| 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 | 31.8 | Very low | 27.6 | Very low | 244 Ų | 244 | 152.4 Ų | 152.4 | 100% | 1.202 | 84% | 0.838 | S | S | * | * | 0 | 172 | 0 | -71 | -177.2 | 173.3 | 0 | 0 | 108.7 | |||||
| 2 | A | 31.9 | Very low | 27.5 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | 62.5 | 79.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3 | S | 27.6 | Very low | 27.4 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -86.5 | 117.9 | 176.5 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | G | 28.1 | Very low | 27.4 | Very low | 70 Ų | 70 | 151.4 Ų | 151.4 | 72% | 0.722 | 83% | 0.831 | S | S | * | * | trans | -119.5 | 51.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N6 | G4-N6 PolarHBondContact O-N 2.56Š| ||
| 5 | N | 28.8 | Very low | 27.3 | Very low | 150 Ų | 150 | 148.1 Ų | 148.1 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | trans | -68.6 | 95.7 | -174.4 | -77.8 | 8.8 | 0 | 0 | 0 | 112.8 | ||||
| 6 | N | 24.5 | Very low | 27.5 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -96.5 | 82.7 | 159.6 | -94.2 | -54.2 | 0 | 0 | 0 | 109.6 | G4 | G4-N6 PolarHBondContact O-N 2.56Š| ||
| 7 | F | 24.8 | Very low | 27.6 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -107.5 | 164.7 | 164.2 | -105.3 | -97.5 | 0 | 0 | 0 | 110.6 | ||||
| 8 | D | 26.6 | Very low | 27.8 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 67% | 0.668 | 81% | 0.806 | S | S | * | * | trans | 56 | 69.9 | 174.2 | -65.4 | -28.8 | 0 | 0 | 0 | 117.8 | ||||
| 9 | K | 26.2 | Very low | 28 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -108.4 | 56.6 | 137.2 | -78.6 | 179.9 | -179.7 | 164.1 | 0 | 111.2 | K11 | K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 3.31Å | ||
| 10 | T | 25.5 | Very low | 28.4 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | -55.6 | 98.6 | 157.7 | 37.6 | 0 | 0 | 0 | 0 | 108.2 | G12 | T10-G12 VanDerWaalsContact C-N 3.32Å; T10-G12 PolarHBondContact O-N 2.72Å | ||
| 11 | K | 27.6 | Very low | 29.2 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -67.1 | 92.5 | -178.5 | -77.5 | 174.5 | -178 | 162.5 | 0 | 108.9 | K9 | K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 3.31Å | ||
| 12 | G | 26.3 | Very low | 29.7 | Very low | 62 Ų | 62 | 136.4 Ų | 136.4 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | -49.4 | 143.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T10 R14 | T10-G12 VanDerWaalsContact C-N 3.32Å; T10-G12 PolarHBondContact O-N 2.72Å; G12-R14 PolarHBondContact O-N 2.65Å | ||
| 13 | V | 27 | Very low | 30.6 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 89% | 0.885 | 73% | 0.729 | S | S | * | * | trans | -40.8 | 105 | -178.4 | 177 | 0 | 0 | 0 | 0 | 110 | S15 | V13-S15 PolarHBondContact O-N 2.62Å; V13-S15 VanDerWaalsContact O-N 3.09Å | ||
| 14 | R | 26.6 | Very low | 32.2 | Very low | 235 Ų | 235 | 132.9 Ų | 132.9 | 89% | 0.887 | 72% | 0.716 | S | S | * | * | trans | -61 | 119.7 | 176.6 | -90.5 | -176.3 | 166.9 | 176 | -4.4 | 107.3 | G12 V16 | G12-R14 PolarHBondContact O-N 2.65Å; R14-V16 PolarHBondContact O-N 3.36Å | ||
| 15 | S | 26.7 | Very low | 34.1 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | trans | -46.3 | 132 | 176.2 | 49.2 | 0 | 0 | 0 | 0 | 110.1 | V13 G17 | V13-S15 PolarHBondContact O-N 2.62Å; V13-S15 VanDerWaalsContact O-N 3.09Å; S15-G17 WeakPolarHBondContact O-CA 3.26Å; S15-G17 PolarHBondContact O-N 3.06Å | ||
| 16 | V | 30.4 | Very low | 36.5 | Very low | 143 Ų | 143 | 128 Ų | 128 | 87% | 0.867 | 67% | 0.667 | S | S | * | * | trans | -50.8 | 112.2 | 171.9 | 175.6 | 0 | 0 | 0 | 0 | 106.6 | R14 K18 | R14-V16 PolarHBondContact O-N 3.36Å; V16-K18 PolarHBondContact O-N 3.36Å | ||
| 17 | G | 28.1 | Very low | 39.1 | Very low | 42 Ų | 42 | 120.3 Ų | 120.3 | 43% | 0.433 | 63% | 0.626 | S | S | . | * | trans | -60.2 | 143.5 | -159.9 | 0 | 0 | 0 | 0 | 0 | 111 | S15 H19 | S15-G17 WeakPolarHBondContact O-CA 3.26Å; S15-G17 PolarHBondContact O-N 3.06Å; G17-H19 VanDerWaalsContact C-N 3.28Å; G17-H19 PolarHBondContact O-CD2 3.02Å; G17-H19 PolarHBondContact O-N 2.77Å | ||
| 18 | K | 31.2 | Very low | 41.4 | Very low | 198 Ų | 198 | 114.6 Ų | 114.6 | 86% | 0.861 | 60% | 0.602 | S | S | * | * | trans | -62.1 | 102.7 | 153.8 | -71.1 | 176.6 | -179.6 | 172.7 | 0 | 105.5 | V16 N20 | V16-K18 PolarHBondContact O-N 3.36Å; K18-N20 PolarHBondContact O-N 2.76Å | ||
| 19 | H | 33.2 | Very low | 43.9 | Very low | 120 Ų | 120 | 110.6 Ų | 110.6 | 56% | 0.556 | 58% | 0.577 | S | S | * | * | trans | -64.7 | 83 | 174.8 | -83.7 | -126.1 | 0 | 0 | 0 | 108 | G17 I21 E811 | G17-H19 VanDerWaalsContact C-N 3.28Å; G17-H19 PolarHBondContact O-CD2 3.02Å; G17-H19 PolarHBondContact O-N 2.77Å; H19-I21 PolarHBondContact O-N 2.87Å; H19-E811 IonicContact CE1-OE1 3.69Å; H19-E811 IonicContact CE1-OE2 3.61Å; H19-E811 PolarHBondContact CE1-OE2 2.9Å; H19-E811 IonicContact CG-OE1 3.76Å; H19-E811 IonicContact ND1-OE1 2.81Å; H19-E811 PolarHBondContact ND1-OE1 3.04Å; H19-E811 IonicContact ND1-OE2 3.23Å; H19-E811 PolarHBondContact ND1-OE2 3.03Å | ||
| 20 | N | 35.5 | Very low | 46.5 | Very low | 136 Ų | 136 | 102.8 Ų | 102.8 | 73% | 0.727 | 55% | 0.547 | S | S | * | . | trans | -56.8 | 122.4 | 170.8 | -76.6 | -10.4 | 0 | 0 | 0 | 107.3 | K18 K22 | K18-N20 PolarHBondContact O-N 2.76Å; N20-K22 PolarHBondContact O-N 3.13Å | ||
| 21 | I | 44.8 | Very low | 49.2 | Very low | 72 Ų | 72 | 99 Ų | 99 | 37% | 0.369 | 53% | 0.525 | S | S | . | . | trans | -56.6 | 109.1 | 179.6 | -60.6 | 164.6 | 0 | 0 | 0 | 107.2 | H19 G23 L813 A882 | H19-I21 PolarHBondContact O-N 2.87Å; I21-G23 PolarHBondContact O-N 2.7Å; I21-L813 HydrophobicContact CG2-CB 4.15Å; I21-A882 HydrophobicContact CD1-CB 4.09Å | ||
| 22 | K | 43.4 | Very low | 51.4 | Low | 175 Ų | 175 | 91.4 Ų | 91.4 | 76% | 0.761 | 51% | 0.505 | S | S | * | . | trans | -74.8 | 71 | -174.1 | -74.2 | -170.5 | 176.4 | -179.1 | 0 | 111.1 | N20 Y25 | N20-K22 PolarHBondContact O-N 3.13Å; K22-Y25 WeakPolarHBondContact O-CE2 3.49Å; K22-Y25 VanDerWaalsContact O-CZ 3.3Å; K22-Y25 PolarHBondContact O-OH 3.06Å; K22-Y25 VanDerWaalsContact O-OH 3.1Å | ||
| 23 | G | 50.7 | Low | 54.1 | Low | 46 Ų | 46 | 90.1 Ų | 90.1 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | trans | 82 | 166.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I21 | I21-G23 PolarHBondContact O-N 2.7Š| ||
| 24 | L | 60.2 | Low | 56.8 | Low | 103 Ų | 103 | 87 Ų | 87 | 54% | 0.539 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.2 | 171.5 | -177.7 | 73.4 | 0 | 0 | 0 | 108.1 | L813 I820 | L24-L813 HydrophobicContact CD1-CB 4.13Å; L24-L813 HydrophobicContact CD1-CD2 3.75Å; L24-L813 HydrophobicContact CD1-CG 3.63Å; L24-I820 HydrophobicContact CD1-CD1 4.08Å |
| 25 | Y | 68.8 | Low | 59.6 | Low | 95 Ų | 95 | 80.5 Ų | 80.5 | 37% | 0.373 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 150.9 | 178.9 | -62.8 | -83.5 | 0 | 0 | 0 | 111.3 | K22 K812 L813 S814 W815 | K22-Y25 WeakPolarHBondContact O-CE2 3.49Å; K22-Y25 VanDerWaalsContact O-CZ 3.3Å; K22-Y25 PolarHBondContact O-OH 3.06Å; K22-Y25 VanDerWaalsContact O-OH 3.1Å; Y25-K812 HydrophobicContact CD2-CB 4.04Å; Y25-K812 HydrophobicContact CE2-CB 4.12Å; Y25-K812 HydrophobicContact CE2-CD 4.17Å; Y25-K812 HydrophobicContact CE2-CG 4.12Å; Y25-L813 PolarHBondContact N-O 2.75Å; Y25-S814 CarbonylContact O-C 3.51Å; Y25-S814 WeakPolarHBondContact O-CA 3.4Å; Y25-W815 PolarHBondContact O-N 3.45Å |
| 26 | L | 78.9 | Confident | 62.4 | Low | 24 Ų | 24 | 77.6 Ų | 77.6 | 13% | 0.126 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -65.1 | -55.9 | 168.7 | -70.3 | 165.1 | 0 | 0 | 0 | 109.8 | C30 I34 L37 V220 S814 W815 | L26-C30 HydrophobicContact CB-CB 4.49Å; L26-I34 HydrophobicContact CD1-CG1 3.91Å; L26-I34 HydrophobicContact CD2-CG1 4Å; L26-L37 HydrophobicContact CB-CD2 4.26Å; L26-L37 HydrophobicContact CD1-CD2 4.12Å; L26-L37 HydrophobicContact CD1-CG 4.36Å; L26-V220 HydrophobicContact CB-CG2 4.32Å; L26-V220 VanDerWaalsContact O-CG1 3.28Å; L26-V220 WeakPolarHBondContact O-CG1 3.15Å; L26-S814 PolarHBondContact O-OG 3.4Å; L26-W815 HydrophobicContact CD2-CD2 3.75Å; L26-W815 HydrophobicContact CD2-CE3 3.73Å; L26-W815 HydrophobicContact CD2-CG 4.33Å; L26-W815 HydrophobicContact CD2-CH2 4.25Å; L26-W815 HydrophobicContact CD2-CZ2 4.22Å; L26-W815 HydrophobicContact CD2-CZ3 4Å; L26-W815 VanDerWaalsContact O-CB 3.31Å; L26-W815 WeakPolarHBondContact O-CB 3.28Å; L26-W815 PolarHBondContact O-N 3.09Å; L26-W815 VanDerWaalsContact O-N 3.15Å |
| 27 | F | 79.3 | Confident | 65.2 | Low | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -146.6 | 165.1 | 165.5 | 64.7 | -81.9 | 0 | 0 | 0 | 109 | R29 C30 L37 K38 F39 V220 R223 S814 | F27-R29 PolarHBondContact O-N 2.99Å; F27-C30 HydrophobicContact CD1-CB 3.69Å; F27-C30 HydrophobicContact CD2-CB 4.22Å; F27-C30 HydrophobicContact CE1-CB 3.45Å; F27-C30 VanDerWaalsContact CE1-CB 3.45Å; F27-C30 WeakPolarHBondContact CE1-SG 3.36Å; F27-C30 HydrophobicContact CE2-CB 4Å; F27-C30 HydrophobicContact CG-CB 4.05Å; F27-C30 VanDerWaalsContact CZ-CA 3.5Å; F27-C30 HydrophobicContact CZ-CB 3.61Å; F27-C30 VanDerWaalsContact O-CB 3.24Å; F27-C30 WeakPolarHBondContact O-CB 3.45Å; F27-C30 PolarHBondContact O-N 3.05Å; F27-L37 HydrophobicContact CD1-CD2 4.04Å; F27-L37 HydrophobicContact CE1-CB 4.09Å; F27-L37 HydrophobicContact CE1-CD2 3.87Å; F27-L37 HydrophobicContact CE1-CG 4.45Å; F27-K38 WeakPolarHBondContact CZ-O 3.49Å; F27-F39 HydrophobicContact CD2-CE1 4.16Å; F27-F39 AromaticContact CE2-CD1 3.72Å; F27-F39 HydrophobicContact CE2-CD1 3.72Å; F27-F39 AromaticContact CE2-CE1 3.62Å; F27-F39 HydrophobicContact CE2-CE1 3.62Å; F27-F39 HydrophobicContact CE2-CG 4.4Å; F27-F39 HydrophobicContact CE2-CZ 4.23Å; F27-V220 HydrophobicContact CB-CG1 4.42Å; F27-V220 HydrophobicContact CD1-CG2 4.43Å; F27-R223 HydrophobicContact CD2-CB 3.81Å; F27-R223 HydrophobicContact CE2-CB 3.81Å; F27-R223 HydrophobicContact CE2-CG 4.3Å; F27-R223 HydrophobicContact CG-CB 4.24Å; F27-R223 HydrophobicContact CZ-CB 4.22Å; F27-R223 HydrophobicContact CZ-CG 4.35Å; F27-S814 WeakPolarHBondContact CA-OG 3.28Å |
| 28 | E | 72.4 | Confident | 68 | Low | 65 Ų | 65 | 71.6 Ų | 71.6 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 132.9 | 178 | -179 | 152.5 | -131.6 | 0 | 0 | 110.9 | C30 L227 K812 | E28-C30 VanDerWaalsContact C-N 3.3Å; E28-C30 PolarHBondContact O-N 3.35Å; E28-L227 HydrophobicContact CB-CD2 3.88Å; E28-L227 HydrophobicContact CG-CD2 3.86Å; E28-K812 WeakPolarHBondContact OE1-CD 3.32Å; E28-K812 IonicContact OE1-NZ 2.87Å; E28-K812 PolarHBondContact OE1-NZ 3.04Å |
| 29 | R | 78.3 | Confident | 70.7 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 16% | 0.158 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 28.4 | -175.2 | -63 | -174.7 | 62.9 | -176.9 | -6.7 | 115 | F27 F39 D40 D759 | F27-R29 PolarHBondContact O-N 2.99Å; R29-F39 HydrophobicContact CB-CD1 4.35Å; R29-F39 CarbonylContact O-C 3.57Å; R29-F39 WeakPolarHBondContact O-CA 3.4Å; R29-D40 WeakPolarHBondContact CB-OD2 3.46Å; R29-D40 VanDerWaalsContact CG-OD2 3.31Å; R29-D40 WeakPolarHBondContact CG-OD2 3.43Å; R29-D40 IonicContact CZ-OD1 2.75Å; R29-D40 VanDerWaalsContact CZ-OD1 3.27Å; R29-D40 IonicContact CZ-OD2 2.63Å; R29-D40 IonicContact NE-OD1 3.98Å; R29-D40 PolarHBondContact NE-OD1 3.07Å; R29-D40 IonicContact NE-OD2 3.67Å; R29-D40 PolarHBondContact NE-OD2 3.42Å; R29-D40 IonicContact NH2-OD1 2.68Å; R29-D40 PolarHBondContact NH2-OD1 2.99Å; R29-D40 IonicContact NH2-OD2 3.56Å; R29-D40 PolarHBondContact O-N 2.89Å; R29-D759 IonicContact CZ-OD1 3.6Å; R29-D759 VanDerWaalsContact CZ-OD1 3.3Å; R29-D759 IonicContact CZ-OD2 2.74Å; R29-D759 IonicContact NH1-OD1 3.07Å; R29-D759 PolarHBondContact NH1-OD1 2.87Å; R29-D759 IonicContact NH1-OD2 3.59Å; R29-D759 IonicContact NH2-OD1 2.71Å; R29-D759 PolarHBondContact NH2-OD1 3.18Å; R29-D759 VanDerWaalsContact NH2-OD1 3.09Å; R29-D759 IonicContact NH2-OD2 3.77Å; R29-D759 PolarHBondContact NH2-OD2 2.81Å |
| 30 | C | 82.5 | Confident | 73.2 | Confident | 33 Ų | 33 | 60 Ų | 60 | 22% | 0.223 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 132.8 | 170.2 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | L26 F27 E28 | L26-C30 HydrophobicContact CB-CB 4.49Å; F27-C30 HydrophobicContact CD1-CB 3.69Å; F27-C30 HydrophobicContact CD2-CB 4.22Å; F27-C30 HydrophobicContact CE1-CB 3.45Å; F27-C30 VanDerWaalsContact CE1-CB 3.45Å; F27-C30 WeakPolarHBondContact CE1-SG 3.36Å; F27-C30 HydrophobicContact CE2-CB 4Å; F27-C30 HydrophobicContact CG-CB 4.05Å; F27-C30 VanDerWaalsContact CZ-CA 3.5Å; F27-C30 HydrophobicContact CZ-CB 3.61Å; F27-C30 VanDerWaalsContact O-CB 3.24Å; F27-C30 WeakPolarHBondContact O-CB 3.45Å; F27-C30 PolarHBondContact O-N 3.05Å; E28-C30 VanDerWaalsContact C-N 3.3Å; E28-C30 PolarHBondContact O-N 3.35Å |
| 31 | S | 80.6 | Confident | 75.6 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 171.9 | 162.2 | 85.6 | 0 | 0 | 0 | 0 | 110.7 | G33 K38 F39 | S31-G33 VanDerWaalsContact C-N 3.27Å; S31-G33 PolarHBondContact O-N 2.9Å; S31-K38 PolarHBondContact N-O 3.24Å; S31-K38 PolarHBondContact O-N 3.17Å; S31-K38 VanDerWaalsContact O-N 3.17Å; S31-K38 VanDerWaalsContact O-O 3.09Å; S31-K38 WeakPolarHBondContact OG-CE 3.42Å; S31-K38 WeakPolarHBondContact OG-CG 3.47Å; S31-F39 PolarHBondContact OG-O 2.95Å |
| 32 | G | 75.5 | Confident | 77.4 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 78.3 | -6.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | N36 | G32-N36 CarbonylContact C-O 3.53Å; G32-N36 WeakPolarHBondContact CA-O 3.48Å |
| 33 | G | 82.3 | Confident | 79.4 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | -171.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115 | S31 L35 N36 L37 | S31-G33 VanDerWaalsContact C-N 3.27Å; S31-G33 PolarHBondContact O-N 2.9Å; G33-L35 VanDerWaalsContact C-N 3.29Å; G33-L35 PolarHBondContact O-N 3.36Å; G33-N36 CarbonylContact O-C 3.57Å; G33-N36 PolarHBondContact O-N 3.31Å; G33-L37 PolarHBondContact O-N 3.24Å |
| 34 | I | 83.7 | Confident | 81.1 | Confident | 81 Ų | 81 | 50.4 Ų | 50.4 | 42% | 0.415 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -37.2 | -174.3 | -77.1 | 179.6 | 0 | 0 | 0 | 112.9 | L26 L37 L167 L216 | L26-I34 HydrophobicContact CD1-CG1 3.91Å; L26-I34 HydrophobicContact CD2-CG1 4Å; I34-L37 WeakPolarHBondContact O-CD1 3.41Å; I34-L167 HydrophobicContact CG2-CD2 4Å; I34-L167 WeakPolarHBondContact O-CD2 3.43Å; I34-L216 HydrophobicContact CG2-CD1 4.19Å; I34-L216 HydrophobicContact CG2-CD2 4.21Å |
| 35 | L | 84.9 | Confident | 82.4 | Confident | 97 Ų | 97 | 46.8 Ų | 46.8 | 51% | 0.508 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -25.4 | -176.3 | -66.8 | 173.7 | 0 | 0 | 0 | 113.2 | G33 L167 W168 L171 | G33-L35 VanDerWaalsContact C-N 3.29Å; G33-L35 PolarHBondContact O-N 3.36Å; L35-L167 HydrophobicContact CD2-CD2 4.46Å; L35-W168 HydrophobicContact CB-CB 4.38Å; L35-W168 PolarHBondContact O-N 3.41Å; L35-L171 HydrophobicContact CD2-CD1 3.64Å |
| 36 | N | 86.7 | Confident | 83.2 | Confident | 42 Ų | 42 | 45 Ų | 45 | 23% | 0.225 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -144.6 | 60.2 | -171.7 | -172.4 | 34 | 0 | 0 | 0 | 111.7 | G32 G33 K38 R166 | G32-N36 CarbonylContact C-O 3.53Å; G32-N36 WeakPolarHBondContact CA-O 3.48Å; G33-N36 CarbonylContact O-C 3.57Å; G33-N36 PolarHBondContact O-N 3.31Å; N36-K38 PolarHBondContact O-N 3.48Å; N36-K38 VanDerWaalsContact O-N 3.09Å; N36-R166 VanDerWaalsContact OD1-CD 3.24Å; N36-R166 WeakPolarHBondContact OD1-CD 3.39Å; N36-R166 PolarHBondContact OD1-NE 2.79Å |
| 37 | L | 87.5 | Confident | 83.5 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | trans | -58.2 | 114.5 | 177.5 | -65.8 | 95.7 | 0 | 0 | 0 | 110.8 | L26 F27 G33 I34 L216 V220 R223 | L26-L37 HydrophobicContact CB-CD2 4.26Å; L26-L37 HydrophobicContact CD1-CD2 4.12Å; L26-L37 HydrophobicContact CD1-CG 4.36Å; F27-L37 HydrophobicContact CD1-CD2 4.04Å; F27-L37 HydrophobicContact CE1-CB 4.09Å; F27-L37 HydrophobicContact CE1-CD2 3.87Å; F27-L37 HydrophobicContact CE1-CG 4.45Å; G33-L37 PolarHBondContact O-N 3.24Å; I34-L37 WeakPolarHBondContact O-CD1 3.41Å; L37-L216 HydrophobicContact CD1-CD2 3.53Å; L37-V220 HydrophobicContact CD2-CG2 3.77Å; L37-R223 VanDerWaalsContact O-CZ 3.22Å; L37-R223 PolarHBondContact O-NH2 3.35Å | ||
| 38 | K | 88.7 | Confident | 83.9 | Confident | 49 Ų | 49 | 44.8 Ų | 44.8 | 21% | 0.213 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 165.5 | 168.7 | 59.7 | 152.3 | -178.3 | 166.7 | 0 | 110.4 | F27 S31 N36 E42 E45 | F27-K38 WeakPolarHBondContact CZ-O 3.49Å; S31-K38 PolarHBondContact N-O 3.24Å; S31-K38 PolarHBondContact O-N 3.17Å; S31-K38 VanDerWaalsContact O-N 3.17Å; S31-K38 VanDerWaalsContact O-O 3.09Å; S31-K38 WeakPolarHBondContact OG-CE 3.42Å; S31-K38 WeakPolarHBondContact OG-CG 3.47Å; N36-K38 PolarHBondContact O-N 3.48Å; N36-K38 VanDerWaalsContact O-N 3.09Å; K38-E42 IonicContact NZ-OE1 2.67Å; K38-E42 PolarHBondContact NZ-OE1 3.45Å; K38-E45 VanDerWaalsContact CA-OE2 3.31Å; K38-E45 WeakPolarHBondContact CA-OE2 3.29Å; K38-E45 HydrophobicContact CB-CG 4.14Å |
| 39 | F | 87.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 164.1 | 167.1 | -72.2 | -74.2 | 0 | 0 | 0 | 112.2 | F27 R29 S31 S41 L44 E45 Y48 R223 F226 L227 | F27-F39 HydrophobicContact CD2-CE1 4.16Å; F27-F39 AromaticContact CE2-CD1 3.72Å; F27-F39 HydrophobicContact CE2-CD1 3.72Å; F27-F39 AromaticContact CE2-CE1 3.62Å; F27-F39 HydrophobicContact CE2-CE1 3.62Å; F27-F39 HydrophobicContact CE2-CG 4.4Å; F27-F39 HydrophobicContact CE2-CZ 4.23Å; R29-F39 HydrophobicContact CB-CD1 4.35Å; R29-F39 CarbonylContact O-C 3.57Å; R29-F39 WeakPolarHBondContact O-CA 3.4Å; S31-F39 PolarHBondContact OG-O 2.95Å; F39-S41 VanDerWaalsContact C-N 3.28Å; F39-L44 HydrophobicContact CB-CB 4.36Å; F39-L44 HydrophobicContact CB-CD2 4.08Å; F39-L44 HydrophobicContact CB-CG 4.3Å; F39-L44 HydrophobicContact CD1-CD2 3.6Å; F39-L44 HydrophobicContact CD1-CG 4.21Å; F39-L44 HydrophobicContact CD2-CD2 4.33Å; F39-L44 HydrophobicContact CD2-CG 4.04Å; F39-L44 HydrophobicContact CE1-CD2 4.09Å; F39-L44 HydrophobicContact CE2-CG 4.44Å; F39-L44 HydrophobicContact CG-CB 4.49Å; F39-L44 HydrophobicContact CG-CD2 3.74Å; F39-L44 HydrophobicContact CG-CG 3.92Å; F39-E45 HydrophobicContact CB-CB 4.33Å; F39-E45 HydrophobicContact CD2-CB 4.4Å; F39-E45 VanDerWaalsContact CD2-OE2 3.24Å; F39-E45 WeakPolarHBondContact CD2-OE2 2.98Å; F39-E45 PolarHBondContact N-OE2 2.69Å; F39-Y48 HydrophobicContact CE2-CD1 4.32Å; F39-Y48 HydrophobicContact CE2-CD2 4.06Å; F39-Y48 AromaticContact CE2-CG 3.84Å; F39-Y48 HydrophobicContact CE2-CG 3.84Å; F39-R223 HydrophobicContact CD2-CG 4.5Å; F39-R223 HydrophobicContact CE1-CB 4.27Å; F39-R223 HydrophobicContact CE2-CB 4.11Å; F39-R223 HydrophobicContact CE2-CG 3.68Å; F39-R223 HydrophobicContact CZ-CB 3.61Å; F39-R223 HydrophobicContact CZ-CG 3.74Å; F39-F226 AromaticContact CE2-CD1 3.86Å; F39-F226 HydrophobicContact CE2-CD1 3.86Å; F39-F226 HydrophobicContact CE2-CE1 4.16Å; F39-F226 AromaticContact CZ-CD1 3.78Å; F39-F226 HydrophobicContact CZ-CD1 3.78Å; F39-F226 HydrophobicContact CZ-CE1 4.37Å; F39-L227 HydrophobicContact CE1-CB 4.42Å; F39-L227 HydrophobicContact CE1-CD1 4.45Å |
| 40 | D | 84.7 | Confident | 84.8 | Confident | 75 Ų | 75 | 48.3 Ų | 48.3 | 40% | 0.401 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -72.3 | -19.6 | 170.1 | 57.2 | 18.5 | 0 | 0 | 0 | 113.6 | R29 | R29-D40 WeakPolarHBondContact CB-OD2 3.46Å; R29-D40 VanDerWaalsContact CG-OD2 3.31Å; R29-D40 WeakPolarHBondContact CG-OD2 3.43Å; R29-D40 IonicContact CZ-OD1 2.75Å; R29-D40 VanDerWaalsContact CZ-OD1 3.27Å; R29-D40 IonicContact CZ-OD2 2.63Å; R29-D40 IonicContact NE-OD1 3.98Å; R29-D40 PolarHBondContact NE-OD1 3.07Å; R29-D40 IonicContact NE-OD2 3.67Å; R29-D40 PolarHBondContact NE-OD2 3.42Å; R29-D40 IonicContact NH2-OD1 2.68Å; R29-D40 PolarHBondContact NH2-OD1 2.99Å; R29-D40 IonicContact NH2-OD2 3.56Å; R29-D40 PolarHBondContact O-N 2.89Å |
| 41 | S | 85.4 | Confident | 84.8 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 13% | 0.133 | 26% | 0.259 | C | S | . | . | trans | -112.3 | 124.4 | -178.3 | 174 | 0 | 0 | 0 | 0 | 110.4 | F39 L44 E45 D759 | F39-S41 VanDerWaalsContact C-N 3.28Å; S41-L44 WeakPolarHBondContact O-CB 3.34Å; S41-L44 PolarHBondContact O-N 2.58Å; S41-E45 PolarHBondContact O-N 3.44Å; S41-D759 WeakPolarHBondContact CB-OD2 3.36Å; S41-D759 PolarHBondContact OG-OD2 3.17Å | ||
| 42 | E | 84.1 | Confident | 84.9 | Confident | 144 Ų | 144 | 45.4 Ų | 45.4 | 67% | 0.673 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -74.6 | -30.7 | -176.7 | -54.2 | -148.8 | 136.2 | 0 | 0 | 112.1 | K38 L44 E45 S46 | K38-E42 IonicContact NZ-OE1 2.67Å; K38-E42 PolarHBondContact NZ-OE1 3.45Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.45Å; E42-E45 PolarHBondContact O-N 2.74Å; E42-S46 VanDerWaalsContact O-CB 3.31Å; E42-S46 WeakPolarHBondContact O-CB 2.77Å; E42-S46 PolarHBondContact O-N 2.82Å |
| 43 | V | 84.6 | Confident | 85.5 | Confident | 63 Ų | 63 | 44.2 Ų | 44.2 | 38% | 0.382 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 170.3 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | S46 F47 L763 | V43-S46 PolarHBondContact O-N 3.01Å; V43-S46 PolarHBondContact O-OG 2.83Å; V43-F47 PolarHBondContact O-N 2.94Å; V43-L763 HydrophobicContact CG1-CD1 3.75Å |
| 44 | L | 85.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 179.1 | -170.8 | 62.4 | 0 | 0 | 0 | 112.7 | F39 S41 E42 S46 F47 Y48 F226 L227 M762 L763 | F39-L44 HydrophobicContact CB-CB 4.36Å; F39-L44 HydrophobicContact CB-CD2 4.08Å; F39-L44 HydrophobicContact CB-CG 4.3Å; F39-L44 HydrophobicContact CD1-CD2 3.6Å; F39-L44 HydrophobicContact CD1-CG 4.21Å; F39-L44 HydrophobicContact CD2-CD2 4.33Å; F39-L44 HydrophobicContact CD2-CG 4.04Å; F39-L44 HydrophobicContact CE1-CD2 4.09Å; F39-L44 HydrophobicContact CE2-CG 4.44Å; F39-L44 HydrophobicContact CG-CB 4.49Å; F39-L44 HydrophobicContact CG-CD2 3.74Å; F39-L44 HydrophobicContact CG-CG 3.92Å; S41-L44 WeakPolarHBondContact O-CB 3.34Å; S41-L44 PolarHBondContact O-N 2.58Å; E42-L44 VanDerWaalsContact C-N 3.31Å; E42-L44 PolarHBondContact O-N 3.45Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-F47 PolarHBondContact O-N 2.85Å; L44-Y48 VanDerWaalsContact O-CB 3.31Å; L44-Y48 WeakPolarHBondContact O-CB 3.27Å; L44-Y48 PolarHBondContact O-N 3.09Å; L44-F226 HydrophobicContact CD1-CE1 3.64Å; L44-F226 HydrophobicContact CD1-CZ 4.24Å; L44-F226 HydrophobicContact CG-CE1 4.23Å; L44-L227 HydrophobicContact CD2-CD1 4.27Å; L44-M762 HydrophobicContact CD1-CE 3.44Å; L44-M762 VanDerWaalsContact CD1-CE 3.44Å; L44-L763 HydrophobicContact CD1-CD2 3.94Å; L44-L763 HydrophobicContact CD1-CG 4.4Å |
| 45 | E | 88.2 | Confident | 85.5 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 13% | 0.131 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -34.8 | 174.7 | -173.3 | 73.8 | -165.7 | 0 | 0 | 111.8 | K38 F39 S41 E42 Y49 R223 | K38-E45 VanDerWaalsContact CA-OE2 3.31Å; K38-E45 WeakPolarHBondContact CA-OE2 3.29Å; K38-E45 HydrophobicContact CB-CG 4.14Å; F39-E45 HydrophobicContact CB-CB 4.33Å; F39-E45 HydrophobicContact CD2-CB 4.4Å; F39-E45 VanDerWaalsContact CD2-OE2 3.24Å; F39-E45 WeakPolarHBondContact CD2-OE2 2.98Å; F39-E45 PolarHBondContact N-OE2 2.69Å; S41-E45 PolarHBondContact O-N 3.44Å; E42-E45 PolarHBondContact O-N 2.74Å; E45-Y49 WeakPolarHBondContact O-CB 3.1Å; E45-Y49 PolarHBondContact O-N 2.69Å; E45-R223 IonicContact OE1-CZ 2.73Å; E45-R223 IonicContact OE1-NE 3.77Å; E45-R223 IonicContact OE1-NH2 3.17Å; E45-R223 PolarHBondContact OE1-NH2 2.92Å; E45-R223 IonicContact OE2-CZ 3.71Å; E45-R223 IonicContact OE2-NE 2.87Å; E45-R223 PolarHBondContact OE2-NE 3.37Å; E45-R223 IonicContact OE2-NH2 3.63Å |
| 46 | S | 85.5 | Confident | 85.6 | Confident | 57 Ų | 57 | 38.1 Ų | 38.1 | 40% | 0.399 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.9 | -39 | 176.8 | 83.7 | 0 | 0 | 0 | 0 | 112.7 | E42 V43 L44 Y49 K50 | E42-S46 VanDerWaalsContact O-CB 3.31Å; E42-S46 WeakPolarHBondContact O-CB 2.77Å; E42-S46 PolarHBondContact O-N 2.82Å; V43-S46 PolarHBondContact O-N 3.01Å; V43-S46 PolarHBondContact O-OG 2.83Å; L44-S46 VanDerWaalsContact C-N 3.34Å; S46-Y49 PolarHBondContact O-N 3.32Å; S46-K50 WeakPolarHBondContact O-CG 3.39Å; S46-K50 PolarHBondContact O-N 3.31Å; S46-K50 VanDerWaalsContact O-N 3.17Å |
| 47 | F | 85 | Confident | 85.8 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.1 | -41.5 | 176.5 | -162 | -81.8 | 0 | 0 | 0 | 110.9 | V43 L44 Y49 K50 C51 F226 L763 L766 Q767 | V43-F47 PolarHBondContact O-N 2.94Å; L44-F47 PolarHBondContact O-N 2.85Å; F47-Y49 VanDerWaalsContact C-N 3.26Å; F47-Y49 PolarHBondContact O-N 3.35Å; F47-K50 WeakPolarHBondContact O-CB 3.09Å; F47-K50 PolarHBondContact O-N 3.17Å; F47-C51 WeakPolarHBondContact CD1-SG 3.45Å; F47-C51 WeakPolarHBondContact CE1-SG 3.36Å; F47-C51 PolarHBondContact O-N 3.31Å; F47-C51 PolarHBondContact O-SG 3.48Å; F47-C51 VanDerWaalsContact O-SG 3.37Å; F47-F226 HydrophobicContact CD1-CE2 4.04Å; F47-F226 AromaticContact CD1-CZ 3.92Å; F47-F226 HydrophobicContact CD1-CZ 3.92Å; F47-L763 HydrophobicContact CB-CD1 4.06Å; F47-L763 HydrophobicContact CB-CD2 3.68Å; F47-L763 HydrophobicContact CB-CG 4.5Å; F47-L763 HydrophobicContact CD1-CD2 3.59Å; F47-L763 HydrophobicContact CD2-CD1 4.49Å; F47-L763 HydrophobicContact CD2-CD2 4.08Å; F47-L763 HydrophobicContact CE1-CD2 4.15Å; F47-L763 HydrophobicContact CG-CD1 4.39Å; F47-L763 HydrophobicContact CG-CD2 3.53Å; F47-L763 HydrophobicContact CG-CG 4.43Å; F47-L766 HydrophobicContact CE1-CB 4.39Å; F47-L766 HydrophobicContact CE1-CD1 4.49Å; F47-Q767 HydrophobicContact CZ-CB 4.31Å |
| 48 | Y | 88 | Confident | 85.8 | Confident | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.027 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.4 | -41.2 | 170.1 | 172 | -104 | 0 | 0 | 0 | 112 | F39 L44 T52 R222 R223 F226 F776 | F39-Y48 HydrophobicContact CE2-CD1 4.32Å; F39-Y48 HydrophobicContact CE2-CD2 4.06Å; F39-Y48 AromaticContact CE2-CG 3.84Å; F39-Y48 HydrophobicContact CE2-CG 3.84Å; L44-Y48 VanDerWaalsContact O-CB 3.31Å; L44-Y48 WeakPolarHBondContact O-CB 3.27Å; L44-Y48 PolarHBondContact O-N 3.09Å; Y48-T52 HydrophobicContact CD2-CG2 3.86Å; Y48-T52 HydrophobicContact CE1-CG2 4.17Å; Y48-T52 HydrophobicContact CE2-CG2 3.43Å; Y48-T52 VanDerWaalsContact CE2-CG2 3.43Å; Y48-T52 HydrophobicContact CG-CG2 4.4Å; Y48-T52 WeakPolarHBondContact O-CB 3.41Å; Y48-T52 WeakPolarHBondContact O-CG2 3.35Å; Y48-T52 PolarHBondContact O-N 3.47Å; Y48-T52 PolarHBondContact O-OG1 3.19Å; Y48-R222 HydrophobicContact CE2-CB 4.4Å; Y48-R222 WeakPolarHBondContact OH-CB 3.47Å; Y48-R223 HydrophobicContact CD1-CG 4.41Å; Y48-R223 HydrophobicContact CD2-CG 4.3Å; Y48-R223 HydrophobicContact CE1-CG 3.85Å; Y48-R223 HydrophobicContact CE2-CG 3.7Å; Y48-R223 VanDerWaalsContact CZ-CG 3.45Å; Y48-F226 HydrophobicContact CD2-CB 3.91Å; Y48-F226 AromaticContact CD2-CD1 3.78Å; Y48-F226 HydrophobicContact CD2-CD1 3.78Å; Y48-F226 HydrophobicContact CD2-CD2 4.23Å; Y48-F226 HydrophobicContact CD2-CE1 4.33Å; Y48-F226 AromaticContact CD2-CG 3.71Å; Y48-F226 HydrophobicContact CD2-CG 3.71Å; Y48-F226 HydrophobicContact CE2-CB 4.22Å; Y48-F226 HydrophobicContact CE2-CG 4.5Å; Y48-F226 HydrophobicContact CG-CD1 4.36Å; Y48-F776 HydrophobicContact CE2-CZ 4.23Å |
| 49 | Y | 86.4 | Confident | 85.8 | Confident | 98 Ų | 98 | 38.8 Ų | 38.8 | 38% | 0.384 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.2 | -179.3 | -99.7 | 0 | 0 | 0 | 112.6 | E45 S46 F47 T52 Y53 | E45-Y49 WeakPolarHBondContact O-CB 3.1Å; E45-Y49 PolarHBondContact O-N 2.69Å; S46-Y49 PolarHBondContact O-N 3.32Å; F47-Y49 VanDerWaalsContact C-N 3.26Å; F47-Y49 PolarHBondContact O-N 3.35Å; Y49-T52 PolarHBondContact O-N 2.95Å; Y49-T52 PolarHBondContact O-OG1 2.82Å; Y49-Y53 PolarHBondContact O-N 2.9Å; Y49-Y53 VanDerWaalsContact O-N 3.07Å |
| 50 | K | 82.9 | Confident | 86.1 | Confident | 84 Ų | 84 | 38.8 Ų | 38.8 | 37% | 0.365 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.4 | -51.7 | 175.3 | -70.4 | 172.5 | -179.1 | 176.6 | 0 | 111.1 | S46 F47 Y53 L714 | S46-K50 WeakPolarHBondContact O-CG 3.39Å; S46-K50 PolarHBondContact O-N 3.31Å; S46-K50 VanDerWaalsContact O-N 3.17Å; F47-K50 WeakPolarHBondContact O-CB 3.09Å; F47-K50 PolarHBondContact O-N 3.17Å; K50-Y53 WeakPolarHBondContact O-CB 3.36Å; K50-Y53 PolarHBondContact O-N 2.81Å; K50-L714 HydrophobicContact CD-CD1 4.39Å |
| 51 | C | 82.4 | Confident | 86.5 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.1 | -32 | -178.5 | -58.1 | 0 | 0 | 0 | 0 | 113.7 | F47 P54 P772 I775 F776 | F47-C51 WeakPolarHBondContact CD1-SG 3.45Å; F47-C51 WeakPolarHBondContact CE1-SG 3.36Å; F47-C51 PolarHBondContact O-N 3.31Å; F47-C51 PolarHBondContact O-SG 3.48Å; F47-C51 VanDerWaalsContact O-SG 3.37Å; C51-P54 WeakPolarHBondContact O-CD 3.09Å; C51-P772 WeakPolarHBondContact CA-O 3.46Å; C51-I775 HydrophobicContact CB-CD1 4.06Å; C51-F776 HydrophobicContact CB-CD2 4.48Å; C51-F776 HydrophobicContact CB-CE2 4.2Å; C51-F776 WeakPolarHBondContact O-CD2 3.35Å |
| 52 | T | 84.3 | Confident | 86.8 | Confident | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -81.1 | -13.2 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | Y48 Y49 S55 S56 F776 | Y48-T52 HydrophobicContact CD2-CG2 3.86Å; Y48-T52 HydrophobicContact CE1-CG2 4.17Å; Y48-T52 HydrophobicContact CE2-CG2 3.43Å; Y48-T52 VanDerWaalsContact CE2-CG2 3.43Å; Y48-T52 HydrophobicContact CG-CG2 4.4Å; Y48-T52 WeakPolarHBondContact O-CB 3.41Å; Y48-T52 WeakPolarHBondContact O-CG2 3.35Å; Y48-T52 PolarHBondContact O-N 3.47Å; Y48-T52 PolarHBondContact O-OG1 3.19Å; Y49-T52 PolarHBondContact O-N 2.95Å; Y49-T52 PolarHBondContact O-OG1 2.82Å; T52-S55 PolarHBondContact O-N 3.19Å; T52-S56 WeakPolarHBondContact O-CB 3.45Å; T52-S56 PolarHBondContact O-N 3.39Å; T52-S56 PolarHBondContact O-OG 3.11Å; T52-S56 VanDerWaalsContact O-OG 3.04Å; T52-F776 HydrophobicContact CG2-CD2 4.07Å; T52-F776 HydrophobicContact CG2-CE1 4.41Å; T52-F776 HydrophobicContact CG2-CE2 3.39Å; T52-F776 HydrophobicContact CG2-CZ 3.59Å |
| 53 | Y | 86.3 | Confident | 87.1 | Confident | 20 Ų | 20 | 33.5 Ų | 33.5 | 8% | 0.078 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53 | -48.7 | -176.9 | 174.3 | -101.9 | 0 | 0 | 0 | 114.2 | Y49 K50 S55 S56 R57 D110 F113 K114 | Y49-Y53 PolarHBondContact O-N 2.9Å; Y49-Y53 VanDerWaalsContact O-N 3.07Å; K50-Y53 WeakPolarHBondContact O-CB 3.36Å; K50-Y53 PolarHBondContact O-N 2.81Å; Y53-S55 PolarHBondContact O-N 2.7Å; Y53-S56 PolarHBondContact O-N 2.87Å; Y53-R57 VanDerWaalsContact O-CB 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.27Å; Y53-R57 PolarHBondContact O-N 2.88Å; Y53-D110 PolarHBondContact OH-OD1 2.78Å; Y53-F113 HydrophobicContact CE2-CD1 4.01Å; Y53-F113 HydrophobicContact CE2-CE1 4.27Å; Y53-F113 WeakPolarHBondContact OH-CD1 3.45Å; Y53-K114 HydrophobicContact CD2-CG 4.34Å; Y53-K114 HydrophobicContact CE1-CD 4.37Å; Y53-K114 HydrophobicContact CE1-CG 4.33Å; Y53-K114 HydrophobicContact CE2-CB 3.99Å; Y53-K114 HydrophobicContact CE2-CG 3.88Å |
| 54 | P | 83.9 | Confident | 87.6 | Confident | 39 Ų | 39 | 30.6 Ų | 30.6 | 25% | 0.253 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -62.1 | -43.7 | 180 | -19.3 | 30.9 | 0 | 0 | 0 | 112.4 | C51 R57 G58 D773 | C51-P54 WeakPolarHBondContact O-CD 3.09Å; P54-R57 PolarHBondContact O-N 3.06Å; P54-G58 PolarHBondContact O-N 2.94Å; P54-D773 HydrophobicContact CG-CB 4.4Å; P54-D773 WeakPolarHBondContact CG-OD1 3.07Å |
| 55 | S | 83.4 | Confident | 88 | Confident | 28 Ų | 28 | 33.9 Ų | 33.9 | 20% | 0.196 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 177.6 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | T52 Y53 G58 R59 R222 | T52-S55 PolarHBondContact O-N 3.19Å; Y53-S55 PolarHBondContact O-N 2.7Å; S55-G58 PolarHBondContact O-N 2.87Å; S55-R59 PolarHBondContact O-N 3.2Å; S55-R222 PolarHBondContact OG-NH2 2.91Å |
| 56 | S | 86.6 | Confident | 88.1 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -35.9 | 178.2 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | T52 Y53 R59 F60 R222 | T52-S56 WeakPolarHBondContact O-CB 3.45Å; T52-S56 PolarHBondContact O-N 3.39Å; T52-S56 PolarHBondContact O-OG 3.11Å; T52-S56 VanDerWaalsContact O-OG 3.04Å; Y53-S56 PolarHBondContact O-N 2.87Å; S56-R59 PolarHBondContact O-N 3.14Å; S56-F60 PolarHBondContact O-N 2.92Å; S56-R222 PolarHBondContact OG-NH1 2.77Å; S56-R222 PolarHBondContact OG-NH2 2.92Å |
| 57 | R | 90.2 | Very high | 88.4 | Confident | 53 Ų | 53 | 30.7 Ų | 30.7 | 20% | 0.2 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 169.7 | -178.2 | 176.8 | 66.2 | 159.2 | -5.2 | 112 | Y53 P54 F60 R61 D110 F113 | Y53-R57 VanDerWaalsContact O-CB 3.32Å; Y53-R57 WeakPolarHBondContact O-CB 3.27Å; Y53-R57 PolarHBondContact O-N 2.88Å; P54-R57 PolarHBondContact O-N 3.06Å; R57-F60 PolarHBondContact O-N 2.77Å; R57-R61 WeakPolarHBondContact O-CG 3.23Å; R57-R61 PolarHBondContact O-N 3.36Å; R57-D110 IonicContact CZ-OD1 2.63Å; R57-D110 IonicContact CZ-OD2 2.66Å; R57-D110 IonicContact NE-OD1 2.84Å; R57-D110 IonicContact NH1-OD1 3.99Å; R57-D110 PolarHBondContact NH1-OD1 3.07Å; R57-D110 IonicContact NH1-OD2 2.76Å; R57-D110 PolarHBondContact NH1-OD2 2.73Å; R57-F113 HydrophobicContact CB-CE1 4.19Å; R57-F113 HydrophobicContact CG-CD1 4.33Å; R57-F113 HydrophobicContact CG-CE1 4.06Å |
| 58 | G | 88.3 | Confident | 88.8 | Confident | 39 Ų | 39 | 31 Ų | 31 | 40% | 0.402 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.3 | -47.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P54 S55 R61 F62 | P54-G58 PolarHBondContact O-N 2.94Å; S55-G58 PolarHBondContact O-N 2.87Å; G58-R61 PolarHBondContact O-N 3.38Å; G58-F62 PolarHBondContact O-N 3.23Å |
| 59 | R | 88.7 | Confident | 89.1 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 9% | 0.087 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.8 | -67.7 | -174.8 | -178.2 | -172.6 | 3.5 | 112.9 | S55 S56 R61 F62 A63 M162 S218 E1097 N1101 | S55-R59 PolarHBondContact O-N 3.2Å; S56-R59 PolarHBondContact O-N 3.14Å; R59-R61 PolarHBondContact O-N 2.97Å; R59-F62 WeakPolarHBondContact O-CB 3.26Å; R59-F62 PolarHBondContact O-N 2.71Å; R59-A63 PolarHBondContact O-N 3.25Å; R59-M162 CarbonylContact C-O 3.47Å; R59-M162 HydrophobicContact CB-SD 4.31Å; R59-M162 HydrophobicContact CG-SD 4.23Å; R59-S218 PolarHBondContact NH1-OG 2.79Å; R59-S218 PolarHBondContact NH2-OG 2.97Å; R59-E1097 IonicContact NE-OE1 3.93Å; R59-N1101 PolarHBondContact NH2-OD1 3.13Å |
| 60 | F | 93.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -47.6 | 172.8 | 176.9 | -97.6 | 0 | 0 | 0 | 112.1 | S56 R57 F62 A63 T64 Y103 F113 I120 H124 P164 | S56-F60 PolarHBondContact O-N 2.92Å; R57-F60 PolarHBondContact O-N 2.77Å; F60-F62 VanDerWaalsContact C-N 3.3Å; F60-F62 PolarHBondContact O-N 3.3Å; F60-A63 WeakPolarHBondContact O-CB 3.48Å; F60-A63 PolarHBondContact O-N 3.04Å; F60-T64 HydrophobicContact CD1-CG2 4.35Å; F60-T64 HydrophobicContact CE1-CG2 3.8Å; F60-T64 HydrophobicContact CE2-CG2 4.24Å; F60-T64 HydrophobicContact CZ-CG2 3.74Å; F60-T64 PolarHBondContact O-N 2.69Å; F60-T64 PolarHBondContact O-OG1 3.38Å; F60-Y103 AromaticContact CZ-CD1 4Å; F60-Y103 HydrophobicContact CZ-CD1 4Å; F60-Y103 HydrophobicContact CZ-CG 4.39Å; F60-F113 HydrophobicContact CB-CZ 4.17Å; F60-F113 AromaticContact CD1-CE2 3.56Å; F60-F113 HydrophobicContact CD1-CE2 3.56Å; F60-F113 AromaticContact CD1-CZ 3.64Å; F60-F113 HydrophobicContact CD1-CZ 3.64Å; F60-F113 HydrophobicContact CD2-CZ 4.42Å; F60-F113 HydrophobicContact CE1-CD2 4.5Å; F60-F113 AromaticContact CE1-CE2 3.57Å; F60-F113 HydrophobicContact CE1-CE2 3.57Å; F60-F113 HydrophobicContact CE1-CZ 4.15Å; F60-F113 HydrophobicContact CG-CE2 4.06Å; F60-F113 AromaticContact CG-CZ 3.8Å; F60-F113 HydrophobicContact CG-CZ 3.8Å; F60-F113 HydrophobicContact CZ-CE2 4.08Å; F60-I120 HydrophobicContact CE2-CG2 4.47Å; F60-I120 HydrophobicContact CZ-CG2 3.95Å; F60-H124 HydrophobicContact CE2-CB 3.83Å; F60-H124 AromaticContact CE2-CG 3.99Å; F60-H124 HydrophobicContact CZ-CB 4.25Å; F60-P164 HydrophobicContact CB-CG 4.36Å |
| 61 | R | 93.6 | Very high | 89.9 | Confident | 54 Ų | 54 | 26.9 Ų | 26.9 | 20% | 0.204 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.9 | -42 | 174.5 | -75.5 | 177.9 | -174.8 | 178.4 | 4.5 | 112.1 | R57 G58 R59 T64 V65 F104 S107 | R57-R61 WeakPolarHBondContact O-CG 3.23Å; R57-R61 PolarHBondContact O-N 3.36Å; G58-R61 PolarHBondContact O-N 3.38Å; R59-R61 PolarHBondContact O-N 2.97Å; R61-T64 WeakPolarHBondContact CA-OG1 3.15Å; R61-T64 PolarHBondContact O-N 3.34Å; R61-T64 PolarHBondContact O-OG1 3.25Å; R61-V65 WeakPolarHBondContact O-CG2 3.27Å; R61-V65 PolarHBondContact O-N 2.85Å; R61-F104 HydrophobicContact CB-CD2 4.11Å; R61-F104 HydrophobicContact CB-CE2 4.01Å; R61-F104 HydrophobicContact CG-CD2 4.11Å; R61-F104 HydrophobicContact CG-CE2 4.11Å; R61-S107 WeakPolarHBondContact CG-OG 3.43Å; R61-S107 PolarHBondContact NE-OG 2.88Å; R61-S107 PolarHBondContact NH2-O 3.08Å |
| 62 | F | 91.2 | Very high | 90.5 | Very high | 71 Ų | 71 | 30 Ų | 30 | 31% | 0.311 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.9 | -164.8 | -114.4 | 0 | 0 | 0 | 112 | G58 R59 F60 V65 L66 M162 A1093 | G58-F62 PolarHBondContact O-N 3.23Å; R59-F62 WeakPolarHBondContact O-CB 3.26Å; R59-F62 PolarHBondContact O-N 2.71Å; F60-F62 VanDerWaalsContact C-N 3.3Å; F60-F62 PolarHBondContact O-N 3.3Å; F62-V65 PolarHBondContact O-N 3.32Å; F62-L66 HydrophobicContact CD1-CD1 3.86Å; F62-L66 HydrophobicContact CE1-CD1 3.73Å; F62-L66 HydrophobicContact CE1-CG 4.49Å; F62-L66 HydrophobicContact CZ-CD1 4.37Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 3Å; F62-M162 HydrophobicContact CD1-CE 4.42Å; F62-M162 HydrophobicContact CD1-CG 4.03Å; F62-M162 HydrophobicContact CD1-SD 3.87Å; F62-M162 HydrophobicContact CE1-CE 4.46Å; F62-M162 HydrophobicContact CE1-SD 4.47Å; F62-A1093 HydrophobicContact CZ-CB 4.02Å |
| 63 | A | 92 | Very high | 90.9 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | R59 F60 V65 L66 T67 I158 M162 | R59-A63 PolarHBondContact O-N 3.25Å; F60-A63 WeakPolarHBondContact O-CB 3.48Å; F60-A63 PolarHBondContact O-N 3.04Å; A63-V65 VanDerWaalsContact C-N 3.28Å; A63-V65 PolarHBondContact O-N 2.86Å; A63-L66 PolarHBondContact O-N 3.43Å; A63-T67 PolarHBondContact O-N 3.24Å; A63-T67 PolarHBondContact O-OG1 2.91Å; A63-I158 HydrophobicContact CB-CG2 4.09Å; A63-M162 HydrophobicContact CB-CB 3.76Å |
