L52 L55 L59 A87 L90 C91 L121 V122 W123 G128 L129 | L52-F125 HydrophobicContact CD2-CD1 3.95Å; L52-F125 HydrophobicContact CD2-CE1 3.76Å; L55-F125 HydrophobicContact CD1-CE1 3.88Å; L59-F125 HydrophobicContact CD1-CE2 4.32Å; L59-F125 HydrophobicContact CD1-CZ 4.22Å; L59-F125 HydrophobicContact CD2-CE2 4.02Å; L59-F125 HydrophobicContact CD2-CZ 3.82Å; A87-F125 HydrophobicContact CB-CE2 4.46Å; A87-F125 WeakPolarHBondContact O-CE2 3.49Å; L90-F125 HydrophobicContact CB-CD2 4.32Å; L90-F125 HydrophobicContact CD2-CB 3.69Å; L90-F125 HydrophobicContact CD2-CD2 3.76Å; L90-F125 HydrophobicContact CD2-CG 4.19Å; L90-F125 HydrophobicContact CG-CB 3.91Å; L90-F125 HydrophobicContact CG-CD2 3.89Å; L90-F125 HydrophobicContact CG-CG 4.23Å; C91-F125 HydrophobicContact CB-CE1 4.46Å; C91-F125 HydrophobicContact CB-CE2 3.99Å; C91-F125 HydrophobicContact CB-CZ 3.75Å; L121-F125 WeakPolarHBondContact O-CB 3.5Å; L121-F125 PolarHBondContact O-N 2.92Å; V122-F125 PolarHBondContact O-N 3.48Å; W123-F125 VanDerWaalsContact C-N 3.29Å; W123-F125 PolarHBondContact O-N 2.95Å; F125-G128 PolarHBondContact O-N 3.3Å; F125-L129 HydrophobicContact CD1-CD1 4.14Å; F125-L129 HydrophobicContact CD2-CG 4.37Å; F125-L129 HydrophobicContact CE1-CD1 3.7Å; F125-L129 HydrophobicContact CE1-CG 4.48Å; F125-L129 HydrophobicContact CE2-CD1 4.17Å; F125-L129 HydrophobicContact CE2-CD2 4.14Å; F125-L129 HydrophobicContact CE2-CG 4.13Å; F125-L129 HydrophobicContact CZ-CD1 3.74Å; F125-L129 HydrophobicContact CZ-CD2 4.31Å; F125-L129 HydrophobicContact CZ-CG 4.21Å; F125-L129 WeakPolarHBondContact O-CG 3.32Å; F125-L129 PolarHBondContact O-N 2.82Å |
| 126 | A | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A22 E26 V122 W123 L129 K130 | A22-A126 HydrophobicContact CB-CB 4.15Å; E26-A126 HydrophobicContact CG-CB 3.31Å; E26-A126 WeakPolarHBondContact OE1-CB 3.48Å; V122-A126 WeakPolarHBondContact O-CB 3.2Å; V122-A126 PolarHBondContact O-N 3.07Å; W123-A126 PolarHBondContact O-N 3.05Å; A126-L129 PolarHBondContact O-N 3.29Å; A126-K130 WeakPolarHBondContact O-CE 3.19Å; A126-K130 WeakPolarHBondContact O-CG 3.41Å; A126-K130 PolarHBondContact O-N 3.43Å |
| 127 | D | 92.6 | Very high | 94.1 | Very high | 98 Ų | 98 | 47.1 Ų | 47.1 | 52% | 0.524 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.1 | -45.3 | 172.3 | -81.2 | -16.1 | 0 | 0 | 0 | 111.2 | W123 L129 K130 A131 | W123-D127 WeakPolarHBondContact O-CB 3.28Å; W123-D127 PolarHBondContact O-N 2.78Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.38Å; D127-K130 CarbonylContact O-C 3.45Å; D127-K130 PolarHBondContact O-N 2.95Å; D127-K130 VanDerWaalsContact O-N 3.08Å; D127-K130 IonicContact OD1-NZ 3.99Å; D127-A131 WeakPolarHBondContact O-CB 3.5Å; D127-A131 PolarHBondContact O-N 2.92Å |
| 128 | G | 91.8 | Very high | 93.7 | Very high | 32 Ų | 32 | 50.2 Ų | 50.2 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.5 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y124 F125 K130 A131 R133 | Y124-G128 PolarHBondContact O-N 2.78Å; F125-G128 PolarHBondContact O-N 3.3Å; G128-K130 VanDerWaalsContact C-N 3.28Å; G128-K130 PolarHBondContact O-N 3.39Å; G128-A131 PolarHBondContact O-N 3.2Å; G128-R133 PolarHBondContact O-NH1 2.56Å; G128-R133 PolarHBondContact O-NH2 2.81Å |