| 64 | T | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -35.5 | 178.6 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | F60 R61 A68 H124 | F60-T64 HydrophobicContact CD1-CG2 4.35Å; F60-T64 HydrophobicContact CE1-CG2 3.8Å; F60-T64 HydrophobicContact CE2-CG2 4.24Å; F60-T64 HydrophobicContact CZ-CG2 3.74Å; F60-T64 PolarHBondContact O-N 2.69Å; F60-T64 PolarHBondContact O-OG1 3.38Å; R61-T64 WeakPolarHBondContact CA-OG1 3.15Å; R61-T64 PolarHBondContact O-N 3.34Å; R61-T64 PolarHBondContact O-OG1 3.25Å; T64-A68 VanDerWaalsContact O-CB 3.27Å; T64-A68 WeakPolarHBondContact O-CB 3.39Å; T64-A68 PolarHBondContact O-N 3.38Å; T64-H124 WeakPolarHBondContact CG2-NE2 3.39Å |
| 65 | V | 94.1 | Very high | 91.5 | Very high | 70 Ų | 70 | 29.3 Ų | 29.3 | 42% | 0.424 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -71.8 | -39.8 | 177.5 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | R61 F62 A63 A68 F69 F104 | R61-V65 WeakPolarHBondContact O-CG2 3.27Å; R61-V65 PolarHBondContact O-N 2.85Å; F62-V65 PolarHBondContact O-N 3.32Å; A63-V65 VanDerWaalsContact C-N 3.28Å; A63-V65 PolarHBondContact O-N 2.86Å; V65-A68 PolarHBondContact O-N 3.48Å; V65-F69 WeakPolarHBondContact O-CB 3.46Å; V65-F69 PolarHBondContact O-N 3.48Å; V65-F104 HydrophobicContact CG2-CD2 3.79Å; V65-F104 HydrophobicContact CG2-CE2 3.73Å |
| 66 | L | 91.8 | Very high | 91.9 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.4 | -43.3 | 174.6 | -71.6 | 172.3 | 0 | 0 | 0 | 111.8 | F62 A63 F69 L70 I158 L1090 A1093 L1094 | F62-L66 HydrophobicContact CD1-CD1 3.86Å; F62-L66 HydrophobicContact CE1-CD1 3.73Å; F62-L66 HydrophobicContact CE1-CG 4.49Å; F62-L66 HydrophobicContact CZ-CD1 4.37Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 3Å; A63-L66 PolarHBondContact O-N 3.43Å; L66-F69 PolarHBondContact O-N 2.83Å; L66-L70 WeakPolarHBondContact O-CB 3.1Å; L66-L70 PolarHBondContact O-N 3.45Å; L66-I158 HydrophobicContact CB-CD1 3.98Å; L66-I158 HydrophobicContact CB-CG1 4.32Å; L66-I158 HydrophobicContact CB-CG2 4.42Å; L66-I158 HydrophobicContact CD1-CG1 4.39Å; L66-L1090 HydrophobicContact CD1-CD1 4.03Å; L66-L1090 HydrophobicContact CD2-CD1 4.46Å; L66-A1093 HydrophobicContact CD2-CB 4.34Å; L66-L1094 HydrophobicContact CD1-CD2 4.49Å |
| 67 | T | 91.7 | Very high | 92.1 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -40.7 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | A63 S71 S100 L155 | A63-T67 PolarHBondContact O-N 3.24Å; A63-T67 PolarHBondContact O-OG1 2.91Å; T67-S71 WeakPolarHBondContact O-CB 3.31Å; T67-S71 PolarHBondContact O-N 3.43Å; T67-S71 PolarHBondContact O-OG 3.09Å; T67-S100 WeakPolarHBondContact CG2-OG 3.34Å; T67-L155 HydrophobicContact CG2-CD2 4.06Å |
| 68 | A | 93.3 | Very high | 92 | Very high | 17 Ų | 17 | 29.1 Ų | 29.1 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -48.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T64 V65 L70 S71 V72 | T64-A68 VanDerWaalsContact O-CB 3.27Å; T64-A68 WeakPolarHBondContact O-CB 3.39Å; T64-A68 PolarHBondContact O-N 3.38Å; V65-A68 PolarHBondContact O-N 3.48Å; A68-L70 PolarHBondContact O-N 3.1Å; A68-S71 PolarHBondContact O-N 3.3Å; A68-V72 WeakPolarHBondContact O-CG2 3.16Å; A68-V72 PolarHBondContact O-N 2.99Å |
| 69 | F | 93.7 | Very high | 92 | Very high | 96 Ų | 96 | 29.9 Ų | 29.9 | 42% | 0.421 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 179.1 | 179.5 | -99.8 | 0 | 0 | 0 | 112.3 | V65 L66 S71 V72 A73 L1086 I1089 | V65-F69 WeakPolarHBondContact O-CB 3.46Å; V65-F69 PolarHBondContact O-N 3.48Å; L66-F69 PolarHBondContact O-N 2.83Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 3.35Å; F69-V72 PolarHBondContact O-N 3.01Å; F69-A73 WeakPolarHBondContact O-CB 3.36Å; F69-A73 PolarHBondContact O-N 2.89Å; F69-L1086 HydrophobicContact CD1-CD2 4.25Å; F69-L1086 HydrophobicContact CE1-CD2 3.84Å; F69-I1089 HydrophobicContact CD1-CG2 4.47Å; F69-I1089 HydrophobicContact CE1-CB 4.49Å; F69-I1089 HydrophobicContact CE1-CD1 3.88Å; F69-I1089 HydrophobicContact CE1-CG2 3.89Å; F69-I1089 HydrophobicContact CZ-CD1 3.83Å; F69-I1089 HydrophobicContact CZ-CG2 4.48Å |
| 70 | L | 92.4 | Very high | 91.8 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.7 | -42 | 174.8 | -179 | 55.5 | 0 | 0 | 0 | 111.6 | L66 A68 W74 L151 Q154 L155 I158 L1086 | L66-L70 WeakPolarHBondContact O-CB 3.1Å; L66-L70 PolarHBondContact O-N 3.45Å; A68-L70 PolarHBondContact O-N 3.1Å; L70-W74 VanDerWaalsContact O-CD1 3.23Å; L70-W74 PolarHBondContact O-N 3.41Å; L70-L151 HydrophobicContact CD1-CD1 4.41Å; L70-L151 HydrophobicContact CD2-CD1 4.1Å; L70-L151 HydrophobicContact CG-CD1 4.15Å; L70-Q154 HydrophobicContact CD2-CB 4.14Å; L70-L155 HydrophobicContact CD2-CD2 3.91Å; L70-L155 HydrophobicContact CD2-CG 3.99Å; L70-I158 HydrophobicContact CD2-CD1 4.43Å; L70-L1086 HydrophobicContact CD1-CD1 3.77Å; L70-L1086 HydrophobicContact CD1-CD2 4.05Å; L70-L1086 HydrophobicContact CD1-CG 4.35Å |
| 71 | S | 93.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -40.7 | 177.4 | -55.3 | 0 | 0 | 0 | 0 | 112.4 | T67 A68 F69 L75 L131 | T67-S71 WeakPolarHBondContact O-CB 3.31Å; T67-S71 PolarHBondContact O-N 3.43Å; T67-S71 PolarHBondContact O-OG 3.09Å; A68-S71 PolarHBondContact O-N 3.3Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 3.35Å; S71-L75 VanDerWaalsContact O-CB 3.24Å; S71-L75 WeakPolarHBondContact O-CB 3.17Å; S71-L75 PolarHBondContact O-N 2.75Å; S71-L131 WeakPolarHBondContact OG-CD2 3.44Å |
| 72 | V | 94.7 | Very high | 89.9 | Confident | 66 Ų | 66 | 41.9 Ų | 41.9 | 40% | 0.4 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 175 | 170.1 | 0 | 0 | 0 | 0 | 111 | A68 F69 W74 L75 V76 V97 | A68-V72 WeakPolarHBondContact O-CG2 3.16Å; A68-V72 PolarHBondContact O-N 2.99Å; F69-V72 PolarHBondContact O-N 3.01Å; V72-W74 PolarHBondContact O-N 2.88Å; V72-L75 PolarHBondContact O-N 2.77Å; V72-V76 HydrophobicContact CG1-CG2 4.41Å; V72-V76 WeakPolarHBondContact O-CG2 3.38Å; V72-V76 PolarHBondContact O-N 3.05Å; V72-V97 HydrophobicContact CB-CG2 4.42Å; V72-V97 HydrophobicContact CG2-CG1 4.11Å; V72-V97 HydrophobicContact CG2-CG2 3.59Å |
| 73 | A | 93.5 | Very high | 88.9 | Confident | 13 Ų | 13 | 43.4 Ų | 43.4 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F69 Y77 M1082 L1086 | F69-A73 WeakPolarHBondContact O-CB 3.36Å; F69-A73 PolarHBondContact O-N 2.89Å; A73-Y77 PolarHBondContact O-N 2.76Å; A73-Y77 VanDerWaalsContact O-N 3.09Å; A73-M1082 HydrophobicContact CB-CE 3.98Å; A73-L1086 HydrophobicContact CB-CD1 4.16Å; A73-L1086 HydrophobicContact CB-CD2 3.69Å; A73-L1086 HydrophobicContact CB-CG 4.35Å |
| 74 | W | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.4 | -35 | 174.8 | -72.3 | 117.9 | 0 | 0 | 0 | 112.8 | L70 V72 V76 Y77 F78 F93 F147 E1079 M1082 I1083 L1086 | L70-W74 VanDerWaalsContact O-CD1 3.23Å; L70-W74 PolarHBondContact O-N 3.41Å; V72-W74 PolarHBondContact O-N 2.88Å; W74-V76 VanDerWaalsContact C-N 3.35Å; W74-V76 PolarHBondContact O-N 2.81Å; W74-Y77 AromaticContact CE3-CD1 3.66Å; W74-Y77 HydrophobicContact CE3-CD1 3.66Å; W74-Y77 HydrophobicContact CE3-CE1 4.35Å; W74-Y77 HydrophobicContact CE3-CG 4.05Å; W74-Y77 AromaticContact CZ3-CD1 3.6Å; W74-Y77 HydrophobicContact CZ3-CD1 3.6Å; W74-Y77 AromaticContact CZ3-CE1 3.88Å; W74-Y77 HydrophobicContact CZ3-CE1 3.88Å; W74-Y77 HydrophobicContact CZ3-CG 4.02Å; W74-Y77 PolarHBondContact O-N 2.89Å; W74-F78 HydrophobicContact CB-CD2 4.39Å; W74-F78 HydrophobicContact CB-CE2 4.4Å; W74-F78 HydrophobicContact CD2-CE2 4.49Å; W74-F78 HydrophobicContact CE3-CD2 4.49Å; W74-F78 AromaticContact CE3-CE2 3.82Å; W74-F78 HydrophobicContact CE3-CE2 3.82Å; W74-F78 HydrophobicContact CE3-CZ 4.34Å; W74-F78 WeakPolarHBondContact O-CD2 3.45Å; W74-F78 PolarHBondContact O-N 3.01Å; W74-F93 HydrophobicContact CB-CD1 3.95Å; W74-F93 HydrophobicContact CB-CD2 3.78Å; W74-F93 HydrophobicContact CB-CE1 3.77Å; W74-F93 HydrophobicContact CB-CE2 3.61Å; W74-F93 HydrophobicContact CB-CG 3.96Å; W74-F93 HydrophobicContact CB-CZ 3.6Å; W74-F93 HydrophobicContact CG-CE1 4.22Å; W74-F93 HydrophobicContact CG-CE2 4.31Å; W74-F93 AromaticContact CG-CZ 3.96Å; W74-F93 HydrophobicContact CG-CZ 3.96Å; W74-F147 AromaticContact CD2-CD2 3.75Å; W74-F147 HydrophobicContact CD2-CD2 3.75Å; W74-F147 AromaticContact CD2-CE2 3.67Å; W74-F147 HydrophobicContact CD2-CE2 3.67Å; W74-F147 AromaticContact CE2-CD2 3.72Å; W74-F147 AromaticContact CE2-CE2 3.95Å; W74-F147 AromaticContact CE3-CD2 3.72Å; W74-F147 HydrophobicContact CE3-CD2 3.72Å; W74-F147 AromaticContact CE3-CE2 3.86Å; W74-F147 HydrophobicContact CE3-CE2 3.86Å; W74-F147 HydrophobicContact CG-CE2 4.03Å; W74-F147 HydrophobicContact CH2-CB 4.35Å; W74-F147 AromaticContact CH2-CD2 3.73Å; W74-F147 HydrophobicContact CH2-CD2 3.73Å; W74-F147 HydrophobicContact CH2-CG 4.49Å; W74-F147 AromaticContact CZ2-CD2 3.74Å; W74-F147 HydrophobicContact CZ2-CD2 3.74Å; W74-F147 HydrophobicContact CZ2-CE2 4.43Å; W74-F147 AromaticContact CZ3-CD2 3.71Å; W74-F147 HydrophobicContact CZ3-CD2 3.71Å; W74-F147 HydrophobicContact CZ3-CE2 4.33Å; W74-F147 HydrophobicContact CZ3-CG 4.5Å; W74-E1079 HydrophobicContact CH2-CG 4.1Å; W74-E1079 HydrophobicContact CZ3-CG 4.11Å; W74-M1082 HydrophobicContact CH2-CB 4.01Å; W74-M1082 HydrophobicContact CZ3-CB 4.27Å; W74-I1083 HydrophobicContact CH2-CG1 3.89Å; W74-I1083 HydrophobicContact CZ2-CG1 3.94Å; W74-L1086 HydrophobicContact CD2-CD1 4.45Å; W74-L1086 HydrophobicContact CZ2-CD1 3.82Å |
| 75 | L | 92.1 | Very high | 86.8 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 172.4 | 179.6 | 57.8 | 0 | 0 | 0 | 111.8 | S71 V72 S79 R90 F93 S94 V97 | S71-L75 VanDerWaalsContact O-CB 3.24Å; S71-L75 WeakPolarHBondContact O-CB 3.17Å; S71-L75 PolarHBondContact O-N 2.75Å; V72-L75 PolarHBondContact O-N 2.77Å; L75-S79 VanDerWaalsContact O-CB 3.27Å; L75-S79 WeakPolarHBondContact O-CB 3.33Å; L75-S79 PolarHBondContact O-N 2.81Å; L75-S79 PolarHBondContact O-OG 3.17Å; L75-R90 HydrophobicContact CD1-CB 4.29Å; L75-R90 HydrophobicContact CD1-CG 4.4Å; L75-R90 WeakPolarHBondContact CD1-O 3.37Å; L75-F93 HydrophobicContact CB-CB 3.92Å; L75-F93 HydrophobicContact CD1-CB 4.43Å; L75-S94 WeakPolarHBondContact CD1-OG 3.44Å; L75-V97 HydrophobicContact CD2-CG2 4.48Å |
| 76 | V | 91.9 | Very high | 86 | Confident | 77 Ų | 77 | 48.3 Ų | 48.3 | 47% | 0.467 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 175.9 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | V72 W74 F78 S79 I80 | V72-V76 HydrophobicContact CG1-CG2 4.41Å; V72-V76 WeakPolarHBondContact O-CG2 3.38Å; V72-V76 PolarHBondContact O-N 3.05Å; W74-V76 VanDerWaalsContact C-N 3.35Å; W74-V76 PolarHBondContact O-N 2.81Å; V76-F78 PolarHBondContact O-N 2.83Å; V76-S79 PolarHBondContact O-N 3.13Å; V76-S79 VanDerWaalsContact O-N 3.07Å; V76-I80 HydrophobicContact CG1-CD1 3.98Å; V76-I80 WeakPolarHBondContact O-CG1 3.1Å; V76-I80 PolarHBondContact O-N 3.32Å |
| 77 | Y | 89.5 | Confident | 85.6 | Confident | 19 Ų | 19 | 51.2 Ų | 51.2 | 8% | 0.075 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.3 | -51.5 | 177.7 | -179.8 | -103.1 | 0 | 0 | 0 | 112.4 | A73 W74 S79 I80 L81 N1075 E1079 M1082 | A73-Y77 PolarHBondContact O-N 2.76Å; A73-Y77 VanDerWaalsContact O-N 3.09Å; W74-Y77 AromaticContact CE3-CD1 3.66Å; W74-Y77 HydrophobicContact CE3-CD1 3.66Å; W74-Y77 HydrophobicContact CE3-CE1 4.35Å; W74-Y77 HydrophobicContact CE3-CG 4.05Å; W74-Y77 AromaticContact CZ3-CD1 3.6Å; W74-Y77 HydrophobicContact CZ3-CD1 3.6Å; W74-Y77 AromaticContact CZ3-CE1 3.88Å; W74-Y77 HydrophobicContact CZ3-CE1 3.88Å; W74-Y77 HydrophobicContact CZ3-CG 4.02Å; W74-Y77 PolarHBondContact O-N 2.89Å; Y77-S79 PolarHBondContact O-N 3.38Å; Y77-I80 PolarHBondContact O-N 2.84Å; Y77-L81 HydrophobicContact CD1-CD1 3.88Å; Y77-L81 HydrophobicContact CD2-CD1 4.3Å; Y77-L81 HydrophobicContact CE1-CD1 3.36Å; Y77-L81 HydrophobicContact CE2-CD1 3.82Å; Y77-L81 HydrophobicContact CG-CD1 4.32Å; Y77-L81 PolarHBondContact O-N 2.63Å; Y77-L81 VanDerWaalsContact O-N 3.15Å; Y77-N1075 PolarHBondContact OH-O 2.86Å; Y77-E1079 HydrophobicContact CE1-CG 4.12Å; Y77-E1079 WeakPolarHBondContact OH-CA 3.22Å; Y77-E1079 VanDerWaalsContact OH-CB 3.24Å; Y77-E1079 WeakPolarHBondContact OH-CB 3.46Å; Y77-E1079 PolarHBondContact OH-N 2.97Å; Y77-M1082 HydrophobicContact CD2-CG 3.85Å; Y77-M1082 HydrophobicContact CE2-CG 4.36Å |
| 78 | F | 88.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.7 | -4.1 | 178.1 | -66.2 | -61.6 | 0 | 0 | 0 | 114.6 | W74 V76 C86 Y89 R90 F93 A143 F147 | W74-F78 HydrophobicContact CB-CD2 4.39Å; W74-F78 HydrophobicContact CB-CE2 4.4Å; W74-F78 HydrophobicContact CD2-CE2 4.49Å; W74-F78 HydrophobicContact CE3-CD2 4.49Å; W74-F78 AromaticContact CE3-CE2 3.82Å; W74-F78 HydrophobicContact CE3-CE2 3.82Å; W74-F78 HydrophobicContact CE3-CZ 4.34Å; W74-F78 WeakPolarHBondContact O-CD2 3.45Å; W74-F78 PolarHBondContact O-N 3.01Å; V76-F78 PolarHBondContact O-N 2.83Å; F78-C86 HydrophobicContact CB-CB 4.4Å; F78-C86 HydrophobicContact CD1-CB 4.24Å; F78-Y89 AromaticContact CD1-CD2 3.62Å; F78-Y89 HydrophobicContact CD1-CD2 3.62Å; F78-Y89 HydrophobicContact CD1-CE2 4.47Å; F78-Y89 HydrophobicContact CD1-CG 4.32Å; F78-Y89 HydrophobicContact CD2-CD2 4.28Å; F78-Y89 HydrophobicContact CD2-CG 4.23Å; F78-Y89 AromaticContact CE1-CD2 3.46Å; F78-Y89 HydrophobicContact CE1-CD2 3.46Å; F78-Y89 VanDerWaalsContact CE1-CD2 3.46Å; F78-Y89 AromaticContact CE1-CE2 3.92Å; F78-Y89 HydrophobicContact CE1-CE2 3.92Å; F78-Y89 HydrophobicContact CE1-CG 4.31Å; F78-Y89 HydrophobicContact CE2-CD2 4.16Å; F78-Y89 HydrophobicContact CE2-CG 4.24Å; F78-Y89 HydrophobicContact CG-CD2 4.03Å; F78-Y89 HydrophobicContact CG-CG 4.28Å; F78-Y89 AromaticContact CZ-CD2 3.76Å; F78-Y89 HydrophobicContact CZ-CD2 3.76Å; F78-Y89 HydrophobicContact CZ-CE2 4.17Å; F78-Y89 HydrophobicContact CZ-CG 4.27Å; F78-R90 HydrophobicContact CB-CG 4.21Å; F78-R90 VanDerWaalsContact O-CD 3.27Å; F78-R90 WeakPolarHBondContact O-CD 3.46Å; F78-R90 VanDerWaalsContact O-CG 3.29Å; F78-R90 WeakPolarHBondContact O-CG 3.35Å; F78-F93 AromaticContact CD2-CD2 3.97Å; F78-F93 HydrophobicContact CD2-CD2 3.97Å; F78-F93 AromaticContact CD2-CE2 3.83Å; F78-F93 HydrophobicContact CD2-CE2 3.83Å; F78-F93 HydrophobicContact CE2-CD2 4.35Å; F78-F93 AromaticContact CE2-CE2 3.73Å; F78-F93 HydrophobicContact CE2-CE2 3.73Å; F78-A143 HydrophobicContact CE1-CB 3.87Å; F78-A143 HydrophobicContact CZ-CB 3.8Å; F78-F147 HydrophobicContact CE2-CD2 4.33Å; F78-F147 HydrophobicContact CE2-CE1 4.29Å; F78-F147 AromaticContact CE2-CE2 3.73Å; F78-F147 HydrophobicContact CE2-CE2 3.73Å; F78-F147 AromaticContact CE2-CZ 3.7Å; F78-F147 HydrophobicContact CE2-CZ 3.7Å; F78-F147 HydrophobicContact CZ-CD1 4.32Å; F78-F147 HydrophobicContact CZ-CD2 4.33Å; F78-F147 HydrophobicContact CZ-CE1 4.05Å; F78-F147 HydrophobicContact CZ-CE2 4.07Å; F78-F147 HydrophobicContact CZ-CG 4.44Å; F78-F147 AromaticContact CZ-CZ 3.93Å; F78-F147 HydrophobicContact CZ-CZ 3.93Å |
| 79 | S | 87.6 | Confident | 84.9 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -90.8 | -29 | 169.9 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | L75 V76 Y77 | L75-S79 VanDerWaalsContact O-CB 3.27Å; L75-S79 WeakPolarHBondContact O-CB 3.33Å; L75-S79 PolarHBondContact O-N 2.81Å; L75-S79 PolarHBondContact O-OG 3.17Å; V76-S79 PolarHBondContact O-N 3.13Å; V76-S79 VanDerWaalsContact O-N 3.07Å; Y77-S79 PolarHBondContact O-N 3.38Å |
| 80 | I | 86.5 | Confident | 84.7 | Confident | 127 Ų | 127 | 51.6 Ų | 51.6 | 65% | 0.651 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.5 | -38.8 | 170.3 | -63.7 | 163.9 | 0 | 0 | 0 | 110 | V76 Y77 Q82 | V76-I80 HydrophobicContact CG1-CD1 3.98Å; V76-I80 WeakPolarHBondContact O-CG1 3.1Å; V76-I80 PolarHBondContact O-N 3.32Å; Y77-I80 PolarHBondContact O-N 2.84Å; I80-Q82 PolarHBondContact O-N 3.2Å; I80-Q82 VanDerWaalsContact O-N 3.11Å |
| 81 | L | 76.8 | Confident | 84.5 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -80.6 | 87 | 176.2 | -69.2 | 166.5 | 0 | 0 | 0 | 111.4 | Y77 H83 C86 N1075 | Y77-L81 HydrophobicContact CD1-CD1 3.88Å; Y77-L81 HydrophobicContact CD2-CD1 4.3Å; Y77-L81 HydrophobicContact CE1-CD1 3.36Å; Y77-L81 HydrophobicContact CE2-CD1 3.82Å; Y77-L81 HydrophobicContact CG-CD1 4.32Å; Y77-L81 PolarHBondContact O-N 2.63Å; Y77-L81 VanDerWaalsContact O-N 3.15Å; L81-H83 PolarHBondContact O-N 2.74Å; L81-C86 WeakPolarHBondContact O-CB 3.21Å; L81-N1075 HydrophobicContact CD2-CB 3.87Å |
| 82 | Q | 69.3 | Low | 84.4 | Confident | 172 Ų | 172 | 56.9 Ų | 56.9 | 80% | 0.804 | 30% | 0.297 | S | S | * | . | trans | -68 | 16.9 | -174.2 | -60.6 | -175.4 | -7.9 | 0 | 0 | 115.9 | I80 | I80-Q82 PolarHBondContact O-N 3.2Å; I80-Q82 VanDerWaalsContact O-N 3.11Å | ||
| 83 | H | 70.4 | Confident | 84.3 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 48% | 0.477 | 28% | 0.278 | S | S | . | . | trans | -67.6 | 150 | -178.9 | -148.9 | -104 | 0 | 0 | 0 | 112.2 | L81 S85 C86 | L81-H83 PolarHBondContact O-N 2.74Å; H83-S85 VanDerWaalsContact C-N 3.3Å; H83-S85 PolarHBondContact ND1-OG 2.9Å; H83-S85 PolarHBondContact O-N 2.89Å; H83-C86 WeakPolarHBondContact O-CB 3.27Å; H83-C86 PolarHBondContact O-N 3.45Å | ||
| 84 | H | 70.2 | Confident | 84.3 | Confident | 159 Ų | 159 | 55.5 Ų | 55.5 | 74% | 0.736 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -38.7 | -177.6 | -153 | -54.1 | 0 | 0 | 0 | 112 | C86 L87 | H84-C86 PolarHBondContact O-N 3.39Å; H84-L87 VanDerWaalsContact O-CB 3.31Å; H84-L87 WeakPolarHBondContact O-CB 3.27Å; H84-L87 PolarHBondContact O-N 2.99Å; H84-L87 VanDerWaalsContact O-N 3.13Å |
| 85 | S | 70.1 | Confident | 84.3 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27 | 174.3 | -20.7 | 0 | 0 | 0 | 0 | 112.8 | H83 L87 | H83-S85 VanDerWaalsContact C-N 3.3Å; H83-S85 PolarHBondContact ND1-OG 2.9Å; H83-S85 PolarHBondContact O-N 2.89Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact O-N 2.99Å |
| 86 | C | 76.9 | Confident | 84.3 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -77.7 | -6.4 | 178.3 | -57.7 | 0 | 0 | 0 | 0 | 113.5 | F78 L81 H83 H84 V88 Y89 R90 | F78-C86 HydrophobicContact CB-CB 4.4Å; F78-C86 HydrophobicContact CD1-CB 4.24Å; L81-C86 WeakPolarHBondContact O-CB 3.21Å; H83-C86 WeakPolarHBondContact O-CB 3.27Å; H83-C86 PolarHBondContact O-N 3.45Å; H84-C86 PolarHBondContact O-N 3.39Å; C86-V88 VanDerWaalsContact C-N 3.35Å; C86-Y89 PolarHBondContact O-N 3.2Å; C86-R90 WeakPolarHBondContact O-CG 3.47Å; C86-R90 PolarHBondContact O-N 3.41Å; C86-R90 PolarHBondContact O-NE 2.93Å |
| 87 | L | 83.5 | Confident | 84.4 | Confident | 76 Ų | 76 | 56.3 Ų | 56.3 | 40% | 0.398 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 173.9 | -177.3 | 60.9 | 0 | 0 | 0 | 111.8 | H84 S85 Y89 R90 I91 | H84-L87 VanDerWaalsContact O-CB 3.31Å; H84-L87 WeakPolarHBondContact O-CB 3.27Å; H84-L87 PolarHBondContact O-N 2.99Å; H84-L87 VanDerWaalsContact O-N 3.13Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact O-N 2.99Å; L87-Y89 VanDerWaalsContact C-N 3.35Å; L87-Y89 PolarHBondContact O-N 3.31Å; L87-R90 PolarHBondContact O-N 3.44Å; L87-I91 HydrophobicContact CD1-CD1 4.31Å; L87-I91 HydrophobicContact CG-CD1 4.11Å; L87-I91 WeakPolarHBondContact O-CG1 3.22Å; L87-I91 PolarHBondContact O-N 3.15Å |
| 88 | V | 84.6 | Confident | 84.7 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 32% | 0.321 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 179.3 | -173.6 | 0 | 0 | 0 | 0 | 111 | C86 I91 G92 T137 P138 | C86-V88 VanDerWaalsContact C-N 3.35Å; V88-I91 PolarHBondContact O-N 3.12Å; V88-G92 PolarHBondContact O-N 2.88Å; V88-T137 WeakPolarHBondContact CG1-OG1 3.31Å; V88-P138 HydrophobicContact CG2-CB 4.36Å |
| 89 | Y | 87 | Confident | 84.9 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -43.2 | 175.2 | -58.6 | -35.5 | 0 | 0 | 0 | 112.6 | F78 C86 L87 I91 G92 F93 L134 P138 A143 | F78-Y89 AromaticContact CD1-CD2 3.62Å; F78-Y89 HydrophobicContact CD1-CD2 3.62Å; F78-Y89 HydrophobicContact CD1-CE2 4.47Å; F78-Y89 HydrophobicContact CD1-CG 4.32Å; F78-Y89 HydrophobicContact CD2-CD2 4.28Å; F78-Y89 HydrophobicContact CD2-CG 4.23Å; F78-Y89 AromaticContact CE1-CD2 3.46Å; F78-Y89 HydrophobicContact CE1-CD2 3.46Å; F78-Y89 VanDerWaalsContact CE1-CD2 3.46Å; F78-Y89 AromaticContact CE1-CE2 3.92Å; F78-Y89 HydrophobicContact CE1-CE2 3.92Å; F78-Y89 HydrophobicContact CE1-CG 4.31Å; F78-Y89 HydrophobicContact CE2-CD2 4.16Å; F78-Y89 HydrophobicContact CE2-CG 4.24Å; F78-Y89 HydrophobicContact CG-CD2 4.03Å; F78-Y89 HydrophobicContact CG-CG 4.28Å; F78-Y89 AromaticContact CZ-CD2 3.76Å; F78-Y89 HydrophobicContact CZ-CD2 3.76Å; F78-Y89 HydrophobicContact CZ-CE2 4.17Å; F78-Y89 HydrophobicContact CZ-CG 4.27Å; C86-Y89 PolarHBondContact O-N 3.2Å; L87-Y89 VanDerWaalsContact C-N 3.35Å; L87-Y89 PolarHBondContact O-N 3.31Å; Y89-I91 VanDerWaalsContact C-N 3.34Å; Y89-I91 PolarHBondContact O-N 2.83Å; Y89-G92 PolarHBondContact O-N 3.02Å; Y89-F93 VanDerWaalsContact O-CD2 3.23Å; Y89-F93 WeakPolarHBondContact O-CD2 3.35Å; Y89-F93 PolarHBondContact O-N 3.01Å; Y89-L134 HydrophobicContact CD1-CD2 4.38Å; Y89-L134 HydrophobicContact CD1-CG 4.1Å; Y89-P138 HydrophobicContact CE1-CG 4.03Å; Y89-A143 HydrophobicContact CE2-CB 3.84Å |
| 90 | R | 88.7 | Confident | 85.2 | Confident | 69 Ų | 69 | 59 Ų | 59 | 26% | 0.26 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.8 | -44.8 | 174.9 | -76.5 | 176.8 | -79.8 | 175 | -5.9 | 112.1 | L75 F78 C86 L87 S94 | L75-R90 HydrophobicContact CD1-CB 4.29Å; L75-R90 HydrophobicContact CD1-CG 4.4Å; L75-R90 WeakPolarHBondContact CD1-O 3.37Å; F78-R90 HydrophobicContact CB-CG 4.21Å; F78-R90 VanDerWaalsContact O-CD 3.27Å; F78-R90 WeakPolarHBondContact O-CD 3.46Å; F78-R90 VanDerWaalsContact O-CG 3.29Å; F78-R90 WeakPolarHBondContact O-CG 3.35Å; C86-R90 WeakPolarHBondContact O-CG 3.47Å; C86-R90 PolarHBondContact O-N 3.41Å; C86-R90 PolarHBondContact O-NE 2.93Å; L87-R90 PolarHBondContact O-N 3.44Å; R90-S94 VanDerWaalsContact O-CB 3.27Å; R90-S94 WeakPolarHBondContact O-CB 3.26Å; R90-S94 PolarHBondContact O-N 2.8Å; R90-S94 PolarHBondContact O-OG 3.39Å |
| 91 | I | 89.6 | Confident | 85.5 | Confident | 108 Ų | 108 | 57 Ų | 57 | 55% | 0.554 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64 | -50.6 | 177.4 | -66 | 166.2 | 0 | 0 | 0 | 110.6 | L87 V88 Y89 F93 S94 L95 | L87-I91 HydrophobicContact CD1-CD1 4.31Å; L87-I91 HydrophobicContact CG-CD1 4.11Å; L87-I91 WeakPolarHBondContact O-CG1 3.22Å; L87-I91 PolarHBondContact O-N 3.15Å; V88-I91 PolarHBondContact O-N 3.12Å; Y89-I91 VanDerWaalsContact C-N 3.34Å; Y89-I91 PolarHBondContact O-N 2.83Å; I91-F93 PolarHBondContact O-N 3.46Å; I91-S94 PolarHBondContact O-N 3.19Å; I91-L95 PolarHBondContact O-N 3.01Å |
| 92 | G | 89.9 | Confident | 86.3 | Confident | 11 Ų | 11 | 59.1 Ų | 59.1 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | V88 Y89 L95 G96 | V88-G92 PolarHBondContact O-N 2.88Å; Y89-G92 PolarHBondContact O-N 3.02Å; G92-L95 PolarHBondContact O-N 3.32Å; G92-G96 PolarHBondContact O-N 3.02Å |
| 93 | F | 92.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73.9 | -32.9 | 175.9 | -73.5 | -62.6 | 0 | 0 | 0 | 113.1 | W74 L75 F78 Y89 I91 L95 G96 V97 L131 L134 F147 L151 | W74-F93 HydrophobicContact CB-CD1 3.95Å; W74-F93 HydrophobicContact CB-CD2 3.78Å; W74-F93 HydrophobicContact CB-CE1 3.77Å; W74-F93 HydrophobicContact CB-CE2 3.61Å; W74-F93 HydrophobicContact CB-CG 3.96Å; W74-F93 HydrophobicContact CB-CZ 3.6Å; W74-F93 HydrophobicContact CG-CE1 4.22Å; W74-F93 HydrophobicContact CG-CE2 4.31Å; W74-F93 AromaticContact CG-CZ 3.96Å; W74-F93 HydrophobicContact CG-CZ 3.96Å; L75-F93 HydrophobicContact CB-CB 3.92Å; L75-F93 HydrophobicContact CD1-CB 4.43Å; F78-F93 AromaticContact CD2-CD2 3.97Å; F78-F93 HydrophobicContact CD2-CD2 3.97Å; F78-F93 AromaticContact CD2-CE2 3.83Å; F78-F93 HydrophobicContact CD2-CE2 3.83Å; F78-F93 HydrophobicContact CE2-CD2 4.35Å; F78-F93 AromaticContact CE2-CE2 3.73Å; F78-F93 HydrophobicContact CE2-CE2 3.73Å; Y89-F93 VanDerWaalsContact O-CD2 3.23Å; Y89-F93 WeakPolarHBondContact O-CD2 3.35Å; Y89-F93 PolarHBondContact O-N 3.01Å; I91-F93 PolarHBondContact O-N 3.46Å; F93-L95 VanDerWaalsContact C-N 3.32Å; F93-L95 PolarHBondContact O-N 3.08Å; F93-G96 PolarHBondContact O-N 3.45Å; F93-V97 WeakPolarHBondContact O-CG2 3.34Å; F93-V97 PolarHBondContact O-N 3.18Å; F93-L131 HydrophobicContact CD1-CD1 4.3Å; F93-L131 HydrophobicContact CD1-CD2 4.29Å; F93-L131 HydrophobicContact CE1-CD1 4.37Å; F93-L131 HydrophobicContact CE1-CD2 4.25Å; F93-L131 HydrophobicContact CE1-CG 4.25Å; F93-L134 HydrophobicContact CD2-CD2 3.93Å; F93-L134 HydrophobicContact CE1-CD2 4.46Å; F93-L134 HydrophobicContact CE2-CD2 3.8Å; F93-L134 HydrophobicContact CG-CD2 4.29Å; F93-L134 HydrophobicContact CZ-CD2 4.08Å; F93-F147 HydrophobicContact CE2-CE2 4.04Å; F93-F147 AromaticContact CE2-CZ 3.8Å; F93-F147 HydrophobicContact CE2-CZ 3.8Å; F93-F147 AromaticContact CZ-CE2 3.75Å; F93-F147 HydrophobicContact CZ-CE2 3.75Å; F93-F147 AromaticContact CZ-CZ 3.71Å; F93-F147 HydrophobicContact CZ-CZ 3.71Å; F93-L151 HydrophobicContact CE1-CD1 4.16Å; F93-L151 HydrophobicContact CE1-CD2 4.2Å; F93-L151 HydrophobicContact CZ-CD1 4.35Å; F93-L151 HydrophobicContact CZ-CD2 3.82Å |
| 94 | S | 93.2 | Very high | 88.7 | Confident | 50 Ų | 50 | 50.7 Ų | 50.7 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 170.6 | -61 | 0 | 0 | 0 | 0 | 111.1 | L75 R90 I91 V97 V98 | L75-S94 WeakPolarHBondContact CD1-OG 3.44Å; R90-S94 VanDerWaalsContact O-CB 3.27Å; R90-S94 WeakPolarHBondContact O-CB 3.26Å; R90-S94 PolarHBondContact O-N 2.8Å; R90-S94 PolarHBondContact O-OG 3.39Å; I91-S94 PolarHBondContact O-N 3.19Å; S94-V97 PolarHBondContact O-N 2.94Å; S94-V98 WeakPolarHBondContact O-CG2 3.46Å; S94-V98 PolarHBondContact O-N 3.38Å |
| 95 | L | 92.5 | Very high | 89.8 | Confident | 102 Ų | 102 | 47.5 Ų | 47.5 | 53% | 0.534 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 174 | -176.8 | 62.1 | 0 | 0 | 0 | 111.8 | I91 G92 F93 V97 V98 I99 | I91-L95 PolarHBondContact O-N 3.01Å; G92-L95 PolarHBondContact O-N 3.32Å; F93-L95 VanDerWaalsContact C-N 3.32Å; F93-L95 PolarHBondContact O-N 3.08Å; L95-V97 PolarHBondContact O-N 2.94Å; L95-V98 PolarHBondContact O-N 3.24Å; L95-I99 HydrophobicContact CD1-CD1 3.91Å; L95-I99 HydrophobicContact CD1-CG1 4.13Å; L95-I99 HydrophobicContact CD2-CD1 4.4Å; L95-I99 HydrophobicContact CG-CD1 3.75Å; L95-I99 HydrophobicContact CG-CG1 4.35Å; L95-I99 WeakPolarHBondContact O-CB 3.09Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.34Å; L95-I99 PolarHBondContact O-N 2.76Å |
| 96 | G | 91.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 7% | 0.072 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G92 F93 S100 | G92-G96 PolarHBondContact O-N 3.02Å; F93-G96 PolarHBondContact O-N 3.45Å; G96-S100 VanDerWaalsContact O-CB 3.31Å; G96-S100 WeakPolarHBondContact O-CB 3.29Å; G96-S100 PolarHBondContact O-N 2.67Å; G96-S100 PolarHBondContact O-OG 3.07Å |
| 97 | V | 94.2 | Very high | 91.6 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -50.9 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | V72 L75 F93 S94 L95 I99 S100 I101 | V72-V97 HydrophobicContact CB-CG2 4.42Å; V72-V97 HydrophobicContact CG2-CG1 4.11Å; V72-V97 HydrophobicContact CG2-CG2 3.59Å; L75-V97 HydrophobicContact CD2-CG2 4.48Å; F93-V97 WeakPolarHBondContact O-CG2 3.34Å; F93-V97 PolarHBondContact O-N 3.18Å; S94-V97 PolarHBondContact O-N 2.94Å; L95-V97 PolarHBondContact O-N 2.94Å; V97-I99 PolarHBondContact O-N 2.68Å; V97-S100 PolarHBondContact O-N 3Å; V97-I101 HydrophobicContact CG1-CD1 3.72Å; V97-I101 HydrophobicContact CG1-CG1 4.48Å; V97-I101 WeakPolarHBondContact O-CG1 3.47Å; V97-I101 PolarHBondContact O-N 2.85Å |
| 98 | V | 95 | Very high | 92 | Very high | 85 Ų | 85 | 49.8 Ų | 49.8 | 52% | 0.515 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.8 | -50.8 | 179.6 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | S94 L95 S100 I101 T102 | S94-V98 WeakPolarHBondContact O-CG2 3.46Å; S94-V98 PolarHBondContact O-N 3.38Å; L95-V98 PolarHBondContact O-N 3.24Å; V98-S100 VanDerWaalsContact C-N 3.34Å; V98-S100 PolarHBondContact O-N 2.78Å; V98-I101 PolarHBondContact O-N 3.46Å; V98-T102 PolarHBondContact O-N 3.14Å; V98-T102 PolarHBondContact O-OG1 3.37Å |
| 99 | I | 93.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 54 Ų | 54 | 23% | 0.231 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 178.5 | -72.2 | 174 | 0 | 0 | 0 | 111.3 | L95 V97 I101 T102 Y103 I127 | L95-I99 HydrophobicContact CD1-CD1 3.91Å; L95-I99 HydrophobicContact CD1-CG1 4.13Å; L95-I99 HydrophobicContact CD2-CD1 4.4Å; L95-I99 HydrophobicContact CG-CD1 3.75Å; L95-I99 HydrophobicContact CG-CG1 4.35Å; L95-I99 WeakPolarHBondContact O-CB 3.09Å; L95-I99 VanDerWaalsContact O-CG1 3.29Å; L95-I99 WeakPolarHBondContact O-CG1 3.34Å; L95-I99 PolarHBondContact O-N 2.76Å; V97-I99 PolarHBondContact O-N 2.68Å; I99-I101 VanDerWaalsContact C-N 3.34Å; I99-I101 PolarHBondContact O-N 3.04Å; I99-T102 PolarHBondContact O-N 3.43Å; I99-Y103 HydrophobicContact CG2-CD2 3.66Å; I99-Y103 HydrophobicContact CG2-CE2 3.69Å; I99-Y103 VanDerWaalsContact O-CD2 3.31Å; I99-Y103 WeakPolarHBondContact O-CD2 3.44Å; I99-Y103 PolarHBondContact O-N 2.85Å; I99-I127 HydrophobicContact CD1-CG2 4.08Å; I99-I127 HydrophobicContact CG2-CG2 4.04Å |
| 100 | S | 92.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | T67 G96 V97 V98 F104 | T67-S100 WeakPolarHBondContact CG2-OG 3.34Å; G96-S100 VanDerWaalsContact O-CB 3.31Å; G96-S100 WeakPolarHBondContact O-CB 3.29Å; G96-S100 PolarHBondContact O-N 2.67Å; G96-S100 PolarHBondContact O-OG 3.07Å; V97-S100 PolarHBondContact O-N 3Å; V98-S100 VanDerWaalsContact C-N 3.34Å; V98-S100 PolarHBondContact O-N 2.78Å; S100-F104 WeakPolarHBondContact O-CB 3.41Å; S100-F104 PolarHBondContact O-N 3.35Å |
| 101 | I | 93.2 | Very high | 92.3 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 43% | 0.426 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 174.7 | -67.5 | 170.2 | 0 | 0 | 0 | 110.9 | V97 V98 I99 Y103 F104 L105 | V97-I101 HydrophobicContact CG1-CD1 3.72Å; V97-I101 HydrophobicContact CG1-CG1 4.48Å; V97-I101 WeakPolarHBondContact O-CG1 3.47Å; V97-I101 PolarHBondContact O-N 2.85Å; V98-I101 PolarHBondContact O-N 3.46Å; I99-I101 VanDerWaalsContact C-N 3.34Å; I99-I101 PolarHBondContact O-N 3.04Å; I101-Y103 PolarHBondContact O-N 3.27Å; I101-F104 PolarHBondContact O-N 2.88Å; I101-L105 HydrophobicContact CG2-CD1 3.97Å; I101-L105 HydrophobicContact CG2-CG 4.35Å; I101-L105 WeakPolarHBondContact O-CB 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.26Å; I101-L105 PolarHBondContact O-N 3.11Å |
| 102 | T | 94.5 | Very high | 92.3 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 47% | 0.466 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.7 | -48 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 111 | V98 I99 F104 L105 T106 | V98-T102 PolarHBondContact O-N 3.14Å; V98-T102 PolarHBondContact O-OG1 3.37Å; I99-T102 PolarHBondContact O-N 3.43Å; T102-F104 PolarHBondContact O-N 3.25Å; T102-L105 PolarHBondContact O-N 3.07Å; T102-T106 HydrophobicContact CG2-CG2 4.48Å; T102-T106 VanDerWaalsContact O-CG2 3.28Å; T102-T106 WeakPolarHBondContact O-CG2 3.37Å; T102-T106 PolarHBondContact O-N 3.34Å |
| 103 | Y | 94.8 | Very high | 92.4 | Very high | 33 Ų | 33 | 61.7 Ų | 61.7 | 13% | 0.129 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.3 | -85.2 | -67 | 0 | 0 | 0 | 112.4 | F60 I99 I101 L105 T106 S107 I120 S123 H124 I127 | F60-Y103 AromaticContact CZ-CD1 4Å; F60-Y103 HydrophobicContact CZ-CD1 4Å; F60-Y103 HydrophobicContact CZ-CG 4.39Å; I99-Y103 HydrophobicContact CG2-CD2 3.66Å; I99-Y103 HydrophobicContact CG2-CE2 3.69Å; I99-Y103 VanDerWaalsContact O-CD2 3.31Å; I99-Y103 WeakPolarHBondContact O-CD2 3.44Å; I99-Y103 PolarHBondContact O-N 2.85Å; I101-Y103 PolarHBondContact O-N 3.27Å; Y103-L105 VanDerWaalsContact C-N 3.33Å; Y103-L105 PolarHBondContact O-N 3.38Å; Y103-T106 PolarHBondContact O-N 2.82Å; Y103-T106 PolarHBondContact O-OG1 3.06Å; Y103-S107 PolarHBondContact O-N 3.39Å; Y103-I120 HydrophobicContact CD1-CG2 3.82Å; Y103-I120 HydrophobicContact CE1-CG2 3.88Å; Y103-S123 VanDerWaalsContact OH-CB 3.22Å; Y103-S123 WeakPolarHBondContact OH-CB 3.48Å; Y103-S123 PolarHBondContact OH-OG 3.13Å; Y103-H124 HydrophobicContact CD1-CB 4Å; Y103-H124 HydrophobicContact CD2-CB 4.13Å; Y103-H124 AromaticContact CD2-CD2 3.65Å; Y103-H124 HydrophobicContact CE1-CB 3.96Å; Y103-H124 HydrophobicContact CE2-CB 4.1Å; Y103-H124 HydrophobicContact CG-CB 4.08Å; Y103-H124 AromaticContact CG-CD2 3.78Å; Y103-H124 PolarHBondContact OH-N 2.69Å; Y103-I127 HydrophobicContact CE2-CD1 4.35Å |
| 104 | F | 94.4 | Very high | 92.2 | Very high | 65 Ų | 65 | 67.4 Ų | 67.4 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.9 | -47.3 | 173.8 | 179.9 | -103.1 | 0 | 0 | 0 | 111.5 | R61 V65 S100 I101 T102 S107 F108 | R61-F104 HydrophobicContact CB-CD2 4.11Å; R61-F104 HydrophobicContact CB-CE2 4.01Å; R61-F104 HydrophobicContact CG-CD2 4.11Å; R61-F104 HydrophobicContact CG-CE2 4.11Å; V65-F104 HydrophobicContact CG2-CD2 3.79Å; V65-F104 HydrophobicContact CG2-CE2 3.73Å; S100-F104 WeakPolarHBondContact O-CB 3.41Å; S100-F104 PolarHBondContact O-N 3.35Å; I101-F104 PolarHBondContact O-N 2.88Å; T102-F104 PolarHBondContact O-N 3.25Å; F104-S107 WeakPolarHBondContact O-CB 3.35Å; F104-S107 PolarHBondContact O-N 2.89Å; F104-S107 PolarHBondContact O-OG 3.02Å; F104-F108 HydrophobicContact CD1-CE2 4.04Å; F104-F108 AromaticContact CE1-CE2 3.63Å; F104-F108 HydrophobicContact CE1-CE2 3.63Å; F104-F108 HydrophobicContact CE1-CZ 4.09Å; F104-F108 HydrophobicContact CE2-CE2 4.26Å; F104-F108 AromaticContact CZ-CE2 3.76Å; F104-F108 HydrophobicContact CZ-CE2 3.76Å; F104-F108 AromaticContact CZ-CZ 3.95Å; F104-F108 HydrophobicContact CZ-CZ 3.95Å; F104-F108 WeakPolarHBondContact O-CD2 3.34Å |
| 105 | L | 94.6 | Very high | 92 | Very high | 92 Ų | 92 | 69.7 Ų | 69.7 | 48% | 0.482 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.7 | -69 | 172.9 | 0 | 0 | 0 | 112.8 | I101 T102 Y103 S107 F108 F109 | I101-L105 HydrophobicContact CG2-CD1 3.97Å; I101-L105 HydrophobicContact CG2-CG 4.35Å; I101-L105 WeakPolarHBondContact O-CB 3.3Å; I101-L105 WeakPolarHBondContact O-CG 3.26Å; I101-L105 PolarHBondContact O-N 3.11Å; T102-L105 PolarHBondContact O-N 3.07Å; Y103-L105 VanDerWaalsContact C-N 3.33Å; Y103-L105 PolarHBondContact O-N 3.38Å; L105-S107 PolarHBondContact O-N 3.1Å; L105-S107 VanDerWaalsContact O-N 3.11Å; L105-F108 PolarHBondContact O-N 3.25Å; L105-F109 WeakPolarHBondContact O-CD2 3.5Å |
| 106 | T | 92.6 | Very high | 91.9 | Very high | 35 Ų | 35 | 72 Ų | 72 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.4 | -31.5 | 177.1 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | T102 Y103 F108 F109 | T102-T106 HydrophobicContact CG2-CG2 4.48Å; T102-T106 VanDerWaalsContact O-CG2 3.28Å; T102-T106 WeakPolarHBondContact O-CG2 3.37Å; T102-T106 PolarHBondContact O-N 3.34Å; Y103-T106 PolarHBondContact O-N 2.82Å; Y103-T106 PolarHBondContact O-OG1 3.06Å; T106-F108 PolarHBondContact O-N 3.2Å; T106-F109 PolarHBondContact O-N 3.19Å; T106-F109 VanDerWaalsContact O-N 3.12Å |
| 107 | S | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -8.6 | 179.1 | 83 | 0 | 0 | 0 | 0 | 115 | R61 Y103 F104 L105 | R61-S107 WeakPolarHBondContact CG-OG 3.43Å; R61-S107 PolarHBondContact NE-OG 2.88Å; R61-S107 PolarHBondContact NH2-O 3.08Å; Y103-S107 PolarHBondContact O-N 3.39Å; F104-S107 WeakPolarHBondContact O-CB 3.35Å; F104-S107 PolarHBondContact O-N 2.89Å; F104-S107 PolarHBondContact O-OG 3.02Å; L105-S107 PolarHBondContact O-N 3.1Å; L105-S107 VanDerWaalsContact O-N 3.11Å |
| 108 | F | 92.5 | Very high | 91.5 | Very high | 107 Ų | 107 | 74.8 Ų | 74.8 | 47% | 0.469 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -22.7 | 171.6 | -71.6 | -99 | 0 | 0 | 0 | 112.4 | F104 L105 T106 D110 | F104-F108 HydrophobicContact CD1-CE2 4.04Å; F104-F108 AromaticContact CE1-CE2 3.63Å; F104-F108 HydrophobicContact CE1-CE2 3.63Å; F104-F108 HydrophobicContact CE1-CZ 4.09Å; F104-F108 HydrophobicContact CE2-CE2 4.26Å; F104-F108 AromaticContact CZ-CE2 3.76Å; F104-F108 HydrophobicContact CZ-CE2 3.76Å; F104-F108 AromaticContact CZ-CZ 3.95Å; F104-F108 HydrophobicContact CZ-CZ 3.95Å; F104-F108 WeakPolarHBondContact O-CD2 3.34Å; L105-F108 PolarHBondContact O-N 3.25Å; T106-F108 PolarHBondContact O-N 3.2Å; F108-D110 PolarHBondContact O-N 3.43Å; F108-D110 VanDerWaalsContact O-N 3.08Å |
| 109 | F | 92.7 | Very high | 91.4 | Very high | 140 Ų | 140 | 76.8 Ų | 76.8 | 61% | 0.614 | 37% | 0.374 | S | S | * | . | trans | -85.4 | 76.6 | 178.2 | -61.9 | -83.2 | 0 | 0 | 0 | 110.4 | L105 T106 K111 L112 F113 | L105-F109 WeakPolarHBondContact O-CD2 3.5Å; T106-F109 PolarHBondContact O-N 3.19Å; T106-F109 VanDerWaalsContact O-N 3.12Å; F109-K111 PolarHBondContact O-N 3.47Å; F109-K111 VanDerWaalsContact O-N 3.07Å; F109-L112 HydrophobicContact CB-CB 4.35Å; F109-L112 WeakPolarHBondContact O-CA 3.48Å; F109-L112 PolarHBondContact O-N 2.84Å; F109-F113 PolarHBondContact O-N 3.26Å | ||
| 110 | D | 86 | Confident | 91.4 | Very high | 64 Ų | 64 | 75.4 Ų | 75.4 | 34% | 0.342 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -52.4 | -34.5 | -175.2 | -86.9 | -42.2 | 0 | 0 | 0 | 114.1 | Y53 R57 F108 L112 F113 K114 | Y53-D110 PolarHBondContact OH-OD1 2.78Å; R57-D110 IonicContact CZ-OD1 2.63Å; R57-D110 IonicContact CZ-OD2 2.66Å; R57-D110 IonicContact NE-OD1 2.84Å; R57-D110 IonicContact NH1-OD1 3.99Å; R57-D110 PolarHBondContact NH1-OD1 3.07Å; R57-D110 IonicContact NH1-OD2 2.76Å; R57-D110 PolarHBondContact NH1-OD2 2.73Å; F108-D110 PolarHBondContact O-N 3.43Å; F108-D110 VanDerWaalsContact O-N 3.08Å; D110-L112 PolarHBondContact O-N 2.82Å; D110-F113 PolarHBondContact O-N 2.9Å; D110-K114 WeakPolarHBondContact O-CB 3.25Å; D110-K114 PolarHBondContact O-N 2.91Å |
| 111 | K | 88 | Confident | 91.5 | Very high | 207 Ų | 207 | 75.3 Ų | 75.3 | 90% | 0.9 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.8 | -30.9 | 174.7 | -72.3 | -167 | 174.6 | -169.4 | 0 | 113.3 | F109 P115 | F109-K111 PolarHBondContact O-N 3.47Å; F109-K111 VanDerWaalsContact O-N 3.07Å; K111-P115 WeakPolarHBondContact O-CD 3.4Å; K111-P115 WeakPolarHBondContact O-CG 3.18Å |