| 129 | L | 92.9 | Very high | 93.3 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -32 | 175.4 | -69.6 | -179.5 | 0 | 0 | 0 | 112.9 | A22 L55 L59 F71 F125 A126 D127 | A22-L129 HydrophobicContact CB-CB 4.39Å; A22-L129 HydrophobicContact CB-CD1 4.02Å; L55-L129 HydrophobicContact CD1-CD1 4.04Å; L55-L129 HydrophobicContact CD2-CD1 3.95Å; L59-L129 HydrophobicContact CD2-CD2 3.51Å; F71-L129 WeakPolarHBondContact CE1-O 3.33Å; F71-L129 WeakPolarHBondContact CZ-O 3.39Å; F125-L129 HydrophobicContact CD1-CD1 4.14Å; F125-L129 HydrophobicContact CD2-CG 4.37Å; F125-L129 HydrophobicContact CE1-CD1 3.7Å; F125-L129 HydrophobicContact CE1-CG 4.48Å; F125-L129 HydrophobicContact CE2-CD1 4.17Å; F125-L129 HydrophobicContact CE2-CD2 4.14Å; F125-L129 HydrophobicContact CE2-CG 4.13Å; F125-L129 HydrophobicContact CZ-CD1 3.74Å; F125-L129 HydrophobicContact CZ-CD2 4.31Å; F125-L129 HydrophobicContact CZ-CG 4.21Å; F125-L129 WeakPolarHBondContact O-CG 3.32Å; F125-L129 PolarHBondContact O-N 2.82Å; A126-L129 PolarHBondContact O-N 3.29Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 3.38Å |
| 130 | K | 92.1 | Very high | 92.9 | Very high | 62 Ų | 62 | 58.2 Ų | 58.2 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -96.2 | -7 | -178.4 | -65.7 | 176.7 | -65.6 | 170.7 | 0 | 113.6 | A22 D23 E26 A126 D127 G128 | A22-K130 HydrophobicContact CB-CD 4.49Å; A22-K130 HydrophobicContact CB-CG 4.46Å; D23-K130 IonicContact OD1-NZ 3.89Å; E26-K130 WeakPolarHBondContact OE1-CE 3.18Å; E26-K130 IonicContact OE1-NZ 2.63Å; E26-K130 PolarHBondContact OE1-NZ 3.41Å; E26-K130 IonicContact OE2-NZ 2.68Å; E26-K130 PolarHBondContact OE2-NZ 3.03Å; A126-K130 WeakPolarHBondContact O-CE 3.19Å; A126-K130 WeakPolarHBondContact O-CG 3.41Å; A126-K130 PolarHBondContact O-N 3.43Å; D127-K130 CarbonylContact O-C 3.45Å; D127-K130 PolarHBondContact O-N 2.95Å; D127-K130 VanDerWaalsContact O-N 3.08Å; D127-K130 IonicContact OD1-NZ 3.99Å; G128-K130 VanDerWaalsContact C-N 3.28Å; G128-K130 PolarHBondContact O-N 3.39Å |
| 131 | A | 91.2 | Very high | 92.6 | Very high | 36 Ų | 36 | 56.7 Ų | 56.7 | 30% | 0.298 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -61.9 | 150.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F71 D127 G128 R133 | F71-A131 WeakPolarHBondContact CD1-O 3.41Å; F71-A131 WeakPolarHBondContact CE1-O 3.25Å; D127-A131 WeakPolarHBondContact O-CB 3.5Å; D127-A131 PolarHBondContact O-N 2.92Å; G128-A131 PolarHBondContact O-N 3.2Å; A131-R133 PolarHBondContact O-NH1 2.78Å |
| 132 | P | 91.2 | Very high | 92.3 | Very high | 40 Ų | 40 | 59.9 Ų | 59.9 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | trans | -54 | 145.9 | 177.2 | -25.8 | 35.4 | 0 | 0 | 0 | 112.6 | V73 | V73-P132 HydrophobicContact CB-CB 4.44Å; V73-P132 HydrophobicContact CB-CG 4.44Å; V73-P132 HydrophobicContact CG1-CB 3.86Å; V73-P132 HydrophobicContact CG1-CG 3.59Å; V73-P132 HydrophobicContact CG2-CB 3.72Å; V73-P132 HydrophobicContact CG2-CG 3.99Å | ||