| 112 | L | 89.6 | Confident | 91.5 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -95.4 | -42.4 | 178.3 | 179.4 | 146.3 | 0 | 0 | 0 | 111.5 | F109 D110 I120 | F109-L112 HydrophobicContact CB-CB 4.35Å; F109-L112 WeakPolarHBondContact O-CA 3.48Å; F109-L112 PolarHBondContact O-N 2.84Å; D110-L112 PolarHBondContact O-N 2.82Å; L112-I120 HydrophobicContact CD2-CD1 3.74Å |
| 113 | F | 91.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -71.2 | -47.4 | -176.6 | -169.1 | -95.2 | 0 | 0 | 0 | 112.5 | Y53 R57 F60 F109 D110 R116 A117 I120 | Y53-F113 HydrophobicContact CE2-CD1 4.01Å; Y53-F113 HydrophobicContact CE2-CE1 4.27Å; Y53-F113 WeakPolarHBondContact OH-CD1 3.45Å; R57-F113 HydrophobicContact CB-CE1 4.19Å; R57-F113 HydrophobicContact CG-CD1 4.33Å; R57-F113 HydrophobicContact CG-CE1 4.06Å; F60-F113 HydrophobicContact CB-CZ 4.17Å; F60-F113 AromaticContact CD1-CE2 3.56Å; F60-F113 HydrophobicContact CD1-CE2 3.56Å; F60-F113 AromaticContact CD1-CZ 3.64Å; F60-F113 HydrophobicContact CD1-CZ 3.64Å; F60-F113 HydrophobicContact CD2-CZ 4.42Å; F60-F113 HydrophobicContact CE1-CD2 4.5Å; F60-F113 AromaticContact CE1-CE2 3.57Å; F60-F113 HydrophobicContact CE1-CE2 3.57Å; F60-F113 HydrophobicContact CE1-CZ 4.15Å; F60-F113 HydrophobicContact CG-CE2 4.06Å; F60-F113 AromaticContact CG-CZ 3.8Å; F60-F113 HydrophobicContact CG-CZ 3.8Å; F60-F113 HydrophobicContact CZ-CE2 4.08Å; F109-F113 PolarHBondContact O-N 3.26Å; D110-F113 PolarHBondContact O-N 2.9Å; F113-R116 CarbonylContact O-C 3.56Å; F113-R116 PolarHBondContact O-N 2.9Å; F113-R116 VanDerWaalsContact O-N 3.17Å; F113-A117 HydrophobicContact CD1-CB 4.26Å; F113-A117 HydrophobicContact CE1-CB 3.96Å; F113-A117 HydrophobicContact CZ-CB 4.35Å; F113-A117 VanDerWaalsContact O-CA 3.23Å; F113-A117 WeakPolarHBondContact O-CA 3.49Å; F113-A117 WeakPolarHBondContact O-CB 3.41Å; F113-A117 PolarHBondContact O-N 2.71Å; F113-I120 HydrophobicContact CD2-CB 4.43Å; F113-I120 HydrophobicContact CD2-CD1 4.01Å; F113-I120 HydrophobicContact CD2-CG2 3.96Å; F113-I120 HydrophobicContact CE2-CB 4.28Å; F113-I120 HydrophobicContact CE2-CG2 3.76Å |
| 114 | K | 87.7 | Confident | 91.4 | Very high | 119 Ų | 119 | 69 Ų | 69 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.1 | -49.2 | -174.2 | -168.4 | 175.1 | -177.8 | 179.5 | 0 | 114.7 | Y53 D110 R116 | Y53-K114 HydrophobicContact CD2-CG 4.34Å; Y53-K114 HydrophobicContact CE1-CD 4.37Å; Y53-K114 HydrophobicContact CE1-CG 4.33Å; Y53-K114 HydrophobicContact CE2-CB 3.99Å; Y53-K114 HydrophobicContact CE2-CG 3.88Å; D110-K114 WeakPolarHBondContact O-CB 3.25Å; D110-K114 PolarHBondContact O-N 2.91Å; K114-R116 VanDerWaalsContact C-N 3.34Å |
| 115 | P | 88.4 | Confident | 91.3 | Very high | 99 Ų | 99 | 66 Ų | 66 | 64% | 0.643 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -75.4 | -19.4 | 179.3 | 30 | -36 | 0 | 0 | 0 | 113.8 | K111 | K111-P115 WeakPolarHBondContact O-CD 3.4Å; K111-P115 WeakPolarHBondContact O-CG 3.18Å |
| 116 | R | 90.5 | Very high | 91.2 | Very high | 150 Ų | 150 | 68.2 Ų | 68.2 | 57% | 0.566 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -115.6 | 13.4 | -175.3 | -63.9 | 179.1 | 179.7 | 174.8 | 0.2 | 113.3 | F113 K114 I118 L119 I120 | F113-R116 CarbonylContact O-C 3.56Å; F113-R116 PolarHBondContact O-N 2.9Å; F113-R116 VanDerWaalsContact O-N 3.17Å; K114-R116 VanDerWaalsContact C-N 3.34Å; R116-I118 VanDerWaalsContact C-N 3.32Å; R116-I118 PolarHBondContact O-N 3.23Å; R116-L119 WeakPolarHBondContact O-CB 3.49Å; R116-L119 PolarHBondContact O-N 2.67Å; R116-I120 HydrophobicContact CB-CD1 3.72Å; R116-I120 HydrophobicContact CB-CG1 4.06Å; R116-I120 WeakPolarHBondContact O-CG1 3.29Å; R116-I120 PolarHBondContact O-N 2.91Å |
| 117 | A | 89.4 | Confident | 91.1 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.9 | -41 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F113 S121 | F113-A117 HydrophobicContact CD1-CB 4.26Å; F113-A117 HydrophobicContact CE1-CB 3.96Å; F113-A117 HydrophobicContact CZ-CB 4.35Å; F113-A117 VanDerWaalsContact O-CA 3.23Å; F113-A117 WeakPolarHBondContact O-CA 3.49Å; F113-A117 WeakPolarHBondContact O-CB 3.41Å; F113-A117 PolarHBondContact O-N 2.71Å; A117-S121 WeakPolarHBondContact O-CB 3.34Å; A117-S121 PolarHBondContact O-N 2.87Å; A117-S121 PolarHBondContact O-OG 3.08Å |
| 118 | I | 89.4 | Confident | 91 | Very high | 79 Ų | 79 | 69.4 Ų | 69.4 | 41% | 0.405 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 177.5 | -61.4 | 173.7 | 0 | 0 | 0 | 110.8 | R116 S121 G122 L165 | R116-I118 VanDerWaalsContact C-N 3.32Å; R116-I118 PolarHBondContact O-N 3.23Å; I118-S121 PolarHBondContact O-N 3.33Å; I118-G122 PolarHBondContact O-N 2.79Å; I118-L165 HydrophobicContact CG2-CD2 4.04Å |
| 119 | L | 92.6 | Very high | 90.7 | Very high | 126 Ų | 126 | 64.3 Ų | 64.3 | 66% | 0.66 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.8 | -42.6 | 179.5 | -177.5 | 65.1 | 0 | 0 | 0 | 112 | R116 G122 S123 | R116-L119 WeakPolarHBondContact O-CB 3.49Å; R116-L119 PolarHBondContact O-N 2.67Å; L119-G122 PolarHBondContact O-N 3.02Å; L119-S123 WeakPolarHBondContact O-CB 3.17Å; L119-S123 PolarHBondContact O-N 2.92Å; L119-S123 PolarHBondContact O-OG 3.14Å |
| 120 | I | 93.8 | Very high | 90.5 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 9% | 0.087 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 176.5 | -65.5 | 167.3 | 0 | 0 | 0 | 110.3 | F60 Y103 L112 F113 R116 S123 H124 | F60-I120 HydrophobicContact CE2-CG2 4.47Å; F60-I120 HydrophobicContact CZ-CG2 3.95Å; Y103-I120 HydrophobicContact CD1-CG2 3.82Å; Y103-I120 HydrophobicContact CE1-CG2 3.88Å; L112-I120 HydrophobicContact CD2-CD1 3.74Å; F113-I120 HydrophobicContact CD2-CB 4.43Å; F113-I120 HydrophobicContact CD2-CD1 4.01Å; F113-I120 HydrophobicContact CD2-CG2 3.96Å; F113-I120 HydrophobicContact CE2-CB 4.28Å; F113-I120 HydrophobicContact CE2-CG2 3.76Å; R116-I120 HydrophobicContact CB-CD1 3.72Å; R116-I120 HydrophobicContact CB-CG1 4.06Å; R116-I120 WeakPolarHBondContact O-CG1 3.29Å; R116-I120 PolarHBondContact O-N 2.91Å; I120-S123 WeakPolarHBondContact CA-OG 3.23Å; I120-S123 PolarHBondContact O-OG 3.38Å; I120-S123 VanDerWaalsContact O-OG 3.12Å; I120-H124 WeakPolarHBondContact O-CB 3.38Å; I120-H124 PolarHBondContact O-N 2.96Å |
| 121 | S | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 175.3 | -59 | 0 | 0 | 0 | 0 | 112.5 | A117 I118 A125 P164 | A117-S121 WeakPolarHBondContact O-CB 3.34Å; A117-S121 PolarHBondContact O-N 2.87Å; A117-S121 PolarHBondContact O-OG 3.08Å; I118-S121 PolarHBondContact O-N 3.33Å; S121-A125 WeakPolarHBondContact O-CB 3.45Å; S121-A125 PolarHBondContact O-N 3.14Å; S121-P164 WeakPolarHBondContact OG-CG 3.31Å |
| 122 | G | 93.2 | Very high | 90.4 | Very high | 15 Ų | 15 | 48.6 Ų | 48.6 | 16% | 0.155 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | I118 L119 A125 W126 | I118-G122 PolarHBondContact O-N 2.79Å; L119-G122 PolarHBondContact O-N 3.02Å; G122-A125 PolarHBondContact O-N 3.14Å; G122-W126 WeakPolarHBondContact O-CB 3.38Å; G122-W126 PolarHBondContact O-N 3.4Å |
| 123 | S | 93.8 | Very high | 90.2 | Very high | 40 Ų | 40 | 46.2 Ų | 46.2 | 28% | 0.28 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | Y103 L119 I120 W126 I127 | Y103-S123 VanDerWaalsContact OH-CB 3.22Å; Y103-S123 WeakPolarHBondContact OH-CB 3.48Å; Y103-S123 PolarHBondContact OH-OG 3.13Å; L119-S123 WeakPolarHBondContact O-CB 3.17Å; L119-S123 PolarHBondContact O-N 2.92Å; L119-S123 PolarHBondContact O-OG 3.14Å; I120-S123 WeakPolarHBondContact CA-OG 3.23Å; I120-S123 PolarHBondContact O-OG 3.38Å; I120-S123 VanDerWaalsContact O-OG 3.12Å; S123-W126 PolarHBondContact O-N 3.43Å; S123-I127 WeakPolarHBondContact O-CB 3.15Å; S123-I127 VanDerWaalsContact O-CG1 3.29Å; S123-I127 WeakPolarHBondContact O-CG1 3.33Å; S123-I127 PolarHBondContact O-N 3.23Å |
| 124 | H | 93.7 | Very high | 89.8 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 170.7 | 174.3 | -91.6 | 0 | 0 | 0 | 111.8 | F60 T64 Y103 I120 W126 I127 S128 | F60-H124 HydrophobicContact CE2-CB 3.83Å; F60-H124 AromaticContact CE2-CG 3.99Å; F60-H124 HydrophobicContact CZ-CB 4.25Å; T64-H124 WeakPolarHBondContact CG2-NE2 3.39Å; Y103-H124 HydrophobicContact CD1-CB 4Å; Y103-H124 HydrophobicContact CD2-CB 4.13Å; Y103-H124 AromaticContact CD2-CD2 3.65Å; Y103-H124 HydrophobicContact CE1-CB 3.96Å; Y103-H124 HydrophobicContact CE2-CB 4.1Å; Y103-H124 HydrophobicContact CG-CB 4.08Å; Y103-H124 AromaticContact CG-CD2 3.78Å; Y103-H124 PolarHBondContact OH-N 2.69Å; I120-H124 WeakPolarHBondContact O-CB 3.38Å; I120-H124 PolarHBondContact O-N 2.96Å; H124-W126 VanDerWaalsContact C-N 3.34Å; H124-W126 PolarHBondContact O-N 3.06Å; H124-I127 PolarHBondContact O-N 2.87Å; H124-S128 PolarHBondContact CE1-OG 3.16Å; H124-S128 VanDerWaalsContact CE1-OG 3.31Å; H124-S128 PolarHBondContact NE2-OG 3.24Å; H124-S128 WeakPolarHBondContact O-CB 3.33Å; H124-S128 PolarHBondContact O-N 2.89Å; H124-S128 PolarHBondContact O-OG 3.13Å |
| 125 | A | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58 | -44 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S121 G122 C129 T159 L165 I173 | S121-A125 WeakPolarHBondContact O-CB 3.45Å; S121-A125 PolarHBondContact O-N 3.14Å; G122-A125 PolarHBondContact O-N 3.14Å; A125-C129 WeakPolarHBondContact O-CB 3.47Å; A125-C129 PolarHBondContact O-N 2.91Å; A125-C129 PolarHBondContact O-SG 3.42Å; A125-T159 HydrophobicContact CB-CG2 3.63Å; A125-L165 HydrophobicContact CB-CD1 4.12Å; A125-I173 HydrophobicContact CB-CD1 4.17Å; A125-I173 HydrophobicContact CB-CG2 4.2Å |
| 126 | W | 92.1 | Very high | 88.8 | Confident | 140 Ų | 140 | 37.8 Ų | 37.8 | 53% | 0.53 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.4 | -51.6 | 178.1 | -173.7 | 66.7 | 0 | 0 | 0 | 112.1 | G122 S123 H124 S128 C129 L130 I173 | G122-W126 WeakPolarHBondContact O-CB 3.38Å; G122-W126 PolarHBondContact O-N 3.4Å; S123-W126 PolarHBondContact O-N 3.43Å; H124-W126 VanDerWaalsContact C-N 3.34Å; H124-W126 PolarHBondContact O-N 3.06Å; W126-S128 VanDerWaalsContact C-N 3.33Å; W126-S128 PolarHBondContact O-N 3.3Å; W126-C129 PolarHBondContact O-N 2.93Å; W126-L130 HydrophobicContact CD2-CD1 3.8Å; W126-L130 HydrophobicContact CD2-CG 4.49Å; W126-L130 HydrophobicContact CE3-CD1 3.9Å; W126-L130 HydrophobicContact CH2-CD1 3.85Å; W126-L130 HydrophobicContact CZ2-CD1 3.75Å; W126-L130 HydrophobicContact CZ3-CD1 3.92Å; W126-L130 WeakPolarHBondContact O-CG 3.23Å; W126-L130 PolarHBondContact O-N 2.94Å; W126-I173 HydrophobicContact CB-CG2 4.14Å |
| 127 | I | 91.7 | Very high | 88.2 | Confident | 55 Ų | 55 | 34.6 Ų | 34.6 | 28% | 0.282 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.1 | -38.8 | -180 | -65 | 169.7 | 0 | 0 | 0 | 111.3 | I99 Y103 S123 H124 L130 L131 | I99-I127 HydrophobicContact CD1-CG2 4.08Å; I99-I127 HydrophobicContact CG2-CG2 4.04Å; Y103-I127 HydrophobicContact CE2-CD1 4.35Å; S123-I127 WeakPolarHBondContact O-CB 3.15Å; S123-I127 VanDerWaalsContact O-CG1 3.29Å; S123-I127 WeakPolarHBondContact O-CG1 3.33Å; S123-I127 PolarHBondContact O-N 3.23Å; H124-I127 PolarHBondContact O-N 2.87Å; I127-L130 PolarHBondContact O-N 2.88Å; I127-L131 PolarHBondContact O-N 3.17Å; I127-L131 VanDerWaalsContact O-N 3.09Å |
| 128 | S | 89 | Confident | 87.6 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -39.6 | 175.4 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | H124 W126 L131 L155 | H124-S128 PolarHBondContact CE1-OG 3.16Å; H124-S128 VanDerWaalsContact CE1-OG 3.31Å; H124-S128 PolarHBondContact NE2-OG 3.24Å; H124-S128 WeakPolarHBondContact O-CB 3.33Å; H124-S128 PolarHBondContact O-N 2.89Å; H124-S128 PolarHBondContact O-OG 3.13Å; W126-S128 VanDerWaalsContact C-N 3.33Å; W126-S128 PolarHBondContact O-N 3.3Å; S128-L131 WeakPolarHBondContact O-CB 3.49Å; S128-L131 PolarHBondContact O-N 2.68Å; S128-L155 WeakPolarHBondContact O-CD1 3.35Å |
| 129 | C | 86.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 172.8 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | A125 W126 L131 G132 I152 V177 | A125-C129 WeakPolarHBondContact O-CB 3.47Å; A125-C129 PolarHBondContact O-N 2.91Å; A125-C129 PolarHBondContact O-SG 3.42Å; W126-C129 PolarHBondContact O-N 2.93Å; C129-L131 VanDerWaalsContact C-N 3.25Å; C129-L131 PolarHBondContact O-N 2.92Å; C129-G132 PolarHBondContact O-N 3.21Å; C129-I152 WeakPolarHBondContact O-CD1 3.33Å; C129-V177 HydrophobicContact CB-CB 4.36Å; C129-V177 HydrophobicContact CB-CG1 4.15Å; C129-V177 HydrophobicContact CB-CG2 4.07Å |
| 130 | L | 87.8 | Confident | 85.5 | Confident | 58 Ų | 58 | 35.8 Ų | 35.8 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.8 | -27.7 | 176.2 | -71.7 | 175.8 | 0 | 0 | 0 | 113.4 | W126 I127 G132 L133 V177 | W126-L130 HydrophobicContact CD2-CD1 3.8Å; W126-L130 HydrophobicContact CD2-CG 4.49Å; W126-L130 HydrophobicContact CE3-CD1 3.9Å; W126-L130 HydrophobicContact CH2-CD1 3.85Å; W126-L130 HydrophobicContact CZ2-CD1 3.75Å; W126-L130 HydrophobicContact CZ3-CD1 3.92Å; W126-L130 WeakPolarHBondContact O-CG 3.23Å; W126-L130 PolarHBondContact O-N 2.94Å; I127-L130 PolarHBondContact O-N 2.88Å; L130-G132 PolarHBondContact O-N 2.83Å; L130-L133 HydrophobicContact CD2-CD1 3.65Å; L130-L133 WeakPolarHBondContact O-CB 3.48Å; L130-L133 PolarHBondContact O-N 3Å; L130-V177 HydrophobicContact CD2-CG2 4.48Å |
| 131 | L | 87.9 | Confident | 84.2 | Confident | 23 Ų | 23 | 36.2 Ų | 36.2 | 12% | 0.12 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -57.8 | -27.8 | 172.1 | -173.7 | 64.1 | 0 | 0 | 0 | 112.1 | S71 F93 I127 S128 C129 L133 L134 L155 | S71-L131 WeakPolarHBondContact OG-CD2 3.44Å; F93-L131 HydrophobicContact CD1-CD1 4.3Å; F93-L131 HydrophobicContact CD1-CD2 4.29Å; F93-L131 HydrophobicContact CE1-CD1 4.37Å; F93-L131 HydrophobicContact CE1-CD2 4.25Å; F93-L131 HydrophobicContact CE1-CG 4.25Å; I127-L131 PolarHBondContact O-N 3.17Å; I127-L131 VanDerWaalsContact O-N 3.09Å; S128-L131 WeakPolarHBondContact O-CB 3.49Å; S128-L131 PolarHBondContact O-N 2.68Å; C129-L131 VanDerWaalsContact C-N 3.25Å; C129-L131 PolarHBondContact O-N 2.92Å; L131-L133 PolarHBondContact O-N 3.28Å; L131-L134 HydrophobicContact CD1-CD2 4.23Å; L131-L134 VanDerWaalsContact O-CB 3.24Å; L131-L134 WeakPolarHBondContact O-CB 3.39Å; L131-L134 PolarHBondContact O-N 2.96Å; L131-L155 HydrophobicContact CB-CD1 4.42Å |
| 132 | G | 83.8 | Confident | 83 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -63.1 | -20.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | C129 L130 Q181 | C129-G132 PolarHBondContact O-N 3.21Å; L130-G132 PolarHBondContact O-N 2.83Å; G132-Q181 PolarHBondContact O-NE2 3.14Å |
| 133 | L | 86 | Confident | 82.1 | Confident | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -84.2 | -8.5 | 178.3 | -56.1 | 177.1 | 0 | 0 | 0 | 113.4 | L130 L131 A135 F136 V177 L180 Q181 L184 | L130-L133 HydrophobicContact CD2-CD1 3.65Å; L130-L133 WeakPolarHBondContact O-CB 3.48Å; L130-L133 PolarHBondContact O-N 3Å; L131-L133 PolarHBondContact O-N 3.28Å; L133-A135 PolarHBondContact O-N 3.46Å; L133-A135 VanDerWaalsContact O-N 3.08Å; L133-F136 HydrophobicContact CB-CD2 4.44Å; L133-F136 HydrophobicContact CD2-CD2 4.34Å; L133-F136 HydrophobicContact CD2-CE2 4.18Å; L133-F136 WeakPolarHBondContact O-CD2 3.26Å; L133-F136 PolarHBondContact O-N 2.8Å; L133-V177 HydrophobicContact CD2-CG1 4.44Å; L133-L180 HydrophobicContact CD1-CD2 3.75Å; L133-L180 HydrophobicContact CD1-CG 4.44Å; L133-L180 HydrophobicContact CD2-CG 4.48Å; L133-Q181 HydrophobicContact CD2-CB 4.4Å; L133-L184 HydrophobicContact CD2-CD1 4.17Å |
| 134 | L | 82.5 | Confident | 81.2 | Confident | 23 Ų | 23 | 35 Ų | 35 | 12% | 0.12 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -54.9 | -31.9 | -178.1 | -175.6 | 65.3 | 0 | 0 | 0 | 112.4 | Y89 F93 L131 F136 T137 | Y89-L134 HydrophobicContact CD1-CD2 4.38Å; Y89-L134 HydrophobicContact CD1-CG 4.1Å; F93-L134 HydrophobicContact CD2-CD2 3.93Å; F93-L134 HydrophobicContact CE1-CD2 4.46Å; F93-L134 HydrophobicContact CE2-CD2 3.8Å; F93-L134 HydrophobicContact CG-CD2 4.29Å; F93-L134 HydrophobicContact CZ-CD2 4.08Å; L131-L134 HydrophobicContact CD1-CD2 4.23Å; L131-L134 VanDerWaalsContact O-CB 3.24Å; L131-L134 WeakPolarHBondContact O-CB 3.39Å; L131-L134 PolarHBondContact O-N 2.96Å; L134-F136 PolarHBondContact O-N 3.03Å; L134-F136 VanDerWaalsContact O-N 3.14Å; L134-T137 PolarHBondContact O-N 2.86Å; L134-T137 VanDerWaalsContact O-N 3.16Å; L134-T137 PolarHBondContact O-OG1 2.82Å |
| 135 | A | 76.2 | Confident | 80.3 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -58.5 | -20.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L133 F147 N148 | L133-A135 PolarHBondContact O-N 3.46Å; L133-A135 VanDerWaalsContact O-N 3.08Å; A135-F147 HydrophobicContact CB-CD1 4.44Å; A135-F147 HydrophobicContact CB-CE1 3.92Å; A135-N148 HydrophobicContact CB-CB 3.67Å; A135-N148 VanDerWaalsContact CB-CG 3.47Å; A135-N148 VanDerWaalsContact CB-ND2 3.27Å; A135-N148 WeakPolarHBondContact CB-ND2 3.28Å |
| 136 | F | 78.3 | Confident | 79.6 | Confident | 19 Ų | 19 | 35.4 Ų | 35.4 | 8% | 0.083 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -94.7 | -8.5 | 180 | -56.6 | -76 | 0 | 0 | 0 | 114.1 | L133 L134 N148 Q181 L184 A185 R188 Y189 | L133-F136 HydrophobicContact CB-CD2 4.44Å; L133-F136 HydrophobicContact CD2-CD2 4.34Å; L133-F136 HydrophobicContact CD2-CE2 4.18Å; L133-F136 WeakPolarHBondContact O-CD2 3.26Å; L133-F136 PolarHBondContact O-N 2.8Å; L134-F136 PolarHBondContact O-N 3.03Å; L134-F136 VanDerWaalsContact O-N 3.14Å; F136-N148 WeakPolarHBondContact CE1-ND2 3.45Å; F136-N148 WeakPolarHBondContact CZ-ND2 3.44Å; F136-Q181 HydrophobicContact CE2-CG 4.06Å; F136-Q181 HydrophobicContact CZ-CG 4.19Å; F136-Q181 WeakPolarHBondContact CZ-O 3.32Å; F136-L184 HydrophobicContact CD1-CB 3.74Å; F136-L184 HydrophobicContact CD2-CB 3.97Å; F136-L184 HydrophobicContact CD2-CD1 3.84Å; F136-L184 HydrophobicContact CE1-CB 3.67Å; F136-L184 HydrophobicContact CE2-CB 3.93Å; F136-L184 HydrophobicContact CE2-CD1 4.24Å; F136-L184 HydrophobicContact CG-CB 3.88Å; F136-L184 HydrophobicContact CG-CD1 4.18Å; F136-L184 HydrophobicContact CZ-CB 3.77Å; F136-A185 HydrophobicContact CE1-CB 4.17Å; F136-A185 HydrophobicContact CZ-CB 4.24Å; F136-R188 HydrophobicContact CD1-CB 4.41Å; F136-Y189 AromaticContact CD1-CE2 3.95Å; F136-Y189 HydrophobicContact CD1-CE2 3.95Å; F136-Y189 AromaticContact CE1-CE2 3.81Å; F136-Y189 HydrophobicContact CE1-CE2 3.81Å |
| 137 | T | 79.1 | Confident | 79.2 | Confident | 83 Ų | 83 | 28.8 Ų | 28.8 | 51% | 0.509 | 17% | 0.166 | S | C | . | . | trans | -75.3 | -33.6 | -172.2 | 61.1 | 0 | 0 | 0 | 0 | 117 | V88 L134 | V88-T137 WeakPolarHBondContact CG1-OG1 3.31Å; L134-T137 PolarHBondContact O-N 2.86Å; L134-T137 VanDerWaalsContact O-N 3.16Å; L134-T137 PolarHBondContact O-OG1 2.82Å | ||
| 138 | P | 76.5 | Confident | 78.7 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -74.5 | 156 | -179.4 | 30.3 | -34.8 | 0 | 0 | 0 | 112.4 | V88 Y89 E140 R188 | V88-P138 HydrophobicContact CG2-CB 4.36Å; Y89-P138 HydrophobicContact CE1-CG 4.03Å; P138-E140 VanDerWaalsContact C-N 3.3Å; P138-E140 WeakPolarHBondContact CB-O 3.26Å; P138-E140 WeakPolarHBondContact CG-O 3.28Å; P138-E140 PolarHBondContact O-N 3.31Å; P138-R188 PolarHBondContact O-NH2 3.46Å |
| 139 | P | 68.6 | Low | 78.4 | Confident | 111 Ų | 111 | 26 Ų | 26 | 72% | 0.721 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -65.8 | -33.9 | 178.1 | 26.2 | -33.9 | 0 | 0 | 0 | 112.2 | R188 | P139-R188 VanDerWaalsContact C-NH2 3.27Å; P139-R188 VanDerWaalsContact CA-NH2 3.35Å; P139-R188 PolarHBondContact O-NH2 3.45Å |
| 140 | E | 68.1 | Low | 78.3 | Confident | 124 Ų | 124 | 26.3 Ų | 26.3 | 58% | 0.579 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -119.1 | 142.6 | 173.2 | -63.6 | 178.2 | 164.7 | 0 | 0 | 110.2 | P138 G142 | P138-E140 VanDerWaalsContact C-N 3.3Å; P138-E140 WeakPolarHBondContact CB-O 3.26Å; P138-E140 WeakPolarHBondContact CG-O 3.28Å; P138-E140 PolarHBondContact O-N 3.31Å; E140-G142 PolarHBondContact O-N 3.05Å; E140-G142 VanDerWaalsContact O-N 3.1Å |
| 141 | P | 66.9 | Low | 78.3 | Confident | 26 Ų | 26 | 23.6 Ų | 23.6 | 17% | 0.169 | 14% | 0.139 | C | C | . | . | trans | -73.4 | 105.4 | -179 | 29.1 | -32.6 | 0 | 0 | 0 | 111.6 | A143 Y189 N1066 P1070 | P141-A143 VanDerWaalsContact C-N 3.3Å; P141-A143 PolarHBondContact O-N 3.37Å; P141-Y189 HydrophobicContact CB-CE1 3.94Å; P141-Y189 HydrophobicContact CG-CE1 4.24Å; P141-N1066 VanDerWaalsContact CG-O 3.31Å; P141-N1066 WeakPolarHBondContact CG-O 3.13Å; P141-P1070 HydrophobicContact CB-CG 4.09Å; P141-P1070 HydrophobicContact CG-CG 4.05Å; P141-P1070 WeakPolarHBondContact O-CG 3.09Å | ||
| 142 | G | 67.7 | Low | 78.4 | Confident | 21 Ų | 21 | 22.5 Ų | 22.5 | 22% | 0.216 | 13% | 0.133 | C | C | . | . | trans | -83.1 | 7.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | E140 | E140-G142 PolarHBondContact O-N 3.05Å; E140-G142 VanDerWaalsContact O-N 3.1Å | ||
| 143 | A | 74.9 | Confident | 78.5 | Confident | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -151.2 | 162.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | F78 Y89 P141 F147 P1070 | F78-A143 HydrophobicContact CE1-CB 3.87Å; F78-A143 HydrophobicContact CZ-CB 3.8Å; Y89-A143 HydrophobicContact CE2-CB 3.84Å; P141-A143 VanDerWaalsContact C-N 3.3Å; P141-A143 PolarHBondContact O-N 3.37Å; A143-F147 HydrophobicContact CB-CD1 3.61Å; A143-F147 HydrophobicContact CB-CE1 4.11Å; A143-F147 HydrophobicContact CB-CG 4.29Å; A143-P1070 WeakPolarHBondContact O-CB 3.42Å |
| 144 | T | 76.1 | Confident | 78.7 | Confident | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | trans | -75.7 | 162.1 | 177.7 | 95.1 | 0 | 0 | 0 | 0 | 111.9 | A146 F147 P1070 A1076 E1079 | T144-A146 PolarHBondContact O-N 3.42Å; T144-A146 WeakPolarHBondContact OG1-CB 3.24Å; T144-A146 PolarHBondContact OG1-N 3.05Å; T144-F147 PolarHBondContact O-N 3.31Å; T144-P1070 HydrophobicContact CG2-CB 4.26Å; T144-A1076 HydrophobicContact CG2-CB 4.02Å; T144-E1079 VanDerWaalsContact CB-OE1 3.31Å; T144-E1079 WeakPolarHBondContact CB-OE1 3.5Å; T144-E1079 WeakPolarHBondContact CG2-OE1 3.3Å; T144-E1079 PolarHBondContact N-OE2 2.99Å; T144-E1079 PolarHBondContact OG1-OE1 2.85Å | ||
| 145 | L | 74.5 | Confident | 79.1 | Confident | 9 Ų | 9 | 20.9 Ų | 20.9 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.2 | -9.3 | 174.2 | -147.8 | 74.4 | 0 | 0 | 0 | 113.3 | N148 L149 Y189 F196 F200 | L145-N148 HydrophobicContact CD1-CB 3.91Å; L145-N148 WeakPolarHBondContact CD1-ND2 3.34Å; L145-N148 HydrophobicContact CG-CB 4.19Å; L145-N148 WeakPolarHBondContact O-CB 3.43Å; L145-N148 PolarHBondContact O-N 3.48Å; L145-L149 PolarHBondContact O-N 3.18Å; L145-Y189 HydrophobicContact CD1-CD2 4.17Å; L145-Y189 HydrophobicContact CD1-CE1 4.44Å; L145-Y189 HydrophobicContact CD1-CE2 3.31Å; L145-Y189 VanDerWaalsContact CD1-CZ 3.47Å; L145-Y189 WeakPolarHBondContact CD1-OH 3.42Å; L145-F196 HydrophobicContact CB-CZ 4.45Å; L145-F196 HydrophobicContact CD2-CE1 3.33Å; L145-F196 HydrophobicContact CD2-CZ 3.33Å; L145-F196 HydrophobicContact CG-CZ 4.49Å; L145-F200 HydrophobicContact CD2-CD2 4.43Å; L145-F200 HydrophobicContact CD2-CE1 4.45Å; L145-F200 HydrophobicContact CD2-CE2 3.41Å; L145-F200 VanDerWaalsContact CD2-CE2 3.41Å; L145-F200 HydrophobicContact CD2-CZ 3.44Å; L145-F200 VanDerWaalsContact CD2-CZ 3.44Å; L145-F200 HydrophobicContact CG-CE2 4.05Å; L145-F200 HydrophobicContact CG-CZ 3.69Å |
| 146 | A | 76.6 | Confident | 79.8 | Confident | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -74.1 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T144 N148 S150 L983 Y1080 I1083 | T144-A146 PolarHBondContact O-N 3.42Å; T144-A146 WeakPolarHBondContact OG1-CB 3.24Å; T144-A146 PolarHBondContact OG1-N 3.05Å; A146-N148 VanDerWaalsContact C-N 3.35Å; A146-S150 WeakPolarHBondContact O-CB 3.47Å; A146-S150 PolarHBondContact O-N 2.88Å; A146-L983 HydrophobicContact CB-CB 4.46Å; A146-L983 HydrophobicContact CB-CD1 4.12Å; A146-L983 HydrophobicContact CB-CD2 3.73Å; A146-L983 HydrophobicContact CB-CG 4.32Å; A146-Y1080 HydrophobicContact CB-CE1 3.58Å; A146-Y1080 WeakPolarHBondContact CB-OH 3.37Å; A146-I1083 HydrophobicContact CB-CD1 4.21Å |
| 147 | F | 83.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55 | -49.9 | 165.3 | 151.3 | -103.2 | 0 | 0 | 0 | 111.4 | W74 F78 F93 A135 A143 T144 L149 S150 L151 E1079 | W74-F147 AromaticContact CD2-CD2 3.75Å; W74-F147 HydrophobicContact CD2-CD2 3.75Å; W74-F147 AromaticContact CD2-CE2 3.67Å; W74-F147 HydrophobicContact CD2-CE2 3.67Å; W74-F147 AromaticContact CE2-CD2 3.72Å; W74-F147 AromaticContact CE2-CE2 3.95Å; W74-F147 AromaticContact CE3-CD2 3.72Å; W74-F147 HydrophobicContact CE3-CD2 3.72Å; W74-F147 AromaticContact CE3-CE2 3.86Å; W74-F147 HydrophobicContact CE3-CE2 3.86Å; W74-F147 HydrophobicContact CG-CE2 4.03Å; W74-F147 HydrophobicContact CH2-CB 4.35Å; W74-F147 AromaticContact CH2-CD2 3.73Å; W74-F147 HydrophobicContact CH2-CD2 3.73Å; W74-F147 HydrophobicContact CH2-CG 4.49Å; W74-F147 AromaticContact CZ2-CD2 3.74Å; W74-F147 HydrophobicContact CZ2-CD2 3.74Å; W74-F147 HydrophobicContact CZ2-CE2 4.43Å; W74-F147 AromaticContact CZ3-CD2 3.71Å; W74-F147 HydrophobicContact CZ3-CD2 3.71Å; W74-F147 HydrophobicContact CZ3-CE2 4.33Å; W74-F147 HydrophobicContact CZ3-CG 4.5Å; F78-F147 HydrophobicContact CE2-CD2 4.33Å; F78-F147 HydrophobicContact CE2-CE1 4.29Å; F78-F147 AromaticContact CE2-CE2 3.73Å; F78-F147 HydrophobicContact CE2-CE2 3.73Å; F78-F147 AromaticContact CE2-CZ 3.7Å; F78-F147 HydrophobicContact CE2-CZ 3.7Å; F78-F147 HydrophobicContact CZ-CD1 4.32Å; F78-F147 HydrophobicContact CZ-CD2 4.33Å; F78-F147 HydrophobicContact CZ-CE1 4.05Å; F78-F147 HydrophobicContact CZ-CE2 4.07Å; F78-F147 HydrophobicContact CZ-CG 4.44Å; F78-F147 AromaticContact CZ-CZ 3.93Å; F78-F147 HydrophobicContact CZ-CZ 3.93Å; F93-F147 HydrophobicContact CE2-CE2 4.04Å; F93-F147 AromaticContact CE2-CZ 3.8Å; F93-F147 HydrophobicContact CE2-CZ 3.8Å; F93-F147 AromaticContact CZ-CE2 3.75Å; F93-F147 HydrophobicContact CZ-CE2 3.75Å; F93-F147 AromaticContact CZ-CZ 3.71Å; F93-F147 HydrophobicContact CZ-CZ 3.71Å; A135-F147 HydrophobicContact CB-CD1 4.44Å; A135-F147 HydrophobicContact CB-CE1 3.92Å; A143-F147 HydrophobicContact CB-CD1 3.61Å; A143-F147 HydrophobicContact CB-CE1 4.11Å; A143-F147 HydrophobicContact CB-CG 4.29Å; T144-F147 PolarHBondContact O-N 3.31Å; F147-L149 PolarHBondContact O-N 3.47Å; F147-S150 PolarHBondContact O-N 3.23Å; F147-L151 HydrophobicContact CE2-CB 4.47Å; F147-L151 HydrophobicContact CE2-CD2 3.92Å; F147-L151 HydrophobicContact CZ-CD2 3.91Å; F147-L151 VanDerWaalsContact O-CB 3.22Å; F147-L151 WeakPolarHBondContact O-CB 3.48Å; F147-L151 PolarHBondContact O-N 3.38Å; F147-E1079 HydrophobicContact CB-CG 3.91Å; F147-E1079 WeakPolarHBondContact CB-OE1 3.38Å; F147-E1079 PolarHBondContact N-OE1 3.36Å; F147-E1079 VanDerWaalsContact N-OE1 3.15Å |
| 148 | N | 82.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.2 | -54.4 | -179.5 | -178.5 | -31.1 | 0 | 0 | 0 | 111.5 | A135 F136 L145 A146 I152 Q181 | A135-N148 HydrophobicContact CB-CB 3.67Å; A135-N148 VanDerWaalsContact CB-CG 3.47Å; A135-N148 VanDerWaalsContact CB-ND2 3.27Å; A135-N148 WeakPolarHBondContact CB-ND2 3.28Å; F136-N148 WeakPolarHBondContact CE1-ND2 3.45Å; F136-N148 WeakPolarHBondContact CZ-ND2 3.44Å; L145-N148 HydrophobicContact CD1-CB 3.91Å; L145-N148 WeakPolarHBondContact CD1-ND2 3.34Å; L145-N148 HydrophobicContact CG-CB 4.19Å; L145-N148 WeakPolarHBondContact O-CB 3.43Å; L145-N148 PolarHBondContact O-N 3.48Å; A146-N148 VanDerWaalsContact C-N 3.35Å; N148-I152 PolarHBondContact O-N 3.15Å; N148-Q181 PolarHBondContact OD1-NE2 2.74Å |
| 149 | L | 81.4 | Confident | 81.6 | Confident | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.5 | -41.7 | 179.5 | -175.2 | 57.4 | 0 | 0 | 0 | 112.4 | L145 F147 L151 I152 L153 F200 L983 F984 | L145-L149 PolarHBondContact O-N 3.18Å; F147-L149 PolarHBondContact O-N 3.47Å; L149-L151 PolarHBondContact O-N 3.07Å; L149-I152 HydrophobicContact CD1-CG2 4.44Å; L149-I152 WeakPolarHBondContact O-CG2 3.31Å; L149-L153 HydrophobicContact CD1-CD1 3.74Å; L149-L153 HydrophobicContact CD1-CD2 4.28Å; L149-L153 HydrophobicContact CD1-CG 3.95Å; L149-L153 HydrophobicContact CG-CD1 3.71Å; L149-L153 HydrophobicContact CG-CG 4.34Å; L149-L153 WeakPolarHBondContact O-CD1 3.35Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 2.93Å; L149-F200 HydrophobicContact CB-CE1 4.19Å; L149-F200 HydrophobicContact CB-CE2 4.28Å; L149-F200 HydrophobicContact CB-CZ 3.72Å; L149-F200 HydrophobicContact CD1-CD1 4.15Å; L149-F200 HydrophobicContact CD1-CE1 3.94Å; L149-F200 HydrophobicContact CD1-CZ 4.19Å; L149-F200 HydrophobicContact CD2-CD2 4.28Å; L149-F200 HydrophobicContact CD2-CE2 3.98Å; L149-F200 HydrophobicContact CD2-CZ 4.18Å; L149-F200 HydrophobicContact CG-CE1 4.48Å; L149-F200 HydrophobicContact CG-CZ 4.24Å; L149-L983 HydrophobicContact CB-CD2 4.22Å; L149-L983 HydrophobicContact CD2-CD2 3.95Å; L149-L983 HydrophobicContact CG-CD2 4.42Å; L149-F984 HydrophobicContact CD2-CE2 4.09Å |
| 150 | S | 86 | Confident | 82.7 | Confident | 7 Ų | 7 | 10.9 Ų | 10.9 | 5% | 0.049 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.2 | -47 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 112.3 | A146 F147 L153 Q154 I1083 | A146-S150 WeakPolarHBondContact O-CB 3.47Å; A146-S150 PolarHBondContact O-N 2.88Å; F147-S150 PolarHBondContact O-N 3.23Å; S150-L153 PolarHBondContact O-N 2.84Å; S150-Q154 VanDerWaalsContact O-CG 3.31Å; S150-Q154 WeakPolarHBondContact O-CG 3.38Å; S150-Q154 PolarHBondContact O-N 2.83Å; S150-Q154 PolarHBondContact OG-NE2 3.21Å; S150-I1083 WeakPolarHBondContact OG-CG2 3.32Å |
| 151 | L | 87.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -57.5 | -53 | -177.9 | 178.8 | 66.2 | 0 | 0 | 0 | 111.6 | L70 F93 F147 L149 L153 Q154 L155 | L70-L151 HydrophobicContact CD1-CD1 4.41Å; L70-L151 HydrophobicContact CD2-CD1 4.1Å; L70-L151 HydrophobicContact CG-CD1 4.15Å; F93-L151 HydrophobicContact CE1-CD1 4.16Å; F93-L151 HydrophobicContact CE1-CD2 4.2Å; F93-L151 HydrophobicContact CZ-CD1 4.35Å; F93-L151 HydrophobicContact CZ-CD2 3.82Å; F147-L151 HydrophobicContact CE2-CB 4.47Å; F147-L151 HydrophobicContact CE2-CD2 3.92Å; F147-L151 HydrophobicContact CZ-CD2 3.91Å; F147-L151 VanDerWaalsContact O-CB 3.22Å; F147-L151 WeakPolarHBondContact O-CB 3.48Å; F147-L151 PolarHBondContact O-N 3.38Å; L149-L151 PolarHBondContact O-N 3.07Å; L151-L153 PolarHBondContact O-N 3.41Å; L151-Q154 PolarHBondContact O-N 3.4Å; L151-L155 HydrophobicContact CD1-CD1 3.87Å; L151-L155 HydrophobicContact CD1-CG 4.49Å; L151-L155 HydrophobicContact CG-CD1 3.79Å; L151-L155 WeakPolarHBondContact O-CD1 3.44Å; L151-L155 VanDerWaalsContact O-CG 3.24Å; L151-L155 WeakPolarHBondContact O-CG 3.39Å; L151-L155 PolarHBondContact O-N 2.86Å |
| 152 | I | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -65.9 | -39 | -178.4 | -174.2 | 60.8 | 0 | 0 | 0 | 112.2 | C129 N148 L149 Q154 L155 I156 V177 Q181 | C129-I152 WeakPolarHBondContact O-CD1 3.33Å; N148-I152 PolarHBondContact O-N 3.15Å; L149-I152 HydrophobicContact CD1-CG2 4.44Å; L149-I152 WeakPolarHBondContact O-CG2 3.31Å; I152-Q154 PolarHBondContact O-N 3.32Å; I152-L155 PolarHBondContact O-N 2.81Å; I152-I156 HydrophobicContact CD1-CD1 4.02Å; I152-I156 HydrophobicContact CD1-CG1 3.99Å; I152-I156 HydrophobicContact CG1-CD1 3.72Å; I152-I156 HydrophobicContact CG1-CG1 4.15Å; I152-I156 WeakPolarHBondContact O-CB 3.36Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.33Å; I152-I156 PolarHBondContact O-N 3.24Å; I152-V177 HydrophobicContact CD1-CG1 3.78Å; I152-Q181 VanDerWaalsContact CG1-OE1 3.28Å; I152-Q181 HydrophobicContact CG2-CG 4.09Å |
| 153 | L | 87.5 | Confident | 85.8 | Confident | 10 Ų | 10 | 3.6 Ų | 3.6 | 5% | 0.052 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | -180 | -63 | 172.5 | 0 | 0 | 0 | 111.3 | L149 S150 L151 L157 G203 V207 M987 | L149-L153 HydrophobicContact CD1-CD1 3.74Å; L149-L153 HydrophobicContact CD1-CD2 4.28Å; L149-L153 HydrophobicContact CD1-CG 3.95Å; L149-L153 HydrophobicContact CG-CD1 3.71Å; L149-L153 HydrophobicContact CG-CG 4.34Å; L149-L153 WeakPolarHBondContact O-CD1 3.35Å; L149-L153 WeakPolarHBondContact O-CG 3.48Å; L149-L153 PolarHBondContact O-N 2.93Å; S150-L153 PolarHBondContact O-N 2.84Å; L151-L153 PolarHBondContact O-N 3.41Å; L153-L157 VanDerWaalsContact O-CB 3.3Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 PolarHBondContact O-N 3.32Å; L153-G203 WeakPolarHBondContact CD2-O 3.43Å; L153-V207 HydrophobicContact CD2-CB 3.91Å; L153-V207 HydrophobicContact CD2-CG1 3.38Å; L153-M987 HydrophobicContact CD1-CG 3.85Å; L153-M987 HydrophobicContact CD1-SD 3.45Å; L153-M987 WeakPolarHBondContact CD1-SD 3.35Å |
| 154 | Q | 88.9 | Confident | 86.4 | Confident | 5 Ų | 5 | 5.1 Ų | 5.1 | 2% | 0.023 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 172.9 | -70.6 | 176 | 0.5 | 0 | 0 | 111.6 | L70 S150 L151 I152 L157 I158 T1087 L1090 | L70-Q154 HydrophobicContact CD2-CB 4.14Å; S150-Q154 VanDerWaalsContact O-CG 3.31Å; S150-Q154 WeakPolarHBondContact O-CG 3.38Å; S150-Q154 PolarHBondContact O-N 2.83Å; S150-Q154 PolarHBondContact OG-NE2 3.21Å; L151-Q154 PolarHBondContact O-N 3.4Å; I152-Q154 PolarHBondContact O-N 3.32Å; Q154-L157 PolarHBondContact O-N 3.36Å; Q154-I158 VanDerWaalsContact O-CG1 3.29Å; Q154-I158 WeakPolarHBondContact O-CG1 3.49Å; Q154-I158 PolarHBondContact O-N 3.27Å; Q154-T1087 PolarHBondContact NE2-OG1 3.41Å; Q154-L1090 HydrophobicContact CB-CD2 3.88Å; Q154-L1090 HydrophobicContact CG-CD2 3.91Å |
| 155 | L | 91.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 5.1 Ų | 5.1 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 178.9 | -70.4 | 161.7 | 0 | 0 | 0 | 112.9 | T67 L70 S128 L131 L151 I152 T159 | T67-L155 HydrophobicContact CG2-CD2 4.06Å; L70-L155 HydrophobicContact CD2-CD2 3.91Å; L70-L155 HydrophobicContact CD2-CG 3.99Å; S128-L155 WeakPolarHBondContact O-CD1 3.35Å; L131-L155 HydrophobicContact CB-CD1 4.42Å; L151-L155 HydrophobicContact CD1-CD1 3.87Å; L151-L155 HydrophobicContact CD1-CG 4.49Å; L151-L155 HydrophobicContact CG-CD1 3.79Å; L151-L155 WeakPolarHBondContact O-CD1 3.44Å; L151-L155 VanDerWaalsContact O-CG 3.24Å; L151-L155 WeakPolarHBondContact O-CG 3.39Å; L151-L155 PolarHBondContact O-N 2.86Å; I152-L155 PolarHBondContact O-N 2.81Å; L155-T159 WeakPolarHBondContact O-CB 3.43Å; L155-T159 PolarHBondContact O-N 3.1Å; L155-T159 PolarHBondContact O-OG1 3.18Å |
| 156 | I | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.3 | -44.4 | 173.7 | -70.8 | 173.7 | 0 | 0 | 0 | 110.3 | I152 T159 Y160 C174 S178 V207 | I152-I156 HydrophobicContact CD1-CD1 4.02Å; I152-I156 HydrophobicContact CD1-CG1 3.99Å; I152-I156 HydrophobicContact CG1-CD1 3.72Å; I152-I156 HydrophobicContact CG1-CG1 4.15Å; I152-I156 WeakPolarHBondContact O-CB 3.36Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.33Å; I152-I156 PolarHBondContact O-N 3.24Å; I156-T159 WeakPolarHBondContact O-CB 3.22Å; I156-T159 PolarHBondContact O-N 2.63Å; I156-T159 VanDerWaalsContact O-N 3.13Å; I156-Y160 HydrophobicContact CG2-CD2 3.67Å; I156-Y160 HydrophobicContact CG2-CE2 3.78Å; I156-Y160 WeakPolarHBondContact O-CD2 3.46Å; I156-Y160 PolarHBondContact O-N 3.35Å; I156-C174 HydrophobicContact CG1-CB 4.25Å; I156-C174 HydrophobicContact CG2-CB 4.25Å; I156-S178 VanDerWaalsContact CD1-OG 3.24Å; I156-S178 WeakPolarHBondContact CD1-OG 3.26Å; I156-V207 HydrophobicContact CB-CG1 4.3Å; I156-V207 HydrophobicContact CG2-CG1 3.84Å; I156-V207 HydrophobicContact CG2-CG2 4.34Å |
| 157 | L | 88.7 | Confident | 88.7 | Confident | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | -179.2 | -175.1 | 61.8 | 0 | 0 | 0 | 112.7 | L153 Q154 T159 T161 V207 I210 L214 N990 L993 L1090 L1094 | L153-L157 VanDerWaalsContact O-CB 3.3Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 PolarHBondContact O-N 3.32Å; Q154-L157 PolarHBondContact O-N 3.36Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 PolarHBondContact O-N 2.96Å; L157-T161 HydrophobicContact CD1-CG2 4.13Å; L157-T161 WeakPolarHBondContact O-CB 3.44Å; L157-T161 WeakPolarHBondContact O-CG2 3.3Å; L157-T161 PolarHBondContact O-N 2.97Å; L157-T161 PolarHBondContact O-OG1 3.38Å; L157-V207 HydrophobicContact CB-CG2 3.86Å; L157-V207 HydrophobicContact CD1-CG2 4.3Å; L157-I210 HydrophobicContact CD1-CG2 4.38Å; L157-L214 HydrophobicContact CD1-CD1 4.47Å; L157-N990 HydrophobicContact CD2-CB 3.88Å; L157-N990 WeakPolarHBondContact CD2-OD1 3.19Å; L157-L993 HydrophobicContact CD1-CD1 3.97Å; L157-L993 HydrophobicContact CD2-CD1 4.02Å; L157-L993 HydrophobicContact CG-CD1 4.42Å; L157-L1090 HydrophobicContact CD2-CD2 4.29Å; L157-L1094 HydrophobicContact CD2-CD1 4.09Å; L157-L1094 HydrophobicContact CG-CD1 3.98Å |
| 158 | I | 91.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -56.7 | -45.1 | 170.4 | -68.1 | 162.7 | 0 | 0 | 0 | 109.8 | A63 L66 L70 Q154 T161 M162 L1090 | A63-I158 HydrophobicContact CB-CG2 4.09Å; L66-I158 HydrophobicContact CB-CD1 3.98Å; L66-I158 HydrophobicContact CB-CG1 4.32Å; L66-I158 HydrophobicContact CB-CG2 4.42Å; L66-I158 HydrophobicContact CD1-CG1 4.39Å; L70-I158 HydrophobicContact CD2-CD1 4.43Å; Q154-I158 VanDerWaalsContact O-CG1 3.29Å; Q154-I158 WeakPolarHBondContact O-CG1 3.49Å; Q154-I158 PolarHBondContact O-N 3.27Å; I158-T161 PolarHBondContact O-N 3.43Å; I158-T161 PolarHBondContact O-OG1 3.1Å; I158-M162 WeakPolarHBondContact O-CB 3.22Å; I158-M162 PolarHBondContact O-N 2.88Å; I158-L1090 HydrophobicContact CD1-CD1 4.03Å; I158-L1090 HydrophobicContact CD1-CD2 4.46Å; I158-L1090 HydrophobicContact CG1-CD1 3.52Å; I158-L1090 HydrophobicContact CG1-CD2 4.22Å |
| 159 | T | 92.2 | Very high | 89.7 | Confident | 5 Ų | 5 | 16.2 Ų | 16.2 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.1 | -49.1 | -177.8 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | A125 L155 I156 L157 T161 A163 L170 | A125-T159 HydrophobicContact CB-CG2 3.63Å; L155-T159 WeakPolarHBondContact O-CB 3.43Å; L155-T159 PolarHBondContact O-N 3.1Å; L155-T159 PolarHBondContact O-OG1 3.18Å; I156-T159 WeakPolarHBondContact O-CB 3.22Å; I156-T159 PolarHBondContact O-N 2.63Å; I156-T159 VanDerWaalsContact O-N 3.13Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 PolarHBondContact O-N 2.96Å; T159-T161 VanDerWaalsContact C-N 3.33Å; T159-T161 PolarHBondContact O-N 3.07Å; T159-A163 HydrophobicContact CG2-CB 4.38Å; T159-A163 WeakPolarHBondContact O-CB 3.45Å; T159-A163 PolarHBondContact O-N 3.49Å; T159-A163 VanDerWaalsContact O-N 3.17Å; T159-L170 HydrophobicContact CG2-CD2 3.78Å |