| 133 | R | 90.9 | Very high | 91.8 | Very high | 91 Ų | 91 | 63.9 Ų | 63.9 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | trans | -120.6 | -20.1 | 175.4 | -63.9 | -65.6 | -172.6 | -89.1 | -2.9 | 112.3 | I63 F71 G128 A131 P143 C144 | I63-R133 HydrophobicContact CD1-CB 4.29Å; I63-R133 HydrophobicContact CD1-CG 3.63Å; F71-R133 HydrophobicContact CB-CB 4.31Å; F71-R133 HydrophobicContact CB-CG 4.47Å; F71-R133 HydrophobicContact CD1-CG 3.93Å; F71-R133 PolarHBondContact O-N 2.88Å; G128-R133 PolarHBondContact O-NH1 2.56Å; G128-R133 PolarHBondContact O-NH2 2.81Å; A131-R133 PolarHBondContact O-NH1 2.78Å; R133-P143 WeakPolarHBondContact O-CA 3.47Å; R133-C144 PolarHBondContact O-N 2.89Å | ||
| 134 | W | 93.5 | Very high | 91.2 | Very high | 62 Ų | 62 | 61.7 Ų | 61.7 | 24% | 0.235 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 149.8 | 176.2 | -59.2 | -82.2 | 0 | 0 | 0 | 112 | I63 I68 F71 T72 V73 V141 Q142 C144 | I63-W134 HydrophobicContact CB-CH2 3.99Å; I63-W134 HydrophobicContact CB-CZ3 4.44Å; I63-W134 HydrophobicContact CD1-CH2 3.76Å; I63-W134 HydrophobicContact CD1-CZ3 3.81Å; I63-W134 HydrophobicContact CG1-CH2 4.36Å; I63-W134 HydrophobicContact CG2-CH2 4.33Å; I63-W134 HydrophobicContact CG2-CZ3 4.34Å; I68-W134 HydrophobicContact CB-CZ3 4.43Å; I68-W134 HydrophobicContact CG1-CH2 4.27Å; I68-W134 HydrophobicContact CG1-CZ3 4.27Å; I68-W134 HydrophobicContact CG2-CE3 4.12Å; I68-W134 HydrophobicContact CG2-CZ3 4.21Å; F71-W134 HydrophobicContact CB-CE3 3.71Å; F71-W134 HydrophobicContact CB-CZ3 3.62Å; F71-W134 HydrophobicContact CG-CZ3 4.46Å; F71-W134 PolarHBondContact O-N 3.31Å; T72-W134 WeakPolarHBondContact CA-O 3.3Å; T72-W134 HydrophobicContact CG2-CB 4.19Å; V73-W134 PolarHBondContact N-O 2.95Å; W134-V141 HydrophobicContact CB-CG1 3.54Å; W134-V141 HydrophobicContact CG-CG1 3.89Å; W134-Q142 CarbonylContact C-O 3.48Å; W134-Q142 WeakPolarHBondContact CA-O 3.18Å; W134-Q142 WeakPolarHBondContact CB-O 3.44Å; W134-C144 PolarHBondContact N-SG 3.18Å |
| 135 | I | 92.9 | Very high | 89.9 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 18% | 0.179 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.9 | 168.9 | 179.5 | 161.5 | 0 | 0 | 0 | 109.8 | V73 L76 T137 Q142 | V73-I135 CarbonylContact O-C 3.52Å; V73-I135 VanDerWaalsContact O-CA 3.25Å; V73-I135 WeakPolarHBondContact O-CA 3.49Å; L76-I135 HydrophobicContact CD1-CD1 4.19Å; L76-I135 HydrophobicContact CG-CB 4.42Å; L76-I135 HydrophobicContact CG-CD1 3.85Å; I135-T137 HydrophobicContact CG1-CG2 4.21Å; I135-T137 HydrophobicContact CG2-CG2 4.16Å; I135-Q142 HydrophobicContact CG2-CB 4.33Å; I135-Q142 PolarHBondContact N-O 3.29Å; I135-Q142 PolarHBondContact O-N 3.41Å |
| 136 | R | 92.1 | Very high | 89.6 | Confident | 114 Ų | 114 | 74 Ų | 74 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 115.8 | 171.4 | -170.5 | 179.8 | -52.3 | -66.2 | -1.8 | 109.3 | T72 V73 D74 | T72-R136 HydrophobicContact CG2-CB 4.18Å; V73-R136 PolarHBondContact O-N 2.84Å; D74-R136 WeakPolarHBondContact OD1-CB 3.42Å; D74-R136 WeakPolarHBondContact OD1-CD 3.37Å; D74-R136 IonicContact OD1-NE 2.86Å |
| 137 | T | 89.9 | Confident | 89.3 | Confident | 54 Ų | 54 | 77.9 Ų | 77.9 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 173.6 | 175.6 | 75.5 | 0 | 0 | 0 | 0 | 110.4 | I135 D139 G140 Q142 | I135-T137 HydrophobicContact CG1-CG2 4.21Å; I135-T137 HydrophobicContact CG2-CG2 4.16Å; T137-D139 PolarHBondContact O-N 3.09Å; T137-D139 PolarHBondContact OG1-N 3.11Å; T137-G140 PolarHBondContact N-O 3.09Å; T137-G140 PolarHBondContact O-N 2.84Å; T137-G140 VanDerWaalsContact O-N 3.09Å; T137-G140 PolarHBondContact OG1-O 2.91Å; T137-G140 VanDerWaalsContact OG1-O 3.11Å; T137-Q142 HydrophobicContact CG2-CG 4.37Å |
| 138 | T | 89.7 | Confident | 89.2 | Confident | 143 Ų | 143 | 76.8 Ų | 76.8 | 88% | 0.877 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -22.7 | 171.5 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 139 | D | 88 | Confident | 89 | Confident | 137 Ų | 137 | 79.4 Ų | 79.4 | 73% | 0.733 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.8 | 179.9 | -55.5 | -35.8 | 0 | 0 | 0 | 112.4 | T137 | T137-D139 PolarHBondContact O-N 3.09Å; T137-D139 PolarHBondContact OG1-N 3.11Å |
| 140 | G | 89.8 | Confident | 88.8 | Confident | 31 Ų | 31 | 83.6 Ų | 83.6 | 32% | 0.32 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.7 | -162.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T137 | T137-G140 PolarHBondContact N-O 3.09Å; T137-G140 PolarHBondContact O-N 2.84Å; T137-G140 VanDerWaalsContact O-N 3.09Å; T137-G140 PolarHBondContact OG1-O 2.91Å; T137-G140 VanDerWaalsContact OG1-O 3.11Å |
| 141 | V | 89.7 | Confident | 88.5 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 39% | 0.388 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 120.2 | -178.8 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | T72 W134 | T72-V141 HydrophobicContact CG2-CG1 4.03Å; T72-V141 HydrophobicContact CG2-CG2 4.32Å; W134-V141 HydrophobicContact CB-CG1 3.54Å; W134-V141 HydrophobicContact CG-CG1 3.89Å |
| 142 | Q | 90 | Very high | 88.4 | Confident | 89 Ų | 89 | 88.6 Ų | 88.6 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 148.9 | -179.4 | -56.9 | -58.3 | -45.9 | 0 | 0 | 110.4 | W134 I135 T137 | W134-Q142 CarbonylContact C-O 3.48Å; W134-Q142 WeakPolarHBondContact CA-O 3.18Å; W134-Q142 WeakPolarHBondContact CB-O 3.44Å; I135-Q142 HydrophobicContact CG2-CB 4.33Å; I135-Q142 PolarHBondContact N-O 3.29Å; I135-Q142 PolarHBondContact O-N 3.41Å; T137-Q142 HydrophobicContact CG2-CG 4.37Å |
| 143 | P | 87.1 | Confident | 88.1 | Confident | 84 Ų | 84 | 92.3 Ų | 92.3 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 144.1 | 170.8 | -21.2 | 33.3 | 0 | 0 | 0 | 111.8 | R133 Q145 | R133-P143 WeakPolarHBondContact O-CA 3.47Å; P143-Q145 PolarHBondContact O-N 3.2Å |
| 144 | C | 84.2 | Confident | 87.9 | Confident | 36 Ų | 36 | 92.4 Ų | 92.4 | 24% | 0.243 | 49% | 0.493 | C | S | . | . | trans | -65.7 | 125.3 | 164.7 | -54 | 0 | 0 | 0 | 0 | 108 | L76 R133 W134 | L76-C144 HydrophobicContact CD2-CB 4.12Å; L76-C144 WeakPolarHBondContact CD2-SG 3.43Å; R133-C144 PolarHBondContact O-N 2.89Å; W134-C144 PolarHBondContact N-SG 3.18Å | ||
| 145 | Q | 67.9 | Low | 87.4 | Confident | 260 Ų | 260 | 95.2 Ų | 95.2 | 100% | 1.215 | 52% | 0.516 | S | S | * | . | trans | -76.4 | 0 | 176.5 | -64.3 | -154.7 | -82.4 | 0 | 0 | 111.9 | P143 | P143-Q145 PolarHBondContact O-N 3.2Š|
Retrieved 145 of 145 residues in 738 ms
(Link to these results)