| 160 | Y | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -37.5 | 178.2 | -91.2 | -88.7 | 0 | 0 | 0 | 113.6 | I156 L167 L170 L171 C174 H208 I212 H215 | I156-Y160 HydrophobicContact CG2-CD2 3.67Å; I156-Y160 HydrophobicContact CG2-CE2 3.78Å; I156-Y160 WeakPolarHBondContact O-CD2 3.46Å; I156-Y160 PolarHBondContact O-N 3.35Å; Y160-L167 HydrophobicContact CD1-CD1 4.45Å; Y160-L167 HydrophobicContact CE1-CD1 4.04Å; Y160-L170 HydrophobicContact CD1-CB 4.21Å; Y160-L170 HydrophobicContact CD1-CD1 4.13Å; Y160-L170 HydrophobicContact CE1-CB 3.85Å; Y160-L170 HydrophobicContact CE1-CD1 4.5Å; Y160-L170 PolarHBondContact OH-O 3.17Å; Y160-L171 WeakPolarHBondContact OH-CD2 3.34Å; Y160-C174 HydrophobicContact CE2-CB 3.77Å; Y160-H208 AromaticContact CE2-CE1 3.94Å; Y160-H208 AromaticContact CE2-ND1 3.55Å; Y160-H208 AromaticContact CZ-ND1 3.58Å; Y160-H208 PolarHBondContact OH-ND1 3.14Å; Y160-H208 VanDerWaalsContact OH-ND1 3.13Å; Y160-I212 HydrophobicContact CE1-CG1 3.85Å; Y160-H215 PolarHBondContact O-ND1 3.24Å |
| 161 | T | 87.6 | Confident | 90.6 | Very high | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.043 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -88 | -32.8 | -171.2 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | L157 I158 T159 L214 L1094 F1098 | L157-T161 HydrophobicContact CD1-CG2 4.13Å; L157-T161 WeakPolarHBondContact O-CB 3.44Å; L157-T161 WeakPolarHBondContact O-CG2 3.3Å; L157-T161 PolarHBondContact O-N 2.97Å; L157-T161 PolarHBondContact O-OG1 3.38Å; I158-T161 PolarHBondContact O-N 3.43Å; I158-T161 PolarHBondContact O-OG1 3.1Å; T159-T161 VanDerWaalsContact C-N 3.33Å; T159-T161 PolarHBondContact O-N 3.07Å; T161-L214 HydrophobicContact CG2-CB 4.26Å; T161-L214 HydrophobicContact CG2-CD1 3.96Å; T161-L1094 WeakPolarHBondContact OG1-CD2 3.47Å; T161-F1098 HydrophobicContact CG2-CE2 4.05Å; T161-F1098 HydrophobicContact CG2-CZ 3.84Å |
| 162 | M | 89.5 | Confident | 90.9 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -120.1 | -17.7 | -170.3 | -62.5 | -60.7 | 152.1 | 0 | 0 | 115.6 | R59 F62 A63 I158 P164 L1094 E1097 | R59-M162 CarbonylContact C-O 3.47Å; R59-M162 HydrophobicContact CB-SD 4.31Å; R59-M162 HydrophobicContact CG-SD 4.23Å; F62-M162 HydrophobicContact CD1-CE 4.42Å; F62-M162 HydrophobicContact CD1-CG 4.03Å; F62-M162 HydrophobicContact CD1-SD 3.87Å; F62-M162 HydrophobicContact CE1-CE 4.46Å; F62-M162 HydrophobicContact CE1-SD 4.47Å; A63-M162 HydrophobicContact CB-CB 3.76Å; I158-M162 WeakPolarHBondContact O-CB 3.22Å; I158-M162 PolarHBondContact O-N 2.88Å; M162-P164 WeakPolarHBondContact O-CD 3.37Å; M162-L1094 HydrophobicContact CE-CD2 3.5Å; M162-L1094 VanDerWaalsContact CE-CD2 3.5Å; M162-L1094 HydrophobicContact CG-CD2 4.08Å; M162-E1097 HydrophobicContact CE-CB 4.13Å; M162-E1097 HydrophobicContact CE-CG 3.64Å; M162-E1097 HydrophobicContact SD-CG 4.32Å |
| 163 | A | 89.7 | Confident | 91.1 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -73.3 | 127.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T159 L165 L170 | T159-A163 HydrophobicContact CG2-CB 4.38Å; T159-A163 WeakPolarHBondContact O-CB 3.45Å; T159-A163 PolarHBondContact O-N 3.49Å; T159-A163 VanDerWaalsContact O-N 3.17Å; A163-L165 HydrophobicContact CB-CD1 4.14Å; A163-L165 HydrophobicContact CB-CG 4.26Å; A163-L165 PolarHBondContact O-N 3.22Å; A163-L170 HydrophobicContact CB-CD2 4.28Å |
| 164 | P | 89.1 | Confident | 91.3 | Very high | 38 Ų | 38 | 24 Ų | 24 | 25% | 0.247 | 12% | 0.118 | C | C | . | . | trans | -80.4 | 56.2 | -176.5 | 34.5 | -37.8 | 0 | 0 | 0 | 112.4 | F60 S121 M162 | F60-P164 HydrophobicContact CB-CG 4.36Å; S121-P164 WeakPolarHBondContact OG-CG 3.31Å; M162-P164 WeakPolarHBondContact O-CD 3.37Å | ||
| 165 | L | 91.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.026 | 13% | 0.127 | C | C | . | . | trans | -110.1 | 169.4 | -177.4 | -63 | 175.6 | 0 | 0 | 0 | 111.5 | I118 A125 A163 Q169 L170 I173 H215 Q219 | I118-L165 HydrophobicContact CG2-CD2 4.04Å; A125-L165 HydrophobicContact CB-CD1 4.12Å; A163-L165 HydrophobicContact CB-CD1 4.14Å; A163-L165 HydrophobicContact CB-CG 4.26Å; A163-L165 PolarHBondContact O-N 3.22Å; L165-Q169 HydrophobicContact CB-CB 4.27Å; L165-L170 HydrophobicContact CB-CD2 4.09Å; L165-L170 HydrophobicContact CB-CG 4.05Å; L165-L170 HydrophobicContact CD1-CD2 4.02Å; L165-I173 HydrophobicContact CD1-CD1 3.88Å; L165-H215 PolarHBondContact O-CE1 3.24Å; L165-H215 PolarHBondContact O-NE2 3.48Å; L165-Q219 PolarHBondContact O-NE2 2.92Å | ||
| 166 | R | 91 | Very high | 91.5 | Very high | 97 Ų | 97 | 28.4 Ų | 28.4 | 37% | 0.366 | 15% | 0.15 | S | C | . | . | trans | -83.5 | 154.1 | 171.2 | -67.3 | 168.5 | 166.2 | 173.5 | -1.6 | 110.6 | N36 W168 Q169 L170 | N36-R166 VanDerWaalsContact OD1-CD 3.24Å; N36-R166 WeakPolarHBondContact OD1-CD 3.39Å; N36-R166 PolarHBondContact OD1-NE 2.79Å; R166-W168 VanDerWaalsContact C-N 3.32Å; R166-W168 PolarHBondContact O-N 3.41Å; R166-Q169 HydrophobicContact CB-CG 4.19Å; R166-Q169 WeakPolarHBondContact O-CB 3.41Å; R166-Q169 PolarHBondContact O-N 3.43Å; R166-L170 PolarHBondContact O-N 2.9Å; R166-L170 VanDerWaalsContact O-N 3.12Å | ||
| 167 | L | 92.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 28.7 Ų | 28.7 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58 | -41.5 | -175.6 | -172.4 | 65 | 0 | 0 | 0 | 113 | I34 L35 Y160 Q169 L170 L171 I212 H215 L216 | I34-L167 HydrophobicContact CG2-CD2 4Å; I34-L167 WeakPolarHBondContact O-CD2 3.43Å; L35-L167 HydrophobicContact CD2-CD2 4.46Å; Y160-L167 HydrophobicContact CD1-CD1 4.45Å; Y160-L167 HydrophobicContact CE1-CD1 4.04Å; L167-Q169 VanDerWaalsContact C-N 3.28Å; L167-Q169 PolarHBondContact O-N 2.88Å; L167-L170 PolarHBondContact O-N 3.07Å; L167-L171 HydrophobicContact CG-CD1 4.12Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.07Å; L167-I212 HydrophobicContact CD1-CG1 4.17Å; L167-I212 HydrophobicContact CD1-CG2 4.37Å; L167-I212 HydrophobicContact CD2-CG2 4.18Å; L167-H215 HydrophobicContact CD1-CB 4.49Å; L167-L216 HydrophobicContact CD2-CD1 4.45Å; L167-L216 HydrophobicContact CD2-CD2 3.99Å; L167-L216 HydrophobicContact CD2-CG 4.22Å |
| 168 | W | 92.5 | Very high | 91.7 | Very high | 109 Ų | 109 | 28.9 Ų | 28.9 | 41% | 0.413 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.9 | -33.6 | 175.2 | 70.9 | -99 | 0 | 0 | 0 | 113.4 | L35 R166 L171 V172 | L35-W168 HydrophobicContact CB-CB 4.38Å; L35-W168 PolarHBondContact O-N 3.41Å; R166-W168 VanDerWaalsContact C-N 3.32Å; R166-W168 PolarHBondContact O-N 3.41Å; W168-L171 PolarHBondContact O-N 3.04Å; W168-V172 HydrophobicContact CE3-CG2 4.5Å; W168-V172 WeakPolarHBondContact O-CB 3.35Å; W168-V172 VanDerWaalsContact O-CG2 3.29Å; W168-V172 WeakPolarHBondContact O-CG2 3.06Å; W168-V172 PolarHBondContact O-N 2.86Å |
| 169 | Q | 94.3 | Very high | 91.6 | Very high | 34 Ų | 34 | 33.1 Ų | 33.1 | 16% | 0.159 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.2 | -40.4 | 177.4 | -60 | 175.7 | -56.1 | 0 | 0 | 110.8 | L165 R166 L167 V172 I173 | L165-Q169 HydrophobicContact CB-CB 4.27Å; R166-Q169 HydrophobicContact CB-CG 4.19Å; R166-Q169 WeakPolarHBondContact O-CB 3.41Å; R166-Q169 PolarHBondContact O-N 3.43Å; L167-Q169 VanDerWaalsContact C-N 3.28Å; L167-Q169 PolarHBondContact O-N 2.88Å; Q169-V172 PolarHBondContact O-N 2.98Å; Q169-I173 WeakPolarHBondContact O-CB 3.2Å; Q169-I173 VanDerWaalsContact O-CG1 3.28Å; Q169-I173 WeakPolarHBondContact O-CG1 3.38Å; Q169-I173 PolarHBondContact O-N 2.92Å |
| 170 | L | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -37 | 175.3 | -66.4 | 167.8 | 0 | 0 | 0 | 112.4 | T159 Y160 A163 L165 R166 L167 C174 H215 | T159-L170 HydrophobicContact CG2-CD2 3.78Å; Y160-L170 HydrophobicContact CD1-CB 4.21Å; Y160-L170 HydrophobicContact CD1-CD1 4.13Å; Y160-L170 HydrophobicContact CE1-CB 3.85Å; Y160-L170 HydrophobicContact CE1-CD1 4.5Å; Y160-L170 PolarHBondContact OH-O 3.17Å; A163-L170 HydrophobicContact CB-CD2 4.28Å; L165-L170 HydrophobicContact CB-CD2 4.09Å; L165-L170 HydrophobicContact CB-CG 4.05Å; L165-L170 HydrophobicContact CD1-CD2 4.02Å; R166-L170 PolarHBondContact O-N 2.9Å; R166-L170 VanDerWaalsContact O-N 3.12Å; L167-L170 PolarHBondContact O-N 3.07Å; L170-C174 WeakPolarHBondContact O-CB 3.22Å; L170-C174 PolarHBondContact O-N 2.73Å; L170-H215 WeakPolarHBondContact CD1-CE1 3.41Å; L170-H215 VanDerWaalsContact CD1-ND1 3.29Å; L170-H215 WeakPolarHBondContact CD1-ND1 3.26Å |
| 171 | L | 93.7 | Very high | 91.3 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.4 | -44.6 | 173.7 | -73 | 163.2 | 0 | 0 | 0 | 111.7 | L35 Y160 L167 W168 I173 G175 I212 | L35-L171 HydrophobicContact CD2-CD1 3.64Å; Y160-L171 WeakPolarHBondContact OH-CD2 3.34Å; L167-L171 HydrophobicContact CG-CD1 4.12Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 3.07Å; W168-L171 PolarHBondContact O-N 3.04Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 3.2Å; L171-G175 WeakPolarHBondContact O-CA 3.31Å; L171-G175 PolarHBondContact O-N 3.39Å; L171-I212 HydrophobicContact CD2-CD1 4.21Å |
| 172 | V | 93.1 | Very high | 91.2 | Very high | 98 Ų | 98 | 37.7 Ų | 37.7 | 59% | 0.594 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67.3 | -28.9 | 177.2 | 169.2 | 0 | 0 | 0 | 0 | 112.8 | W168 Q169 P176 | W168-V172 HydrophobicContact CE3-CG2 4.5Å; W168-V172 WeakPolarHBondContact O-CB 3.35Å; W168-V172 VanDerWaalsContact O-CG2 3.29Å; W168-V172 WeakPolarHBondContact O-CG2 3.06Å; W168-V172 PolarHBondContact O-N 2.86Å; Q169-V172 PolarHBondContact O-N 2.98Å; V172-P176 WeakPolarHBondContact O-CD 3.47Å; V172-P176 VanDerWaalsContact O-CG 3.29Å; V172-P176 WeakPolarHBondContact O-CG 3.35Å |
| 173 | I | 92.1 | Very high | 91.1 | Very high | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -82.5 | -56.8 | 176.5 | -68.9 | 166 | 0 | 0 | 0 | 111.4 | A125 W126 L165 Q169 L171 V177 | A125-I173 HydrophobicContact CB-CD1 4.17Å; A125-I173 HydrophobicContact CB-CG2 4.2Å; W126-I173 HydrophobicContact CB-CG2 4.14Å; L165-I173 HydrophobicContact CD1-CD1 3.88Å; Q169-I173 WeakPolarHBondContact O-CB 3.2Å; Q169-I173 VanDerWaalsContact O-CG1 3.28Å; Q169-I173 WeakPolarHBondContact O-CG1 3.38Å; Q169-I173 PolarHBondContact O-N 2.92Å; L171-I173 VanDerWaalsContact C-N 3.32Å; L171-I173 PolarHBondContact O-N 3.2Å; I173-V177 WeakPolarHBondContact O-CG2 3.46Å |
| 174 | C | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -81 | -28.5 | -171.4 | -60.5 | 0 | 0 | 0 | 0 | 113.3 | I156 Y160 L170 V177 S178 | I156-C174 HydrophobicContact CG1-CB 4.25Å; I156-C174 HydrophobicContact CG2-CB 4.25Å; Y160-C174 HydrophobicContact CE2-CB 3.77Å; L170-C174 WeakPolarHBondContact O-CB 3.22Å; L170-C174 PolarHBondContact O-N 2.73Å; C174-V177 PolarHBondContact O-N 3.49Å; C174-S178 WeakPolarHBondContact O-CB 3.4Å; C174-S178 PolarHBondContact O-N 3.07Å; C174-S178 PolarHBondContact O-OG 3.18Å |
| 175 | G | 92 | Very high | 90.3 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 21% | 0.206 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -54.1 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | L171 V177 S178 V179 | L171-G175 WeakPolarHBondContact O-CA 3.31Å; L171-G175 PolarHBondContact O-N 3.39Å; G175-V177 VanDerWaalsContact C-N 3.31Å; G175-V177 PolarHBondContact O-N 3.31Å; G175-S178 WeakPolarHBondContact O-CB 3.47Å; G175-S178 PolarHBondContact O-N 3.07Å; G175-V179 WeakPolarHBondContact O-CG2 3.45Å; G175-V179 PolarHBondContact O-N 2.97Å |
| 176 | P | 93.1 | Very high | 89.7 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 51% | 0.506 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.2 | -36.2 | 176.9 | -26.7 | 37.3 | 0 | 0 | 0 | 113.4 | V172 V179 L180 | V172-P176 WeakPolarHBondContact O-CD 3.47Å; V172-P176 VanDerWaalsContact O-CG 3.29Å; V172-P176 WeakPolarHBondContact O-CG 3.35Å; P176-V179 PolarHBondContact O-N 3.09Å; P176-L180 VanDerWaalsContact O-CB 3.3Å; P176-L180 WeakPolarHBondContact O-CB 3.49Å; P176-L180 PolarHBondContact O-N 3.5Å |
| 177 | V | 90.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -44.7 | 174.9 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | C129 L130 L133 I152 I173 C174 G175 V179 L180 Q181 | C129-V177 HydrophobicContact CB-CB 4.36Å; C129-V177 HydrophobicContact CB-CG1 4.15Å; C129-V177 HydrophobicContact CB-CG2 4.07Å; L130-V177 HydrophobicContact CD2-CG2 4.48Å; L133-V177 HydrophobicContact CD2-CG1 4.44Å; I152-V177 HydrophobicContact CD1-CG1 3.78Å; I173-V177 WeakPolarHBondContact O-CG2 3.46Å; C174-V177 PolarHBondContact O-N 3.49Å; G175-V177 VanDerWaalsContact C-N 3.31Å; G175-V177 PolarHBondContact O-N 3.31Å; V177-V179 PolarHBondContact O-N 2.82Å; V177-L180 PolarHBondContact O-N 3.17Å; V177-Q181 WeakPolarHBondContact O-CB 3.49Å; V177-Q181 PolarHBondContact O-N 3.28Å |
| 178 | S | 91.6 | Very high | 88.1 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.8 | -45.6 | 173.5 | -70.5 | 0 | 0 | 0 | 0 | 112.7 | I156 C174 G175 Q181 I182 H204 H208 | I156-S178 VanDerWaalsContact CD1-OG 3.24Å; I156-S178 WeakPolarHBondContact CD1-OG 3.26Å; C174-S178 WeakPolarHBondContact O-CB 3.4Å; C174-S178 PolarHBondContact O-N 3.07Å; C174-S178 PolarHBondContact O-OG 3.18Å; G175-S178 WeakPolarHBondContact O-CB 3.47Å; G175-S178 PolarHBondContact O-N 3.07Å; S178-Q181 PolarHBondContact O-N 3.04Å; S178-I182 WeakPolarHBondContact O-CD1 3.42Å; S178-I182 VanDerWaalsContact O-CG1 3.27Å; S178-I182 WeakPolarHBondContact O-CG1 3.5Å; S178-I182 PolarHBondContact O-N 2.88Å; S178-I182 VanDerWaalsContact O-N 3.12Å; S178-H204 WeakPolarHBondContact CB-ND1 3.37Å; S178-H204 PolarHBondContact OG-ND1 3.2Å; S178-H208 PolarHBondContact OG-NE2 3.39Å |
| 179 | V | 90.6 | Very high | 86.7 | Confident | 93 Ų | 93 | 44.5 Ų | 44.5 | 56% | 0.564 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -64.3 | -45.1 | 177.9 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | G175 P176 V177 Q181 I182 V183 | G175-V179 WeakPolarHBondContact O-CG2 3.45Å; G175-V179 PolarHBondContact O-N 2.97Å; P176-V179 PolarHBondContact O-N 3.09Å; V177-V179 PolarHBondContact O-N 2.82Å; V179-Q181 VanDerWaalsContact C-N 3.33Å; V179-Q181 PolarHBondContact O-N 2.88Å; V179-I182 PolarHBondContact O-N 3.09Å; V179-V183 HydrophobicContact CG1-CG2 4.47Å; V179-V183 WeakPolarHBondContact O-CG2 3.4Å; V179-V183 PolarHBondContact O-N 3.18Å |
| 180 | L | 89.8 | Confident | 85.2 | Confident | 76 Ų | 76 | 45.3 Ų | 45.3 | 40% | 0.398 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 177.3 | -178.3 | 58.7 | 0 | 0 | 0 | 112 | L133 P176 V177 I182 V183 L184 | L133-L180 HydrophobicContact CD1-CD2 3.75Å; L133-L180 HydrophobicContact CD1-CG 4.44Å; L133-L180 HydrophobicContact CD2-CG 4.48Å; P176-L180 VanDerWaalsContact O-CB 3.3Å; P176-L180 WeakPolarHBondContact O-CB 3.49Å; P176-L180 PolarHBondContact O-N 3.5Å; V177-L180 PolarHBondContact O-N 3.17Å; L180-I182 PolarHBondContact O-N 3.42Å; L180-V183 PolarHBondContact O-N 3.1Å; L180-L184 HydrophobicContact CD1-CD1 3.97Å; L180-L184 HydrophobicContact CD1-CG 4.02Å; L180-L184 HydrophobicContact CG-CD1 3.9Å; L180-L184 HydrophobicContact CG-CG 4.38Å; L180-L184 WeakPolarHBondContact O-CB 3.44Å; L180-L184 VanDerWaalsContact O-CG 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.1Å |
| 181 | Q | 87.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.2 | -159.7 | 106.1 | 15.7 | 0 | 0 | 111.5 | G132 L133 F136 N148 I152 V177 S178 V179 A185 | G132-Q181 PolarHBondContact O-NE2 3.14Å; L133-Q181 HydrophobicContact CD2-CB 4.4Å; F136-Q181 HydrophobicContact CE2-CG 4.06Å; F136-Q181 HydrophobicContact CZ-CG 4.19Å; F136-Q181 WeakPolarHBondContact CZ-O 3.32Å; N148-Q181 PolarHBondContact OD1-NE2 2.74Å; I152-Q181 VanDerWaalsContact CG1-OE1 3.28Å; I152-Q181 HydrophobicContact CG2-CG 4.09Å; V177-Q181 WeakPolarHBondContact O-CB 3.49Å; V177-Q181 PolarHBondContact O-N 3.28Å; S178-Q181 PolarHBondContact O-N 3.04Å; V179-Q181 VanDerWaalsContact C-N 3.33Å; V179-Q181 PolarHBondContact O-N 2.88Å; Q181-A185 VanDerWaalsContact O-CB 3.24Å; Q181-A185 WeakPolarHBondContact O-CB 3.39Å; Q181-A185 PolarHBondContact O-N 3Å |
| 182 | I | 86 | Confident | 82.3 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 178.2 | -63.8 | 163.3 | 0 | 0 | 0 | 111 | S178 V179 L180 A185 S186 I197 F200 H204 | S178-I182 WeakPolarHBondContact O-CD1 3.42Å; S178-I182 VanDerWaalsContact O-CG1 3.27Å; S178-I182 WeakPolarHBondContact O-CG1 3.5Å; S178-I182 PolarHBondContact O-N 2.88Å; S178-I182 VanDerWaalsContact O-N 3.12Å; V179-I182 PolarHBondContact O-N 3.09Å; L180-I182 PolarHBondContact O-N 3.42Å; I182-A185 PolarHBondContact O-N 2.99Å; I182-S186 PolarHBondContact O-N 3.31Å; I182-S186 VanDerWaalsContact O-N 3.07Å; I182-S186 PolarHBondContact O-OG 3.12Å; I182-I197 HydrophobicContact CG2-CG2 4.2Å; I182-F200 HydrophobicContact CG1-CB 4.31Å; I182-H204 HydrophobicContact CD1-CB 4.29Å |
| 183 | V | 86.6 | Confident | 81.1 | Confident | 74 Ų | 74 | 52.4 Ų | 52.4 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.2 | -43.3 | 178.2 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | V179 L180 A185 S186 V187 | V179-V183 HydrophobicContact CG1-CG2 4.47Å; V179-V183 WeakPolarHBondContact O-CG2 3.4Å; V179-V183 PolarHBondContact O-N 3.18Å; L180-V183 PolarHBondContact O-N 3.1Å; V183-A185 VanDerWaalsContact C-N 3.31Å; V183-A185 PolarHBondContact O-N 2.95Å; V183-S186 PolarHBondContact O-N 2.75Å; V183-S186 PolarHBondContact O-OG 3.25Å; V183-V187 HydrophobicContact CG1-CG2 4.32Å; V183-V187 WeakPolarHBondContact O-CB 3.45Å; V183-V187 WeakPolarHBondContact O-CG2 3.4Å; V183-V187 PolarHBondContact O-N 3.23Å |
| 184 | L | 84.6 | Confident | 80.2 | Confident | 54 Ų | 54 | 54 Ų | 54 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 175.5 | -69.8 | 171.5 | 0 | 0 | 0 | 111.4 | L133 F136 L180 S186 R188 | L133-L184 HydrophobicContact CD2-CD1 4.17Å; F136-L184 HydrophobicContact CD1-CB 3.74Å; F136-L184 HydrophobicContact CD2-CB 3.97Å; F136-L184 HydrophobicContact CD2-CD1 3.84Å; F136-L184 HydrophobicContact CE1-CB 3.67Å; F136-L184 HydrophobicContact CE2-CB 3.93Å; F136-L184 HydrophobicContact CE2-CD1 4.24Å; F136-L184 HydrophobicContact CG-CB 3.88Å; F136-L184 HydrophobicContact CG-CD1 4.18Å; F136-L184 HydrophobicContact CZ-CB 3.77Å; L180-L184 HydrophobicContact CD1-CD1 3.97Å; L180-L184 HydrophobicContact CD1-CG 4.02Å; L180-L184 HydrophobicContact CG-CD1 3.9Å; L180-L184 HydrophobicContact CG-CG 4.38Å; L180-L184 WeakPolarHBondContact O-CB 3.44Å; L180-L184 VanDerWaalsContact O-CG 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.1Å; L184-S186 VanDerWaalsContact C-N 3.35Å; L184-S186 PolarHBondContact O-N 2.91Å; L184-R188 WeakPolarHBondContact O-CB 3.3Å; L184-R188 PolarHBondContact O-N 2.73Å |
| 185 | A | 77.6 | Confident | 79.2 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -31.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F136 Q181 I182 V183 F200 | F136-A185 HydrophobicContact CE1-CB 4.17Å; F136-A185 HydrophobicContact CZ-CB 4.24Å; Q181-A185 VanDerWaalsContact O-CB 3.24Å; Q181-A185 WeakPolarHBondContact O-CB 3.39Å; Q181-A185 PolarHBondContact O-N 3Å; I182-A185 PolarHBondContact O-N 2.99Å; V183-A185 VanDerWaalsContact C-N 3.31Å; V183-A185 PolarHBondContact O-N 2.95Å; A185-F200 HydrophobicContact CB-CD1 3.89Å; A185-F200 HydrophobicContact CB-CE1 3.85Å; A185-F200 HydrophobicContact CB-CG 4.41Å; A185-F200 HydrophobicContact CB-CZ 4.36Å |
| 186 | S | 77.6 | Confident | 78.2 | Confident | 37 Ų | 37 | 55.4 Ų | 55.4 | 26% | 0.259 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -83.2 | -34.1 | 175.7 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | I182 V183 L184 | I182-S186 PolarHBondContact O-N 3.31Å; I182-S186 VanDerWaalsContact O-N 3.07Å; I182-S186 PolarHBondContact O-OG 3.12Å; V183-S186 PolarHBondContact O-N 2.75Å; V183-S186 PolarHBondContact O-OG 3.25Å; L184-S186 VanDerWaalsContact C-N 3.35Å; L184-S186 PolarHBondContact O-N 2.91Å |
| 187 | V | 78.6 | Confident | 77.5 | Confident | 106 Ų | 106 | 54.6 Ų | 54.6 | 64% | 0.642 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -86.3 | -48.4 | -176.1 | 175.7 | 0 | 0 | 0 | 0 | 112.9 | V183 Y189 G190 | V183-V187 HydrophobicContact CG1-CG2 4.32Å; V183-V187 WeakPolarHBondContact O-CB 3.45Å; V183-V187 WeakPolarHBondContact O-CG2 3.4Å; V183-V187 PolarHBondContact O-N 3.23Å; V187-Y189 PolarHBondContact O-N 2.71Å; V187-Y189 VanDerWaalsContact O-N 3.15Å; V187-G190 PolarHBondContact O-N 2.97Å |
| 188 | R | 71.7 | Confident | 77 | Confident | 113 Ų | 113 | 56.5 Ų | 56.5 | 43% | 0.426 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -20.8 | -167.7 | -174.5 | 58.8 | -179.6 | 102.8 | 5.6 | 113.8 | F136 P138 P139 L184 | F136-R188 HydrophobicContact CD1-CB 4.41Å; P138-R188 PolarHBondContact O-NH2 3.46Å; P139-R188 VanDerWaalsContact C-NH2 3.27Å; P139-R188 VanDerWaalsContact CA-NH2 3.35Å; P139-R188 PolarHBondContact O-NH2 3.45Å; L184-R188 WeakPolarHBondContact O-CB 3.3Å; L184-R188 PolarHBondContact O-N 2.73Å |
| 189 | Y | 63.5 | Low | 76.2 | Confident | 19 Ų | 19 | 56.8 Ų | 56.8 | 8% | 0.075 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 10.9 | -170.4 | -69.1 | -71.4 | 0 | 0 | 0 | 114.6 | F136 P141 L145 V187 W1067 | F136-Y189 AromaticContact CD1-CE2 3.95Å; F136-Y189 HydrophobicContact CD1-CE2 3.95Å; F136-Y189 AromaticContact CE1-CE2 3.81Å; F136-Y189 HydrophobicContact CE1-CE2 3.81Å; P141-Y189 HydrophobicContact CB-CE1 3.94Å; P141-Y189 HydrophobicContact CG-CE1 4.24Å; L145-Y189 HydrophobicContact CD1-CD2 4.17Å; L145-Y189 HydrophobicContact CD1-CE1 4.44Å; L145-Y189 HydrophobicContact CD1-CE2 3.31Å; L145-Y189 VanDerWaalsContact CD1-CZ 3.47Å; L145-Y189 WeakPolarHBondContact CD1-OH 3.42Å; V187-Y189 PolarHBondContact O-N 2.71Å; V187-Y189 VanDerWaalsContact O-N 3.15Å; Y189-W1067 HydrophobicContact CD1-CB 3.58Å; Y189-W1067 HydrophobicContact CE1-CB 4.27Å; Y189-W1067 HydrophobicContact CG-CB 3.97Å |
| 190 | G | 62.4 | Low | 75.8 | Confident | 51 Ų | 51 | 52.8 Ų | 52.8 | 53% | 0.526 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 81.4 | -145.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V187 V192 | V187-G190 PolarHBondContact O-N 2.97Å; G190-V192 VanDerWaalsContact C-N 3.28Å; G190-V192 PolarHBondContact O-N 2.93Å |
| 191 | R | 62.3 | Low | 75.6 | Confident | 251 Ų | 251 | 54.8 Ų | 54.8 | 95% | 0.947 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -72.6 | 80.4 | 178.4 | -88.6 | -176.3 | 169 | 163.1 | -2.2 | 111.5 | ||
| 192 | V | 64.2 | Low | 75.4 | Confident | 20 Ų | 20 | 55 Ų | 55 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | trans | -75.9 | 129 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | G190 F196 I197 | G190-V192 VanDerWaalsContact C-N 3.28Å; G190-V192 PolarHBondContact O-N 2.93Å; V192-F196 HydrophobicContact CG1-CB 3.9Å; V192-F196 HydrophobicContact CG1-CD1 3.32Å; V192-F196 HydrophobicContact CG1-CE1 4.05Å; V192-F196 HydrophobicContact CG1-CG 3.95Å; V192-I197 HydrophobicContact CG1-CD1 4.48Å; V192-I197 HydrophobicContact CG1-CG1 3.97Å | ||
| 193 | P | 67.8 | Low | 75.1 | Confident | 37 Ų | 37 | 53.4 Ų | 53.4 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | trans | -74.7 | 140.5 | -178.5 | 30.6 | -35.4 | 0 | 0 | 0 | 112 | W195 F196 | P193-W195 VanDerWaalsContact C-N 3.27Å; P193-W195 HydrophobicContact CG-CZ2 3.9Å; P193-W195 PolarHBondContact O-N 2.73Å; P193-F196 HydrophobicContact CG-CB 4.32Å; P193-F196 WeakPolarHBondContact O-CB 3.19Å; P193-F196 PolarHBondContact O-N 3.21Å | ||
| 194 | G | 72.8 | Confident | 75.2 | Confident | 57 Ų | 57 | 50.1 Ų | 50.1 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -57.1 | -28.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | F196 I197 L198 | G194-F196 PolarHBondContact O-N 2.88Å; G194-I197 PolarHBondContact O-N 2.88Å; G194-L198 PolarHBondContact O-N 2.88Å; G194-L198 VanDerWaalsContact O-N 3.15Å |
| 195 | W | 72 | Confident | 75.4 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 17% | 0.167 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63 | -21.9 | 174.8 | 61.8 | -100.5 | 0 | 0 | 0 | 113.2 | P193 L199 I842 V843 Y973 Y976 R977 | P193-W195 VanDerWaalsContact C-N 3.27Å; P193-W195 HydrophobicContact CG-CZ2 3.9Å; P193-W195 PolarHBondContact O-N 2.73Å; W195-L199 HydrophobicContact CE3-CD1 3.85Å; W195-L199 HydrophobicContact CZ3-CD1 3.93Å; W195-L199 PolarHBondContact O-N 3Å; W195-I842 HydrophobicContact CB-CG2 4.5Å; W195-V843 HydrophobicContact CB-CG2 4.36Å; W195-V843 HydrophobicContact CE3-CG1 3.92Å; W195-V843 HydrophobicContact CE3-CG2 4.42Å; W195-V843 HydrophobicContact CZ3-CG1 4.3Å; W195-Y973 HydrophobicContact CZ2-CD1 4.46Å; W195-Y976 HydrophobicContact CH2-CD1 4.4Å; W195-R977 HydrophobicContact CH2-CG 4.07Å; W195-R977 HydrophobicContact CZ3-CG 4.32Å |
| 196 | F | 71.7 | Confident | 75.8 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.1 | -38.8 | 179.1 | -170.1 | -95.2 | 0 | 0 | 0 | 112.4 | L145 V192 P193 G194 L198 L199 F200 Y976 I980 | L145-F196 HydrophobicContact CB-CZ 4.45Å; L145-F196 HydrophobicContact CD2-CE1 3.33Å; L145-F196 HydrophobicContact CD2-CZ 3.33Å; L145-F196 HydrophobicContact CG-CZ 4.49Å; V192-F196 HydrophobicContact CG1-CB 3.9Å; V192-F196 HydrophobicContact CG1-CD1 3.32Å; V192-F196 HydrophobicContact CG1-CE1 4.05Å; V192-F196 HydrophobicContact CG1-CG 3.95Å; P193-F196 HydrophobicContact CG-CB 4.32Å; P193-F196 WeakPolarHBondContact O-CB 3.19Å; P193-F196 PolarHBondContact O-N 3.21Å; G194-F196 PolarHBondContact O-N 2.88Å; F196-L198 VanDerWaalsContact C-N 3.29Å; F196-L198 PolarHBondContact O-N 3Å; F196-L199 WeakPolarHBondContact O-CB 3.17Å; F196-L199 PolarHBondContact O-N 2.87Å; F196-F200 HydrophobicContact CE1-CD2 4.48Å; F196-F200 HydrophobicContact CE1-CE2 4.34Å; F196-F200 PolarHBondContact O-N 3.35Å; F196-Y976 HydrophobicContact CD2-CE1 4.1Å; F196-Y976 AromaticContact CE2-CE1 3.48Å; F196-Y976 HydrophobicContact CE2-CE1 3.48Å; F196-Y976 VanDerWaalsContact CE2-CE1 3.48Å; F196-Y976 AromaticContact CE2-CZ 3.72Å; F196-Y976 VanDerWaalsContact CE2-OH 3.23Å; F196-Y976 WeakPolarHBondContact CE2-OH 3.29Å; F196-Y976 HydrophobicContact CZ-CE1 4.33Å; F196-Y976 VanDerWaalsContact CZ-OH 3.3Å; F196-Y976 WeakPolarHBondContact CZ-OH 3.13Å; F196-I980 HydrophobicContact CD2-CD1 4.09Å; F196-I980 HydrophobicContact CE2-CD1 3.66Å |
| 197 | I | 77.6 | Confident | 76.2 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 31% | 0.313 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66 | -36.4 | 173 | -57.2 | 174.8 | 0 | 0 | 0 | 109.9 | I182 V192 G194 L199 F200 F201 | I182-I197 HydrophobicContact CG2-CG2 4.2Å; V192-I197 HydrophobicContact CG1-CD1 4.48Å; V192-I197 HydrophobicContact CG1-CG1 3.97Å; G194-I197 PolarHBondContact O-N 2.88Å; I197-L199 PolarHBondContact O-N 2.72Å; I197-F200 WeakPolarHBondContact O-CB 3.26Å; I197-F200 PolarHBondContact O-N 2.92Å; I197-F201 PolarHBondContact O-N 2.99Å |
| 198 | L | 79.7 | Confident | 76.7 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 25% | 0.246 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 172 | 175.6 | 64.8 | 0 | 0 | 0 | 112.3 | G194 F196 F201 V202 I842 | G194-L198 PolarHBondContact O-N 2.88Å; G194-L198 VanDerWaalsContact O-N 3.15Å; F196-L198 VanDerWaalsContact C-N 3.29Å; F196-L198 PolarHBondContact O-N 3Å; L198-F201 PolarHBondContact O-N 3.48Å; L198-V202 HydrophobicContact CD1-CG2 3.94Å; L198-V202 HydrophobicContact CG-CG2 4.3Å; L198-V202 WeakPolarHBondContact O-CB 3.39Å; L198-V202 VanDerWaalsContact O-CG2 3.25Å; L198-V202 WeakPolarHBondContact O-CG2 3.42Å; L198-V202 PolarHBondContact O-N 2.88Å; L198-I842 HydrophobicContact CD2-CB 3.81Å; L198-I842 HydrophobicContact CD2-CD1 3.62Å; L198-I842 HydrophobicContact CD2-CG1 4.32Å; L198-I842 HydrophobicContact CD2-CG2 3.55Å |
| 199 | L | 76.1 | Confident | 77.5 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -50.7 | 175.5 | -74.6 | 159.6 | 0 | 0 | 0 | 110.2 | W195 F196 I197 F201 V202 G203 T839 V843 I980 F984 | W195-L199 HydrophobicContact CE3-CD1 3.85Å; W195-L199 HydrophobicContact CZ3-CD1 3.93Å; W195-L199 PolarHBondContact O-N 3Å; F196-L199 WeakPolarHBondContact O-CB 3.17Å; F196-L199 PolarHBondContact O-N 2.87Å; I197-L199 PolarHBondContact O-N 2.72Å; L199-F201 VanDerWaalsContact C-N 3.35Å; L199-F201 PolarHBondContact O-N 3.22Å; L199-V202 PolarHBondContact O-N 3.21Å; L199-V202 VanDerWaalsContact O-N 3.13Å; L199-G203 PolarHBondContact O-N 2.87Å; L199-T839 HydrophobicContact CD2-CG2 3.77Å; L199-T839 HydrophobicContact CG-CG2 4.47Å; L199-V843 HydrophobicContact CD1-CG1 4.04Å; L199-V843 HydrophobicContact CD1-CG2 3.88Å; L199-V843 HydrophobicContact CD2-CG2 3.97Å; L199-V843 HydrophobicContact CG-CG2 3.77Å; L199-I980 HydrophobicContact CD1-CG2 3.94Å; L199-F984 HydrophobicContact CB-CE2 4.06Å; L199-F984 HydrophobicContact CB-CZ 3.75Å; L199-F984 HydrophobicContact CD2-CD1 4.13Å; L199-F984 HydrophobicContact CD2-CD2 4.15Å; L199-F984 HydrophobicContact CD2-CE1 3.68Å; L199-F984 HydrophobicContact CD2-CE2 3.72Å; L199-F984 HydrophobicContact CD2-CG 4.38Å; L199-F984 HydrophobicContact CD2-CZ 3.48Å; L199-F984 VanDerWaalsContact CD2-CZ 3.48Å; L199-F984 HydrophobicContact CG-CE2 4.47Å; L199-F984 HydrophobicContact CG-CZ 4.25Å; L199-F984 VanDerWaalsContact O-CZ 3.31Å; L199-F984 WeakPolarHBondContact O-CZ 3.31Å |
| 200 | F | 81.1 | Confident | 78.6 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.3 | -49.6 | 176.3 | -98.6 | -104.3 | 0 | 0 | 0 | 112.7 | L145 L149 I182 A185 F196 I197 V202 G203 H204 | L145-F200 HydrophobicContact CD2-CD2 4.43Å; L145-F200 HydrophobicContact CD2-CE1 4.45Å; L145-F200 HydrophobicContact CD2-CE2 3.41Å; L145-F200 VanDerWaalsContact CD2-CE2 3.41Å; L145-F200 HydrophobicContact CD2-CZ 3.44Å; L145-F200 VanDerWaalsContact CD2-CZ 3.44Å; L145-F200 HydrophobicContact CG-CE2 4.05Å; L145-F200 HydrophobicContact CG-CZ 3.69Å; L149-F200 HydrophobicContact CB-CE1 4.19Å; L149-F200 HydrophobicContact CB-CE2 4.28Å; L149-F200 HydrophobicContact CB-CZ 3.72Å; L149-F200 HydrophobicContact CD1-CD1 4.15Å; L149-F200 HydrophobicContact CD1-CE1 3.94Å; L149-F200 HydrophobicContact CD1-CZ 4.19Å; L149-F200 HydrophobicContact CD2-CD2 4.28Å; L149-F200 HydrophobicContact CD2-CE2 3.98Å; L149-F200 HydrophobicContact CD2-CZ 4.18Å; L149-F200 HydrophobicContact CG-CE1 4.48Å; L149-F200 HydrophobicContact CG-CZ 4.24Å; I182-F200 HydrophobicContact CG1-CB 4.31Å; A185-F200 HydrophobicContact CB-CD1 3.89Å; A185-F200 HydrophobicContact CB-CE1 3.85Å; A185-F200 HydrophobicContact CB-CG 4.41Å; A185-F200 HydrophobicContact CB-CZ 4.36Å; F196-F200 HydrophobicContact CE1-CD2 4.48Å; F196-F200 HydrophobicContact CE1-CE2 4.34Å; F196-F200 PolarHBondContact O-N 3.35Å; I197-F200 WeakPolarHBondContact O-CB 3.26Å; I197-F200 PolarHBondContact O-N 2.92Å; F200-V202 PolarHBondContact O-N 3.19Å; F200-G203 PolarHBondContact O-N 3.06Å; F200-H204 PolarHBondContact O-CD2 3.07Å; F200-H204 VanDerWaalsContact O-CD2 3.27Å; F200-H204 PolarHBondContact O-N 3.24Å; F200-H204 VanDerWaalsContact O-N 3.13Å |
| 201 | F | 85.6 | Confident | 79.8 | Confident | 117 Ų | 117 | 39.8 Ų | 39.8 | 51% | 0.513 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.3 | -47.6 | 175.5 | 177 | -95.2 | 0 | 0 | 0 | 112.8 | I197 L198 L199 G203 H204 F205 | I197-F201 PolarHBondContact O-N 2.99Å; L198-F201 PolarHBondContact O-N 3.48Å; L199-F201 VanDerWaalsContact C-N 3.35Å; L199-F201 PolarHBondContact O-N 3.22Å; F201-G203 VanDerWaalsContact C-N 3.34Å; F201-G203 PolarHBondContact O-N 3.11Å; F201-H204 PolarHBondContact O-N 2.89Å; F201-F205 VanDerWaalsContact O-CB 3.32Å; F201-F205 WeakPolarHBondContact O-CB 3.38Å; F201-F205 PolarHBondContact O-N 3.09Å |
| 202 | V | 83.6 | Confident | 81.1 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.4 | -37.6 | -179.1 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | L198 L199 F200 S206 I835 T839 F984 | L198-V202 HydrophobicContact CD1-CG2 3.94Å; L198-V202 HydrophobicContact CG-CG2 4.3Å; L198-V202 WeakPolarHBondContact O-CB 3.39Å; L198-V202 VanDerWaalsContact O-CG2 3.25Å; L198-V202 WeakPolarHBondContact O-CG2 3.42Å; L198-V202 PolarHBondContact O-N 2.88Å; L199-V202 PolarHBondContact O-N 3.21Å; L199-V202 VanDerWaalsContact O-N 3.13Å; F200-V202 PolarHBondContact O-N 3.19Å; V202-S206 VanDerWaalsContact O-CB 3.28Å; V202-S206 WeakPolarHBondContact O-CB 3.42Å; V202-S206 PolarHBondContact O-N 2.87Å; V202-S206 PolarHBondContact O-OG 2.9Å; V202-I835 HydrophobicContact CB-CG2 4.47Å; V202-I835 HydrophobicContact CG1-CG2 3.71Å; V202-I835 HydrophobicContact CG2-CG2 4.04Å; V202-T839 HydrophobicContact CG2-CG2 4.35Å; V202-T839 WeakPolarHBondContact CG2-OG1 3.34Å; V202-F984 HydrophobicContact CB-CE1 4.45Å; V202-F984 HydrophobicContact CG1-CE1 4.09Å |
| 203 | G | 80.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -51 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L153 L199 F200 F201 F205 S206 V207 M987 | L153-G203 WeakPolarHBondContact CD2-O 3.43Å; L199-G203 PolarHBondContact O-N 2.87Å; F200-G203 PolarHBondContact O-N 3.06Å; F201-G203 VanDerWaalsContact C-N 3.34Å; F201-G203 PolarHBondContact O-N 3.11Å; G203-F205 PolarHBondContact O-N 2.9Å; G203-S206 PolarHBondContact O-N 2.73Å; G203-V207 PolarHBondContact O-N 3.22Å; G203-V207 VanDerWaalsContact O-N 3.11Å; G203-M987 WeakPolarHBondContact CA-SD 3.37Å |
| 204 | H | 88.3 | Confident | 83 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.019 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 175.6 | -78.2 | -84.1 | 0 | 0 | 0 | 111.8 | S178 I182 F200 F201 S206 V207 H208 | S178-H204 WeakPolarHBondContact CB-ND1 3.37Å; S178-H204 PolarHBondContact OG-ND1 3.2Å; I182-H204 HydrophobicContact CD1-CB 4.29Å; F200-H204 PolarHBondContact O-CD2 3.07Å; F200-H204 VanDerWaalsContact O-CD2 3.27Å; F200-H204 PolarHBondContact O-N 3.24Å; F200-H204 VanDerWaalsContact O-N 3.13Å; F201-H204 PolarHBondContact O-N 2.89Å; H204-S206 VanDerWaalsContact C-N 3.32Å; H204-S206 PolarHBondContact O-N 3.2Å; H204-V207 WeakPolarHBondContact O-CG1 3.4Å; H204-V207 PolarHBondContact O-N 3.23Å; H204-H208 WeakPolarHBondContact O-CB 3.28Å; H204-H208 PolarHBondContact O-CD2 3.09Å; H204-H208 PolarHBondContact O-N 2.91Å |
| 205 | F | 88.3 | Confident | 83.8 | Confident | 87 Ų | 87 | 25.7 Ų | 25.7 | 38% | 0.382 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 176.3 | -175.9 | -89.2 | 0 | 0 | 0 | 112.1 | F201 G203 H208 L209 I835 | F201-F205 VanDerWaalsContact O-CB 3.32Å; F201-F205 WeakPolarHBondContact O-CB 3.38Å; F201-F205 PolarHBondContact O-N 3.09Å; G203-F205 PolarHBondContact O-N 2.9Å; F205-H208 PolarHBondContact O-N 3.35Å; F205-L209 HydrophobicContact CE1-CB 4.49Å; F205-L209 HydrophobicContact CE1-CD2 4.06Å; F205-L209 WeakPolarHBondContact O-CB 3.4Å; F205-L209 PolarHBondContact O-N 2.86Å; F205-I835 HydrophobicContact CD1-CD1 3.83Å; F205-I835 HydrophobicContact CE1-CD1 3.45Å; F205-I835 VanDerWaalsContact CE1-CD1 3.45Å; F205-I835 HydrophobicContact CZ-CD1 4.42Å |
| 206 | S | 85.2 | Confident | 84.5 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | -179.2 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | V202 G203 H204 H208 L209 I210 | V202-S206 VanDerWaalsContact O-CB 3.28Å; V202-S206 WeakPolarHBondContact O-CB 3.42Å; V202-S206 PolarHBondContact O-N 2.87Å; V202-S206 PolarHBondContact O-OG 2.9Å; G203-S206 PolarHBondContact O-N 2.73Å; H204-S206 VanDerWaalsContact C-N 3.32Å; H204-S206 PolarHBondContact O-N 3.2Å; S206-H208 PolarHBondContact O-N 3.13Å; S206-L209 PolarHBondContact O-N 3.3Å; S206-I210 WeakPolarHBondContact O-CD1 3.44Å; S206-I210 VanDerWaalsContact O-CG1 3.29Å; S206-I210 WeakPolarHBondContact O-CG1 3.18Å; S206-I210 PolarHBondContact O-N 3.43Å |
| 207 | V | 86 | Confident | 85 | Confident | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.8 | -35 | 179.3 | 77.7 | 0 | 0 | 0 | 0 | 112.1 | L153 I156 L157 G203 H204 G211 | L153-V207 HydrophobicContact CD2-CB 3.91Å; L153-V207 HydrophobicContact CD2-CG1 3.38Å; I156-V207 HydrophobicContact CB-CG1 4.3Å; I156-V207 HydrophobicContact CG2-CG1 3.84Å; I156-V207 HydrophobicContact CG2-CG2 4.34Å; L157-V207 HydrophobicContact CB-CG2 3.86Å; L157-V207 HydrophobicContact CD1-CG2 4.3Å; G203-V207 PolarHBondContact O-N 3.22Å; G203-V207 VanDerWaalsContact O-N 3.11Å; H204-V207 WeakPolarHBondContact O-CG1 3.4Å; H204-V207 PolarHBondContact O-N 3.23Å; V207-G211 PolarHBondContact O-N 3Å |
| 208 | H | 90.8 | Very high | 85.3 | Confident | 25 Ų | 25 | 21.6 Ų | 21.6 | 12% | 0.116 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 173.1 | -84.7 | -70.4 | 0 | 0 | 0 | 111 | Y160 S178 H204 F205 S206 I210 G211 I212 | Y160-H208 AromaticContact CE2-CE1 3.94Å; Y160-H208 AromaticContact CE2-ND1 3.55Å; Y160-H208 AromaticContact CZ-ND1 3.58Å; Y160-H208 PolarHBondContact OH-ND1 3.14Å; Y160-H208 VanDerWaalsContact OH-ND1 3.13Å; S178-H208 PolarHBondContact OG-NE2 3.39Å; H204-H208 WeakPolarHBondContact O-CB 3.28Å; H204-H208 PolarHBondContact O-CD2 3.09Å; H204-H208 PolarHBondContact O-N 2.91Å; F205-H208 PolarHBondContact O-N 3.35Å; S206-H208 PolarHBondContact O-N 3.13Å; H208-I210 PolarHBondContact O-N 2.61Å; H208-G211 PolarHBondContact O-N 3.23Å; H208-I212 WeakPolarHBondContact O-CB 3.41Å; H208-I212 VanDerWaalsContact O-CD1 3.29Å; H208-I212 WeakPolarHBondContact O-CD1 3.38Å; H208-I212 WeakPolarHBondContact O-CG1 3.45Å; H208-I212 PolarHBondContact O-N 3.36Å |
| 209 | L | 88 | Confident | 85.7 | Confident | 41 Ų | 41 | 20.7 Ų | 20.7 | 22% | 0.215 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.3 | -44.7 | -179.8 | -177.1 | 61.4 | 0 | 0 | 0 | 112.4 | F205 S206 N213 T828 I831 L832 | F205-L209 HydrophobicContact CE1-CB 4.49Å; F205-L209 HydrophobicContact CE1-CD2 4.06Å; F205-L209 WeakPolarHBondContact O-CB 3.4Å; F205-L209 PolarHBondContact O-N 2.86Å; S206-L209 PolarHBondContact O-N 3.3Å; L209-N213 PolarHBondContact O-N 2.61Å; L209-T828 HydrophobicContact CD1-CG2 4.47Å; L209-T828 HydrophobicContact CD2-CG2 4.06Å; L209-T828 HydrophobicContact CG-CG2 3.84Å; L209-I831 HydrophobicContact CD2-CG2 3.96Å; L209-L832 HydrophobicContact CD2-CD2 4.04Å; L209-L832 HydrophobicContact CD2-CG 4.12Å |
| 210 | I | 85.7 | Confident | 86.2 | Confident | 6 Ų | 6 | 20.1 Ų | 20.1 | 3% | 0.031 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.9 | -48.1 | 175.8 | -65.3 | 164.6 | 0 | 0 | 0 | 110.6 | L157 S206 H208 I212 N213 L214 L832 L993 | L157-I210 HydrophobicContact CD1-CG2 4.38Å; S206-I210 WeakPolarHBondContact O-CD1 3.44Å; S206-I210 VanDerWaalsContact O-CG1 3.29Å; S206-I210 WeakPolarHBondContact O-CG1 3.18Å; S206-I210 PolarHBondContact O-N 3.43Å; H208-I210 PolarHBondContact O-N 2.61Å; I210-I212 PolarHBondContact O-N 2.98Å; I210-N213 PolarHBondContact O-N 2.86Å; I210-L214 HydrophobicContact CG2-CD1 3.7Å; I210-L214 HydrophobicContact CG2-CG 4.33Å; I210-L214 WeakPolarHBondContact O-CG 3.49Å; I210-L214 PolarHBondContact O-N 3.41Å; I210-L832 HydrophobicContact CD1-CD1 4.09Å; I210-L832 HydrophobicContact CG1-CD1 3.88Å; I210-L993 HydrophobicContact CG2-CD1 4.36Å |
| 211 | G | 88.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V207 H208 H215 | V207-G211 PolarHBondContact O-N 3Å; H208-G211 PolarHBondContact O-N 3.23Å; G211-H215 WeakPolarHBondContact O-CB 3.22Å; G211-H215 PolarHBondContact O-N 2.86Å |
| 212 | I | 90 | Very high | 86 | Confident | 45 Ų | 45 | 16.1 Ų | 16.1 | 23% | 0.231 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.6 | -49.3 | 175.8 | -68.5 | 160 | 0 | 0 | 0 | 110.7 | Y160 L167 L171 H208 I210 H215 L216 | Y160-I212 HydrophobicContact CE1-CG1 3.85Å; L167-I212 HydrophobicContact CD1-CG1 4.17Å; L167-I212 HydrophobicContact CD1-CG2 4.37Å; L167-I212 HydrophobicContact CD2-CG2 4.18Å; L171-I212 HydrophobicContact CD2-CD1 4.21Å; H208-I212 WeakPolarHBondContact O-CB 3.41Å; H208-I212 VanDerWaalsContact O-CD1 3.29Å; H208-I212 WeakPolarHBondContact O-CD1 3.38Å; H208-I212 WeakPolarHBondContact O-CG1 3.45Å; H208-I212 PolarHBondContact O-N 3.36Å; I210-I212 PolarHBondContact O-N 2.98Å; I212-H215 PolarHBondContact O-N 3.1Å; I212-L216 HydrophobicContact CG2-CD1 3.8Å; I212-L216 HydrophobicContact CG2-CG 4.4Å; I212-L216 WeakPolarHBondContact O-CB 3.38Å; I212-L216 VanDerWaalsContact O-CG 3.28Å; I212-L216 WeakPolarHBondContact O-CG 3.36Å; I212-L216 PolarHBondContact O-N 2.92Å |
| 213 | N | 87.1 | Confident | 86.2 | Confident | 10 Ų | 10 | 16.4 Ų | 16.4 | 5% | 0.053 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.7 | -50.4 | -179.8 | -177.7 | 4.1 | 0 | 0 | 0 | 111.4 | L209 I210 H215 L216 M217 T828 | L209-N213 PolarHBondContact O-N 2.61Å; I210-N213 PolarHBondContact O-N 2.86Å; N213-H215 VanDerWaalsContact C-N 3.32Å; N213-H215 PolarHBondContact O-N 3.07Å; N213-L216 PolarHBondContact O-N 3.47Å; N213-M217 WeakPolarHBondContact O-CG 3.13Å; N213-M217 PolarHBondContact O-N 2.99Å; N213-M217 WeakPolarHBondContact OD1-CG 3.32Å; N213-T828 PolarHBondContact ND2-OG1 3.3Å |
| 214 | L | 85.1 | Confident | 86.2 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60 | -40.5 | 178.8 | -66.8 | 172.1 | 0 | 0 | 0 | 112.6 | L157 T161 I210 S218 L993 F1098 | L157-L214 HydrophobicContact CD1-CD1 4.47Å; T161-L214 HydrophobicContact CG2-CB 4.26Å; T161-L214 HydrophobicContact CG2-CD1 3.96Å; I210-L214 HydrophobicContact CG2-CD1 3.7Å; I210-L214 HydrophobicContact CG2-CG 4.33Å; I210-L214 WeakPolarHBondContact O-CG 3.49Å; I210-L214 PolarHBondContact O-N 3.41Å; L214-S218 WeakPolarHBondContact O-CB 3.26Å; L214-S218 PolarHBondContact O-N 2.98Å; L214-L993 HydrophobicContact CD1-CB 3.65Å; L214-L993 HydrophobicContact CD1-CD1 3.52Å; L214-L993 HydrophobicContact CD1-CG 4.16Å; L214-L993 HydrophobicContact CD2-CB 3.91Å; L214-L993 HydrophobicContact CG-CB 4.39Å; L214-F1098 HydrophobicContact CB-CE1 4.48Å; L214-F1098 HydrophobicContact CB-CZ 3.96Å; L214-F1098 HydrophobicContact CD1-CE2 4.22Å; L214-F1098 HydrophobicContact CD1-CZ 4.41Å; L214-F1098 HydrophobicContact CD2-CE2 4.28Å; L214-F1098 HydrophobicContact CD2-CZ 4.3Å; L214-F1098 HydrophobicContact CG-CZ 4.46Å |
| 215 | H | 88.5 | Confident | 85.7 | Confident | 11 Ų | 11 | 17.1 Ų | 17.1 | 5% | 0.051 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.4 | -48.2 | 175.7 | -170.4 | 92.9 | 0 | 0 | 0 | 111.5 | Y160 L165 L167 L170 G211 I212 N213 S218 Q219 | Y160-H215 PolarHBondContact O-ND1 3.24Å; L165-H215 PolarHBondContact O-CE1 3.24Å; L165-H215 PolarHBondContact O-NE2 3.48Å; L167-H215 HydrophobicContact CD1-CB 4.49Å; L170-H215 WeakPolarHBondContact CD1-CE1 3.41Å; L170-H215 VanDerWaalsContact CD1-ND1 3.29Å; L170-H215 WeakPolarHBondContact CD1-ND1 3.26Å; G211-H215 WeakPolarHBondContact O-CB 3.22Å; G211-H215 PolarHBondContact O-N 2.86Å; I212-H215 PolarHBondContact O-N 3.1Å; N213-H215 VanDerWaalsContact C-N 3.32Å; N213-H215 PolarHBondContact O-N 3.07Å; H215-S218 PolarHBondContact O-N 3.19Å; H215-Q219 WeakPolarHBondContact NE2-CG 3.45Å; H215-Q219 PolarHBondContact NE2-NE2 2.85Å; H215-Q219 VanDerWaalsContact O-CG 3.29Å; H215-Q219 WeakPolarHBondContact O-CG 3.4Å; H215-Q219 PolarHBondContact O-N 2.94Å |
| 216 | L | 87.7 | Confident | 85.5 | Confident | 9 Ų | 9 | 13 Ų | 13 | 5% | 0.047 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.8 | -48.5 | 178.6 | -74.8 | 172.8 | 0 | 0 | 0 | 111.8 | I34 L37 L167 I212 N213 S218 Q219 V220 W815 | I34-L216 HydrophobicContact CG2-CD1 4.19Å; I34-L216 HydrophobicContact CG2-CD2 4.21Å; L37-L216 HydrophobicContact CD1-CD2 3.53Å; L167-L216 HydrophobicContact CD2-CD1 4.45Å; L167-L216 HydrophobicContact CD2-CD2 3.99Å; L167-L216 HydrophobicContact CD2-CG 4.22Å; I212-L216 HydrophobicContact CG2-CD1 3.8Å; I212-L216 HydrophobicContact CG2-CG 4.4Å; I212-L216 WeakPolarHBondContact O-CB 3.38Å; I212-L216 VanDerWaalsContact O-CG 3.28Å; I212-L216 WeakPolarHBondContact O-CG 3.36Å; I212-L216 PolarHBondContact O-N 2.92Å; N213-L216 PolarHBondContact O-N 3.47Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 3.46Å; L216-Q219 PolarHBondContact O-N 3.35Å; L216-V220 VanDerWaalsContact O-CB 3.29Å; L216-V220 WeakPolarHBondContact O-CB 3.21Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.44Å; L216-V220 PolarHBondContact O-N 3.24Å; L216-W815 HydrophobicContact CD1-CZ3 4.32Å |
| 217 | M | 82.6 | Confident | 85.2 | Confident | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -58.2 | -44.3 | 176.2 | -70.1 | -62.3 | 116.7 | 0 | 0 | 111.8 | N213 Q219 V220 W221 W815 A821 I824 | N213-M217 WeakPolarHBondContact O-CG 3.13Å; N213-M217 PolarHBondContact O-N 2.99Å; N213-M217 WeakPolarHBondContact OD1-CG 3.32Å; M217-Q219 PolarHBondContact O-N 2.92Å; M217-V220 PolarHBondContact O-N 2.72Å; M217-W221 WeakPolarHBondContact O-CB 3.41Å; M217-W221 PolarHBondContact O-N 2.79Å; M217-W815 HydrophobicContact CE-CD2 4.36Å; M217-W815 HydrophobicContact CE-CE3 3.49Å; M217-W815 VanDerWaalsContact CE-CE3 3.49Å; M217-W815 HydrophobicContact CE-CZ3 4.02Å; M217-A821 HydrophobicContact SD-CB 4.36Å; M217-I824 HydrophobicContact CE-CD1 3.64Å; M217-I824 HydrophobicContact CE-CG2 4.24Å |
| 218 | S | 83.5 | Confident | 84.7 | Confident | 12 Ų | 12 | 15.8 Ų | 15.8 | 8% | 0.084 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 178.9 | -153.1 | 0 | 0 | 0 | 0 | 112.7 | R59 L214 H215 L216 R222 | R59-S218 PolarHBondContact NH1-OG 2.79Å; R59-S218 PolarHBondContact NH2-OG 2.97Å; L214-S218 WeakPolarHBondContact O-CB 3.26Å; L214-S218 PolarHBondContact O-N 2.98Å; H215-S218 PolarHBondContact O-N 3.19Å; L216-S218 VanDerWaalsContact C-N 3.33Å; L216-S218 PolarHBondContact O-N 3.46Å; S218-R222 VanDerWaalsContact O-CG 3.3Å; S218-R222 WeakPolarHBondContact O-CG 3.43Å; S218-R222 PolarHBondContact O-N 2.67Å |
| 219 | Q | 87.3 | Confident | 84 | Confident | 28 Ų | 28 | 15.4 Ų | 15.4 | 13% | 0.131 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.8 | -44.1 | 177.7 | -69.6 | -76.8 | 3.6 | 0 | 0 | 112.5 | L165 H215 L216 M217 R223 | L165-Q219 PolarHBondContact O-NE2 2.92Å; H215-Q219 WeakPolarHBondContact NE2-CG 3.45Å; H215-Q219 PolarHBondContact NE2-NE2 2.85Å; H215-Q219 VanDerWaalsContact O-CG 3.29Å; H215-Q219 WeakPolarHBondContact O-CG 3.4Å; H215-Q219 PolarHBondContact O-N 2.94Å; L216-Q219 PolarHBondContact O-N 3.35Å; M217-Q219 PolarHBondContact O-N 2.92Å; Q219-R223 PolarHBondContact O-N 2.88Å |
| 220 | V | 86.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 179.1 | 159.7 | 0 | 0 | 0 | 0 | 111.1 | L26 F27 L37 L216 M217 S224 W815 S816 | L26-V220 HydrophobicContact CB-CG2 4.32Å; L26-V220 VanDerWaalsContact O-CG1 3.28Å; L26-V220 WeakPolarHBondContact O-CG1 3.15Å; F27-V220 HydrophobicContact CB-CG1 4.42Å; F27-V220 HydrophobicContact CD1-CG2 4.43Å; L37-V220 HydrophobicContact CD2-CG2 3.77Å; L216-V220 VanDerWaalsContact O-CB 3.29Å; L216-V220 WeakPolarHBondContact O-CB 3.21Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.44Å; L216-V220 PolarHBondContact O-N 3.24Å; M217-V220 PolarHBondContact O-N 2.72Å; V220-S224 WeakPolarHBondContact O-CB 3.45Å; V220-S224 PolarHBondContact O-N 3.19Å; V220-S224 VanDerWaalsContact O-N 3.08Å; V220-W815 HydrophobicContact CG1-CB 4Å; V220-S816 VanDerWaalsContact CG1-N 3.32Å |
| 221 | W | 80.8 | Confident | 83.1 | Confident | 20 Ų | 20 | 16.3 Ų | 16.3 | 8% | 0.076 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66 | -51.4 | 178.1 | -70.8 | -15.1 | 0 | 0 | 0 | 112 | M217 R223 S224 T225 A821 T995 F1102 | M217-W221 WeakPolarHBondContact O-CB 3.41Å; M217-W221 PolarHBondContact O-N 2.79Å; W221-R223 VanDerWaalsContact C-N 3.31Å; W221-R223 PolarHBondContact O-N 3.47Å; W221-S224 CarbonylContact O-C 3.47Å; W221-S224 WeakPolarHBondContact O-CA 3.4Å; W221-S224 PolarHBondContact O-N 2.9Å; W221-T225 PolarHBondContact O-N 2.7Å; W221-T225 PolarHBondContact O-OG1 2.91Å; W221-A821 HydrophobicContact CH2-CB 4.39Å; W221-A821 HydrophobicContact CZ2-CB 3.75Å; W221-T995 VanDerWaalsContact CH2-CB 3.49Å; W221-T995 HydrophobicContact CH2-CG2 3.86Å; W221-T995 VanDerWaalsContact CH2-OG1 3.28Å; W221-T995 WeakPolarHBondContact CH2-OG1 3.5Å; W221-T995 HydrophobicContact CZ3-CG2 3.7Å; W221-F1102 HydrophobicContact CD2-CD2 4.45Å; W221-F1102 HydrophobicContact CE3-CD2 4.03Å; W221-F1102 HydrophobicContact CH2-CB 4.4Å; W221-F1102 AromaticContact CH2-CD2 3.22Å; W221-F1102 HydrophobicContact CH2-CD2 3.22Å; W221-F1102 AromaticContact CH2-CE2 3.67Å; W221-F1102 HydrophobicContact CH2-CE2 3.67Å; W221-F1102 HydrophobicContact CH2-CG 4Å; W221-F1102 AromaticContact CZ2-CD2 3.75Å; W221-F1102 HydrophobicContact CZ2-CD2 3.75Å; W221-F1102 AromaticContact CZ2-CE2 3.81Å; W221-F1102 HydrophobicContact CZ2-CE2 3.81Å; W221-F1102 HydrophobicContact CZ3-CB 3.89Å; W221-F1102 AromaticContact CZ3-CD2 3.42Å; W221-F1102 HydrophobicContact CZ3-CD2 3.42Å; W221-F1102 VanDerWaalsContact CZ3-CD2 3.42Å; W221-F1102 HydrophobicContact CZ3-CE2 4.3Å; W221-F1102 AromaticContact CZ3-CG 3.98Å; W221-F1102 HydrophobicContact CZ3-CG 3.98Å |
| 222 | R | 82.4 | Confident | 82.4 | Confident | 22 Ų | 22 | 17.9 Ų | 17.9 | 8% | 0.083 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -54.6 | -42.8 | -179.2 | -71.7 | 174.2 | 92 | -162.3 | 10.6 | 113.2 | Y48 S55 S56 S218 F226 F776 | Y48-R222 HydrophobicContact CE2-CB 4.4Å; Y48-R222 WeakPolarHBondContact OH-CB 3.47Å; S55-R222 PolarHBondContact OG-NH2 2.91Å; S56-R222 PolarHBondContact OG-NH1 2.77Å; S56-R222 PolarHBondContact OG-NH2 2.92Å; S218-R222 VanDerWaalsContact O-CG 3.3Å; S218-R222 WeakPolarHBondContact O-CG 3.43Å; S218-R222 PolarHBondContact O-N 2.67Å; R222-F226 WeakPolarHBondContact O-CB 3.44Å; R222-F226 PolarHBondContact O-N 2.99Å; R222-F226 VanDerWaalsContact O-N 3.09Å; R222-F776 HydrophobicContact CB-CE1 4.41Å |
| 223 | R | 87.2 | Confident | 81.8 | Confident | 10 Ų | 10 | 16 Ų | 16 | 4% | 0.038 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -70.1 | -37.9 | 176.1 | -75.1 | -168.5 | -177.6 | 76.2 | -3.6 | 112.7 | F27 L37 F39 E45 Y48 Q219 W221 F226 L227 | F27-R223 HydrophobicContact CD2-CB 3.81Å; F27-R223 HydrophobicContact CE2-CB 3.81Å; F27-R223 HydrophobicContact CE2-CG 4.3Å; F27-R223 HydrophobicContact CG-CB 4.24Å; F27-R223 HydrophobicContact CZ-CB 4.22Å; F27-R223 HydrophobicContact CZ-CG 4.35Å; L37-R223 VanDerWaalsContact O-CZ 3.22Å; L37-R223 PolarHBondContact O-NH2 3.35Å; F39-R223 HydrophobicContact CD2-CG 4.5Å; F39-R223 HydrophobicContact CE1-CB 4.27Å; F39-R223 HydrophobicContact CE2-CB 4.11Å; F39-R223 HydrophobicContact CE2-CG 3.68Å; F39-R223 HydrophobicContact CZ-CB 3.61Å; F39-R223 HydrophobicContact CZ-CG 3.74Å; E45-R223 IonicContact OE1-CZ 2.73Å; E45-R223 IonicContact OE1-NE 3.77Å; E45-R223 IonicContact OE1-NH2 3.17Å; E45-R223 PolarHBondContact OE1-NH2 2.92Å; E45-R223 IonicContact OE2-CZ 3.71Å; E45-R223 IonicContact OE2-NE 2.87Å; E45-R223 PolarHBondContact OE2-NE 3.37Å; E45-R223 IonicContact OE2-NH2 3.63Å; Y48-R223 HydrophobicContact CD1-CG 4.41Å; Y48-R223 HydrophobicContact CD2-CG 4.3Å; Y48-R223 HydrophobicContact CE1-CG 3.85Å; Y48-R223 HydrophobicContact CE2-CG 3.7Å; Y48-R223 VanDerWaalsContact CZ-CG 3.45Å; Q219-R223 PolarHBondContact O-N 2.88Å; W221-R223 VanDerWaalsContact C-N 3.31Å; W221-R223 PolarHBondContact O-N 3.47Å; R223-F226 PolarHBondContact O-N 2.95Å; R223-L227 WeakPolarHBondContact O-CB 3.44Å; R223-L227 PolarHBondContact O-N 3Å |
| 224 | S | 80.7 | Confident | 81.3 | Confident | 10 Ų | 10 | 16.9 Ų | 16.9 | 7% | 0.07 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -67.2 | -36.5 | 175.4 | -168.5 | 0 | 0 | 0 | 0 | 113.1 | V220 W221 R228 S816 | V220-S224 WeakPolarHBondContact O-CB 3.45Å; V220-S224 PolarHBondContact O-N 3.19Å; V220-S224 VanDerWaalsContact O-N 3.08Å; W221-S224 CarbonylContact O-C 3.47Å; W221-S224 WeakPolarHBondContact O-CA 3.4Å; W221-S224 PolarHBondContact O-N 2.9Å; S224-R228 VanDerWaalsContact O-CG 3.32Å; S224-R228 WeakPolarHBondContact O-CG 3.47Å; S224-R228 PolarHBondContact O-N 3.18Å; S224-S816 WeakPolarHBondContact CB-OG 3.26Å; S224-S816 VanDerWaalsContact OG-CB 3.29Å; S224-S816 WeakPolarHBondContact OG-CB 3.19Å; S224-S816 PolarHBondContact OG-OG 2.96Å |
| 225 | T | 77.9 | Confident | 80.5 | Confident | 8 Ų | 8 | 20.5 Ų | 20.5 | 5% | 0.049 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.5 | -47.7 | 174.5 | -43.2 | 0 | 0 | 0 | 0 | 110.3 | W221 L227 R228 M229 S1105 R1108 | W221-T225 PolarHBondContact O-N 2.7Å; W221-T225 PolarHBondContact O-OG1 2.91Å; T225-L227 PolarHBondContact O-N 2.74Å; T225-R228 PolarHBondContact O-N 3.47Å; T225-M229 HydrophobicContact CG2-SD 4.45Å; T225-M229 WeakPolarHBondContact O-CG 3.49Å; T225-M229 PolarHBondContact O-N 3.41Å; T225-S1105 WeakPolarHBondContact OG1-CB 3.2Å; T225-S1105 PolarHBondContact OG1-OG 3.15Å; T225-R1108 HydrophobicContact CG2-CB 3.73Å; T225-R1108 HydrophobicContact CG2-CG 3.92Å |
| 226 | F | 84.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.6 | -49 | 177.9 | 174 | -105.3 | 0 | 0 | 0 | 112.6 | F39 L44 F47 Y48 R222 R223 R228 M229 G230 L763 L766 I775 F776 | F39-F226 AromaticContact CE2-CD1 3.86Å; F39-F226 HydrophobicContact CE2-CD1 3.86Å; F39-F226 HydrophobicContact CE2-CE1 4.16Å; F39-F226 AromaticContact CZ-CD1 3.78Å; F39-F226 HydrophobicContact CZ-CD1 3.78Å; F39-F226 HydrophobicContact CZ-CE1 4.37Å; L44-F226 HydrophobicContact CD1-CE1 3.64Å; L44-F226 HydrophobicContact CD1-CZ 4.24Å; L44-F226 HydrophobicContact CG-CE1 4.23Å; F47-F226 HydrophobicContact CD1-CE2 4.04Å; F47-F226 AromaticContact CD1-CZ 3.92Å; F47-F226 HydrophobicContact CD1-CZ 3.92Å; Y48-F226 HydrophobicContact CD2-CB 3.91Å; Y48-F226 AromaticContact CD2-CD1 3.78Å; Y48-F226 HydrophobicContact CD2-CD1 3.78Å; Y48-F226 HydrophobicContact CD2-CD2 4.23Å; Y48-F226 HydrophobicContact CD2-CE1 4.33Å; Y48-F226 AromaticContact CD2-CG 3.71Å; Y48-F226 HydrophobicContact CD2-CG 3.71Å; Y48-F226 HydrophobicContact CE2-CB 4.22Å; Y48-F226 HydrophobicContact CE2-CG 4.5Å; Y48-F226 HydrophobicContact CG-CD1 4.36Å; R222-F226 WeakPolarHBondContact O-CB 3.44Å; R222-F226 PolarHBondContact O-N 2.99Å; R222-F226 VanDerWaalsContact O-N 3.09Å; R223-F226 PolarHBondContact O-N 2.95Å; F226-R228 VanDerWaalsContact C-N 3.33Å; F226-R228 PolarHBondContact O-N 3.25Å; F226-M229 PolarHBondContact O-N 2.79Å; F226-G230 PolarHBondContact O-N 3.23Å; F226-L763 HydrophobicContact CZ-CD2 4.19Å; F226-L766 HydrophobicContact CE2-CD1 4.07Å; F226-L766 HydrophobicContact CZ-CD1 4.23Å; F226-I775 HydrophobicContact CD2-CG2 4.38Å; F226-I775 HydrophobicContact CE2-CD1 4.43Å; F226-F776 HydrophobicContact CB-CZ 4.18Å |
| 227 | L | 79.8 | Confident | 79.3 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.9 | -38.8 | -179.7 | -171.4 | 69.6 | 0 | 0 | 0 | 112.1 | E28 F39 L44 R223 T225 G230 Y231 M762 | E28-L227 HydrophobicContact CB-CD2 3.88Å; E28-L227 HydrophobicContact CG-CD2 3.86Å; F39-L227 HydrophobicContact CE1-CB 4.42Å; F39-L227 HydrophobicContact CE1-CD1 4.45Å; L44-L227 HydrophobicContact CD2-CD1 4.27Å; R223-L227 WeakPolarHBondContact O-CB 3.44Å; R223-L227 PolarHBondContact O-N 3Å; T225-L227 PolarHBondContact O-N 2.74Å; L227-G230 PolarHBondContact O-N 3.1Å; L227-Y231 HydrophobicContact CD1-CE2 4.16Å; L227-Y231 HydrophobicContact CD2-CE2 3.9Å; L227-Y231 HydrophobicContact CG-CD2 4.23Å; L227-Y231 HydrophobicContact CG-CE2 3.64Å; L227-Y231 WeakPolarHBondContact O-CD2 3.29Å; L227-Y231 PolarHBondContact O-N 3.25Å; L227-M762 HydrophobicContact CD1-CE 4.14Å; L227-M762 HydrophobicContact CD1-SD 4.35Å |
| 228 | R | 75 | Confident | 78.7 | Confident | 63 Ų | 63 | 30.1 Ų | 30.1 | 24% | 0.238 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 175.2 | -73.5 | 175.9 | -177.5 | 167.7 | 2.3 | 112.2 | S224 T225 F226 G230 Y231 N232 D1109 | S224-R228 VanDerWaalsContact O-CG 3.32Å; S224-R228 WeakPolarHBondContact O-CG 3.47Å; S224-R228 PolarHBondContact O-N 3.18Å; T225-R228 PolarHBondContact O-N 3.47Å; F226-R228 VanDerWaalsContact C-N 3.33Å; F226-R228 PolarHBondContact O-N 3.25Å; R228-G230 PolarHBondContact O-N 3.42Å; R228-Y231 PolarHBondContact O-N 3.06Å; R228-N232 PolarHBondContact O-N 3.22Å; R228-N232 PolarHBondContact O-ND2 3.19Å; R228-N232 PolarHBondContact O-OD1 3.42Å; R228-D1109 WeakPolarHBondContact CD-OD1 3.31Å; R228-D1109 IonicContact CZ-OD1 2.6Å; R228-D1109 IonicContact NE-OD1 3.62Å; R228-D1109 IonicContact NH1-OD1 2.79Å; R228-D1109 PolarHBondContact NH1-OD1 3.21Å; R228-D1109 IonicContact NH1-OD2 3.94Å; R228-D1109 PolarHBondContact NH1-OD2 3.5Å |
| 229 | M | 75.6 | Confident | 78 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -37 | 172.6 | -70 | -174.5 | 70.5 | 0 | 0 | 111.7 | T225 F226 N232 A233 L766 I775 R1108 | T225-M229 HydrophobicContact CG2-SD 4.45Å; T225-M229 WeakPolarHBondContact O-CG 3.49Å; T225-M229 PolarHBondContact O-N 3.41Å; F226-M229 PolarHBondContact O-N 2.79Å; M229-N232 PolarHBondContact O-N 3.47Å; M229-A233 PolarHBondContact O-N 3.28Å; M229-L766 HydrophobicContact CB-CD2 4.37Å; M229-I775 HydrophobicContact CE-CB 4.36Å; M229-I775 HydrophobicContact CE-CG1 4.38Å; M229-I775 HydrophobicContact CE-CG2 4.13Å; M229-I775 HydrophobicContact SD-CG2 3.78Å; M229-R1108 HydrophobicContact CE-CG 4.49Å; M229-R1108 HydrophobicContact CG-CB 4.18Å; M229-R1108 HydrophobicContact CG-CG 4.34Å; M229-R1108 HydrophobicContact SD-CB 4.12Å; M229-R1108 HydrophobicContact SD-CG 3.62Å |
| 230 | G | 78.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.6 | -56 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | F226 L227 R228 N232 A233 L234 M762 | F226-G230 PolarHBondContact O-N 3.23Å; L227-G230 PolarHBondContact O-N 3.1Å; R228-G230 PolarHBondContact O-N 3.42Å; G230-N232 VanDerWaalsContact C-N 3.27Å; G230-N232 PolarHBondContact O-N 3.17Å; G230-A233 PolarHBondContact O-N 3.15Å; G230-A233 VanDerWaalsContact O-N 3.13Å; G230-L234 PolarHBondContact O-N 3.28Å; G230-M762 VanDerWaalsContact C-CG 3.4Å; G230-M762 WeakPolarHBondContact O-CG 3.5Å |
| 231 | Y | 76.8 | Confident | 76.6 | Confident | 67 Ų | 67 | 41 Ų | 41 | 26% | 0.263 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.6 | -34.4 | 177.7 | -65.4 | -42.1 | 0 | 0 | 0 | 113 | L227 R228 M235 I754 M762 | L227-Y231 HydrophobicContact CD1-CE2 4.16Å; L227-Y231 HydrophobicContact CD2-CE2 3.9Å; L227-Y231 HydrophobicContact CG-CD2 4.23Å; L227-Y231 HydrophobicContact CG-CE2 3.64Å; L227-Y231 WeakPolarHBondContact O-CD2 3.29Å; L227-Y231 PolarHBondContact O-N 3.25Å; R228-Y231 PolarHBondContact O-N 3.06Å; Y231-M235 VanDerWaalsContact O-CB 3.29Å; Y231-M235 WeakPolarHBondContact O-CB 3.13Å; Y231-M235 PolarHBondContact O-N 2.74Å; Y231-I754 HydrophobicContact CE1-CD1 3.59Å; Y231-M762 HydrophobicContact CD1-SD 3.83Å; Y231-M762 HydrophobicContact CE1-SD 3.91Å |
| 232 | N | 72.2 | Confident | 75.9 | Confident | 33 Ų | 33 | 43.4 Ų | 43.4 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -43.2 | 174.2 | -60.6 | -26.2 | 0 | 0 | 0 | 112.3 | R228 M229 G230 M235 R236 A1112 | R228-N232 PolarHBondContact O-N 3.22Å; R228-N232 PolarHBondContact O-ND2 3.19Å; R228-N232 PolarHBondContact O-OD1 3.42Å; M229-N232 PolarHBondContact O-N 3.47Å; G230-N232 VanDerWaalsContact C-N 3.27Å; G230-N232 PolarHBondContact O-N 3.17Å; N232-M235 PolarHBondContact O-N 3.03Å; N232-R236 WeakPolarHBondContact O-CB 3.49Å; N232-R236 WeakPolarHBondContact O-CG 3.45Å; N232-R236 PolarHBondContact O-N 3.48Å; N232-A1112 WeakPolarHBondContact ND2-CA 3.35Å; N232-A1112 WeakPolarHBondContact ND2-CB 3.4Å; N232-A1112 WeakPolarHBondContact OD1-CA 3.43Å; N232-A1112 VanDerWaalsContact OD1-CB 3.23Å; N232-A1112 WeakPolarHBondContact OD1-CB 3.27Å |
| 233 | A | 77.6 | Confident | 75.2 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M229 G230 M235 R236 K237 A765 L766 | M229-A233 PolarHBondContact O-N 3.28Å; G230-A233 PolarHBondContact O-N 3.15Å; G230-A233 VanDerWaalsContact O-N 3.13Å; A233-M235 PolarHBondContact O-N 3.18Å; A233-R236 PolarHBondContact O-N 2.84Å; A233-K237 PolarHBondContact O-N 2.88Å; A233-A765 HydrophobicContact CB-CB 4.16Å; A233-L766 HydrophobicContact CB-CD2 4.04Å; A233-L766 HydrophobicContact CB-CG 4.08Å |
| 234 | L | 77.4 | Confident | 74.4 | Confident | 29 Ų | 29 | 49 Ų | 49 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 173 | -174.1 | 65.9 | 0 | 0 | 0 | 111.6 | G230 R236 K237 A238 E761 M762 | G230-L234 PolarHBondContact O-N 3.28Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 3.04Å; L234-K237 WeakPolarHBondContact O-CB 3.44Å; L234-K237 PolarHBondContact O-N 3.44Å; L234-K237 VanDerWaalsContact O-N 3.17Å; L234-A238 PolarHBondContact O-N 2.9Å; L234-E761 HydrophobicContact CD1-CB 3.89Å; L234-M762 HydrophobicContact CB-CB 4.48Å; L234-M762 HydrophobicContact CB-CG 4.37Å; L234-M762 HydrophobicContact CD2-CB 4.38Å |
| 235 | M | 69 | Low | 73.7 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 39% | 0.389 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.9 | -35.5 | 177.4 | -159.1 | 87.3 | -174.6 | 0 | 0 | 112.2 | Y231 N232 A233 L239 I1119 | Y231-M235 VanDerWaalsContact O-CB 3.29Å; Y231-M235 WeakPolarHBondContact O-CB 3.13Å; Y231-M235 PolarHBondContact O-N 2.74Å; N232-M235 PolarHBondContact O-N 3.03Å; A233-M235 PolarHBondContact O-N 3.18Å; M235-L239 WeakPolarHBondContact O-CB 3.34Å; M235-L239 PolarHBondContact O-N 2.95Å; M235-I1119 HydrophobicContact CB-CD1 4.23Å; M235-I1119 HydrophobicContact CE-CG2 3.85Å; M235-I1119 HydrophobicContact CG-CD1 3.69Å; M235-I1119 HydrophobicContact CG-CG2 4.32Å |
| 236 | R | 72.9 | Confident | 73.1 | Confident | 107 Ų | 107 | 53.1 Ų | 53.1 | 40% | 0.404 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.6 | -36.4 | 172 | -75.7 | 178.3 | -179.2 | -164.9 | 1.1 | 112.4 | N232 A233 L234 K240 F769 | N232-R236 WeakPolarHBondContact O-CB 3.49Å; N232-R236 WeakPolarHBondContact O-CG 3.45Å; N232-R236 PolarHBondContact O-N 3.48Å; A233-R236 PolarHBondContact O-N 2.84Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 3.04Å; R236-K240 WeakPolarHBondContact O-CB 3.19Å; R236-K240 PolarHBondContact O-N 3.41Å; R236-F769 HydrophobicContact CB-CD2 4.24Å; R236-F769 HydrophobicContact CB-CE2 3.9Å; R236-F769 HydrophobicContact CB-CZ 4.06Å |
| 237 | K | 77.4 | Confident | 72.3 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 29% | 0.287 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 174.5 | -162.5 | 165.2 | -178.8 | 167.9 | 0 | 111.1 | A233 L234 K240 K241 Q764 A765 D768 F769 | A233-K237 PolarHBondContact O-N 2.88Å; L234-K237 WeakPolarHBondContact O-CB 3.44Å; L234-K237 PolarHBondContact O-N 3.44Å; L234-K237 VanDerWaalsContact O-N 3.17Å; K237-K240 PolarHBondContact O-N 2.72Å; K237-K241 PolarHBondContact O-N 3.26Å; K237-K241 VanDerWaalsContact O-N 3.15Å; K237-Q764 VanDerWaalsContact NZ-OE1 3.13Å; K237-A765 HydrophobicContact CB-CB 4.03Å; K237-A765 HydrophobicContact CD-CB 3.75Å; K237-D768 WeakPolarHBondContact CE-OD2 3.39Å; K237-D768 IonicContact NZ-OD2 3.2Å; K237-D768 PolarHBondContact NZ-OD2 3.07Å; K237-F769 HydrophobicContact CB-CE2 3.9Å; K237-F769 HydrophobicContact CG-CE2 4.49Å |
| 238 | A | 70.6 | Confident | 71.8 | Confident | 52 Ų | 52 | 59.6 Ų | 59.6 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -48 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L234 K240 K241 E242 | L234-A238 PolarHBondContact O-N 2.9Å; A238-K240 PolarHBondContact O-N 2.97Å; A238-K241 PolarHBondContact O-N 3.05Å; A238-E242 PolarHBondContact O-N 2.81Å |
| 239 | L | 69 | Low | 71.3 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 12% | 0.12 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.2 | -48.6 | 173.5 | 176.6 | 83.1 | 0 | 0 | 0 | 111.1 | M235 K241 E242 Q243 I1119 Q1122 | M235-L239 WeakPolarHBondContact O-CB 3.34Å; M235-L239 PolarHBondContact O-N 2.95Å; L239-K241 PolarHBondContact O-N 2.71Å; L239-E242 CarbonylContact O-C 3.56Å; L239-E242 PolarHBondContact O-N 3.07Å; L239-E242 VanDerWaalsContact O-N 3.07Å; L239-Q243 WeakPolarHBondContact O-CB 3.49Å; L239-Q243 PolarHBondContact O-N 3.33Å; L239-I1119 HydrophobicContact CB-CD1 4.42Å; L239-I1119 HydrophobicContact CB-CG1 4.07Å; L239-I1119 HydrophobicContact CD1-CB 4.33Å; L239-I1119 HydrophobicContact CD1-CG1 4.03Å; L239-I1119 HydrophobicContact CD1-CG2 4.17Å; L239-I1119 HydrophobicContact CD2-CG1 3.85Å; L239-I1119 HydrophobicContact CG-CG1 4.15Å; L239-Q1122 HydrophobicContact CD1-CB 4.17Å |
| 240 | K | 73.3 | Confident | 71 | Confident | 110 Ų | 110 | 58.1 Ų | 58.1 | 48% | 0.478 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | -176.7 | -169.8 | 173.9 | -173.4 | -78.1 | 0 | 110.8 | R236 K237 A238 Q243 E244 F769 | R236-K240 WeakPolarHBondContact O-CB 3.19Å; R236-K240 PolarHBondContact O-N 3.41Å; K237-K240 PolarHBondContact O-N 2.72Å; A238-K240 PolarHBondContact O-N 2.97Å; K240-Q243 PolarHBondContact O-N 3.09Å; K240-E244 IonicContact NZ-OE1 3.99Å; K240-E244 PolarHBondContact NZ-OE1 2.79Å; K240-E244 WeakPolarHBondContact O-CB 3.33Å; K240-E244 VanDerWaalsContact O-CG 3.25Å; K240-E244 WeakPolarHBondContact O-CG 3.21Å; K240-E244 PolarHBondContact O-N 3.31Å; K240-F769 HydrophobicContact CD-CZ 4.45Å |
| 241 | K | 70.9 | Confident | 70.5 | Confident | 135 Ų | 135 | 63.7 Ų | 63.7 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -69.1 | -42.6 | 173.2 | -167.7 | -179.8 | -179.6 | -175.6 | 0 | 113.1 | K237 A238 L239 Q243 E244 I245 | K237-K241 PolarHBondContact O-N 3.26Å; K237-K241 VanDerWaalsContact O-N 3.15Å; A238-K241 PolarHBondContact O-N 3.05Å; L239-K241 PolarHBondContact O-N 2.71Å; K241-Q243 PolarHBondContact O-N 3.04Å; K241-E244 PolarHBondContact O-N 3.47Å; K241-I245 HydrophobicContact CG-CD1 4.1Å; K241-I245 WeakPolarHBondContact O-CB 3.47Å; K241-I245 WeakPolarHBondContact O-CD1 3.47Å; K241-I245 VanDerWaalsContact O-CG1 3.27Å; K241-I245 WeakPolarHBondContact O-CG1 3.46Å; K241-I245 PolarHBondContact O-N 2.91Å |
| 242 | E | 65 | Low | 70.1 | Confident | 71 Ų | 71 | 61 Ų | 61 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -31 | 172.4 | -76.6 | -168.5 | 146.6 | 0 | 0 | 112.1 | A238 L239 R246 K1123 | A238-E242 PolarHBondContact O-N 2.81Å; L239-E242 CarbonylContact O-C 3.56Å; L239-E242 PolarHBondContact O-N 3.07Å; L239-E242 VanDerWaalsContact O-N 3.07Å; E242-R246 WeakPolarHBondContact O-CB 3.27Å; E242-R246 PolarHBondContact O-N 2.73Å; E242-K1123 IonicContact OE1-NZ 3.34Å; E242-K1123 PolarHBondContact OE1-NZ 3.26Å; E242-K1123 IonicContact OE2-NZ 2.99Å |
| 243 | Q | 68.6 | Low | 69.8 | Low | 65 Ų | 65 | 60.6 Ų | 60.6 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -78.4 | -42.2 | 176 | -179.6 | 175.5 | -16.8 | 0 | 0 | 111.8 | L239 K240 K241 I245 R246 D247 | L239-Q243 WeakPolarHBondContact O-CB 3.49Å; L239-Q243 PolarHBondContact O-N 3.33Å; K240-Q243 PolarHBondContact O-N 3.09Å; K241-Q243 PolarHBondContact O-N 3.04Å; Q243-I245 VanDerWaalsContact C-N 3.34Å; Q243-I245 PolarHBondContact O-N 2.7Å; Q243-R246 CarbonylContact O-C 3.58Å; Q243-R246 PolarHBondContact O-N 2.85Å; Q243-R246 VanDerWaalsContact O-N 3.12Å; Q243-D247 WeakPolarHBondContact CG-OD2 3.25Å; Q243-D247 PolarHBondContact NE2-OD2 3.4Å; Q243-D247 VanDerWaalsContact NE2-OD2 3.16Å; Q243-D247 WeakPolarHBondContact O-CB 3.5Å; Q243-D247 PolarHBondContact O-N 3.22Å |
| 244 | E | 70.6 | Confident | 69.8 | Low | 85 Ų | 85 | 60.5 Ų | 60.5 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 174.1 | -75.3 | 159.8 | 170.5 | 0 | 0 | 110.4 | K240 K241 R246 D247 D248 | K240-E244 IonicContact NZ-OE1 3.99Å; K240-E244 PolarHBondContact NZ-OE1 2.79Å; K240-E244 WeakPolarHBondContact O-CB 3.33Å; K240-E244 VanDerWaalsContact O-CG 3.25Å; K240-E244 WeakPolarHBondContact O-CG 3.21Å; K240-E244 PolarHBondContact O-N 3.31Å; K241-E244 PolarHBondContact O-N 3.47Å; E244-R246 VanDerWaalsContact C-N 3.31Å; E244-R246 PolarHBondContact O-N 3.05Å; E244-D247 PolarHBondContact O-N 3.37Å; E244-D248 PolarHBondContact O-N 3.35Å |
| 245 | I | 65.3 | Low | 69.7 | Low | 87 Ų | 87 | 59.5 Ų | 59.5 | 45% | 0.446 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 173.6 | -66.2 | 166.1 | 0 | 0 | 0 | 111.2 | K241 Q243 M249 | K241-I245 HydrophobicContact CG-CD1 4.1Å; K241-I245 WeakPolarHBondContact O-CB 3.47Å; K241-I245 WeakPolarHBondContact O-CD1 3.47Å; K241-I245 VanDerWaalsContact O-CG1 3.27Å; K241-I245 WeakPolarHBondContact O-CG1 3.46Å; K241-I245 PolarHBondContact O-N 2.91Å; Q243-I245 VanDerWaalsContact C-N 3.34Å; Q243-I245 PolarHBondContact O-N 2.7Å; I245-M249 HydrophobicContact CG2-CG 4.44Å; I245-M249 HydrophobicContact CG2-SD 4.3Å; I245-M249 WeakPolarHBondContact O-CB 3.49Å; I245-M249 VanDerWaalsContact O-CG 3.27Å; I245-M249 WeakPolarHBondContact O-CG 3.3Å; I245-M249 PolarHBondContact O-N 2.99Å |
| 246 | R | 64.6 | Low | 69.8 | Low | 17 Ų | 17 | 59.6 Ų | 59.6 | 6% | 0.064 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 178.8 | -171.6 | -156.5 | -51.3 | 141.7 | 7.9 | 112.4 | E242 Q243 E244 D248 M249 I250 Q1122 A1126 | E242-R246 WeakPolarHBondContact O-CB 3.27Å; E242-R246 PolarHBondContact O-N 2.73Å; Q243-R246 CarbonylContact O-C 3.58Å; Q243-R246 PolarHBondContact O-N 2.85Å; Q243-R246 VanDerWaalsContact O-N 3.12Å; E244-R246 VanDerWaalsContact C-N 3.31Å; E244-R246 PolarHBondContact O-N 3.05Å; R246-D248 VanDerWaalsContact C-N 3.28Å; R246-D248 PolarHBondContact O-N 3.28Å; R246-M249 CarbonylContact O-C 3.4Å; R246-M249 PolarHBondContact O-N 3.1Å; R246-I250 HydrophobicContact CG-CD1 3.77Å; R246-I250 HydrophobicContact CG-CG1 4.35Å; R246-I250 WeakPolarHBondContact O-CB 3.36Å; R246-I250 WeakPolarHBondContact O-CD1 3.4Å; R246-I250 WeakPolarHBondContact O-CG1 3.33Å; R246-I250 PolarHBondContact O-N 2.89Å; R246-Q1122 PolarHBondContact NH2-O 3.05Å; R246-A1126 HydrophobicContact CG-CB 4.17Å; R246-A1126 VanDerWaalsContact NE-CB 3.27Å |
| 247 | D | 69.1 | Low | 69.7 | Low | 51 Ų | 51 | 59.5 Ų | 59.5 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -34.4 | -177.5 | -67.9 | -9.1 | 0 | 0 | 0 | 110 | Q243 E244 I250 R251 | Q243-D247 WeakPolarHBondContact CG-OD2 3.25Å; Q243-D247 PolarHBondContact NE2-OD2 3.4Å; Q243-D247 VanDerWaalsContact NE2-OD2 3.16Å; Q243-D247 WeakPolarHBondContact O-CB 3.5Å; Q243-D247 PolarHBondContact O-N 3.22Å; E244-D247 PolarHBondContact O-N 3.37Å; D247-I250 PolarHBondContact O-N 3.33Å; D247-R251 WeakPolarHBondContact O-CD 3.37Å; D247-R251 VanDerWaalsContact O-CG 3.27Å; D247-R251 WeakPolarHBondContact O-CG 3.17Å; D247-R251 PolarHBondContact O-N 3.34Å; D247-R251 VanDerWaalsContact O-N 3.13Å |
| 248 | D | 68.3 | Low | 69.5 | Low | 90 Ų | 90 | 57 Ų | 57 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.8 | -40.3 | 170.5 | -66.3 | -22.5 | 0 | 0 | 0 | 112.5 | E244 R246 I250 R251 S252 | E244-D248 PolarHBondContact O-N 3.35Å; R246-D248 VanDerWaalsContact C-N 3.28Å; R246-D248 PolarHBondContact O-N 3.28Å; D248-I250 VanDerWaalsContact C-N 3.27Å; D248-I250 PolarHBondContact O-N 3.31Å; D248-R251 WeakPolarHBondContact O-CB 3.32Å; D248-R251 PolarHBondContact O-N 3.2Å; D248-R251 IonicContact OD1-CZ 2.98Å; D248-R251 IonicContact OD1-NH1 2.67Å; D248-R251 PolarHBondContact OD1-NH1 3.14Å; D248-S252 PolarHBondContact O-N 3Å |
| 249 | M | 65.6 | Low | 69.7 | Low | 39 Ų | 39 | 54.7 Ų | 54.7 | 19% | 0.192 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.6 | -21.3 | 171.4 | -72.1 | -165.3 | 76.4 | 0 | 0 | 113.9 | I245 R246 S252 L253 L1130 I1133 L1280 | I245-M249 HydrophobicContact CG2-CG 4.44Å; I245-M249 HydrophobicContact CG2-SD 4.3Å; I245-M249 WeakPolarHBondContact O-CB 3.49Å; I245-M249 VanDerWaalsContact O-CG 3.27Å; I245-M249 WeakPolarHBondContact O-CG 3.3Å; I245-M249 PolarHBondContact O-N 2.99Å; R246-M249 CarbonylContact O-C 3.4Å; R246-M249 PolarHBondContact O-N 3.1Å; M249-S252 WeakPolarHBondContact CA-OG 3.31Å; M249-S252 PolarHBondContact O-OG 3Å; M249-L253 WeakPolarHBondContact O-CG 3.32Å; M249-L1130 HydrophobicContact CE-CD1 3.43Å; M249-L1130 VanDerWaalsContact CE-CD1 3.43Å; M249-L1130 HydrophobicContact SD-CD1 3.97Å; M249-I1133 HydrophobicContact CE-CD1 3.81Å; M249-L1280 HydrophobicContact CE-CD1 4.42Å |
| 250 | I | 68.5 | Low | 69.8 | Low | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.7 | -47 | 171.9 | -76.6 | 160 | 0 | 0 | 0 | 109 | R246 D247 D248 S252 L253 M254 A259 M263 L1129 | R246-I250 HydrophobicContact CG-CD1 3.77Å; R246-I250 HydrophobicContact CG-CG1 4.35Å; R246-I250 WeakPolarHBondContact O-CB 3.36Å; R246-I250 WeakPolarHBondContact O-CD1 3.4Å; R246-I250 WeakPolarHBondContact O-CG1 3.33Å; R246-I250 PolarHBondContact O-N 2.89Å; D247-I250 PolarHBondContact O-N 3.33Å; D248-I250 VanDerWaalsContact C-N 3.27Å; D248-I250 PolarHBondContact O-N 3.31Å; I250-S252 PolarHBondContact O-N 2.94Å; I250-L253 PolarHBondContact O-N 3.1Å; I250-L253 VanDerWaalsContact O-N 3.15Å; I250-M254 PolarHBondContact O-N 3.4Å; I250-A259 HydrophobicContact CG2-CB 3.21Å; I250-M263 HydrophobicContact CD1-CE 4.05Å; I250-M263 HydrophobicContact CD1-CG 3.78Å; I250-M263 HydrophobicContact CD1-SD 3.59Å; I250-M263 VanDerWaalsContact CD1-SD 3.59Å; I250-M263 HydrophobicContact CG1-CE 4.16Å; I250-M263 HydrophobicContact CG1-CG 4.49Å; I250-M263 HydrophobicContact CG1-SD 4.35Å; I250-L1129 HydrophobicContact CB-CD2 4.48Å; I250-L1129 HydrophobicContact CD1-CD2 4.26Å; I250-L1129 HydrophobicContact CG1-CD2 3.34Å |
| 251 | R | 68.8 | Low | 69.7 | Low | 118 Ų | 118 | 59.6 Ų | 59.6 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -30.3 | 173.6 | -69.1 | 162.8 | -179.4 | 150.8 | 2.1 | 112.7 | D247 D248 L253 N256 | D247-R251 WeakPolarHBondContact O-CD 3.37Å; D247-R251 VanDerWaalsContact O-CG 3.27Å; D247-R251 WeakPolarHBondContact O-CG 3.17Å; D247-R251 PolarHBondContact O-N 3.34Å; D247-R251 VanDerWaalsContact O-N 3.13Å; D248-R251 WeakPolarHBondContact O-CB 3.32Å; D248-R251 PolarHBondContact O-N 3.2Å; D248-R251 IonicContact OD1-CZ 2.98Å; D248-R251 IonicContact OD1-NH1 2.67Å; D248-R251 PolarHBondContact OD1-NH1 3.14Å; R251-L253 PolarHBondContact O-N 3.5Å; R251-N256 WeakPolarHBondContact CG-OD1 3.4Å; R251-N256 PolarHBondContact NE-OD1 3.11Å |
| 252 | S | 67.6 | Low | 69.7 | Low | 10 Ų | 10 | 53.8 Ų | 53.8 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20 | 177.2 | 77.5 | 0 | 0 | 0 | 0 | 113.8 | D248 M249 I250 T1278 K1279 | D248-S252 PolarHBondContact O-N 3Å; M249-S252 WeakPolarHBondContact CA-OG 3.31Å; M249-S252 PolarHBondContact O-OG 3Å; I250-S252 PolarHBondContact O-N 2.94Å; S252-T1278 WeakPolarHBondContact CB-O 3.32Å; S252-K1279 WeakPolarHBondContact O-CB 3.31Å; S252-K1279 WeakPolarHBondContact O-CD 3Å; S252-K1279 WeakPolarHBondContact O-CG 3.45Å |
| 253 | L | 66.6 | Low | 69.9 | Low | 24 Ų | 24 | 52 Ų | 52 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -40.1 | -177.5 | -56.5 | 174.7 | 0 | 0 | 0 | 114 | M249 I250 R251 L1129 I1133 | M249-L253 WeakPolarHBondContact O-CG 3.32Å; I250-L253 PolarHBondContact O-N 3.1Å; I250-L253 VanDerWaalsContact O-N 3.15Å; R251-L253 PolarHBondContact O-N 3.5Å; L253-L1129 HydrophobicContact CD1-CD1 4.07Å; L253-L1129 HydrophobicContact CD1-CD2 4.34Å; L253-L1129 HydrophobicContact CD1-CG 4.24Å; L253-I1133 HydrophobicContact CD1-CD1 3.69Å; L253-I1133 HydrophobicContact CD1-CG1 3.51Å; L253-I1133 HydrophobicContact CD2-CB 4.16Å; L253-I1133 HydrophobicContact CD2-CD1 3.8Å; L253-I1133 HydrophobicContact CD2-CG1 3.53Å; L253-I1133 HydrophobicContact CD2-CG2 3.61Å; L253-I1133 HydrophobicContact CG-CD1 3.98Å; L253-I1133 HydrophobicContact CG-CG1 3.99Å |
| 254 | M | 75.9 | Confident | 69.8 | Low | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -153.4 | 147.7 | -165.3 | 67.9 | -169.7 | 78 | 0 | 0 | 110 | I250 V258 A259 V262 I518 F524 F526 | I250-M254 PolarHBondContact O-N 3.4Å; M254-V258 HydrophobicContact CB-CB 4.38Å; M254-V258 HydrophobicContact CB-CG1 4.49Å; M254-V258 HydrophobicContact CG-CB 4.43Å; M254-V258 HydrophobicContact SD-CB 4.42Å; M254-V258 HydrophobicContact SD-CG1 4.09Å; M254-A259 HydrophobicContact CG-CB 3.88Å; M254-A259 VanDerWaalsContact SD-CA 3.59Å; M254-A259 HydrophobicContact SD-CB 4.31Å; M254-V262 HydrophobicContact SD-CB 4.42Å; M254-V262 HydrophobicContact SD-CG2 4.24Å; M254-I518 HydrophobicContact CE-CD1 3.98Å; M254-I518 HydrophobicContact SD-CD1 3.85Å; M254-F524 HydrophobicContact CE-CE2 4.06Å; M254-F526 HydrophobicContact CB-CB 3.99Å |
| 255 | P | 75.3 | Confident | 69.5 | Low | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | trans | -59.3 | 152.4 | 178.8 | -25.6 | 35 | 0 | 0 | 0 | 113.4 | Q257 V258 A259 E455 P471 F526 | P255-Q257 PolarHBondContact O-N 2.96Å; P255-V258 PolarHBondContact O-N 2.93Å; P255-V258 VanDerWaalsContact O-N 3.11Å; P255-A259 WeakPolarHBondContact O-CB 3.29Å; P255-A259 PolarHBondContact O-N 2.9Å; P255-E455 HydrophobicContact CG-CG 4.28Å; P255-P471 HydrophobicContact CB-CG 3.55Å; P255-P471 HydrophobicContact CG-CB 4.47Å; P255-P471 HydrophobicContact CG-CG 3.68Å; P255-F526 HydrophobicContact CG-CD1 4.09Å; P255-F526 HydrophobicContact CG-CE1 3.93Å; P255-F526 HydrophobicContact CG-CG 4.48Å; P255-F526 HydrophobicContact CG-CZ 4.19Å | ||
| 256 | N | 71.6 | Confident | 69.2 | Low | 80 Ų | 80 | 52.8 Ų | 52.8 | 43% | 0.428 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -51.7 | -26.8 | -172.3 | -77.8 | -82.4 | 0 | 0 | 0 | 115.7 | R251 Q260 | R251-N256 WeakPolarHBondContact CG-OD1 3.4Å; R251-N256 PolarHBondContact NE-OD1 3.11Å; N256-Q260 WeakPolarHBondContact O-CG 3.49Å; N256-Q260 PolarHBondContact O-N 2.89Å; N256-Q260 PolarHBondContact O-NE2 2.66Å |
| 257 | Q | 72.2 | Confident | 68.8 | Low | 105 Ų | 105 | 53.2 Ų | 53.2 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.3 | -55.9 | 176.4 | -73.5 | 165.5 | -3.3 | 0 | 0 | 111.7 | P255 A259 Q260 E261 N472 | P255-Q257 PolarHBondContact O-N 2.96Å; Q257-A259 PolarHBondContact O-N 2.82Å; Q257-Q260 PolarHBondContact O-N 3.32Å; Q257-E261 PolarHBondContact O-N 2.8Å; Q257-E261 VanDerWaalsContact O-N 3.13Å; Q257-N472 PolarHBondContact NE2-OD1 2.91Å |
| 258 | V | 72.6 | Confident | 68.1 | Low | 13 Ų | 13 | 55.1 Ų | 55.1 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 178.2 | -171 | 0 | 0 | 0 | 0 | 110.4 | M254 P255 Q260 E261 V262 I518 F526 | M254-V258 HydrophobicContact CB-CB 4.38Å; M254-V258 HydrophobicContact CB-CG1 4.49Å; M254-V258 HydrophobicContact CG-CB 4.43Å; M254-V258 HydrophobicContact SD-CB 4.42Å; M254-V258 HydrophobicContact SD-CG1 4.09Å; P255-V258 PolarHBondContact O-N 2.93Å; P255-V258 VanDerWaalsContact O-N 3.11Å; V258-Q260 PolarHBondContact O-N 2.85Å; V258-E261 PolarHBondContact O-N 2.7Å; V258-V262 HydrophobicContact CG1-CG2 4.42Å; V258-V262 WeakPolarHBondContact O-CG2 2.88Å; V258-V262 PolarHBondContact O-N 2.97Å; V258-I518 HydrophobicContact CG1-CD1 3.57Å; V258-I518 HydrophobicContact CG1-CG1 4.11Å; V258-F526 HydrophobicContact CG2-CD2 4.2Å; V258-F526 HydrophobicContact CG2-CE2 3.99Å |
| 259 | A | 74.2 | Confident | 67.3 | Low | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.033 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -51 | -49.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114 | I250 M254 P255 Q257 M263 | I250-A259 HydrophobicContact CG2-CB 3.21Å; M254-A259 HydrophobicContact CG-CB 3.88Å; M254-A259 VanDerWaalsContact SD-CA 3.59Å; M254-A259 HydrophobicContact SD-CB 4.31Å; P255-A259 WeakPolarHBondContact O-CB 3.29Å; P255-A259 PolarHBondContact O-N 2.9Å; Q257-A259 PolarHBondContact O-N 2.82Å; A259-M263 VanDerWaalsContact O-CB 3.27Å; A259-M263 WeakPolarHBondContact O-CB 2.97Å; A259-M263 WeakPolarHBondContact O-CG 3.22Å; A259-M263 PolarHBondContact O-N 2.03Å |
| 260 | Q | 70.7 | Confident | 66.2 | Low | 137 Ų | 137 | 56.8 Ų | 56.8 | 64% | 0.64 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.4 | -34 | -177.9 | -74.3 | 168.9 | 37.2 | 0 | 0 | 112.2 | N256 Q257 V258 R264 | N256-Q260 WeakPolarHBondContact O-CG 3.49Å; N256-Q260 PolarHBondContact O-N 2.89Å; N256-Q260 PolarHBondContact O-NE2 2.66Å; Q257-Q260 PolarHBondContact O-N 3.32Å; V258-Q260 PolarHBondContact O-N 2.85Å; Q260-R264 VanDerWaalsContact O-CB 3.28Å; Q260-R264 WeakPolarHBondContact O-CB 3.42Å; Q260-R264 PolarHBondContact O-N 3.25Å; Q260-R264 VanDerWaalsContact O-N 3.13Å |
| 261 | E | 72.5 | Confident | 64.8 | Low | 100 Ų | 100 | 58.8 Ų | 58.8 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.7 | -53.4 | 175.9 | -171.3 | 151.1 | -140.1 | 0 | 0 | 111.2 | Q257 V258 M263 R264 E265 | Q257-E261 PolarHBondContact O-N 2.8Å; Q257-E261 VanDerWaalsContact O-N 3.13Å; V258-E261 PolarHBondContact O-N 2.7Å; E261-M263 PolarHBondContact O-N 2.93Å; E261-R264 PolarHBondContact O-N 3.06Å; E261-E265 WeakPolarHBondContact O-CG 3.3Å; E261-E265 PolarHBondContact O-N 2.9Å |
| 262 | V | 70.4 | Confident | 63.5 | Low | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | M254 V258 R264 E265 V266 I518 | M254-V262 HydrophobicContact SD-CB 4.42Å; M254-V262 HydrophobicContact SD-CG2 4.24Å; V258-V262 HydrophobicContact CG1-CG2 4.42Å; V258-V262 WeakPolarHBondContact O-CG2 2.88Å; V258-V262 PolarHBondContact O-N 2.97Å; V262-R264 VanDerWaalsContact C-N 3.3Å; V262-R264 PolarHBondContact O-N 3.45Å; V262-E265 PolarHBondContact O-N 3.04Å; V262-V266 PolarHBondContact O-N 2.89Å; V262-V266 VanDerWaalsContact O-N 3.16Å; V262-I518 HydrophobicContact CG2-CD1 4.08Å |
| 263 | M | 68.2 | Low | 61.9 | Low | 34 Ų | 34 | 65.4 Ų | 65.4 | 17% | 0.167 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -32.9 | 179.3 | -76.8 | -66.7 | 120.2 | 0 | 0 | 113.4 | I250 A259 E261 E265 G267 Q1125 L1129 | I250-M263 HydrophobicContact CD1-CE 4.05Å; I250-M263 HydrophobicContact CD1-CG 3.78Å; I250-M263 HydrophobicContact CD1-SD 3.59Å; I250-M263 VanDerWaalsContact CD1-SD 3.59Å; I250-M263 HydrophobicContact CG1-CE 4.16Å; I250-M263 HydrophobicContact CG1-CG 4.49Å; I250-M263 HydrophobicContact CG1-SD 4.35Å; A259-M263 VanDerWaalsContact O-CB 3.27Å; A259-M263 WeakPolarHBondContact O-CB 2.97Å; A259-M263 WeakPolarHBondContact O-CG 3.22Å; A259-M263 PolarHBondContact O-N 2.03Å; E261-M263 PolarHBondContact O-N 2.93Å; M263-E265 VanDerWaalsContact C-N 3.32Å; M263-G267 PolarHBondContact O-N 3.45Å; M263-Q1125 PolarHBondContact O-NE2 3.46Å; M263-Q1125 HydrophobicContact SD-CG 4.28Å; M263-L1129 HydrophobicContact CE-CB 4.48Å; M263-L1129 HydrophobicContact CE-CD1 3.88Å; M263-L1129 HydrophobicContact CE-CD2 3.87Å; M263-L1129 HydrophobicContact CE-CG 4.3Å |
| 264 | R | 67.5 | Low | 60.3 | Low | 193 Ų | 193 | 70.6 Ų | 70.6 | 73% | 0.728 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -69.9 | -30.2 | 176.1 | -179.3 | 176.6 | 177.1 | 175.8 | -2.2 | 112.1 | Q260 E261 V262 N268 | Q260-R264 VanDerWaalsContact O-CB 3.28Å; Q260-R264 WeakPolarHBondContact O-CB 3.42Å; Q260-R264 PolarHBondContact O-N 3.25Å; Q260-R264 VanDerWaalsContact O-N 3.13Å; E261-R264 PolarHBondContact O-N 3.06Å; V262-R264 VanDerWaalsContact C-N 3.3Å; V262-R264 PolarHBondContact O-N 3.45Å; R264-N268 PolarHBondContact O-ND2 3.36Å |
| 265 | E | 63 | Low | 58.3 | Low | 35 Ų | 35 | 76.6 Ų | 76.6 | 16% | 0.164 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -78 | -48 | -179.7 | -68.8 | -178.2 | 163.1 | 0 | 0 | 112.7 | E261 V262 M263 G267 N268 E269 K403 H405 | E261-E265 WeakPolarHBondContact O-CG 3.3Å; E261-E265 PolarHBondContact O-N 2.9Å; V262-E265 PolarHBondContact O-N 3.04Å; M263-E265 VanDerWaalsContact C-N 3.32Å; E265-G267 PolarHBondContact O-N 3.46Å; E265-N268 WeakPolarHBondContact O-CA 3.33Å; E265-N268 WeakPolarHBondContact O-CB 3.41Å; E265-N268 PolarHBondContact O-N 3.12Å; E265-E269 PolarHBondContact O-N 3.37Å; E265-K403 WeakPolarHBondContact OE1-CD 3.34Å; E265-K403 WeakPolarHBondContact OE1-CE 3.02Å; E265-K403 IonicContact OE1-NZ 2.76Å; E265-K403 PolarHBondContact OE1-NZ 2.82Å; E265-H405 IonicContact OE1-CE1 2.73Å; E265-H405 PolarHBondContact OE1-CE1 3.18Å; E265-H405 VanDerWaalsContact OE1-CE1 3.24Å; E265-H405 IonicContact OE1-NE2 2.7Å; E265-H405 IonicContact OE2-CD2 3.85Å; E265-H405 IonicContact OE2-CE1 2.77Å; E265-H405 PolarHBondContact OE2-CE1 3.31Å; E265-H405 IonicContact OE2-NE2 3.71Å; E265-H405 PolarHBondContact OE2-NE2 3.23Å |
| 266 | V | 60.4 | Low | 56.3 | Low | 25 Ų | 25 | 81.2 Ų | 81.2 | 15% | 0.152 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -57.5 | -36.1 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | V262 N268 S270 Q1125 W1128 | V262-V266 PolarHBondContact O-N 2.89Å; V262-V266 VanDerWaalsContact O-N 3.16Å; V266-N268 VanDerWaalsContact C-N 3.3Å; V266-N268 PolarHBondContact O-N 2.85Å; V266-S270 PolarHBondContact O-N 3.15Å; V266-S270 PolarHBondContact O-OG 2.77Å; V266-Q1125 HydrophobicContact CG1-CG 3.87Å; V266-W1128 HydrophobicContact CG2-CE3 4.45Å; V266-W1128 HydrophobicContact CG2-CH2 4.18Å; V266-W1128 HydrophobicContact CG2-CZ3 3.9Å |
| 267 | G | 55.2 | Low | 54.3 | Low | 25 Ų | 25 | 83 Ų | 83 | 26% | 0.258 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.9 | -19.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | M263 E265 | M263-G267 PolarHBondContact O-N 3.45Å; E265-G267 PolarHBondContact O-N 3.46Å |
| 268 | N | 55.7 | Low | 52.4 | Low | 91 Ų | 91 | 83.7 Ų | 83.7 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -90.7 | -40.6 | 174.5 | -72.1 | -21.2 | 0 | 0 | 0 | 112 | R264 E265 V266 S271 | R264-N268 PolarHBondContact O-ND2 3.36Å; E265-N268 WeakPolarHBondContact O-CA 3.33Å; E265-N268 WeakPolarHBondContact O-CB 3.41Å; E265-N268 PolarHBondContact O-N 3.12Å; V266-N268 VanDerWaalsContact C-N 3.3Å; V266-N268 PolarHBondContact O-N 2.85Å; N268-S271 PolarHBondContact O-N 2.92Å; N268-S271 PolarHBondContact O-OG 3.39Å |
| 269 | E | 50 | Low | 50.5 | Low | 138 Ų | 138 | 89.6 Ų | 89.6 | 65% | 0.645 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 179.7 | -67.7 | -168 | 149.2 | 0 | 0 | 111 | E265 S271 I272 | E265-E269 PolarHBondContact O-N 3.37Å; E269-S271 VanDerWaalsContact C-N 3.29Å; E269-S271 PolarHBondContact O-N 2.66Å; E269-I272 WeakPolarHBondContact O-CB 3.33Å; E269-I272 PolarHBondContact O-N 3.36Å; E269-I272 VanDerWaalsContact O-N 3.17Å |
| 270 | S | 42.3 | Very low | 48.3 | Very low | 26 Ų | 26 | 96.9 Ų | 96.9 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -67.2 | -26 | 178.5 | 63.2 | 0 | 0 | 0 | 0 | 113.4 | V266 I272 E273 Y274 H1121 | V266-S270 PolarHBondContact O-N 3.15Å; V266-S270 PolarHBondContact O-OG 2.77Å; S270-I272 VanDerWaalsContact C-N 3.3Å; S270-I272 PolarHBondContact O-N 3.38Å; S270-E273 PolarHBondContact O-N 2.97Å; S270-Y274 WeakPolarHBondContact O-CD2 3.38Å; S270-H1121 PolarHBondContact OG-CE1 2.74Å; S270-H1121 PolarHBondContact OG-NE2 3.32Å |
| 271 | S | 40.9 | Very low | 46.4 | Very low | 53 Ų | 53 | 97.7 Ų | 97.7 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 174.1 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | N268 E269 E273 Y274 | N268-S271 PolarHBondContact O-N 2.92Å; N268-S271 PolarHBondContact O-OG 3.39Å; E269-S271 VanDerWaalsContact C-N 3.29Å; E269-S271 PolarHBondContact O-N 2.66Å; S271-E273 VanDerWaalsContact C-N 3.32Å; S271-E273 PolarHBondContact O-N 2.79Å; S271-Y274 PolarHBondContact O-N 2.65Å |
| 272 | I | 41.1 | Very low | 44.4 | Very low | 121 Ų | 121 | 100.4 Ų | 100.4 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.4 | -31.7 | 179.9 | -61.4 | 166.5 | 0 | 0 | 0 | 111.5 | E269 S270 | E269-I272 WeakPolarHBondContact O-CB 3.33Å; E269-I272 PolarHBondContact O-N 3.36Å; E269-I272 VanDerWaalsContact O-N 3.17Å; S270-I272 VanDerWaalsContact C-N 3.3Å; S270-I272 PolarHBondContact O-N 3.38Å |
| 273 | E | 33.3 | Very low | 42.4 | Very low | 145 Ų | 145 | 108.9 Ų | 108.9 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -78.8 | -24.1 | -179.7 | -160.8 | 171.5 | -141.9 | 0 | 0 | 113.1 | S270 S271 T276 N277 | S270-E273 PolarHBondContact O-N 2.97Å; S271-E273 VanDerWaalsContact C-N 3.32Å; S271-E273 PolarHBondContact O-N 2.79Å; E273-T276 PolarHBondContact O-OG1 2.95Å; E273-N277 PolarHBondContact O-ND2 3.03Å |
| 274 | Y | 34.2 | Very low | 40.4 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 53% | 0.525 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -79.6 | -38.6 | 178.6 | -85.6 | -68.3 | 0 | 0 | 0 | 114.2 | S270 S271 T276 N277 H1121 | S270-Y274 WeakPolarHBondContact O-CD2 3.38Å; S271-Y274 PolarHBondContact O-N 2.65Å; Y274-T276 PolarHBondContact O-N 2.87Å; Y274-N277 PolarHBondContact O-N 2.83Å; Y274-H1121 AromaticContact CD2-CD2 3.91Å; Y274-H1121 AromaticContact CE2-CD2 3.8Å |
| 275 | D | 33.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 119.6 Ų | 119.6 | 68% | 0.679 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.5 | -18.3 | -177.7 | -74.2 | -30 | 0 | 0 | 0 | 113.5 | N277 | D275-N277 VanDerWaalsContact C-N 3.28Å; D275-N277 PolarHBondContact O-N 3.25Å |
| 276 | T | 32.2 | Very low | 36.8 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 2.7 | 177.7 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | E273 Y274 | E273-T276 PolarHBondContact O-OG1 2.95Å; Y274-T276 PolarHBondContact O-N 2.87Å |
| 277 | N | 30.3 | Very low | 35.2 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 63% | 0.631 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -123 | -3 | -166.9 | -81.4 | -77.6 | 0 | 0 | 0 | 117.2 | E273 Y274 D275 | E273-N277 PolarHBondContact O-ND2 3.03Å; Y274-N277 PolarHBondContact O-N 2.83Å; D275-N277 VanDerWaalsContact C-N 3.28Å; D275-N277 PolarHBondContact O-N 3.25Å |
| 278 | D | 33 | Very low | 34 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 64% | 0.642 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -101.8 | -7.9 | -179.1 | -118 | -26 | 0 | 0 | 0 | 114.5 | R806 | D278-R806 IonicContact OD1-NH2 2.6Å; D278-R806 PolarHBondContact OD1-NH2 2.94Å; D278-R806 IonicContact OD2-CZ 3.4Å; D278-R806 IonicContact OD2-NH2 2.62Å; D278-R806 PolarHBondContact OD2-NH2 2.98Å |
| 279 | D | 32.1 | Very low | 32.6 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -98.2 | -11.2 | -174.8 | -80 | -35 | 0 | 0 | 0 | 116.4 | D281 | D279-D281 VanDerWaalsContact C-N 3.26Å; D279-D281 PolarHBondContact O-N 3.44Å |
| 280 | D | 28.7 | Very low | 31.6 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 36.3 | -165.5 | -164.1 | 35.7 | 0 | 0 | 0 | 116 | ||
| 281 | D | 31.3 | Very low | 30.8 | Very low | 155 Ų | 155 | 147 Ų | 147 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 6.5 | -176.2 | -142.7 | 9.4 | 0 | 0 | 0 | 116.9 | D279 | D279-D281 VanDerWaalsContact C-N 3.26Å; D279-D281 PolarHBondContact O-N 3.44Å |
| 282 | D | 29.8 | Very low | 30.2 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -128.4 | -13.2 | 172.3 | -115.7 | -32.7 | 0 | 0 | 0 | 116.9 | R284 | D282-R284 VanDerWaalsContact C-N 3.29Å; D282-R284 PolarHBondContact O-N 3.23Å |
| 283 | H | 27.4 | Very low | 29.5 | Very low | 192 Ų | 192 | 154.4 Ų | 154.4 | 89% | 0.889 | 77% | 0.772 | S | S | * | * | trans | -77.9 | 61 | 178.3 | -79.3 | -49.8 | 0 | 0 | 0 | 115.2 | ||||
| 284 | R | 26.7 | Very low | 29.3 | Very low | 220 Ų | 220 | 157 Ų | 157 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -137.1 | 47.3 | 170.1 | -78.1 | -162.7 | 171.4 | -146.9 | -6.4 | 115.3 | D282 | D282-R284 VanDerWaalsContact C-N 3.29Å; D282-R284 PolarHBondContact O-N 3.23Å | ||
| 285 | R | 26.3 | Very low | 28.8 | Very low | 232 Ų | 232 | 159.2 Ų | 159.2 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -157 | 48.9 | 167 | -127.9 | 173.3 | -170.2 | -169.5 | 0.1 | 119.5 | ||
| 286 | S | 29.6 | Very low | 28.6 | Very low | 118 Ų | 118 | 163.2 Ų | 163.2 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -150.2 | 133.7 | 149.2 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 287 | N | 25.8 | Very low | 28.2 | Very low | 174 Ų | 174 | 164.6 Ų | 164.6 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -147.5 | 84.3 | 167.7 | -166.8 | 1 | 0 | 0 | 0 | 107.5 | ||||
| 288 | G | 30.2 | Very low | 28.1 | Very low | 62 Ų | 62 | 169.1 Ų | 169.1 | 64% | 0.639 | 83% | 0.825 | S | S | * | * | trans | -151.1 | 83.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 289 | K | 26 | Very low | 27.6 | Very low | 200 Ų | 200 | 168.4 Ų | 168.4 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | trans | 1.1 | 115 | 165.2 | -59.5 | 173.2 | -177.8 | 175.8 | 0 | 116.5 | ||||
| 290 | N | 28.8 | Very low | 27.4 | Very low | 167 Ų | 167 | 171.9 Ų | 171.9 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | -153.9 | 142.1 | 122.2 | -116.3 | -23.6 | 0 | 0 | 0 | 113 | |||||
| 291 | K | 25.8 | Very low | 27.3 | Very low | 194 Ų | 194 | 173.1 Ų | 173.1 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -110.8 | 118.8 | 170.2 | -72.1 | 179.6 | 177.4 | 179.2 | 0 | 107.8 | ||||
| 292 | N | 28.3 | Very low | 27 | Very low | 148 Ų | 148 | 170.2 Ų | 170.2 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -166 | 138.6 | 136.3 | -107.8 | -39.3 | 0 | 0 | 0 | 114.7 | ||||
| 293 | K | 26.8 | Very low | 26.9 | Very low | 181 Ų | 181 | 172.3 Ų | 172.3 | 79% | 0.787 | 84% | 0.835 | S | S | * | * | trans | 3.9 | 118.3 | 153.2 | -58.4 | 166.6 | -177.5 | 175 | 0 | 117.4 | ||||
| 294 | H | 29.3 | Very low | 26.9 | Very low | 200 Ų | 200 | 170.4 Ų | 170.4 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | -146.8 | 154.4 | 98.2 | -106.5 | -31.1 | 0 | 0 | 0 | 112.1 | |||||
| 295 | K | 23.6 | Very low | 27 | Very low | 180 Ų | 180 | 169.3 Ų | 169.3 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -146.4 | 116.8 | -176.2 | -177.1 | -179.7 | -175.7 | 178.6 | 0 | 107.1 | ||||
| 296 | K | 28.1 | Very low | 27 | Very low | 212 Ų | 212 | 166.4 Ų | 166.4 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -139.3 | 109.5 | 173.8 | -109.7 | -179.8 | 177.9 | 176.2 | 0 | 109.8 | ||||
| 297 | N | 24.9 | Very low | 26.9 | Very low | 135 Ų | 135 | 168.6 Ų | 168.6 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -68.7 | 152.9 | 176.9 | -55 | -5.1 | 0 | 0 | 0 | 110.2 | ||||
| 298 | K | 28.4 | Very low | 27.1 | Very low | 212 Ų | 212 | 168.1 Ų | 168.1 | 92% | 0.922 | 81% | 0.807 | S | S | * | * | trans | -130.2 | 107.7 | 159.8 | -96.8 | -173.6 | 173.8 | 179.8 | 0 | 110.1 | ||||
| 299 | S | 22.8 | Very low | 27 | Very low | 105 Ų | 105 | 170.7 Ų | 170.7 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -159.7 | 102 | 161.2 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 300 | K | 27.7 | Very low | 27 | Very low | 210 Ų | 210 | 171.3 Ų | 171.3 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | 178.6 | 139.4 | 136.2 | -101.5 | 172.2 | -177 | -174.6 | 0 | 113.4 | ||||
| 301 | Q | 24.9 | Very low | 26.9 | Very low | 183 Ų | 183 | 173 Ų | 173 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -60.1 | 166.1 | 155.5 | -72.2 | 156.1 | -28.2 | 0 | 0 | 110.5 | ||||
| 302 | S | 25.4 | Very low | 26.9 | Very low | 93 Ų | 93 | 167.9 Ų | 167.9 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | cis | -172.5 | 163.9 | -7 | 43 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 303 | H | 27.7 | Very low | 26.9 | Very low | 201 Ų | 201 | 168.3 Ų | 168.3 | 93% | 0.931 | 79% | 0.794 | S | S | * | * | trans | -125.9 | 156.6 | 155.7 | -97.1 | 25.1 | 0 | 0 | 0 | 110.6 | ||||
| 304 | Q | 27.5 | Very low | 26.8 | Very low | 151 Ų | 151 | 165.1 Ų | 165.1 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -151.6 | 160 | -158.7 | -167.6 | -160.3 | 74.4 | 0 | 0 | 110.6 | ||||
| 305 | R | 29 | Very low | 26.5 | Very low | 197 Ų | 197 | 163.9 Ų | 163.9 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | trans | 92 | 145.8 | 165.8 | -54.3 | 175.5 | 175.7 | -169.9 | -0.8 | 115.2 | ||||
| 306 | K | 26.1 | Very low | 26.7 | Very low | 172 Ų | 172 | 160.3 Ų | 160.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | -165 | 168.8 | -13.7 | -115.2 | 177.7 | 179.6 | -174.4 | 0 | 109.9 | ||||
| 307 | L | 28.2 | Very low | 26.6 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 111.1 | 147.7 | 164 | -64.3 | 160.2 | 0 | 0 | 0 | 114.6 | ||||
| 308 | K | 29 | Very low | 26.5 | Very low | 164 Ų | 164 | 156 Ų | 156 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | -168 | 142.3 | -50.2 | -127.2 | -167 | 166.5 | -116.1 | 0 | 109.7 | |||||
| 309 | D | 27.9 | Very low | 26.4 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | trans | 37.1 | 118.3 | 153 | -44.3 | -21.4 | 0 | 0 | 0 | 122.3 | ||||
| 310 | K | 27.4 | Very low | 26.6 | Very low | 213 Ų | 213 | 155.1 Ų | 155.1 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | -169.1 | 160.9 | 109.8 | -105.6 | 174.2 | -177.6 | -179.1 | 0 | 114.7 | |||||
| 311 | K | 26.5 | Very low | 26.4 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -85.8 | 172.4 | 178.9 | -45.3 | 172.7 | 174.6 | 179.7 | 0 | 110.5 | ||||
| 312 | S | 25.3 | Very low | 26.5 | Very low | 87 Ų | 87 | 148 Ų | 148 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | cis | -151.8 | -152.1 | -3.9 | 9.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 313 | H | 28.1 | Very low | 26.5 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | cis | -158.2 | 170.4 | 18.6 | -103.1 | -69.8 | 0 | 0 | 0 | 112.2 | ||||
| 314 | N | 25.8 | Very low | 26.3 | Very low | 113 Ų | 113 | 149.9 Ų | 149.9 | 60% | 0.604 | 77% | 0.77 | S | S | * | * | trans | 20.9 | 119.4 | 149.4 | -63.1 | 51.8 | 0 | 0 | 0 | 120.1 | ||||
| 315 | E | 23.1 | Very low | 26.2 | Very low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 98.1 | 117.3 | 76.3 | -81.2 | -179.3 | 138.4 | 0 | 0 | 113.4 | |||||
| 316 | A | 28 | Very low | 26 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -171.1 | 154.8 | 145.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 317 | N | 24.8 | Very low | 26 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -116.6 | 159.5 | -171.6 | -113.9 | -32.1 | 0 | 0 | 0 | 113.5 | ||||
| 318 | S | 23.3 | Very low | 25.7 | Very low | 98 Ų | 98 | 148.1 Ų | 148.1 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | 87.2 | 134.4 | 147.2 | 80.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 319 | I | 25.4 | Very low | 25.4 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 64.9 | 107.8 | 145.8 | -58.6 | 155.8 | 0 | 0 | 0 | 119.3 | ||||
| 320 | N | 26.9 | Very low | 25.3 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | -160 | 103 | 113.5 | -117.8 | -50 | 0 | 0 | 0 | 111.9 | |||||
| 321 | L | 23.5 | Very low | 25.2 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 95% | 0.948 | 78% | 0.782 | S | S | * | * | trans | -100.6 | 73.5 | 173.2 | -146 | 84.7 | 0 | 0 | 0 | 109.5 | ||||
| 322 | G | 27.4 | Very low | 25.1 | Very low | 63 Ų | 63 | 141.2 Ų | 141.2 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | -80.3 | 126.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.4 | N324 | G322-N324 PolarHBondContact O-N 3.49Å; G322-N324 VanDerWaalsContact O-N 3.15Å | ||
| 323 | E | 25 | Very low | 25.2 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -60.9 | 114.7 | 179.3 | -65.1 | -176.8 | 116.3 | 0 | 0 | 111.9 | ||||
| 324 | N | 25.2 | Very low | 25 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -157 | 98.5 | 161.7 | -108.6 | -86.7 | 0 | 0 | 0 | 108.4 | G322 K326 | G322-N324 PolarHBondContact O-N 3.49Å; G322-N324 VanDerWaalsContact O-N 3.15Å; N324-K326 PolarHBondContact O-N 2.99Å | ||
| 325 | F | 24.9 | Very low | 25.1 | Very low | 217 Ų | 217 | 140.9 Ų | 140.9 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | trans | -73.9 | 63.8 | -178.9 | -118.3 | -83.2 | 0 | 0 | 0 | 111.9 | I327 | F325-I327 PolarHBondContact O-N 2.88Š| ||
| 326 | K | 23.7 | Very low | 25.3 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -63.9 | 122.3 | 166 | -79.3 | -177.9 | 176.1 | 172.8 | 0 | 108.7 | N324 S328 | N324-K326 PolarHBondContact O-N 2.99Å; K326-S328 PolarHBondContact O-N 3.32Å | ||
| 327 | I | 25.8 | Very low | 25.2 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -74.2 | 74.8 | 168.8 | -53.9 | 177.5 | 0 | 0 | 0 | 108.2 | F325 | F325-I327 PolarHBondContact O-N 2.88Š|
| 328 | S | 22.1 | Very low | 25.2 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -145.6 | 57.1 | 178.3 | 61.9 | 0 | 0 | 0 | 0 | 109.2 | K326 | K326-S328 PolarHBondContact O-N 3.32Š| ||
| 329 | G | 23.3 | Very low | 25.3 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -148.3 | 19.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 330 | L | 25.8 | Very low | 25.3 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -100.3 | 123.9 | 159.1 | -91.3 | 129.8 | 0 | 0 | 0 | 107.5 | Y332 | L330-Y332 PolarHBondContact O-N 2.68Š|
| 331 | S | 24.9 | Very low | 25.4 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -65.9 | 111.7 | 168.9 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | I333 | S331-I333 PolarHBondContact O-N 2.83Š| ||
| 332 | Y | 25.1 | Very low | 25.5 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 82% | 0.82 | 81% | 0.805 | S | S | * | * | trans | -65.2 | 102.5 | 167.8 | -76.1 | -100.1 | 0 | 0 | 0 | 108.3 | L330 | L330-Y332 PolarHBondContact O-N 2.68Š| ||
| 333 | I | 26.5 | Very low | 25.5 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | -62.7 | 131.6 | 150.6 | -64.6 | 176.7 | 0 | 0 | 0 | 105.4 | S331 D335 | S331-I333 PolarHBondContact O-N 2.83Å; I333-D335 PolarHBondContact O-N 2.6Å | ||
| 334 | G | 24.5 | Very low | 25.8 | Very low | 66 Ų | 66 | 151.4 Ų | 151.4 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | -89.1 | 101 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 335 | D | 27 | Very low | 25.9 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -58.9 | 139.5 | 169.4 | -47.6 | -43.6 | 0 | 0 | 0 | 109.7 | I333 | I333-D335 PolarHBondContact O-N 2.6Š| ||
| 336 | E | 27.7 | Very low | 26.2 | Very low | 193 Ų | 193 | 151.3 Ų | 151.3 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -69.6 | 157.8 | -169.1 | -66.9 | -166.6 | 112.3 | 0 | 0 | 113.6 | D338 | E336-D338 PolarHBondContact O-N 3.23Š| ||
| 337 | V | 26.2 | Very low | 26.4 | Very low | 130 Ų | 130 | 149.8 Ų | 149.8 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -89.5 | 92.8 | -169.6 | -178.1 | 0 | 0 | 0 | 0 | 111 | S339 | V337-S339 PolarHBondContact O-N 3.49Å; V337-S339 VanDerWaalsContact O-N 3.14Å | ||
| 338 | D | 25.6 | Very low | 26.6 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -69.4 | 104.1 | 162.5 | -85 | -26.3 | 0 | 0 | 0 | 110.6 | E336 | E336-D338 PolarHBondContact O-N 3.23Š| ||
| 339 | S | 25 | Very low | 27 | Very low | 105 Ų | 105 | 152.5 Ų | 152.5 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -112.6 | 75.1 | 175.8 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | V337 | V337-S339 PolarHBondContact O-N 3.49Å; V337-S339 VanDerWaalsContact O-N 3.14Å | ||
| 340 | E | 25.8 | Very low | 27.1 | Very low | 187 Ų | 187 | 158.9 Ų | 158.9 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -108.4 | 101.5 | 165.6 | -69.2 | -161.7 | 154.9 | 0 | 0 | 110.6 | ||||
| 341 | D | 28.3 | Very low | 27.3 | Very low | 171 Ų | 171 | 156.3 Ų | 156.3 | 91% | 0.914 | 82% | 0.817 | S | S | * | * | trans | -166.8 | 47.7 | 164.1 | -114.2 | -20 | 0 | 0 | 0 | 110.9 | ||||
| 342 | E | 25.7 | Very low | 27.6 | Very low | 199 Ų | 199 | 156.2 Ų | 156.2 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -127.9 | 101.5 | 166.7 | -82.7 | -157.2 | 173 | 0 | 0 | 111.8 | ||||
| 343 | D | 28.1 | Very low | 27.9 | Very low | 139 Ų | 139 | 153.3 Ų | 153.3 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | trans | -171.4 | 102.6 | 133.2 | -142.1 | -19.7 | 0 | 0 | 0 | 110.7 | ||||
| 344 | E | 30.5 | Very low | 28 | Very low | 202 Ų | 202 | 149.4 Ų | 149.4 | 94% | 0.944 | 82% | 0.815 | S | S | * | * | trans | -155 | 132.5 | 136.5 | -129.9 | 174.2 | -163.1 | 0 | 0 | 112.2 | ||||
| 345 | R | 28 | Very low | 28.3 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 73% | 0.725 | 82% | 0.82 | S | S | * | * | trans | -85.8 | 169.6 | -153.8 | -68.1 | 172.4 | 166.8 | -157 | -5.6 | 116.5 | ||||
| 346 | Q | 30.7 | Very low | 28.4 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | trans | 73.8 | 143.3 | 151.8 | -73.2 | 157.8 | 2.1 | 0 | 0 | 116.9 | ||||
| 347 | T | 26.9 | Very low | 28.4 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | cis | -150 | 165.9 | 2.9 | 6 | 0 | 0 | 0 | 0 | 111 | ||||
| 348 | P | 31.1 | Very low | 28.5 | Very low | 116 Ų | 116 | 150.5 Ų | 150.5 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -106 | 161.3 | -163.2 | 39.9 | -36.4 | 0 | 0 | 0 | 117.1 | ||||
| 349 | K | 29.5 | Very low | 28.7 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -154.3 | 124 | 152.6 | -91.4 | 159.1 | -173.1 | 176.9 | 0 | 106.5 | ||||
| 350 | K | 25.5 | Very low | 28.9 | Very low | 213 Ų | 213 | 153.4 Ų | 153.4 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | cis | 71.4 | 97 | 45.1 | -88.6 | -162.4 | 173.2 | -174 | 0 | 116.4 | ||||
| 351 | A | 30.7 | Very low | 29.4 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -174.5 | 151.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 352 | S | 30.4 | Very low | 29.2 | Very low | 105 Ų | 105 | 148.6 Ų | 148.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | cis | 178.6 | 128.7 | -23.6 | 52.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 353 | V | 31.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 150.8 Ų | 150.8 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | 169.1 | 150 | 79.1 | 169.8 | 0 | 0 | 0 | 0 | 104.6 | |||||
| 354 | G | 29.4 | Very low | 29.2 | Very low | 61 Ų | 61 | 151.7 Ų | 151.7 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | cis | 160.7 | 179.2 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 355 | S | 30 | Very low | 29 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | 74.9 | 137 | 169.8 | -151.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 356 | N | 29.6 | Very low | 29.1 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | cis | -162.8 | 161.5 | -16.5 | -112 | 0.3 | 0 | 0 | 0 | 112.1 | ||||
| 357 | C | 28.2 | Very low | 28.9 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 63.2 | 157.6 | 165.8 | -62.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 358 | E | 28.9 | Very low | 29 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | cis | -139.2 | -165.3 | 7.6 | -149.1 | 159.7 | -159.7 | 0 | 0 | 113 | ||||
| 359 | Q | 29.3 | Very low | 28.8 | Very low | 163 Ų | 163 | 151.8 Ų | 151.8 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -124.4 | 137 | -153.7 | -68 | 177.7 | -49.3 | 0 | 0 | 118.2 | ||||
| 360 | Q | 28.1 | Very low | 28.7 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 63.9 | 179.1 | 133.6 | -66.8 | -165.7 | -31 | 0 | 0 | 120.5 | ||||
| 361 | P | 37.5 | Very low | 28.7 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 63% | 0.63 | 79% | 0.793 | S | S | * | * | -141.8 | 170.2 | -66.7 | 44.2 | -28.7 | 0 | 0 | 0 | 117.6 | |||||
| 362 | I | 24.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | trans | 47.7 | 124.3 | 141.8 | -62.9 | 160.8 | 0 | 0 | 0 | 121 | ||||
| 363 | R | 26.8 | Very low | 28.5 | Very low | 244 Ų | 244 | 144.5 Ų | 144.5 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | -158.7 | 153.2 | 126.7 | -118.9 | -178.5 | -172.6 | -177.4 | 1.7 | 115.6 | |||||
| 364 | Q | 25.4 | Very low | 28.2 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -112.3 | 168.2 | 166 | -93.6 | -178.9 | -101.4 | 0 | 0 | 107.1 | ||||
| 365 | D | 26.7 | Very low | 28.1 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | cis | -143.2 | 176.7 | -2.8 | -86.1 | -45.6 | 0 | 0 | 0 | 106.8 | ||||
| 366 | D | 29.8 | Very low | 27.9 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -166.2 | 150.5 | 144.8 | -102.1 | -29.2 | 0 | 0 | 0 | 111.7 | ||||
| 367 | L | 27 | Very low | 27.8 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -160.2 | 109.2 | -161.6 | -161.2 | 177.6 | 0 | 0 | 0 | 113.7 | ||||
| 368 | E | 28.8 | Very low | 27.8 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -171.7 | -178.3 | 164.7 | -118.6 | 172.7 | -154.3 | 0 | 0 | 112.8 | ||||
| 369 | M | 26.7 | Very low | 28 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | -150 | 147.8 | -90.7 | -167.9 | -169.8 | -49.6 | 0 | 0 | 113.2 | |||||
| 370 | G | 28.4 | Very low | 27.7 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 86.7 | 175.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 371 | L | 25.1 | Very low | 27.7 | Very low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | cis | -173.6 | 155.8 | -32.8 | -115.9 | 169.3 | 0 | 0 | 0 | 109.5 | ||||
| 372 | G | 27.8 | Very low | 27.2 | Very low | 63 Ų | 63 | 137.7 Ų | 137.7 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | trans | 103.8 | 128.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 373 | I | 29.6 | Very low | 27.4 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | cis | 103.1 | 147.1 | 28 | -62.3 | 170.6 | 0 | 0 | 0 | 112.8 | ||||
| 374 | S | 25.2 | Very low | 27.2 | Very low | 92 Ų | 92 | 134.4 Ų | 134.4 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -83.7 | -175.1 | -168.7 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 375 | D | 26.3 | Very low | 27.4 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | cis | -163.2 | 168.7 | 28.2 | -129.1 | -48.7 | 0 | 0 | 0 | 116.2 | ||||
| 376 | A | 26 | Very low | 27.4 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | 38.8 | 139 | 153 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 377 | G | 28.6 | Very low | 27.3 | Very low | 84 Ų | 84 | 134.1 Ų | 134.1 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -173.2 | 133.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 378 | S | 27.3 | Very low | 27.4 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -131.6 | 172.1 | -173.5 | -149.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 379 | P | 33.4 | Very low | 27.5 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -145.6 | 173.5 | 14.1 | 43.9 | -23.5 | 0 | 0 | 0 | 119.6 | ||||
| 380 | C | 22.5 | Very low | 27.6 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 17.6 | 122.3 | 148.2 | -159.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 381 | S | 28 | Very low | 27.7 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | 178.3 | 145.1 | 108 | -165.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 382 | Q | 26.3 | Very low | 28.1 | Very low | 175 Ų | 175 | 128.3 Ų | 128.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 0.5 | 127.8 | 164 | -61.5 | 175.6 | -17.1 | 0 | 0 | 122.4 | ||||
| 383 | K | 29.6 | Very low | 28.1 | Very low | 214 Ų | 214 | 130.6 Ų | 130.6 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | -155.3 | 150.7 | 112.4 | -123 | 173.5 | -175.1 | 174.4 | 0 | 112.5 | |||||
| 384 | C | 23.3 | Very low | 28.1 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -96.5 | 149.4 | -170.9 | -52.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 385 | S | 29.7 | Very low | 28.4 | Very low | 119 Ų | 119 | 129 Ų | 129 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -149 | 153.6 | 135.3 | 70.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 386 | L | 26.4 | Very low | 28.6 | Very low | 156 Ų | 156 | 127 Ų | 127 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -97.3 | 137.8 | -175.3 | -62.4 | 82 | 0 | 0 | 0 | 110.6 | ||||
| 387 | M | 27.2 | Very low | 29.1 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 86% | 0.862 | 80% | 0.796 | S | S | * | * | -158.7 | 127.5 | 129.6 | -77.1 | -143.5 | 88.1 | 0 | 0 | 109 | K389 | M387-K389 PolarHBondContact O-N 2.91Š| |||
| 388 | P | 30 | Very low | 29.4 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -69.4 | 126.5 | 168 | 29.5 | -31.9 | 0 | 0 | 0 | 108.9 | A390 | P388-A390 PolarHBondContact O-N 2.82Š| ||
| 389 | K | 30.7 | Very low | 30.4 | Very low | 206 Ų | 206 | 133.6 Ų | 133.6 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -65.7 | 109.6 | 166.9 | -78.4 | 178.9 | 177.1 | 172.7 | 0 | 107.5 | M387 A391 | M387-K389 PolarHBondContact O-N 2.91Å; K389-A391 PolarHBondContact O-N 3.09Å | ||
| 390 | A | 28.6 | Very low | 31.7 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -49.7 | 129.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P388 V392 | P388-A390 PolarHBondContact O-N 2.82Å; A390-V392 PolarHBondContact O-N 2.91Å | ||
| 391 | A | 30.2 | Very low | 33.9 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -57.4 | 124.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | K389 V393 | K389-A391 PolarHBondContact O-N 3.09Å; A391-V393 PolarHBondContact O-N 2.73Å | ||
| 392 | V | 32.7 | Very low | 36.1 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | trans | -72.6 | 84.3 | 173.1 | -179 | 0 | 0 | 0 | 0 | 106.8 | A390 | A390-V392 PolarHBondContact O-N 2.91Š| ||
| 393 | V | 28.4 | Very low | 38.2 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 120.7 | 163 | -177 | 0 | 0 | 0 | 0 | 105.2 | A391 | A391-V393 PolarHBondContact O-N 2.73Š|
| 394 | P | 29.8 | Very low | 40.2 | Very low | 99 Ų | 99 | 121 Ų | 121 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 140.4 | 173.8 | 26.6 | -33.6 | 0 | 0 | 0 | 107.2 | S396 | P394-S396 PolarHBondContact O-N 3.22Š|
| 395 | P | 31 | Very low | 42.8 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 80% | 0.799 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 119.5 | -174.8 | 20.8 | -32.9 | 0 | 0 | 0 | 108.4 | R397 | P395-R397 PolarHBondContact O-N 2.86Å; P395-R397 VanDerWaalsContact O-N 3.11Å |
| 396 | S | 31.9 | Very low | 45.4 | Very low | 105 Ų | 105 | 112 Ų | 112 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 124.5 | -177.4 | 34.7 | 0 | 0 | 0 | 0 | 107 | P394 A398 | P394-S396 PolarHBondContact O-N 3.22Å; S396-A398 VanDerWaalsContact C-N 3.28Å; S396-A398 PolarHBondContact O-N 3.42Å |
| 397 | R | 34.8 | Very low | 48.2 | Very low | 240 Ų | 240 | 109.2 Ų | 109.2 | 91% | 0.906 | 62% | 0.62 | S | S | * | * | trans | -60.7 | 93.8 | -167.9 | -177.5 | -179.9 | -175.2 | 166.8 | -0.8 | 107.8 | P395 V399 | P395-R397 PolarHBondContact O-N 2.86Å; P395-R397 VanDerWaalsContact O-N 3.11Å; R397-V399 PolarHBondContact O-N 2.88Å | ||
| 398 | A | 35.1 | Very low | 51.1 | Low | 89 Ų | 89 | 104.3 Ų | 104.3 | 74% | 0.736 | 60% | 0.596 | S | S | * | * | trans | -55.1 | 115.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | S396 A400 | S396-A398 VanDerWaalsContact C-N 3.28Å; S396-A398 PolarHBondContact O-N 3.42Å; A398-A400 PolarHBondContact O-N 3.24Å | ||
| 399 | V | 48.1 | Very low | 53.9 | Low | 108 Ų | 108 | 100.1 Ų | 100.1 | 66% | 0.655 | 57% | 0.567 | S | S | * | * | trans | -63.6 | 109.1 | 177.5 | -179.8 | 0 | 0 | 0 | 0 | 104.6 | R397 F401 | R397-V399 PolarHBondContact O-N 2.88Å; V399-F401 VanDerWaalsContact C-N 3.34Å; V399-F401 PolarHBondContact O-N 3.47Å | ||
| 400 | A | 60.9 | Low | 56.8 | Low | 93 Ų | 93 | 96.7 Ų | 96.7 | 77% | 0.769 | 55% | 0.554 | S | S | * | * | trans | -70.5 | 98.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | A398 R402 | A398-A400 PolarHBondContact O-N 3.24Å; A400-R402 PolarHBondContact O-N 2.81Å | ||
| 401 | F | 68.9 | Low | 59.9 | Low | 118 Ų | 118 | 96.9 Ų | 96.9 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -47 | 138.6 | 176.2 | -71.5 | -78.4 | 0 | 0 | 0 | 110.1 | V399 R1181 E1185 | V399-F401 VanDerWaalsContact C-N 3.34Å; V399-F401 PolarHBondContact O-N 3.47Å; F401-R1181 HydrophobicContact CD1-CG 4.11Å; F401-R1181 HydrophobicContact CG-CG 4.45Å; F401-E1185 WeakPolarHBondContact CA-OE1 3.43Å; F401-E1185 HydrophobicContact CD1-CG 3.75Å; F401-E1185 HydrophobicContact CE1-CG 4.18Å |
| 402 | R | 75.3 | Confident | 63.1 | Low | 83 Ų | 83 | 92.8 Ų | 92.8 | 31% | 0.313 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 147.2 | 173.3 | -64.9 | 171.4 | 172.7 | 111 | -17.1 | 108.3 | A400 F404 E1185 A1188 D1189 | A400-R402 PolarHBondContact O-N 2.81Å; R402-F404 PolarHBondContact O-N 2.9Å; R402-E1185 WeakPolarHBondContact CB-OE1 3Å; R402-E1185 VanDerWaalsContact CD-OE2 3.23Å; R402-E1185 WeakPolarHBondContact CD-OE2 3.41Å; R402-E1185 WeakPolarHBondContact CG-OE2 3.34Å; R402-E1185 IonicContact CZ-OE2 2.79Å; R402-E1185 PolarHBondContact N-OE1 2.73Å; R402-E1185 IonicContact NE-OE2 3.25Å; R402-E1185 IonicContact NH1-OE2 3.17Å; R402-E1185 PolarHBondContact NH1-OE2 2.76Å; R402-A1188 VanDerWaalsContact CD-CB 3.43Å; R402-D1189 IonicContact CZ-OD1 3Å; R402-D1189 VanDerWaalsContact CZ-OD1 3.22Å; R402-D1189 IonicContact NH1-OD1 3.72Å; R402-D1189 PolarHBondContact NH1-OD1 2.9Å; R402-D1189 IonicContact NH2-OD1 2.74Å; R402-D1189 PolarHBondContact NH2-OD1 3.44Å |
| 403 | K | 69 | Low | 66.1 | Low | 150 Ų | 150 | 86.2 Ų | 86.2 | 65% | 0.652 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 134.5 | -178 | -138.6 | 173.4 | -175.7 | -171.8 | 0 | 109.5 | E265 | E265-K403 WeakPolarHBondContact OE1-CD 3.34Å; E265-K403 WeakPolarHBondContact OE1-CE 3.02Å; E265-K403 IonicContact OE1-NZ 2.76Å; E265-K403 PolarHBondContact OE1-NZ 2.82Å |
| 404 | F | 72.7 | Confident | 69.4 | Low | 18 Ų | 18 | 81 Ų | 81 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | trans | -140.8 | 121.1 | -165.4 | 177 | -128.6 | 0 | 0 | 0 | 109.3 | R402 V406 I518 V519 L1180 R1181 N1184 | R402-F404 PolarHBondContact O-N 2.9Å; F404-V406 HydrophobicContact CD1-CG2 3.81Å; F404-V406 HydrophobicContact CE1-CB 4.27Å; F404-V406 HydrophobicContact CE1-CG1 3.88Å; F404-V406 HydrophobicContact CE1-CG2 3.37Å; F404-V406 HydrophobicContact CE2-CG1 3.8Å; F404-V406 HydrophobicContact CZ-CB 4.2Å; F404-V406 HydrophobicContact CZ-CG1 3.32Å; F404-V406 HydrophobicContact CZ-CG2 3.79Å; F404-I518 WeakPolarHBondContact CD2-O 3.3Å; F404-I518 WeakPolarHBondContact CE2-O 3.47Å; F404-V519 HydrophobicContact CE2-CG2 3.67Å; F404-V519 HydrophobicContact CZ-CG2 4.27Å; F404-L1180 HydrophobicContact CE1-CB 4Å; F404-L1180 HydrophobicContact CZ-CB 3.58Å; F404-R1181 HydrophobicContact CD1-CB 3.69Å; F404-R1181 HydrophobicContact CD1-CG 3.93Å; F404-R1181 HydrophobicContact CE1-CB 3.88Å; F404-R1181 HydrophobicContact CG-CG 4.5Å; F404-N1184 HydrophobicContact CD2-CB 3.97Å; F404-N1184 HydrophobicContact CE2-CB 4.1Å | ||
| 405 | H | 77.7 | Confident | 72.6 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 100.9 | -169.2 | -71.8 | -61 | 0 | 0 | 0 | 110 | E265 G517 I518 | E265-H405 IonicContact OE1-CE1 2.73Å; E265-H405 PolarHBondContact OE1-CE1 3.18Å; E265-H405 VanDerWaalsContact OE1-CE1 3.24Å; E265-H405 IonicContact OE1-NE2 2.7Å; E265-H405 IonicContact OE2-CD2 3.85Å; E265-H405 IonicContact OE2-CE1 2.77Å; E265-H405 PolarHBondContact OE2-CE1 3.31Å; E265-H405 IonicContact OE2-NE2 3.71Å; E265-H405 PolarHBondContact OE2-NE2 3.23Å; H405-G517 CarbonylContact O-C 3.49Å; H405-G517 WeakPolarHBondContact O-CA 3.25Å; H405-I518 PolarHBondContact O-N 3.31Å |
| 406 | V | 83.6 | Confident | 75.8 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 138.5 | 175.5 | -83 | 0 | 0 | 0 | 0 | 111.4 | F404 I515 C516 Q1177 L1180 | F404-V406 HydrophobicContact CD1-CG2 3.81Å; F404-V406 HydrophobicContact CE1-CB 4.27Å; F404-V406 HydrophobicContact CE1-CG1 3.88Å; F404-V406 HydrophobicContact CE1-CG2 3.37Å; F404-V406 HydrophobicContact CE2-CG1 3.8Å; F404-V406 HydrophobicContact CZ-CB 4.2Å; F404-V406 HydrophobicContact CZ-CG1 3.32Å; F404-V406 HydrophobicContact CZ-CG2 3.79Å; V406-I515 HydrophobicContact CB-CG2 3.83Å; V406-I515 HydrophobicContact CG1-CG2 3.89Å; V406-C516 WeakPolarHBondContact CA-O 3.21Å; V406-Q1177 HydrophobicContact CG2-CB 4.27Å; V406-Q1177 HydrophobicContact CG2-CG 4.18Å; V406-L1180 HydrophobicContact CG1-CD1 4.46Å |
| 407 | N | 85 | Confident | 78.9 | Confident | 96 Ų | 96 | 65.9 Ų | 65.9 | 51% | 0.513 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 139.8 | 168.2 | -72.3 | -47.3 | 0 | 0 | 0 | 108.9 | I515 C516 | N407-I515 WeakPolarHBondContact O-CA 3.31Å; N407-C516 PolarHBondContact N-O 3.1Å; N407-C516 PolarHBondContact O-N 3.42Å |
| 408 | Q | 88 | Confident | 81.7 | Confident | 73 Ų | 73 | 55.6 Ų | 55.6 | 34% | 0.341 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 136.9 | 169.5 | -175.6 | -174.6 | -10.3 | 0 | 0 | 109 | G1175 | Q408-G1175 VanDerWaalsContact OE1-CA 3.31Å |
| 409 | L | 90.4 | Very high | 84.5 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.141 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 151.7 | 177.3 | -63.9 | 172.4 | 0 | 0 | 0 | 109.9 | V412 C470 P471 P473 K513 V514 | L409-V412 HydrophobicContact CB-CG2 3.63Å; L409-V412 HydrophobicContact CD1-CG2 4.49Å; L409-C470 HydrophobicContact CD1-CB 3.79Å; L409-P471 WeakPolarHBondContact CD1-O 3.27Å; L409-P473 HydrophobicContact CD2-CG 4.29Å; L409-K513 CarbonylContact O-C 3.44Å; L409-K513 VanDerWaalsContact O-CA 3.31Å; L409-K513 WeakPolarHBondContact O-CA 3.37Å; L409-V514 PolarHBondContact N-O 2.86Å; L409-V514 PolarHBondContact O-N 3.22Å |
| 410 | E | 91 | Very high | 86.6 | Confident | 134 Ų | 134 | 48.7 Ų | 48.7 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 159.5 | 174.9 | -63.1 | -176.5 | 167.2 | 0 | 0 | 109.2 | V412 K513 | E410-V412 VanDerWaalsContact C-N 3.33Å; E410-V412 PolarHBondContact O-N 2.78Å; E410-K513 HydrophobicContact CG-CB 4.39Å |
| 411 | N | 93.7 | Very high | 87.9 | Confident | 91 Ų | 91 | 45.8 Ų | 45.8 | 49% | 0.487 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.3 | 47.5 | -174.5 | -55.5 | -39.5 | 0 | 0 | 0 | 112.4 | H477 G512 | N411-H477 PolarHBondContact O-CD2 3.41Å; N411-H477 PolarHBondContact O-CE1 2.92Å; N411-H477 VanDerWaalsContact O-CG 3.26Å; N411-H477 PolarHBondContact O-ND1 2.97Å; N411-G512 PolarHBondContact N-O 2.85Å; N411-G512 VanDerWaalsContact N-O 3.09Å |
| 412 | V | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 131.8 | 171.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | L409 E410 V414 V467 S468 C470 T511 G512 V514 | L409-V412 HydrophobicContact CB-CG2 3.63Å; L409-V412 HydrophobicContact CD1-CG2 4.49Å; E410-V412 VanDerWaalsContact C-N 3.33Å; E410-V412 PolarHBondContact O-N 2.78Å; V412-V414 HydrophobicContact CG1-CG2 4.33Å; V412-V467 HydrophobicContact CG1-CB 4.14Å; V412-V467 HydrophobicContact CG1-CG1 4.5Å; V412-S468 WeakPolarHBondContact CA-O 3.48Å; V412-S468 WeakPolarHBondContact CG1-O 3.44Å; V412-C470 HydrophobicContact CG1-CB 3.67Å; V412-C470 HydrophobicContact CG2-CB 4.03Å; V412-T511 WeakPolarHBondContact O-CA 3.2Å; V412-G512 PolarHBondContact N-O 3.37Å; V412-G512 PolarHBondContact O-N 2.87Å; V412-V514 HydrophobicContact CB-CB 4.16Å; V412-V514 HydrophobicContact CB-CG2 3.82Å; V412-V514 HydrophobicContact CG1-CB 4.17Å; V412-V514 HydrophobicContact CG1-CG2 3.73Å; V412-V514 HydrophobicContact CG2-CB 4.21Å; V412-V514 HydrophobicContact CG2-CG2 4.43Å |
| 413 | S | 97.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.3 | 172.4 | -70.4 | 0 | 0 | 0 | 0 | 110.1 | V467 S468 H477 A478 T481 H510 T511 | S413-V467 CarbonylContact O-C 3.51Å; S413-V467 VanDerWaalsContact O-CA 3.26Å; S413-V467 WeakPolarHBondContact O-CA 3.36Å; S413-S468 PolarHBondContact N-O 2.62Å; S413-S468 PolarHBondContact O-N 2.87Å; S413-H477 PolarHBondContact OG-ND1 2.76Å; S413-A478 WeakPolarHBondContact OG-CA 3.21Å; S413-T481 VanDerWaalsContact CB-OG1 3.31Å; S413-T481 WeakPolarHBondContact CB-OG1 3.32Å; S413-H510 CarbonylContact C-O 3.45Å; S413-H510 WeakPolarHBondContact CA-O 3.45Å; S413-T511 PolarHBondContact OG-OG1 3.22Å |
| 414 | V | 97.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.7 | -174.2 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | V412 F416 V467 V509 H510 V514 V533 A536 | V412-V414 HydrophobicContact CG1-CG2 4.33Å; V414-F416 HydrophobicContact CG1-CD2 4.03Å; V414-F416 HydrophobicContact CG1-CE2 3.7Å; V414-V467 HydrophobicContact CB-CG1 4.38Å; V414-V467 HydrophobicContact CG1-CG1 4.2Å; V414-V467 HydrophobicContact CG2-CG1 4.03Å; V414-V509 WeakPolarHBondContact O-CA 3.45Å; V414-H510 PolarHBondContact N-O 3.09Å; V414-H510 PolarHBondContact O-N 3.05Å; V414-V514 HydrophobicContact CG2-CG2 3.84Å; V414-V533 HydrophobicContact CG1-CG1 4.47Å; V414-V533 HydrophobicContact CG2-CG2 4.37Å; V414-A536 HydrophobicContact CB-CB 3.81Å; V414-A536 HydrophobicContact CG1-CB 3.71Å |
| 415 | L | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.9 | 176.7 | 176.9 | 156.1 | 0 | 0 | 0 | 110.3 | A417 Y465 C466 T481 M484 M488 V507 G508 V509 | L415-A417 HydrophobicContact CD2-CB 3.93Å; L415-Y465 WeakPolarHBondContact O-CA 3.17Å; L415-Y465 WeakPolarHBondContact O-CB 3.18Å; L415-C466 PolarHBondContact N-O 3.03Å; L415-C466 PolarHBondContact O-N 3.32Å; L415-T481 HydrophobicContact CB-CG2 3.58Å; L415-T481 HydrophobicContact CD1-CG2 4.26Å; L415-T481 WeakPolarHBondContact CD1-O 3.23Å; L415-M484 HydrophobicContact CD1-CB 4.3Å; L415-M484 HydrophobicContact CD1-CG 4.24Å; L415-M488 HydrophobicContact CD1-SD 4.4Å; L415-M488 HydrophobicContact CD2-CE 4.4Å; L415-M488 HydrophobicContact CD2-SD 3.79Å; L415-V507 HydrophobicContact CD1-CG1 3.69Å; L415-V507 HydrophobicContact CD2-CG1 4.22Å; L415-V507 HydrophobicContact CG-CG1 3.76Å; L415-G508 WeakPolarHBondContact CA-O 3.39Å; L415-V509 HydrophobicContact CB-CG2 4.15Å; L415-V509 HydrophobicContact CD1-CG2 4.05Å; L415-V509 HydrophobicContact CG-CG2 4.12Å |
| 416 | F | 97.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.4 | 164.7 | -78.9 | -100.6 | 0 | 0 | 0 | 109.1 | V414 L460 Y465 V507 G508 V533 A536 N537 E540 | V414-F416 HydrophobicContact CG1-CD2 4.03Å; V414-F416 HydrophobicContact CG1-CE2 3.7Å; F416-L460 HydrophobicContact CE1-CD1 4.41Å; F416-Y465 HydrophobicContact CD1-CG 4.22Å; F416-Y465 HydrophobicContact CE1-CD1 4.28Å; F416-Y465 HydrophobicContact CE1-CD2 4.02Å; F416-Y465 AromaticContact CE1-CG 3.82Å; F416-Y465 HydrophobicContact CE1-CG 3.82Å; F416-Y465 HydrophobicContact CE2-CD2 4.34Å; F416-Y465 AromaticContact CZ-CD2 3.79Å; F416-Y465 HydrophobicContact CZ-CD2 3.79Å; F416-Y465 HydrophobicContact CZ-CE2 4.37Å; F416-Y465 HydrophobicContact CZ-CG 4.06Å; F416-V507 WeakPolarHBondContact O-CA 3.21Å; F416-G508 PolarHBondContact N-O 2.86Å; F416-G508 PolarHBondContact O-N 3Å; F416-V533 HydrophobicContact CE2-CG1 3.9Å; F416-V533 HydrophobicContact CZ-CG1 3.93Å; F416-A536 HydrophobicContact CD2-CB 3.71Å; F416-A536 HydrophobicContact CE2-CB 3.96Å; F416-N537 HydrophobicContact CD1-CB 4.08Å; F416-N537 HydrophobicContact CD2-CB 4.09Å; F416-N537 HydrophobicContact CE1-CB 4.06Å; F416-N537 HydrophobicContact CE2-CB 4.04Å; F416-N537 HydrophobicContact CG-CB 4.11Å; F416-N537 HydrophobicContact CZ-CB 4.04Å; F416-E540 HydrophobicContact CB-CB 3.73Å; F416-E540 HydrophobicContact CB-CG 4.1Å |
| 417 | A | 96.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L415 C463 Y464 M488 M505 R506 V507 | L415-A417 HydrophobicContact CD2-CB 3.93Å; A417-C463 CarbonylContact O-C 3.57Å; A417-C463 WeakPolarHBondContact O-CA 3.41Å; A417-C463 PolarHBondContact O-SG 2.77Å; A417-Y464 PolarHBondContact N-O 3.38Å; A417-Y464 PolarHBondContact O-N 3.38Å; A417-M488 HydrophobicContact CB-CE 3.59Å; A417-M488 HydrophobicContact CB-SD 4.37Å; A417-M505 HydrophobicContact CB-CE 4.4Å; A417-M505 HydrophobicContact CB-CG 3.97Å; A417-M505 HydrophobicContact CB-SD 3.7Å; A417-R506 CarbonylContact C-O 3.57Å; A417-R506 WeakPolarHBondContact CA-O 3.45Å; A417-V507 HydrophobicContact CB-CG1 4.44Å; A417-V507 HydrophobicContact CB-CG2 4.01Å |
| 418 | D | 95 | Very high | 90.3 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 143.8 | -173 | -178.3 | 43.1 | 0 | 0 | 0 | 112.7 | V420 M505 R506 E540 | D418-V420 PolarHBondContact O-N 2.93Å; D418-M505 VanDerWaalsContact O-CA 3.27Å; D418-M505 WeakPolarHBondContact O-CA 3.44Å; D418-R506 PolarHBondContact N-O 3.06Å; D418-R506 PolarHBondContact O-N 3.04Å; D418-R506 IonicContact OD2-CZ 3.72Å; D418-R506 IonicContact OD2-NH1 2.71Å; D418-R506 IonicContact OD2-NH2 3.34Å; D418-R506 PolarHBondContact OD2-NH2 2.97Å; D418-E540 HydrophobicContact CB-CG 4.13Å; D418-E540 WeakPolarHBondContact CB-OE1 3.25Å |
| 419 | I | 93.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 99.9 | -175.5 | -57.3 | 166.9 | 0 | 0 | 0 | 110.2 | G421 F422 L438 L441 F442 D462 I492 V503 N504 M505 | I419-G421 PolarHBondContact O-N 3.08Å; I419-G421 VanDerWaalsContact O-N 3.14Å; I419-F422 HydrophobicContact CB-CB 4.01Å; I419-F422 HydrophobicContact CD1-CD2 4.41Å; I419-F422 HydrophobicContact CG2-CB 3.92Å; I419-F422 PolarHBondContact O-N 2.79Å; I419-L438 HydrophobicContact CD1-CD2 4.26Å; I419-L441 HydrophobicContact CD1-CD2 3.71Å; I419-L441 HydrophobicContact CG1-CD2 4.23Å; I419-F442 HydrophobicContact CD1-CE1 4.28Å; I419-F442 HydrophobicContact CD1-CZ 4.3Å; I419-D462 HydrophobicContact CB-CB 4.22Å; I419-D462 HydrophobicContact CD1-CB 4.31Å; I419-D462 WeakPolarHBondContact CD1-O 3.48Å; I419-D462 HydrophobicContact CG1-CB 4.49Å; I419-I492 HydrophobicContact CG2-CD1 4.35Å; I419-V503 HydrophobicContact CG2-CB 4.27Å; I419-V503 HydrophobicContact CG2-CG1 4.26Å; I419-N504 CarbonylContact C-O 3.57Å; I419-M505 HydrophobicContact CB-CE 4.39Å; I419-M505 HydrophobicContact CG1-CE 3.47Å; I419-M505 VanDerWaalsContact CG1-CE 3.47Å |
| 420 | V | 92.1 | Very high | 90 | Very high | 48 Ų | 48 | 46 Ų | 46 | 29% | 0.291 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 113.6 | 169.8 | -173 | 0 | 0 | 0 | 0 | 109.1 | D418 N504 R506 A545 | D418-V420 PolarHBondContact O-N 2.93Å; V420-N504 WeakPolarHBondContact CA-O 3.44Å; V420-N504 HydrophobicContact CB-CB 4.39Å; V420-N504 WeakPolarHBondContact CB-O 3.34Å; V420-N504 PolarHBondContact N-O 2.89Å; V420-N504 PolarHBondContact O-N 2.87Å; V420-R506 HydrophobicContact CG2-CG 3.83Å; V420-A545 HydrophobicContact CG2-CB 4.03Å |
| 421 | G | 87.5 | Confident | 89.6 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 33% | 0.33 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 110.2 | -9.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I419 T423 K424 M425 | I419-G421 PolarHBondContact O-N 3.08Å; I419-G421 VanDerWaalsContact O-N 3.14Å; G421-T423 VanDerWaalsContact C-N 3.3Å; G421-T423 PolarHBondContact O-N 3.28Å; G421-T423 VanDerWaalsContact O-N 3.11Å; G421-K424 WeakPolarHBondContact O-CA 3.39Å; G421-K424 WeakPolarHBondContact O-CB 3.47Å; G421-K424 PolarHBondContact O-N 3.31Å; G421-M425 PolarHBondContact O-N 3.35Å |
| 422 | F | 86.9 | Confident | 89.3 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53 | -40.2 | -172.1 | -179.7 | -105.5 | 0 | 0 | 0 | 114.9 | I419 K424 M425 S426 L434 L438 D462 | I419-F422 HydrophobicContact CB-CB 4.01Å; I419-F422 HydrophobicContact CD1-CD2 4.41Å; I419-F422 HydrophobicContact CG2-CB 3.92Å; I419-F422 PolarHBondContact O-N 2.79Å; F422-K424 VanDerWaalsContact C-N 3.3Å; F422-K424 PolarHBondContact O-N 3.21Å; F422-M425 HydrophobicContact CD2-CE 3.55Å; F422-M425 HydrophobicContact CE2-CE 3.6Å; F422-M425 PolarHBondContact O-N 2.99Å; F422-S426 WeakPolarHBondContact O-CB 3.43Å; F422-S426 PolarHBondContact O-N 3.37Å; F422-S426 PolarHBondContact O-OG 3.22Å; F422-L434 HydrophobicContact CE2-CD1 3.91Å; F422-L434 HydrophobicContact CZ-CD1 4.18Å; F422-L438 HydrophobicContact CD2-CD2 4.41Å; F422-L438 HydrophobicContact CE2-CD1 4.02Å; F422-L438 HydrophobicContact CE2-CD2 3.79Å; F422-L438 HydrophobicContact CE2-CG 4.23Å; F422-L438 HydrophobicContact CZ-CD1 4.19Å; F422-D462 HydrophobicContact CB-CB 3.9Å; F422-D462 WeakPolarHBondContact CB-OD2 3.33Å; F422-D462 HydrophobicContact CD1-CB 3.72Å; F422-D462 WeakPolarHBondContact CD1-OD2 3.13Å; F422-D462 HydrophobicContact CD2-CB 4.29Å; F422-D462 HydrophobicContact CE1-CB 4.33Å; F422-D462 HydrophobicContact CG-CB 3.69Å |
| 423 | T | 82.4 | Confident | 89 | Confident | 94 Ų | 94 | 42.9 Ų | 42.9 | 58% | 0.577 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -63.4 | -33.7 | 177.2 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | G421 S427 | G421-T423 VanDerWaalsContact C-N 3.3Å; G421-T423 PolarHBondContact O-N 3.28Å; G421-T423 VanDerWaalsContact O-N 3.11Å; T423-S427 WeakPolarHBondContact O-CB 3.31Å; T423-S427 PolarHBondContact O-N 3.18Å |
| 424 | K | 83.3 | Confident | 88.6 | Confident | 123 Ų | 123 | 43.3 Ų | 43.3 | 54% | 0.535 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.1 | -54.5 | 173.3 | -179.6 | -174 | 171.5 | -178.1 | 0 | 109.5 | G421 F422 S426 S427 E502 | G421-K424 WeakPolarHBondContact O-CA 3.39Å; G421-K424 WeakPolarHBondContact O-CB 3.47Å; G421-K424 PolarHBondContact O-N 3.31Å; F422-K424 VanDerWaalsContact C-N 3.3Å; F422-K424 PolarHBondContact O-N 3.21Å; K424-S426 PolarHBondContact O-N 3.4Å; K424-S427 PolarHBondContact O-N 3.1Å; K424-S427 PolarHBondContact O-OG 3.42Å; K424-E502 VanDerWaalsContact NZ-CD 3.29Å; K424-E502 IonicContact NZ-OE1 3.3Å; K424-E502 IonicContact NZ-OE2 3.52Å; K424-E502 PolarHBondContact NZ-OE2 3.11Å |
| 425 | M | 84.6 | Confident | 88.1 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.7 | -50.2 | -179.5 | -175.5 | -164 | 81 | 0 | 0 | 112.2 | G421 F422 S427 K429 L434 E501 V503 | G421-M425 PolarHBondContact O-N 3.35Å; F422-M425 HydrophobicContact CD2-CE 3.55Å; F422-M425 HydrophobicContact CE2-CE 3.6Å; F422-M425 PolarHBondContact O-N 2.99Å; M425-S427 PolarHBondContact O-N 2.89Å; M425-K429 WeakPolarHBondContact O-CE 3.44Å; M425-K429 WeakPolarHBondContact O-CG 3.16Å; M425-L434 HydrophobicContact CE-CD1 3.76Å; M425-E501 HydrophobicContact CG-CB 4.05Å; M425-E501 HydrophobicContact CG-CG 4.21Å; M425-E501 HydrophobicContact SD-CB 4.26Å; M425-E501 HydrophobicContact SD-CG 4.3Å; M425-V503 HydrophobicContact CB-CG1 4.19Å; M425-V503 HydrophobicContact CG-CG1 4.39Å; M425-V503 HydrophobicContact SD-CG1 3.97Å |
| 426 | S | 84.7 | Confident | 87.7 | Confident | 28 Ų | 28 | 47.9 Ų | 47.9 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.2 | -26.5 | -174.6 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | F422 K424 N428 K429 | F422-S426 WeakPolarHBondContact O-CB 3.43Å; F422-S426 PolarHBondContact O-N 3.37Å; F422-S426 PolarHBondContact O-OG 3.22Å; K424-S426 PolarHBondContact O-N 3.4Å; S426-N428 VanDerWaalsContact C-N 3.27Å; S426-N428 PolarHBondContact O-N 2.75Å; S426-N428 VanDerWaalsContact O-N 3.17Å; S426-K429 PolarHBondContact O-N 3.16Å |
| 427 | S | 79.2 | Confident | 87.4 | Confident | 77 Ų | 77 | 47.5 Ų | 47.5 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -30.5 | -171.8 | 64.1 | 0 | 0 | 0 | 0 | 115.4 | T423 K424 M425 | T423-S427 WeakPolarHBondContact O-CB 3.31Å; T423-S427 PolarHBondContact O-N 3.18Å; K424-S427 PolarHBondContact O-N 3.1Å; K424-S427 PolarHBondContact O-OG 3.42Å; M425-S427 PolarHBondContact O-N 2.89Å |
| 428 | N | 80.6 | Confident | 87 | Confident | 152 Ų | 152 | 47.6 Ų | 47.6 | 81% | 0.813 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 22.1 | -173.8 | -68.8 | -32.9 | 0 | 0 | 0 | 113.1 | S426 | S426-N428 VanDerWaalsContact C-N 3.27Å; S426-N428 PolarHBondContact O-N 2.75Å; S426-N428 VanDerWaalsContact O-N 3.17Å |
| 429 | K | 84.4 | Confident | 86.6 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | trans | -113.1 | 142.8 | -177.1 | -55.1 | -74.6 | 174.9 | 169.3 | 0 | 110.8 | M425 S426 L434 L437 E501 | M425-K429 WeakPolarHBondContact O-CE 3.44Å; M425-K429 WeakPolarHBondContact O-CG 3.16Å; S426-K429 PolarHBondContact O-N 3.16Å; K429-L434 HydrophobicContact CB-CB 4.19Å; K429-L437 HydrophobicContact CD-CD1 4.07Å; K429-L437 HydrophobicContact CG-CD1 4.49Å; K429-E501 WeakPolarHBondContact CE-OE2 3.42Å; K429-E501 IonicContact NZ-OE1 2.74Å; K429-E501 PolarHBondContact NZ-OE1 2.84Å; K429-E501 IonicContact NZ-OE2 3.09Å; K429-E501 PolarHBondContact NZ-OE2 3.48Å | ||
| 430 | S | 87.6 | Confident | 86.5 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 47% | 0.469 | 28% | 0.276 | S | S | . | . | trans | -67.1 | 153.5 | 168.2 | 66.4 | 0 | 0 | 0 | 0 | 110.6 | S432 H433 L434 | S430-S432 PolarHBondContact O-N 3.44Å; S430-S432 VanDerWaalsContact O-N 3.15Å; S430-S432 PolarHBondContact OG-OG 2.66Å; S430-H433 PolarHBondContact O-N 3.29Å; S430-H433 WeakPolarHBondContact OG-CB 3.5Å; S430-H433 PolarHBondContact OG-N 3.08Å; S430-L434 PolarHBondContact O-N 2.76Å | ||
| 431 | A | 84.2 | Confident | 86.4 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -52.1 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | V435 H1151 T1271 | A431-V435 WeakPolarHBondContact O-CB 3.28Å; A431-V435 VanDerWaalsContact O-CG2 3.22Å; A431-V435 WeakPolarHBondContact O-CG2 3.34Å; A431-V435 PolarHBondContact O-N 2.89Å; A431-V435 VanDerWaalsContact O-N 3.12Å; A431-H1151 HydrophobicContact CB-CB 3.82Å; A431-T1271 HydrophobicContact CB-CG2 3.62Å |
| 432 | S | 86.6 | Confident | 86.6 | Confident | 70 Ų | 70 | 45.2 Ų | 45.2 | 49% | 0.49 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.8 | -36.4 | 177 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | S430 Y436 S1149 | S430-S432 PolarHBondContact O-N 3.44Å; S430-S432 VanDerWaalsContact O-N 3.15Å; S430-S432 PolarHBondContact OG-OG 2.66Å; S432-Y436 WeakPolarHBondContact O-CB 3.34Å; S432-Y436 PolarHBondContact O-N 3.01Å; S432-S1149 WeakPolarHBondContact CA-OG 3.43Å |
| 433 | H | 90 | Very high | 86.7 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.9 | -40.1 | 178 | -163.5 | -174.1 | 0 | 0 | 0 | 111.6 | S430 Y436 L437 | S430-H433 PolarHBondContact O-N 3.29Å; S430-H433 WeakPolarHBondContact OG-CB 3.5Å; S430-H433 PolarHBondContact OG-N 3.08Å; H433-Y436 WeakPolarHBondContact O-CB 3.17Å; H433-Y436 PolarHBondContact O-N 2.84Å; H433-L437 WeakPolarHBondContact O-CG 3.23Å; H433-L437 PolarHBondContact O-N 3.31Å |
| 434 | L | 88.5 | Confident | 87.1 | Confident | 8 Ų | 8 | 40.6 Ų | 40.6 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 173.8 | -179.9 | 59.3 | 0 | 0 | 0 | 111.8 | F422 M425 K429 S430 Y436 L437 L438 | F422-L434 HydrophobicContact CE2-CD1 3.91Å; F422-L434 HydrophobicContact CZ-CD1 4.18Å; M425-L434 HydrophobicContact CE-CD1 3.76Å; K429-L434 HydrophobicContact CB-CB 4.19Å; S430-L434 PolarHBondContact O-N 2.76Å; L434-Y436 VanDerWaalsContact C-N 3.29Å; L434-Y436 PolarHBondContact O-N 3.04Å; L434-L437 PolarHBondContact O-N 3.03Å; L434-L438 HydrophobicContact CD1-CD1 4.11Å; L434-L438 HydrophobicContact CD1-CG 4.31Å; L434-L438 HydrophobicContact CG-CD1 4.2Å; L434-L438 WeakPolarHBondContact O-CB 3.33Å; L434-L438 WeakPolarHBondContact O-CG 3.43Å; L434-L438 PolarHBondContact O-N 3.49Å |
| 435 | V | 87.5 | Confident | 87.6 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -26.6 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.8 | A431 N439 T1271 W1285 | A431-V435 WeakPolarHBondContact O-CB 3.28Å; A431-V435 VanDerWaalsContact O-CG2 3.22Å; A431-V435 WeakPolarHBondContact O-CG2 3.34Å; A431-V435 PolarHBondContact O-N 2.89Å; A431-V435 VanDerWaalsContact O-N 3.12Å; V435-N439 WeakPolarHBondContact CG1-ND2 3.4Å; V435-N439 VanDerWaalsContact O-CB 3.26Å; V435-N439 WeakPolarHBondContact O-CB 3.44Å; V435-N439 PolarHBondContact O-N 3.37Å; V435-N439 PolarHBondContact O-ND2 3.12Å; V435-T1271 HydrophobicContact CG2-CG2 4.1Å; V435-W1285 HydrophobicContact CG2-CZ3 4.41Å |
| 436 | Y | 88.9 | Confident | 87.9 | Confident | 90 Ų | 90 | 34.4 Ų | 34.4 | 35% | 0.353 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.8 | -54.9 | 169.8 | 169.5 | -90.6 | 0 | 0 | 0 | 111.6 | S432 H433 L434 L438 N439 D440 H499 | S432-Y436 WeakPolarHBondContact O-CB 3.34Å; S432-Y436 PolarHBondContact O-N 3.01Å; H433-Y436 WeakPolarHBondContact O-CB 3.17Å; H433-Y436 PolarHBondContact O-N 2.84Å; L434-Y436 VanDerWaalsContact C-N 3.29Å; L434-Y436 PolarHBondContact O-N 3.04Å; Y436-L438 PolarHBondContact O-N 3.31Å; Y436-N439 PolarHBondContact O-N 3.41Å; Y436-N439 VanDerWaalsContact O-N 3.08Å; Y436-D440 PolarHBondContact O-N 2.9Å; Y436-H499 AromaticContact CE1-NE2 3.95Å |
| 437 | L | 90 | Very high | 88.1 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | -178.2 | -70.3 | 167.7 | 0 | 0 | 0 | 111.6 | K429 H433 L434 N439 D440 L441 F495 H499 E501 | K429-L437 HydrophobicContact CD-CD1 4.07Å; K429-L437 HydrophobicContact CG-CD1 4.49Å; H433-L437 WeakPolarHBondContact O-CG 3.23Å; H433-L437 PolarHBondContact O-N 3.31Å; L434-L437 PolarHBondContact O-N 3.03Å; L437-N439 PolarHBondContact O-N 3.37Å; L437-D440 PolarHBondContact O-N 3.29Å; L437-L441 PolarHBondContact O-N 3.48Å; L437-F495 HydrophobicContact CB-CZ 4.12Å; L437-F495 HydrophobicContact CD2-CE2 4.39Å; L437-F495 HydrophobicContact CD2-CZ 3.92Å; L437-H499 HydrophobicContact CD2-CB 4.29Å; L437-H499 VanDerWaalsContact CD2-CD2 3.42Å; L437-H499 WeakPolarHBondContact CD2-CD2 3.05Å; L437-E501 VanDerWaalsContact CD1-OE1 3.28Å; L437-E501 WeakPolarHBondContact CD1-OE1 3.42Å |
| 438 | L | 89.4 | Confident | 88.8 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.2 | -33.3 | 176.7 | -72.5 | 175.4 | 0 | 0 | 0 | 113.3 | I419 F422 L434 Y436 F442 I1275 | I419-L438 HydrophobicContact CD1-CD2 4.26Å; F422-L438 HydrophobicContact CD2-CD2 4.41Å; F422-L438 HydrophobicContact CE2-CD1 4.02Å; F422-L438 HydrophobicContact CE2-CD2 3.79Å; F422-L438 HydrophobicContact CE2-CG 4.23Å; F422-L438 HydrophobicContact CZ-CD1 4.19Å; L434-L438 HydrophobicContact CD1-CD1 4.11Å; L434-L438 HydrophobicContact CD1-CG 4.31Å; L434-L438 HydrophobicContact CG-CD1 4.2Å; L434-L438 WeakPolarHBondContact O-CB 3.33Å; L434-L438 WeakPolarHBondContact O-CG 3.43Å; L434-L438 PolarHBondContact O-N 3.49Å; Y436-L438 PolarHBondContact O-N 3.31Å; L438-F442 HydrophobicContact CB-CD2 4.23Å; L438-F442 HydrophobicContact CB-CE2 4.27Å; L438-F442 HydrophobicContact CD2-CD2 4.4Å; L438-F442 HydrophobicContact CD2-CE2 3.8Å; L438-F442 HydrophobicContact CD2-CZ 4.08Å; L438-F442 HydrophobicContact CG-CE2 4.49Å; L438-F442 VanDerWaalsContact O-CB 3.26Å; L438-F442 WeakPolarHBondContact O-CB 3.33Å; L438-F442 VanDerWaalsContact O-CD2 3.29Å; L438-F442 WeakPolarHBondContact O-CD2 3.23Å; L438-F442 WeakPolarHBondContact O-CG 3.24Å; L438-F442 PolarHBondContact O-N 3.04Å; L438-I1275 HydrophobicContact CB-CD1 3.71Å; L438-I1275 HydrophobicContact CD1-CD1 3.83Å; L438-I1275 HydrophobicContact CG-CD1 4.4Å |
| 439 | N | 87.2 | Confident | 89.3 | Confident | 40 Ų | 40 | 26.8 Ų | 26.8 | 21% | 0.214 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -73.7 | -28.2 | 176.2 | -89.4 | -61.9 | 0 | 0 | 0 | 113 | V435 Y436 L437 G443 V1274 I1275 G1276 | V435-N439 WeakPolarHBondContact CG1-ND2 3.4Å; V435-N439 VanDerWaalsContact O-CB 3.26Å; V435-N439 WeakPolarHBondContact O-CB 3.44Å; V435-N439 PolarHBondContact O-N 3.37Å; V435-N439 PolarHBondContact O-ND2 3.12Å; Y436-N439 PolarHBondContact O-N 3.41Å; Y436-N439 VanDerWaalsContact O-N 3.08Å; L437-N439 PolarHBondContact O-N 3.37Å; N439-G443 WeakPolarHBondContact O-CA 3.44Å; N439-G443 PolarHBondContact O-N 3.2Å; N439-V1274 PolarHBondContact ND2-O 3.22Å; N439-I1275 WeakPolarHBondContact OD1-CA 3.31Å; N439-G1276 PolarHBondContact OD1-N 3.07Å |
| 440 | D | 90 | Very high | 89.5 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 8% | 0.08 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.4 | -57.9 | 168 | 179.3 | 22.7 | 0 | 0 | 0 | 110.7 | Y436 L437 F442 G443 R444 R447 F495 H499 M621 | Y436-D440 PolarHBondContact O-N 2.9Å; L437-D440 PolarHBondContact O-N 3.29Å; D440-F442 PolarHBondContact O-N 3.39Å; D440-G443 CarbonylContact O-C 3.57Å; D440-G443 VanDerWaalsContact O-CA 3.3Å; D440-G443 WeakPolarHBondContact O-CA 3.42Å; D440-G443 PolarHBondContact O-N 3.45Å; D440-R444 VanDerWaalsContact CG-NE 3.34Å; D440-R444 WeakPolarHBondContact O-CG 3.37Å; D440-R444 PolarHBondContact O-N 3.46Å; D440-R444 IonicContact OD1-CZ 3.07Å; D440-R444 IonicContact OD1-NE 3.23Å; D440-R444 PolarHBondContact OD1-NE 2.97Å; D440-R444 IonicContact OD1-NH2 2.92Å; D440-R444 IonicContact OD2-CZ 2.69Å; D440-R444 VanDerWaalsContact OD2-CZ 3.31Å; D440-R444 IonicContact OD2-NE 3.97Å; D440-R444 PolarHBondContact OD2-NE 3.23Å; D440-R444 VanDerWaalsContact OD2-NE 3.13Å; D440-R444 IonicContact OD2-NH2 2.69Å; D440-R444 PolarHBondContact OD2-NH2 3.07Å; D440-R447 IonicContact OD1-NH2 2.77Å; D440-F495 HydrophobicContact CB-CE2 4.27Å; D440-H499 IonicContact OD2-CE1 2.75Å; D440-H499 PolarHBondContact OD2-CE1 3.4Å; D440-H499 VanDerWaalsContact OD2-CE1 3.23Å; D440-H499 IonicContact OD2-NE2 2.7Å; D440-M621 WeakPolarHBondContact OD1-CE 3.46Å |
| 441 | L | 91.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.6 | -50.6 | -176.6 | -178.2 | 61.1 | 0 | 0 | 0 | 112.4 | I419 L437 G443 R444 F445 I492 F495 | I419-L441 HydrophobicContact CD1-CD2 3.71Å; I419-L441 HydrophobicContact CG1-CD2 4.23Å; L437-L441 PolarHBondContact O-N 3.48Å; L441-G443 VanDerWaalsContact C-N 3.31Å; L441-G443 PolarHBondContact O-N 2.74Å; L441-R444 WeakPolarHBondContact O-CB 3.48Å; L441-R444 PolarHBondContact O-N 2.92Å; L441-F445 HydrophobicContact CD1-CE1 3.85Å; L441-F445 HydrophobicContact CD1-CE2 4.18Å; L441-F445 HydrophobicContact CD1-CZ 3.53Å; L441-F445 HydrophobicContact CD2-CZ 4.47Å; L441-F445 HydrophobicContact CG-CE2 3.99Å; L441-F445 HydrophobicContact CG-CZ 3.87Å; L441-F445 PolarHBondContact O-N 3.15Å; L441-F445 VanDerWaalsContact O-N 3.14Å; L441-I492 HydrophobicContact CD1-CB 4.19Å; L441-I492 HydrophobicContact CD1-CD1 4.42Å; L441-I492 HydrophobicContact CD1-CG1 3.99Å; L441-I492 HydrophobicContact CD2-CD1 4.15Å; L441-I492 HydrophobicContact CD2-CG1 4.47Å; L441-F495 HydrophobicContact CB-CD2 4Å; L441-F495 HydrophobicContact CB-CE2 3.95Å; L441-F495 HydrophobicContact CB-CG 4.35Å; L441-F495 HydrophobicContact CB-CZ 4.25Å; L441-F495 HydrophobicContact CD1-CB 3.98Å; L441-F495 HydrophobicContact CD1-CD1 4.19Å; L441-F495 HydrophobicContact CD1-CD2 4.29Å; L441-F495 HydrophobicContact CD1-CG 3.88Å; L441-F495 HydrophobicContact CD2-CD1 4.49Å; L441-F495 HydrophobicContact CD2-CE1 4.48Å |
| 442 | F | 90.7 | Very high | 90 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.8 | -28.9 | 174.6 | -61.6 | -38.5 | 0 | 0 | 0 | 112.1 | I419 L438 D440 R444 F445 D446 T459 Y464 I1275 | I419-F442 HydrophobicContact CD1-CE1 4.28Å; I419-F442 HydrophobicContact CD1-CZ 4.3Å; L438-F442 HydrophobicContact CB-CD2 4.23Å; L438-F442 HydrophobicContact CB-CE2 4.27Å; L438-F442 HydrophobicContact CD2-CD2 4.4Å; L438-F442 HydrophobicContact CD2-CE2 3.8Å; L438-F442 HydrophobicContact CD2-CZ 4.08Å; L438-F442 HydrophobicContact CG-CE2 4.49Å; L438-F442 VanDerWaalsContact O-CB 3.26Å; L438-F442 WeakPolarHBondContact O-CB 3.33Å; L438-F442 VanDerWaalsContact O-CD2 3.29Å; L438-F442 WeakPolarHBondContact O-CD2 3.23Å; L438-F442 WeakPolarHBondContact O-CG 3.24Å; L438-F442 PolarHBondContact O-N 3.04Å; D440-F442 PolarHBondContact O-N 3.39Å; F442-R444 VanDerWaalsContact C-N 3.31Å; F442-R444 PolarHBondContact O-N 2.94Å; F442-F445 AromaticContact CD1-CD2 3.8Å; F442-F445 HydrophobicContact CD1-CD2 3.8Å; F442-F445 HydrophobicContact CD1-CE2 4.08Å; F442-F445 HydrophobicContact CE1-CD2 4.42Å; F442-F445 HydrophobicContact CE1-CE2 4.37Å; F442-F445 PolarHBondContact O-N 3.26Å; F442-D446 WeakPolarHBondContact O-CB 3.49Å; F442-D446 PolarHBondContact O-N 3.33Å; F442-T459 HydrophobicContact CD1-CG2 4.43Å; F442-T459 HydrophobicContact CD2-CG2 4.21Å; F442-T459 HydrophobicContact CE1-CG2 4.26Å; F442-T459 HydrophobicContact CE2-CG2 4.01Å; F442-T459 HydrophobicContact CG-CG2 4.4Å; F442-T459 HydrophobicContact CZ-CG2 4.03Å; F442-Y464 AromaticContact CD1-CD2 3.88Å; F442-Y464 HydrophobicContact CD1-CD2 3.88Å; F442-Y464 HydrophobicContact CE1-CD2 4.31Å; F442-I1275 HydrophobicContact CB-CG2 4.5Å; F442-I1275 HydrophobicContact CD2-CD1 4.18Å; F442-I1275 HydrophobicContact CD2-CG2 3.66Å; F442-I1275 HydrophobicContact CE2-CD1 4.18Å; F442-I1275 HydrophobicContact CE2-CG2 4.38Å |
| 443 | G | 88.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -31.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N439 D440 L441 R447 | N439-G443 WeakPolarHBondContact O-CA 3.44Å; N439-G443 PolarHBondContact O-N 3.2Å; D440-G443 CarbonylContact O-C 3.57Å; D440-G443 VanDerWaalsContact O-CA 3.3Å; D440-G443 WeakPolarHBondContact O-CA 3.42Å; D440-G443 PolarHBondContact O-N 3.45Å; L441-G443 VanDerWaalsContact C-N 3.31Å; L441-G443 PolarHBondContact O-N 2.74Å; G443-R447 WeakPolarHBondContact O-CG 3.5Å; G443-R447 PolarHBondContact O-N 2.79Å; G443-R447 PolarHBondContact O-NE 3.13Å; G443-R447 PolarHBondContact O-NH2 3.04Å |
| 444 | R | 91.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 3% | 0.034 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.6 | -47.7 | 170.1 | -65.8 | 173.4 | -167.2 | -137.8 | 0.3 | 109.7 | D440 L441 F442 R447 L448 D498 L618 M621 | D440-R444 VanDerWaalsContact CG-NE 3.34Å; D440-R444 WeakPolarHBondContact O-CG 3.37Å; D440-R444 PolarHBondContact O-N 3.46Å; D440-R444 IonicContact OD1-CZ 3.07Å; D440-R444 IonicContact OD1-NE 3.23Å; D440-R444 PolarHBondContact OD1-NE 2.97Å; D440-R444 IonicContact OD1-NH2 2.92Å; D440-R444 IonicContact OD2-CZ 2.69Å; D440-R444 VanDerWaalsContact OD2-CZ 3.31Å; D440-R444 IonicContact OD2-NE 3.97Å; D440-R444 PolarHBondContact OD2-NE 3.23Å; D440-R444 VanDerWaalsContact OD2-NE 3.13Å; D440-R444 IonicContact OD2-NH2 2.69Å; D440-R444 PolarHBondContact OD2-NH2 3.07Å; L441-R444 WeakPolarHBondContact O-CB 3.48Å; L441-R444 PolarHBondContact O-N 2.92Å; F442-R444 VanDerWaalsContact C-N 3.31Å; F442-R444 PolarHBondContact O-N 2.94Å; R444-R447 VanDerWaalsContact N-NH2 3.18Å; R444-R447 PolarHBondContact O-N 3.12Å; R444-L448 PolarHBondContact O-N 3.37Å; R444-D498 IonicContact CZ-OD2 3.88Å; R444-D498 IonicContact NH1-OD2 3.75Å; R444-D498 PolarHBondContact NH1-OD2 3.32Å; R444-D498 IonicContact NH2-OD2 3.7Å; R444-D498 PolarHBondContact NH2-OD2 3.36Å; R444-L618 HydrophobicContact CB-CD1 3.56Å; R444-L618 HydrophobicContact CG-CD1 3.86Å; R444-M621 HydrophobicContact CG-CE 4.2Å |
| 445 | F | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 178 | -56.4 | -19.7 | 0 | 0 | 0 | 113.4 | L441 F442 R447 L448 C449 Y464 M484 M488 A491 M505 | L441-F445 HydrophobicContact CD1-CE1 3.85Å; L441-F445 HydrophobicContact CD1-CE2 4.18Å; L441-F445 HydrophobicContact CD1-CZ 3.53Å; L441-F445 HydrophobicContact CD2-CZ 4.47Å; L441-F445 HydrophobicContact CG-CE2 3.99Å; L441-F445 HydrophobicContact CG-CZ 3.87Å; L441-F445 PolarHBondContact O-N 3.15Å; L441-F445 VanDerWaalsContact O-N 3.14Å; F442-F445 AromaticContact CD1-CD2 3.8Å; F442-F445 HydrophobicContact CD1-CD2 3.8Å; F442-F445 HydrophobicContact CD1-CE2 4.08Å; F442-F445 HydrophobicContact CE1-CD2 4.42Å; F442-F445 HydrophobicContact CE1-CE2 4.37Å; F442-F445 PolarHBondContact O-N 3.26Å; F445-R447 VanDerWaalsContact C-N 3.3Å; F445-R447 PolarHBondContact O-N 3.04Å; F445-L448 PolarHBondContact O-N 3.49Å; F445-L448 VanDerWaalsContact O-N 3.1Å; F445-C449 PolarHBondContact O-N 3.44Å; F445-Y464 HydrophobicContact CB-CD2 4.24Å; F445-Y464 HydrophobicContact CB-CE1 4.23Å; F445-Y464 HydrophobicContact CB-CE2 3.78Å; F445-Y464 HydrophobicContact CD2-CD1 4.46Å; F445-Y464 AromaticContact CD2-CD2 3.96Å; F445-Y464 HydrophobicContact CD2-CD2 3.96Å; F445-Y464 HydrophobicContact CD2-CE2 4.37Å; F445-Y464 HydrophobicContact CD2-CG 4.01Å; F445-M484 HydrophobicContact CB-CE 4.48Å; F445-M488 HydrophobicContact CB-CE 4.48Å; F445-M488 HydrophobicContact CD1-CB 4.42Å; F445-M488 HydrophobicContact CD1-CE 4.18Å; F445-M488 HydrophobicContact CD1-CG 3.89Å; F445-M488 HydrophobicContact CD2-CE 3.57Å; F445-M488 HydrophobicContact CE1-CB 4.11Å; F445-M488 HydrophobicContact CE1-CE 4.27Å; F445-M488 HydrophobicContact CE1-CG 4.08Å; F445-M488 HydrophobicContact CE2-CE 3.69Å; F445-M488 HydrophobicContact CG-CE 3.84Å; F445-M488 HydrophobicContact CG-CG 4.33Å; F445-M488 HydrophobicContact CZ-CE 4.05Å; F445-A491 HydrophobicContact CD1-CB 4.46Å; F445-A491 HydrophobicContact CE1-CB 4.2Å; F445-M505 HydrophobicContact CE2-CE 3.86Å; F445-M505 HydrophobicContact CE2-SD 4Å; F445-M505 HydrophobicContact CZ-CE 3.89Å; F445-M505 HydrophobicContact CZ-SD 3.66Å |
| 446 | D | 90.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 176.8 | -72 | 12.2 | 0 | 0 | 0 | 110.7 | F442 C449 E450 K456 | F442-D446 WeakPolarHBondContact O-CB 3.49Å; F442-D446 PolarHBondContact O-N 3.33Å; D446-C449 PolarHBondContact O-N 2.82Å; D446-E450 PolarHBondContact O-N 3.29Å; D446-K456 VanDerWaalsContact OD1-CD 3.22Å; D446-K456 WeakPolarHBondContact OD1-CD 3.41Å; D446-K456 WeakPolarHBondContact OD1-CE 3.29Å; D446-K456 IonicContact OD1-NZ 3.01Å; D446-K456 PolarHBondContact OD1-NZ 3.34Å; D446-K456 IonicContact OD2-NZ 3.58Å; D446-K456 PolarHBondContact OD2-NZ 2.6Å |
| 447 | R | 90.4 | Very high | 90.5 | Very high | 88 Ų | 88 | 26.4 Ų | 26.4 | 33% | 0.332 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 173.9 | -73.7 | 171.3 | -72.4 | -157 | -2.6 | 112.9 | D440 G443 R444 F445 E450 L451 L618 M621 | D440-R447 IonicContact OD1-NH2 2.77Å; G443-R447 WeakPolarHBondContact O-CG 3.5Å; G443-R447 PolarHBondContact O-N 2.79Å; G443-R447 PolarHBondContact O-NE 3.13Å; G443-R447 PolarHBondContact O-NH2 3.04Å; R444-R447 VanDerWaalsContact N-NH2 3.18Å; R444-R447 PolarHBondContact O-N 3.12Å; F445-R447 VanDerWaalsContact C-N 3.3Å; F445-R447 PolarHBondContact O-N 3.04Å; R447-E450 PolarHBondContact O-N 3.04Å; R447-L451 VanDerWaalsContact O-CG 3.31Å; R447-L451 WeakPolarHBondContact O-CG 3.48Å; R447-L451 PolarHBondContact O-N 2.95Å; R447-L618 HydrophobicContact CB-CD2 3.94Å; R447-M621 VanDerWaalsContact NH2-CE 3.31Å |
| 448 | L | 93.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 175.5 | -72.9 | 176.4 | 0 | 0 | 0 | 112 | R444 F445 E450 L451 V452 M484 A487 A491 V616 L618 | R444-L448 PolarHBondContact O-N 3.37Å; F445-L448 PolarHBondContact O-N 3.49Å; F445-L448 VanDerWaalsContact O-N 3.1Å; L448-E450 VanDerWaalsContact C-N 3.32Å; L448-E450 PolarHBondContact O-N 2.89Å; L448-L451 PolarHBondContact O-N 3.06Å; L448-V452 WeakPolarHBondContact O-CB 3.49Å; L448-V452 WeakPolarHBondContact O-CG2 3.49Å; L448-V452 PolarHBondContact O-N 3.11Å; L448-M484 HydrophobicContact CB-CE 3.76Å; L448-M484 HydrophobicContact CB-SD 3.78Å; L448-A487 HydrophobicContact CD1-CB 3.79Å; L448-A487 HydrophobicContact CD2-CB 3.93Å; L448-A487 HydrophobicContact CG-CB 4.4Å; L448-A491 HydrophobicContact CD1-CB 3.82Å; L448-V616 HydrophobicContact CD2-CG1 4.14Å; L448-L618 HydrophobicContact CD2-CD2 4.01Å; L448-L618 HydrophobicContact CD2-CG 4Å; L448-L618 HydrophobicContact CG-CD1 4.37Å; L448-L618 HydrophobicContact CG-CD2 4.31Å; L448-L618 HydrophobicContact CG-CG 4.23Å |
| 449 | C | 91 | Very high | 90.2 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.1 | -44.6 | 173.6 | -90.6 | 0 | 0 | 0 | 0 | 111.8 | F445 D446 G453 C454 Y464 M484 | F445-C449 PolarHBondContact O-N 3.44Å; D446-C449 PolarHBondContact O-N 2.82Å; C449-G453 WeakPolarHBondContact O-CA 3.4Å; C449-G453 PolarHBondContact O-N 2.94Å; C449-C454 VanDerWaalsContact CB-O 3.26Å; C449-C454 WeakPolarHBondContact CB-O 3.27Å; C449-C454 PolarHBondContact O-N 3.38Å; C449-Y464 PolarHBondContact SG-OH 3.36Å; C449-M484 HydrophobicContact CB-CE 4.34Å; C449-M484 WeakPolarHBondContact SG-CE 3.39Å |
| 450 | E | 87.5 | Confident | 90 | Very high | 135 Ų | 135 | 26.7 Ų | 26.7 | 63% | 0.631 | 14% | 0.138 | S | C | * | . | H | α-helix | trans | -65 | -40.6 | 176 | -70 | 179.6 | 178.3 | 0 | 0 | 112.9 | D446 R447 L448 | D446-E450 PolarHBondContact O-N 3.29Å; R447-E450 PolarHBondContact O-N 3.04Å; L448-E450 VanDerWaalsContact C-N 3.32Å; L448-E450 PolarHBondContact O-N 2.89Å |
| 451 | L | 91.5 | Very high | 89.6 | Confident | 110 Ų | 110 | 26.8 Ų | 26.8 | 58% | 0.576 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -72.3 | -37.8 | -179.5 | -73.1 | 169.3 | 0 | 0 | 0 | 113.6 | R447 L448 V616 L618 | R447-L451 VanDerWaalsContact O-CG 3.31Å; R447-L451 WeakPolarHBondContact O-CG 3.48Å; R447-L451 PolarHBondContact O-N 2.95Å; L448-L451 PolarHBondContact O-N 3.06Å; L451-V616 HydrophobicContact CB-CG1 4.26Å; L451-V616 HydrophobicContact CD1-CG1 4.39Å; L451-L618 HydrophobicContact CD1-CD2 3.91Å |
| 452 | V | 92.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -88.9 | -18.8 | -177.8 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | L448 R480 E483 M484 V616 | L448-V452 WeakPolarHBondContact O-CB 3.49Å; L448-V452 WeakPolarHBondContact O-CG2 3.49Å; L448-V452 PolarHBondContact O-N 3.11Å; V452-R480 HydrophobicContact CG1-CB 4.04Å; V452-R480 WeakPolarHBondContact CG1-O 3.27Å; V452-R480 WeakPolarHBondContact O-CD 3.39Å; V452-E483 HydrophobicContact CG1-CB 4.34Å; V452-M484 HydrophobicContact CB-SD 4.46Å; V452-M484 HydrophobicContact CG1-CB 4.18Å; V452-M484 HydrophobicContact CG2-SD 4.46Å; V452-V616 HydrophobicContact CG2-CB 4.31Å; V452-V616 HydrophobicContact CG2-CG1 4.31Å; V452-V616 HydrophobicContact CG2-CG2 4.3Å |
| 453 | G | 90.1 | Very high | 89.4 | Confident | 33 Ų | 33 | 29 Ų | 29 | 34% | 0.34 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 45.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C449 S468 | C449-G453 WeakPolarHBondContact O-CA 3.4Å; C449-G453 PolarHBondContact O-N 2.94Å; G453-S468 PolarHBondContact O-OG 3.33Å |
| 454 | C | 92.6 | Very high | 89.6 | Confident | 10 Ų | 10 | 29 Ų | 29 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | trans | -113.4 | 138.7 | 173 | -69.1 | 0 | 0 | 0 | 0 | 110.3 | C449 V467 | C449-C454 VanDerWaalsContact CB-O 3.26Å; C449-C454 WeakPolarHBondContact CB-O 3.27Å; C449-C454 PolarHBondContact O-N 3.38Å; C454-V467 CarbonylContact C-O 3.35Å; C454-V467 WeakPolarHBondContact CA-O 3.47Å | ||
| 455 | E | 90.5 | Very high | 89.7 | Confident | 52 Ų | 52 | 28.9 Ų | 28.9 | 24% | 0.243 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 113.5 | -179.4 | -175.4 | 68.3 | -134.4 | 0 | 0 | 110.2 | P255 I457 C466 V467 K1279 | P255-E455 HydrophobicContact CG-CG 4.28Å; E455-I457 PolarHBondContact O-N 2.86Å; E455-C466 CarbonylContact O-C 3.5Å; E455-C466 VanDerWaalsContact O-CA 3.26Å; E455-C466 WeakPolarHBondContact O-CA 3.39Å; E455-C466 VanDerWaalsContact O-CB 3.32Å; E455-C466 WeakPolarHBondContact O-CB 3.46Å; E455-V467 HydrophobicContact CB-CG2 4.08Å; E455-V467 PolarHBondContact N-O 3.09Å; E455-V467 PolarHBondContact O-N 2.91Å; E455-K1279 IonicContact OE1-NZ 2.75Å; E455-K1279 PolarHBondContact OE1-NZ 3.42Å |
| 456 | K | 90.2 | Very high | 89.7 | Confident | 14 Ų | 14 | 28.9 Ų | 28.9 | 6% | 0.061 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 125.2 | 171.2 | 174.7 | 179 | 179 | 174.1 | 0 | 110.2 | D446 Y464 K1279 | D446-K456 VanDerWaalsContact OD1-CD 3.22Å; D446-K456 WeakPolarHBondContact OD1-CD 3.41Å; D446-K456 WeakPolarHBondContact OD1-CE 3.29Å; D446-K456 IonicContact OD1-NZ 3.01Å; D446-K456 PolarHBondContact OD1-NZ 3.34Å; D446-K456 IonicContact OD2-NZ 3.58Å; D446-K456 PolarHBondContact OD2-NZ 2.6Å; K456-Y464 HydrophobicContact CD-CE2 3.8Å; K456-Y464 HydrophobicContact CG-CE2 4.1Å; K456-K1279 HydrophobicContact CB-CD 4.36Å; K456-K1279 HydrophobicContact CD-CB 4.39Å; K456-K1279 HydrophobicContact CD-CD 4.21Å; K456-K1279 HydrophobicContact CD-CG 4.43Å; K456-K1279 HydrophobicContact CG-CD 4.34Å; K456-K1279 PolarHBondContact O-NZ 3.14Å |
| 457 | I | 88.7 | Confident | 90 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 7% | 0.072 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -69.1 | 175 | -56.4 | -59 | 0 | 0 | 0 | 110.2 | E455 Y465 V467 F526 D527 V528 | E455-I457 PolarHBondContact O-N 2.86Å; I457-Y465 HydrophobicContact CB-CD2 3.93Å; I457-Y465 HydrophobicContact CB-CE2 3.6Å; I457-Y465 HydrophobicContact CG1-CD2 4.36Å; I457-Y465 HydrophobicContact CG1-CE2 4.26Å; I457-Y465 HydrophobicContact CG2-CD2 4.3Å; I457-Y465 HydrophobicContact CG2-CE2 3.46Å; I457-Y465 VanDerWaalsContact CG2-CE2 3.46Å; I457-Y465 PolarHBondContact N-O 2.84Å; I457-Y465 VanDerWaalsContact N-O 3.07Å; I457-V467 HydrophobicContact CD1-CG1 4.41Å; I457-V467 HydrophobicContact CD1-CG2 3.81Å; I457-V467 HydrophobicContact CG1-CG1 4.03Å; I457-V467 HydrophobicContact CG1-CG2 4.2Å; I457-F526 HydrophobicContact CD1-CD1 3.84Å; I457-F526 HydrophobicContact CD1-CE1 3.77Å; I457-D527 VanDerWaalsContact CG2-OD1 3.31Å; I457-D527 WeakPolarHBondContact CG2-OD1 3.25Å; I457-V528 HydrophobicContact CD1-CG1 3.92Å; I457-V528 HydrophobicContact CG1-CG1 4.28Å; I457-V528 HydrophobicContact CG1-CG2 4.18Å; I457-V528 HydrophobicContact CG2-CG2 4.39Å |
| 458 | A | 85.3 | Confident | 90.2 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | -176.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y465 K525 L1281 | A458-Y465 HydrophobicContact CB-CE1 3.72Å; A458-Y465 WeakPolarHBondContact O-CD1 3.48Å; A458-Y465 WeakPolarHBondContact O-CE1 3.39Å; A458-Y465 PolarHBondContact O-N 3.05Å; A458-K525 HydrophobicContact CB-CD 4.03Å; A458-L1281 HydrophobicContact CB-CD1 4.26Å |
| 459 | T | 86.5 | Confident | 90.1 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.6 | 167 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | F442 C463 Y464 K1206 | F442-T459 HydrophobicContact CD1-CG2 4.43Å; F442-T459 HydrophobicContact CD2-CG2 4.21Å; F442-T459 HydrophobicContact CE1-CG2 4.26Å; F442-T459 HydrophobicContact CE2-CG2 4.01Å; F442-T459 HydrophobicContact CG-CG2 4.4Å; F442-T459 HydrophobicContact CZ-CG2 4.03Å; T459-C463 CarbonylContact C-O 3.48Å; T459-C463 WeakPolarHBondContact CA-O 3.4Å; T459-Y464 HydrophobicContact CG2-CD2 3.96Å; T459-K1206 PolarHBondContact O-NZ 3.15Å |
| 460 | L | 84 | Confident | 90 | Very high | 43 Ų | 43 | 24.7 Ų | 24.7 | 23% | 0.225 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 70.9 | -177.7 | -64.1 | 176.3 | 0 | 0 | 0 | 109.1 | F416 D462 C463 Y465 I1208 | F416-L460 HydrophobicContact CE1-CD1 4.41Å; L460-D462 PolarHBondContact O-N 3.47Å; L460-C463 HydrophobicContact CB-CB 4.4Å; L460-C463 PolarHBondContact N-O 2.83Å; L460-C463 PolarHBondContact O-N 2.96Å; L460-Y465 HydrophobicContact CD1-CD1 4.16Å; L460-Y465 HydrophobicContact CD1-CE1 3.77Å; L460-Y465 HydrophobicContact CD2-CE1 4.44Å; L460-Y465 HydrophobicContact CG-CD1 4.26Å; L460-Y465 HydrophobicContact CG-CE1 3.76Å; L460-I1208 HydrophobicContact CD1-CG2 4.42Å; L460-I1208 HydrophobicContact CD2-CD1 4.09Å; L460-I1208 HydrophobicContact CD2-CG1 3.97Å; L460-I1208 HydrophobicContact CD2-CG2 3.94Å |
| 461 | G | 81.8 | Confident | 89.8 | Confident | 18 Ų | 18 | 19 Ų | 19 | 19% | 0.186 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | -111.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | W1285 | G461-W1285 PolarHBondContact O-NE1 3.34Š|
| 462 | D | 86.3 | Confident | 89.5 | Confident | 37 Ų | 37 | 17.9 Ų | 17.9 | 20% | 0.198 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -31.3 | 170.9 | 19.2 | 18.8 | 0 | 0 | 0 | 112.7 | I419 F422 L460 | I419-D462 HydrophobicContact CB-CB 4.22Å; I419-D462 HydrophobicContact CD1-CB 4.31Å; I419-D462 WeakPolarHBondContact CD1-O 3.48Å; I419-D462 HydrophobicContact CG1-CB 4.49Å; F422-D462 HydrophobicContact CB-CB 3.9Å; F422-D462 WeakPolarHBondContact CB-OD2 3.33Å; F422-D462 HydrophobicContact CD1-CB 3.72Å; F422-D462 WeakPolarHBondContact CD1-OD2 3.13Å; F422-D462 HydrophobicContact CD2-CB 4.29Å; F422-D462 HydrophobicContact CE1-CB 4.33Å; F422-D462 HydrophobicContact CG-CB 3.69Å; L460-D462 PolarHBondContact O-N 3.47Å |
| 463 | C | 91 | Very high | 89.4 | Confident | 12 Ų | 12 | 21.7 Ų | 21.7 | 8% | 0.081 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 135.8 | -176.2 | -175 | 0 | 0 | 0 | 0 | 113.2 | A417 T459 L460 | A417-C463 CarbonylContact O-C 3.57Å; A417-C463 WeakPolarHBondContact O-CA 3.41Å; A417-C463 PolarHBondContact O-SG 2.77Å; T459-C463 CarbonylContact C-O 3.48Å; T459-C463 WeakPolarHBondContact CA-O 3.4Å; L460-C463 HydrophobicContact CB-CB 4.4Å; L460-C463 PolarHBondContact N-O 2.83Å; L460-C463 PolarHBondContact O-N 2.96Å |
| 464 | Y | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138.4 | 171.9 | -176.7 | -82.6 | 0 | 0 | 0 | 109.7 | A417 F442 F445 C449 K456 T459 C466 M484 M488 | A417-Y464 PolarHBondContact N-O 3.38Å; A417-Y464 PolarHBondContact O-N 3.38Å; F442-Y464 AromaticContact CD1-CD2 3.88Å; F442-Y464 HydrophobicContact CD1-CD2 3.88Å; F442-Y464 HydrophobicContact CE1-CD2 4.31Å; F445-Y464 HydrophobicContact CB-CD2 4.24Å; F445-Y464 HydrophobicContact CB-CE1 4.23Å; F445-Y464 HydrophobicContact CB-CE2 3.78Å; F445-Y464 HydrophobicContact CD2-CD1 4.46Å; F445-Y464 AromaticContact CD2-CD2 3.96Å; F445-Y464 HydrophobicContact CD2-CD2 3.96Å; F445-Y464 HydrophobicContact CD2-CE2 4.37Å; F445-Y464 HydrophobicContact CD2-CG 4.01Å; C449-Y464 PolarHBondContact SG-OH 3.36Å; K456-Y464 HydrophobicContact CD-CE2 3.8Å; K456-Y464 HydrophobicContact CG-CE2 4.1Å; T459-Y464 HydrophobicContact CG2-CD2 3.96Å; Y464-C466 HydrophobicContact CE1-CB 4.1Å; Y464-M484 HydrophobicContact CE1-CE 4.34Å; Y464-M488 HydrophobicContact CD1-CE 3.6Å; Y464-M488 HydrophobicContact CD1-SD 4.42Å; Y464-M488 HydrophobicContact CE1-CE 4.2Å; Y464-M488 HydrophobicContact CG-CE 4.11Å |
| 465 | Y | 93.6 | Very high | 89.5 | Confident | 7 Ų | 7 | 30.8 Ų | 30.8 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 141.4 | 175 | 73.1 | -69.7 | 0 | 0 | 0 | 113.9 | L415 F416 I457 A458 L460 K525 D527 V528 | L415-Y465 WeakPolarHBondContact O-CA 3.17Å; L415-Y465 WeakPolarHBondContact O-CB 3.18Å; F416-Y465 HydrophobicContact CD1-CG 4.22Å; F416-Y465 HydrophobicContact CE1-CD1 4.28Å; F416-Y465 HydrophobicContact CE1-CD2 4.02Å; F416-Y465 AromaticContact CE1-CG 3.82Å; F416-Y465 HydrophobicContact CE1-CG 3.82Å; F416-Y465 HydrophobicContact CE2-CD2 4.34Å; F416-Y465 AromaticContact CZ-CD2 3.79Å; F416-Y465 HydrophobicContact CZ-CD2 3.79Å; F416-Y465 HydrophobicContact CZ-CE2 4.37Å; F416-Y465 HydrophobicContact CZ-CG 4.06Å; I457-Y465 HydrophobicContact CB-CD2 3.93Å; I457-Y465 HydrophobicContact CB-CE2 3.6Å; I457-Y465 HydrophobicContact CG1-CD2 4.36Å; I457-Y465 HydrophobicContact CG1-CE2 4.26Å; I457-Y465 HydrophobicContact CG2-CD2 4.3Å; I457-Y465 HydrophobicContact CG2-CE2 3.46Å; I457-Y465 VanDerWaalsContact CG2-CE2 3.46Å; I457-Y465 PolarHBondContact N-O 2.84Å; I457-Y465 VanDerWaalsContact N-O 3.07Å; A458-Y465 HydrophobicContact CB-CE1 3.72Å; A458-Y465 WeakPolarHBondContact O-CD1 3.48Å; A458-Y465 WeakPolarHBondContact O-CE1 3.39Å; A458-Y465 PolarHBondContact O-N 3.05Å; L460-Y465 HydrophobicContact CD1-CD1 4.16Å; L460-Y465 HydrophobicContact CD1-CE1 3.77Å; L460-Y465 HydrophobicContact CD2-CE1 4.44Å; L460-Y465 HydrophobicContact CG-CD1 4.26Å; L460-Y465 HydrophobicContact CG-CE1 3.76Å; Y465-K525 PolarHBondContact OH-NZ 2.81Å; Y465-D527 PolarHBondContact OH-OD1 2.93Å; Y465-V528 HydrophobicContact CD2-CG2 4.48Å; Y465-V528 HydrophobicContact CE2-CG2 3.99Å |
| 466 | C | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 164.1 | -177 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | L415 E455 Y464 | L415-C466 PolarHBondContact N-O 3.03Å; L415-C466 PolarHBondContact O-N 3.32Å; E455-C466 CarbonylContact O-C 3.5Å; E455-C466 VanDerWaalsContact O-CA 3.26Å; E455-C466 WeakPolarHBondContact O-CA 3.39Å; E455-C466 VanDerWaalsContact O-CB 3.32Å; E455-C466 WeakPolarHBondContact O-CB 3.46Å; Y464-C466 HydrophobicContact CE1-CB 4.1Å |
| 467 | V | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 159.4 | -178 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | V412 S413 V414 C454 E455 I457 C470 V528 | V412-V467 HydrophobicContact CG1-CB 4.14Å; V412-V467 HydrophobicContact CG1-CG1 4.5Å; S413-V467 CarbonylContact O-C 3.51Å; S413-V467 VanDerWaalsContact O-CA 3.26Å; S413-V467 WeakPolarHBondContact O-CA 3.36Å; V414-V467 HydrophobicContact CB-CG1 4.38Å; V414-V467 HydrophobicContact CG1-CG1 4.2Å; V414-V467 HydrophobicContact CG2-CG1 4.03Å; C454-V467 CarbonylContact C-O 3.35Å; C454-V467 WeakPolarHBondContact CA-O 3.47Å; E455-V467 HydrophobicContact CB-CG2 4.08Å; E455-V467 PolarHBondContact N-O 3.09Å; E455-V467 PolarHBondContact O-N 2.91Å; I457-V467 HydrophobicContact CD1-CG1 4.41Å; I457-V467 HydrophobicContact CD1-CG2 3.81Å; I457-V467 HydrophobicContact CG1-CG1 4.03Å; I457-V467 HydrophobicContact CG1-CG2 4.2Å; V467-C470 HydrophobicContact CB-CB 4.37Å; V467-C470 HydrophobicContact CG2-CB 3.71Å; V467-V528 HydrophobicContact CG1-CG1 4.4Å; V467-V528 HydrophobicContact CG1-CG2 4.44Å |
| 468 | S | 95.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.3 | 164.9 | -158.1 | 0 | 0 | 0 | 0 | 109.8 | V412 S413 G453 C470 H477 T481 | V412-S468 WeakPolarHBondContact CA-O 3.48Å; V412-S468 WeakPolarHBondContact CG1-O 3.44Å; S413-S468 PolarHBondContact N-O 2.62Å; S413-S468 PolarHBondContact O-N 2.87Å; G453-S468 PolarHBondContact O-OG 3.33Å; S468-C470 VanDerWaalsContact C-N 3.29Å; S468-H477 WeakPolarHBondContact CB-O 3.37Å; S468-T481 WeakPolarHBondContact CB-OG1 3.46Å |
| 469 | G | 91.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 79.5 | 2.7 | -165 | 0 | 0 | 0 | 0 | 0 | 115 | N472 P473 T474 | G469-N472 CarbonylContact C-O 3.6Å; G469-N472 WeakPolarHBondContact CA-O 3.45Å; G469-N472 CarbonylContact O-C 3.42Å; G469-P473 WeakPolarHBondContact O-CA 3.41Å; G469-T474 WeakPolarHBondContact CA-OG1 3.32Å; G469-T474 PolarHBondContact N-OG1 3.4Å |
| 470 | C | 89.6 | Confident | 91.2 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -136.3 | 136 | 178.9 | 167.8 | 0 | 0 | 0 | 0 | 110.3 | L409 V412 V467 S468 C516 | L409-C470 HydrophobicContact CD1-CB 3.79Å; V412-C470 HydrophobicContact CG1-CB 3.67Å; V412-C470 HydrophobicContact CG2-CB 4.03Å; V467-C470 HydrophobicContact CB-CB 4.37Å; V467-C470 HydrophobicContact CG2-CB 3.71Å; S468-C470 VanDerWaalsContact C-N 3.29Å; C470-C516 VanDerWaalsContact SG-CB 3.54Å |
| 471 | P | 82.4 | Confident | 91.8 | Very high | 16 Ų | 16 | 34 Ų | 34 | 10% | 0.104 | 18% | 0.182 | C | C | . | . | S | Bend | cis | -78.2 | -14.7 | -1.2 | 36.5 | -41.4 | 0 | 0 | 0 | 113.7 | P255 L409 F526 | P255-P471 HydrophobicContact CB-CG 3.55Å; P255-P471 HydrophobicContact CG-CB 4.47Å; P255-P471 HydrophobicContact CG-CG 3.68Å; L409-P471 WeakPolarHBondContact CD1-O 3.27Å; P471-F526 HydrophobicContact CB-CZ 4.27Å |
| 472 | N | 85.8 | Confident | 92.5 | Very high | 86 Ų | 86 | 33.1 Ų | 33.1 | 46% | 0.46 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -97.1 | 124.3 | 177.4 | -63.4 | -70.3 | 0 | 0 | 0 | 109 | Q257 G469 | Q257-N472 PolarHBondContact NE2-OD1 2.91Å; G469-N472 CarbonylContact C-O 3.6Å; G469-N472 WeakPolarHBondContact CA-O 3.45Å; G469-N472 CarbonylContact O-C 3.42Å |
| 473 | P | 89.5 | Confident | 93 | Very high | 98 Ų | 98 | 31.7 Ų | 31.7 | 64% | 0.636 | 17% | 0.166 | S | C | * | . | trans | -57.8 | 140.5 | 171.6 | -26.6 | 36 | 0 | 0 | 0 | 112.5 | L409 G469 | L409-P473 HydrophobicContact CD2-CG 4.29Å; G469-P473 WeakPolarHBondContact O-CA 3.41Å | ||
| 474 | T | 91.6 | Very high | 93.2 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 23% | 0.227 | 16% | 0.162 | C | C | . | . | trans | -143.1 | 125.9 | 179.3 | 50.9 | 0 | 0 | 0 | 0 | 108.4 | G469 D476 H477 | G469-T474 WeakPolarHBondContact CA-OG1 3.32Å; G469-T474 PolarHBondContact N-OG1 3.4Å; T474-D476 PolarHBondContact O-N 3.24Å; T474-H477 WeakPolarHBondContact O-CB 3.43Å; T474-H477 PolarHBondContact O-CD2 3.04Å; T474-H477 PolarHBondContact O-N 2.79Å | ||
| 475 | E | 92.7 | Very high | 93.4 | Very high | 197 Ų | 197 | 31.1 Ų | 31.1 | 92% | 0.921 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -29.2 | -174.2 | -61.9 | -179 | 164.8 | 0 | 0 | 113.1 | H477 | E475-H477 VanDerWaalsContact C-N 3.33Å; E475-H477 PolarHBondContact O-CD2 3.03Å; E475-H477 PolarHBondContact O-N 3.33Å |
| 476 | D | 94.5 | Very high | 93.4 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 35% | 0.348 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 16.9 | -179.8 | 58.9 | -26.6 | 0 | 0 | 0 | 114 | T474 A478 E479 R480 | T474-D476 PolarHBondContact O-N 3.24Å; D476-A478 VanDerWaalsContact C-N 3.29Å; D476-A478 PolarHBondContact O-N 2.6Å; D476-E479 PolarHBondContact O-N 3.07Å; D476-R480 VanDerWaalsContact CG-NH2 3.31Å; D476-R480 WeakPolarHBondContact O-CG 3.06Å; D476-R480 PolarHBondContact O-N 3.19Å; D476-R480 VanDerWaalsContact O-N 3.09Å; D476-R480 IonicContact OD1-CZ 3.86Å; D476-R480 IonicContact OD1-NE 2.63Å; D476-R480 PolarHBondContact OD1-NE 3.28Å; D476-R480 IonicContact OD1-NH2 2.87Å; D476-R480 PolarHBondContact OD1-NH2 2.74Å; D476-R480 IonicContact OD2-CZ 3.28Å; D476-R480 IonicContact OD2-NE 2.86Å; D476-R480 PolarHBondContact OD2-NE 3.31Å; D476-R480 IonicContact OD2-NH2 2.67Å; D476-R480 PolarHBondContact OD2-NH2 2.99Å |
| 477 | H | 96 | Very high | 93.5 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -49.7 | -43 | -177.1 | 61.5 | 100 | 0 | 0 | 0 | 113.8 | N411 S413 S468 T474 E475 T481 F557 | N411-H477 PolarHBondContact O-CD2 3.41Å; N411-H477 PolarHBondContact O-CE1 2.92Å; N411-H477 VanDerWaalsContact O-CG 3.26Å; N411-H477 PolarHBondContact O-ND1 2.97Å; S413-H477 PolarHBondContact OG-ND1 2.76Å; S468-H477 WeakPolarHBondContact CB-O 3.37Å; T474-H477 WeakPolarHBondContact O-CB 3.43Å; T474-H477 PolarHBondContact O-CD2 3.04Å; T474-H477 PolarHBondContact O-N 2.79Å; E475-H477 VanDerWaalsContact C-N 3.33Å; E475-H477 PolarHBondContact O-CD2 3.03Å; E475-H477 PolarHBondContact O-N 3.33Å; H477-T481 WeakPolarHBondContact O-CB 3.36Å; H477-T481 PolarHBondContact O-N 3.11Å; H477-T481 VanDerWaalsContact O-N 3.09Å; H477-T481 PolarHBondContact O-OG1 3.1Å; H477-F557 AromaticContact CE1-CD1 3.83Å; H477-F557 AromaticContact CE1-CE1 3.7Å; H477-F557 AromaticContact NE2-CD1 3.58Å; H477-F557 AromaticContact NE2-CE1 3.4Å; H477-F557 WeakPolarHBondContact NE2-CE1 3.42Å |
| 478 | A | 96.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.1 | -39.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | S413 D476 T481 V482 F557 V558 | S413-A478 WeakPolarHBondContact OG-CA 3.21Å; D476-A478 VanDerWaalsContact C-N 3.29Å; D476-A478 PolarHBondContact O-N 2.6Å; A478-T481 PolarHBondContact O-N 3.09Å; A478-V482 WeakPolarHBondContact O-CG2 3.42Å; A478-V482 PolarHBondContact O-N 2.95Å; A478-F557 HydrophobicContact CB-CB 3.6Å; A478-F557 HydrophobicContact CB-CG 4.22Å; A478-V558 HydrophobicContact CB-CG1 3.57Å |
| 479 | E | 95.7 | Very high | 93.5 | Very high | 50 Ų | 50 | 33 Ų | 33 | 23% | 0.234 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 175.3 | -173.4 | -173.9 | 158.9 | 0 | 0 | 110.6 | D476 T481 V482 E483 I561 R609 K613 | D476-E479 PolarHBondContact O-N 3.07Å; E479-T481 PolarHBondContact O-N 2.94Å; E479-V482 PolarHBondContact O-N 3Å; E479-E483 PolarHBondContact O-N 3.31Å; E479-I561 HydrophobicContact CB-CD1 4.26Å; E479-I561 HydrophobicContact CG-CD1 4.24Å; E479-R609 IonicContact OE1-CZ 2.83Å; E479-R609 IonicContact OE1-NH1 2.74Å; E479-R609 PolarHBondContact OE1-NH1 3.36Å; E479-R609 IonicContact OE1-NH2 2.77Å; E479-R609 PolarHBondContact OE1-NH2 2.76Å; E479-K613 IonicContact OE1-NZ 3.05Å |
| 480 | R | 95.5 | Very high | 93.7 | Very high | 70 Ų | 70 | 35.8 Ų | 35.8 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 177.1 | -69.5 | -178.4 | -171.5 | -164 | 10.3 | 112.2 | V452 D476 V482 E483 M484 | V452-R480 HydrophobicContact CG1-CB 4.04Å; V452-R480 WeakPolarHBondContact CG1-O 3.27Å; V452-R480 WeakPolarHBondContact O-CD 3.39Å; D476-R480 VanDerWaalsContact CG-NH2 3.31Å; D476-R480 WeakPolarHBondContact O-CG 3.06Å; D476-R480 PolarHBondContact O-N 3.19Å; D476-R480 VanDerWaalsContact O-N 3.09Å; D476-R480 IonicContact OD1-CZ 3.86Å; D476-R480 IonicContact OD1-NE 2.63Å; D476-R480 PolarHBondContact OD1-NE 3.28Å; D476-R480 IonicContact OD1-NH2 2.87Å; D476-R480 PolarHBondContact OD1-NH2 2.74Å; D476-R480 IonicContact OD2-CZ 3.28Å; D476-R480 IonicContact OD2-NE 2.86Å; D476-R480 PolarHBondContact OD2-NE 3.31Å; D476-R480 IonicContact OD2-NH2 2.67Å; D476-R480 PolarHBondContact OD2-NH2 2.99Å; R480-V482 VanDerWaalsContact C-N 3.3Å; R480-V482 PolarHBondContact O-N 3.31Å; R480-E483 PolarHBondContact O-N 2.89Å; R480-M484 WeakPolarHBondContact O-CB 3.46Å; R480-M484 PolarHBondContact O-N 3.09Å |
| 481 | T | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -33.5 | -178.1 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | S413 L415 S468 H477 A478 E479 G485 V509 | S413-T481 VanDerWaalsContact CB-OG1 3.31Å; S413-T481 WeakPolarHBondContact CB-OG1 3.32Å; L415-T481 HydrophobicContact CB-CG2 3.58Å; L415-T481 HydrophobicContact CD1-CG2 4.26Å; L415-T481 WeakPolarHBondContact CD1-O 3.23Å; S468-T481 WeakPolarHBondContact CB-OG1 3.46Å; H477-T481 WeakPolarHBondContact O-CB 3.36Å; H477-T481 PolarHBondContact O-N 3.11Å; H477-T481 VanDerWaalsContact O-N 3.09Å; H477-T481 PolarHBondContact O-OG1 3.1Å; A478-T481 PolarHBondContact O-N 3.09Å; E479-T481 PolarHBondContact O-N 2.94Å; T481-G485 PolarHBondContact O-N 3.33Å; T481-V509 HydrophobicContact CG2-CG1 3.58Å; T481-V509 HydrophobicContact CG2-CG2 4.13Å |
| 482 | V | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.1 | -43.4 | 172.6 | 170.2 | 0 | 0 | 0 | 0 | 112 | A478 E479 R480 M484 G485 R486 I550 T554 Y562 I606 | A478-V482 WeakPolarHBondContact O-CG2 3.42Å; A478-V482 PolarHBondContact O-N 2.95Å; E479-V482 PolarHBondContact O-N 3Å; R480-V482 VanDerWaalsContact C-N 3.3Å; R480-V482 PolarHBondContact O-N 3.31Å; V482-M484 VanDerWaalsContact C-N 3.34Å; V482-M484 PolarHBondContact O-N 3.24Å; V482-G485 PolarHBondContact O-N 2.89Å; V482-R486 WeakPolarHBondContact O-CG 3.18Å; V482-R486 PolarHBondContact O-N 2.82Å; V482-I550 HydrophobicContact CG2-CG2 4.2Å; V482-T554 HydrophobicContact CG2-CG2 4.31Å; V482-Y562 HydrophobicContact CB-CE2 4.23Å; V482-Y562 HydrophobicContact CG1-CD1 4.36Å; V482-Y562 HydrophobicContact CG1-CD2 4.22Å; V482-Y562 HydrophobicContact CG1-CE1 3.88Å; V482-Y562 HydrophobicContact CG1-CE2 3.72Å; V482-I606 HydrophobicContact CG1-CD1 3.79Å; V482-I606 HydrophobicContact CG1-CG1 3.85Å; V482-I606 HydrophobicContact CG1-CG2 4.48Å; V482-I606 HydrophobicContact CG2-CD1 4.49Å |
| 483 | E | 95.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -37.3 | 175.4 | -74.6 | -64.4 | -168.1 | 0 | 0 | 112.6 | V452 E479 R480 G485 R486 A487 Y562 R609 | V452-E483 HydrophobicContact CG1-CB 4.34Å; E479-E483 PolarHBondContact O-N 3.31Å; R480-E483 PolarHBondContact O-N 2.89Å; E483-G485 VanDerWaalsContact C-N 3.3Å; E483-G485 PolarHBondContact O-N 3.38Å; E483-R486 VanDerWaalsContact CD-NH1 3.26Å; E483-R486 PolarHBondContact O-N 2.66Å; E483-R486 IonicContact OE1-NH1 2.69Å; E483-R486 PolarHBondContact OE1-NH1 3.16Å; E483-R486 WeakPolarHBondContact OE2-CD 3.41Å; E483-R486 IonicContact OE2-CZ 3.13Å; E483-R486 IonicContact OE2-NE 2.92Å; E483-R486 IonicContact OE2-NH1 3.98Å; E483-R486 PolarHBondContact OE2-NH1 3.05Å; E483-A487 VanDerWaalsContact O-CB 3.29Å; E483-A487 WeakPolarHBondContact O-CB 3.28Å; E483-A487 PolarHBondContact O-N 3.3Å; E483-Y562 WeakPolarHBondContact CG-OH 3.4Å; E483-Y562 PolarHBondContact OE1-OH 3.48Å; E483-R609 VanDerWaalsContact OE1-CD 3.31Å; E483-R609 WeakPolarHBondContact OE1-CD 3.35Å; E483-R609 IonicContact OE1-CZ 2.95Å; E483-R609 IonicContact OE1-NE 3.06Å; E483-R609 IonicContact OE1-NH1 3.27Å; E483-R609 PolarHBondContact OE1-NH1 3.44Å |
| 484 | M | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.1 | -45.7 | 172.5 | -176.5 | 67.5 | -165.4 | 0 | 0 | 110.5 | L415 F445 L448 C449 V452 Y464 R480 V482 A487 M488 | L415-M484 HydrophobicContact CD1-CB 4.3Å; L415-M484 HydrophobicContact CD1-CG 4.24Å; F445-M484 HydrophobicContact CB-CE 4.48Å; L448-M484 HydrophobicContact CB-CE 3.76Å; L448-M484 HydrophobicContact CB-SD 3.78Å; C449-M484 HydrophobicContact CB-CE 4.34Å; C449-M484 WeakPolarHBondContact SG-CE 3.39Å; V452-M484 HydrophobicContact CB-SD 4.46Å; V452-M484 HydrophobicContact CG1-CB 4.18Å; V452-M484 HydrophobicContact CG2-SD 4.46Å; Y464-M484 HydrophobicContact CE1-CE 4.34Å; R480-M484 WeakPolarHBondContact O-CB 3.46Å; R480-M484 PolarHBondContact O-N 3.09Å; V482-M484 VanDerWaalsContact C-N 3.34Å; V482-M484 PolarHBondContact O-N 3.24Å; M484-A487 PolarHBondContact O-N 2.74Å; M484-M488 HydrophobicContact CE-CG 3.79Å; M484-M488 HydrophobicContact CE-SD 3.66Å; M484-M488 HydrophobicContact CG-SD 4.13Å; M484-M488 VanDerWaalsContact O-CG 3.25Å; M484-M488 WeakPolarHBondContact O-CG 3.46Å; M484-M488 PolarHBondContact O-N 2.9Å |
| 485 | G | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T481 V482 E483 A487 M488 C489 V548 | T481-G485 PolarHBondContact O-N 3.33Å; V482-G485 PolarHBondContact O-N 2.89Å; E483-G485 VanDerWaalsContact C-N 3.3Å; E483-G485 PolarHBondContact O-N 3.38Å; G485-A487 VanDerWaalsContact C-N 3.33Å; G485-A487 PolarHBondContact O-N 3.47Å; G485-M488 PolarHBondContact O-N 2.69Å; G485-C489 PolarHBondContact O-N 3.39Å; G485-C489 VanDerWaalsContact O-N 3.1Å; G485-C489 PolarHBondContact O-SG 3.18Å; G485-V548 VanDerWaalsContact C-CG2 3.47Å |
| 486 | R | 95.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 24.3 Ų | 24.3 | 15% | 0.151 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.2 | -66.1 | 173.9 | 74.7 | -139.9 | 8.2 | 111.5 | V482 E483 C489 L490 V548 V615 | V482-R486 WeakPolarHBondContact O-CG 3.18Å; V482-R486 PolarHBondContact O-N 2.82Å; E483-R486 VanDerWaalsContact CD-NH1 3.26Å; E483-R486 PolarHBondContact O-N 2.66Å; E483-R486 IonicContact OE1-NH1 2.69Å; E483-R486 PolarHBondContact OE1-NH1 3.16Å; E483-R486 WeakPolarHBondContact OE2-CD 3.41Å; E483-R486 IonicContact OE2-CZ 3.13Å; E483-R486 IonicContact OE2-NE 2.92Å; E483-R486 IonicContact OE2-NH1 3.98Å; E483-R486 PolarHBondContact OE2-NH1 3.05Å; R486-C489 PolarHBondContact O-N 3.09Å; R486-L490 PolarHBondContact O-N 3.39Å; R486-V548 HydrophobicContact CG-CG2 4.21Å; R486-V615 HydrophobicContact CB-CG1 3.93Å; R486-V615 HydrophobicContact CB-CG2 4.34Å |
| 487 | A | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.5 | -37 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L448 E483 M484 G485 L490 A491 V615 V616 | L448-A487 HydrophobicContact CD1-CB 3.79Å; L448-A487 HydrophobicContact CD2-CB 3.93Å; L448-A487 HydrophobicContact CG-CB 4.4Å; E483-A487 VanDerWaalsContact O-CB 3.29Å; E483-A487 WeakPolarHBondContact O-CB 3.28Å; E483-A487 PolarHBondContact O-N 3.3Å; M484-A487 PolarHBondContact O-N 2.74Å; G485-A487 VanDerWaalsContact C-N 3.33Å; G485-A487 PolarHBondContact O-N 3.47Å; A487-L490 PolarHBondContact O-N 3.45Å; A487-A491 VanDerWaalsContact O-CB 3.27Å; A487-A491 WeakPolarHBondContact O-CB 3.49Å; A487-A491 PolarHBondContact O-N 2.85Å; A487-V615 HydrophobicContact CB-CG1 4.06Å; A487-V616 VanDerWaalsContact CB-O 3.23Å; A487-V616 WeakPolarHBondContact CB-O 3.31Å |
| 488 | M | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 174.1 | -71.6 | 174.7 | 79 | 0 | 0 | 112 | L415 A417 F445 Y464 M484 G485 L490 A491 I492 M505 | L415-M488 HydrophobicContact CD1-SD 4.4Å; L415-M488 HydrophobicContact CD2-CE 4.4Å; L415-M488 HydrophobicContact CD2-SD 3.79Å; A417-M488 HydrophobicContact CB-CE 3.59Å; A417-M488 HydrophobicContact CB-SD 4.37Å; F445-M488 HydrophobicContact CB-CE 4.48Å; F445-M488 HydrophobicContact CD1-CB 4.42Å; F445-M488 HydrophobicContact CD1-CE 4.18Å; F445-M488 HydrophobicContact CD1-CG 3.89Å; F445-M488 HydrophobicContact CD2-CE 3.57Å; F445-M488 HydrophobicContact CE1-CB 4.11Å; F445-M488 HydrophobicContact CE1-CE 4.27Å; F445-M488 HydrophobicContact CE1-CG 4.08Å; F445-M488 HydrophobicContact CE2-CE 3.69Å; F445-M488 HydrophobicContact CG-CE 3.84Å; F445-M488 HydrophobicContact CG-CG 4.33Å; F445-M488 HydrophobicContact CZ-CE 4.05Å; Y464-M488 HydrophobicContact CD1-CE 3.6Å; Y464-M488 HydrophobicContact CD1-SD 4.42Å; Y464-M488 HydrophobicContact CE1-CE 4.2Å; Y464-M488 HydrophobicContact CG-CE 4.11Å; M484-M488 HydrophobicContact CE-CG 3.79Å; M484-M488 HydrophobicContact CE-SD 3.66Å; M484-M488 HydrophobicContact CG-SD 4.13Å; M484-M488 VanDerWaalsContact O-CG 3.25Å; M484-M488 WeakPolarHBondContact O-CG 3.46Å; M484-M488 PolarHBondContact O-N 2.9Å; G485-M488 PolarHBondContact O-N 2.69Å; M488-L490 VanDerWaalsContact C-N 3.34Å; M488-L490 PolarHBondContact O-N 2.94Å; M488-A491 PolarHBondContact O-N 2.67Å; M488-I492 PolarHBondContact O-N 2.7Å; M488-M505 HydrophobicContact CB-SD 4.38Å; M488-M505 HydrophobicContact CE-SD 3.97Å |
| 489 | C | 95 | Very high | 94.5 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.054 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -40.7 | 174.5 | -69.8 | 0 | 0 | 0 | 0 | 112.6 | G485 R486 I492 Q493 G546 | G485-C489 PolarHBondContact O-N 3.39Å; G485-C489 VanDerWaalsContact O-N 3.1Å; G485-C489 PolarHBondContact O-SG 3.18Å; R486-C489 PolarHBondContact O-N 3.09Å; C489-I492 WeakPolarHBondContact O-CG2 3.46Å; C489-Q493 VanDerWaalsContact O-CG 3.29Å; C489-Q493 WeakPolarHBondContact O-CG 3.25Å; C489-Q493 PolarHBondContact O-N 3.42Å; C489-G546 PolarHBondContact SG-O 3.09Å; C489-G546 VanDerWaalsContact SG-O 3.35Å |
| 490 | L | 94.5 | Very high | 94.3 | Very high | 61 Ų | 61 | 37.1 Ų | 37.1 | 32% | 0.319 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.7 | -40.3 | 174.1 | -66 | -173.6 | 0 | 0 | 0 | 112.5 | R486 A487 M488 I492 Q493 Q494 V615 | R486-L490 PolarHBondContact O-N 3.39Å; A487-L490 PolarHBondContact O-N 3.45Å; M488-L490 VanDerWaalsContact C-N 3.34Å; M488-L490 PolarHBondContact O-N 2.94Å; L490-I492 VanDerWaalsContact C-N 3.32Å; L490-I492 PolarHBondContact O-N 2.99Å; L490-Q493 WeakPolarHBondContact O-CB 3.33Å; L490-Q493 PolarHBondContact O-N 3Å; L490-Q494 WeakPolarHBondContact O-CG 3.47Å; L490-Q494 PolarHBondContact O-N 3.17Å; L490-V615 HydrophobicContact CD1-CB 3.58Å; L490-V615 HydrophobicContact CD1-CG1 3.69Å; L490-V615 HydrophobicContact CD1-CG2 3.93Å; L490-V615 HydrophobicContact CG-CG1 4.4Å |
| 491 | A | 94.6 | Very high | 94 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.9 | -29.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F445 L448 A487 M488 F495 | F445-A491 HydrophobicContact CD1-CB 4.46Å; F445-A491 HydrophobicContact CE1-CB 4.2Å; L448-A491 HydrophobicContact CD1-CB 3.82Å; A487-A491 VanDerWaalsContact O-CB 3.27Å; A487-A491 WeakPolarHBondContact O-CB 3.49Å; A487-A491 PolarHBondContact O-N 2.85Å; M488-A491 PolarHBondContact O-N 2.67Å; A491-F495 WeakPolarHBondContact O-CB 3.35Å; A491-F495 PolarHBondContact O-N 2.94Å |
| 492 | I | 94.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -78.2 | -32.7 | 172 | -161.9 | 167 | 0 | 0 | 0 | 112.6 | I419 L441 M488 C489 L490 F495 D496 V503 M505 | I419-I492 HydrophobicContact CG2-CD1 4.35Å; L441-I492 HydrophobicContact CD1-CB 4.19Å; L441-I492 HydrophobicContact CD1-CD1 4.42Å; L441-I492 HydrophobicContact CD1-CG1 3.99Å; L441-I492 HydrophobicContact CD2-CD1 4.15Å; L441-I492 HydrophobicContact CD2-CG1 4.47Å; M488-I492 PolarHBondContact O-N 2.7Å; C489-I492 WeakPolarHBondContact O-CG2 3.46Å; L490-I492 VanDerWaalsContact C-N 3.32Å; L490-I492 PolarHBondContact O-N 2.99Å; I492-F495 PolarHBondContact O-N 3.41Å; I492-D496 PolarHBondContact O-N 3.35Å; I492-V503 HydrophobicContact CD1-CB 4.43Å; I492-V503 HydrophobicContact CD1-CG2 4.23Å; I492-V503 HydrophobicContact CG1-CG2 4.06Å; I492-M505 HydrophobicContact CD1-CB 4.03Å; I492-M505 HydrophobicContact CD1-CE 4.08Å; I492-M505 HydrophobicContact CG2-CB 3.87Å |
| 493 | Q | 93.6 | Very high | 93.5 | Very high | 92 Ų | 92 | 42 Ų | 42 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.3 | -48.9 | 169.8 | -73 | 167.4 | 0.4 | 0 | 0 | 110.7 | C489 L490 F495 D496 E497 | C489-Q493 VanDerWaalsContact O-CG 3.29Å; C489-Q493 WeakPolarHBondContact O-CG 3.25Å; C489-Q493 PolarHBondContact O-N 3.42Å; L490-Q493 WeakPolarHBondContact O-CB 3.33Å; L490-Q493 PolarHBondContact O-N 3Å; Q493-F495 VanDerWaalsContact C-N 3.29Å; Q493-F495 PolarHBondContact O-N 3.01Å; Q493-D496 PolarHBondContact O-N 2.84Å; Q493-E497 WeakPolarHBondContact O-CG 3.35Å; Q493-E497 PolarHBondContact O-N 3.49Å |
| 494 | Q | 92.7 | Very high | 93.5 | Very high | 62 Ų | 62 | 44.1 Ų | 44.1 | 29% | 0.29 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -37.8 | 173.7 | -70.1 | 177.4 | -25.5 | 0 | 0 | 112.7 | L490 D498 | L490-Q494 WeakPolarHBondContact O-CG 3.47Å; L490-Q494 PolarHBondContact O-N 3.17Å; Q494-D498 WeakPolarHBondContact O-CB 3.37Å; Q494-D498 PolarHBondContact O-N 3.27Å; Q494-D498 VanDerWaalsContact O-OD2 3.11Å |
| 495 | F | 93.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | 176.6 | 172.9 | -90.9 | 0 | 0 | 0 | 112.4 | L437 D440 L441 A491 I492 Q493 D498 H499 E501 V503 | L437-F495 HydrophobicContact CB-CZ 4.12Å; L437-F495 HydrophobicContact CD2-CE2 4.39Å; L437-F495 HydrophobicContact CD2-CZ 3.92Å; D440-F495 HydrophobicContact CB-CE2 4.27Å; L441-F495 HydrophobicContact CB-CD2 4Å; L441-F495 HydrophobicContact CB-CE2 3.95Å; L441-F495 HydrophobicContact CB-CG 4.35Å; L441-F495 HydrophobicContact CB-CZ 4.25Å; L441-F495 HydrophobicContact CD1-CB 3.98Å; L441-F495 HydrophobicContact CD1-CD1 4.19Å; L441-F495 HydrophobicContact CD1-CD2 4.29Å; L441-F495 HydrophobicContact CD1-CG 3.88Å; L441-F495 HydrophobicContact CD2-CD1 4.49Å; L441-F495 HydrophobicContact CD2-CE1 4.48Å; A491-F495 WeakPolarHBondContact O-CB 3.35Å; A491-F495 PolarHBondContact O-N 2.94Å; I492-F495 PolarHBondContact O-N 3.41Å; Q493-F495 VanDerWaalsContact C-N 3.29Å; Q493-F495 PolarHBondContact O-N 3.01Å; F495-D498 PolarHBondContact O-N 2.81Å; F495-H499 AromaticContact CD2-CE1 3.78Å; F495-H499 AromaticContact CD2-ND1 3.52Å; F495-H499 AromaticContact CE2-CE1 3.63Å; F495-H499 AromaticContact CE2-ND1 3.47Å; F495-H499 WeakPolarHBondContact CE2-ND1 3.4Å; F495-H499 AromaticContact CZ-ND1 3.97Å; F495-H499 WeakPolarHBondContact O-CB 3.31Å; F495-H499 PolarHBondContact O-N 2.94Å; F495-H499 PolarHBondContact O-ND1 3.49Å; F495-E501 HydrophobicContact CE1-CG 4.43Å; F495-V503 HydrophobicContact CD1-CG2 3.94Å; F495-V503 HydrophobicContact CE1-CG2 4.08Å |
| 496 | D | 93.4 | Very high | 93.4 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 21% | 0.214 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.1 | -34.4 | 176.8 | -158.7 | 48.2 | 0 | 0 | 0 | 112.1 | I492 Q493 D498 S500 E501 E502 V503 | I492-D496 PolarHBondContact O-N 3.35Å; Q493-D496 PolarHBondContact O-N 2.84Å; D496-D498 VanDerWaalsContact C-N 3.34Å; D496-S500 VanDerWaalsContact O-CA 3.26Å; D496-S500 WeakPolarHBondContact O-CA 3.43Å; D496-S500 PolarHBondContact O-N 3Å; D496-E501 WeakPolarHBondContact OD1-CA 3.33Å; D496-E501 PolarHBondContact OD1-N 2.84Å; D496-E502 WeakPolarHBondContact OD1-CA 3.18Å; D496-E502 PolarHBondContact OD1-N 2.92Å; D496-V503 HydrophobicContact CB-CG2 4.1Å; D496-V503 PolarHBondContact OD1-N 2.81Å; D496-V503 VanDerWaalsContact OD1-N 3.13Å |
| 497 | E | 92 | Very high | 93.5 | Very high | 155 Ų | 155 | 44.9 Ų | 44.9 | 72% | 0.724 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.5 | -42 | 167.6 | -72.5 | 174.5 | 172.5 | 0 | 0 | 111.7 | Q493 | Q493-E497 WeakPolarHBondContact O-CG 3.35Å; Q493-E497 PolarHBondContact O-N 3.49Å |
| 498 | D | 91.5 | Very high | 93.5 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 51% | 0.508 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.4 | -34 | 179.2 | -74.2 | -37.8 | 0 | 0 | 0 | 113.7 | R444 Q494 F495 D496 | R444-D498 IonicContact CZ-OD2 3.88Å; R444-D498 IonicContact NH1-OD2 3.75Å; R444-D498 PolarHBondContact NH1-OD2 3.32Å; R444-D498 IonicContact NH2-OD2 3.7Å; R444-D498 PolarHBondContact NH2-OD2 3.36Å; Q494-D498 WeakPolarHBondContact O-CB 3.37Å; Q494-D498 PolarHBondContact O-N 3.27Å; Q494-D498 VanDerWaalsContact O-OD2 3.11Å; F495-D498 PolarHBondContact O-N 2.81Å; D496-D498 VanDerWaalsContact C-N 3.34Å |
| 499 | H | 89.9 | Confident | 93.6 | Very high | 43 Ų | 43 | 44.8 Ų | 44.8 | 20% | 0.199 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -119.1 | -17.6 | -168.7 | -62.9 | 88 | 0 | 0 | 0 | 115.8 | Y436 L437 D440 F495 E501 | Y436-H499 AromaticContact CE1-NE2 3.95Å; L437-H499 HydrophobicContact CD2-CB 4.29Å; L437-H499 VanDerWaalsContact CD2-CD2 3.42Å; L437-H499 WeakPolarHBondContact CD2-CD2 3.05Å; D440-H499 IonicContact OD2-CE1 2.75Å; D440-H499 PolarHBondContact OD2-CE1 3.4Å; D440-H499 VanDerWaalsContact OD2-CE1 3.23Å; D440-H499 IonicContact OD2-NE2 2.7Å; F495-H499 AromaticContact CD2-CE1 3.78Å; F495-H499 AromaticContact CD2-ND1 3.52Å; F495-H499 AromaticContact CE2-CE1 3.63Å; F495-H499 AromaticContact CE2-ND1 3.47Å; F495-H499 WeakPolarHBondContact CE2-ND1 3.4Å; F495-H499 AromaticContact CZ-ND1 3.97Å; F495-H499 WeakPolarHBondContact O-CB 3.31Å; F495-H499 PolarHBondContact O-N 2.94Å; F495-H499 PolarHBondContact O-ND1 3.49Å; H499-E501 HydrophobicContact CB-CG 3.79Å |
| 500 | S | 91.4 | Very high | 93.7 | Very high | 100 Ų | 100 | 44.4 Ų | 44.4 | 70% | 0.699 | 23% | 0.225 | S | C | * | . | trans | 54.2 | 59.2 | -177.2 | -57.8 | 0 | 0 | 0 | 0 | 113.8 | D496 | D496-S500 VanDerWaalsContact O-CA 3.26Å; D496-S500 WeakPolarHBondContact O-CA 3.43Å; D496-S500 PolarHBondContact O-N 3Å | ||
| 501 | E | 88 | Confident | 93.8 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | trans | -102.7 | -8.7 | -176.2 | -63.2 | -69.2 | -178.3 | 0 | 0 | 113.7 | M425 K429 L437 F495 D496 H499 V503 | M425-E501 HydrophobicContact CG-CB 4.05Å; M425-E501 HydrophobicContact CG-CG 4.21Å; M425-E501 HydrophobicContact SD-CB 4.26Å; M425-E501 HydrophobicContact SD-CG 4.3Å; K429-E501 WeakPolarHBondContact CE-OE2 3.42Å; K429-E501 IonicContact NZ-OE1 2.74Å; K429-E501 PolarHBondContact NZ-OE1 2.84Å; K429-E501 IonicContact NZ-OE2 3.09Å; K429-E501 PolarHBondContact NZ-OE2 3.48Å; L437-E501 VanDerWaalsContact CD1-OE1 3.28Å; L437-E501 WeakPolarHBondContact CD1-OE1 3.42Å; F495-E501 HydrophobicContact CE1-CG 4.43Å; D496-E501 WeakPolarHBondContact OD1-CA 3.33Å; D496-E501 PolarHBondContact OD1-N 2.84Å; H499-E501 HydrophobicContact CB-CG 3.79Å; E501-V503 HydrophobicContact CB-CG1 4Å; E501-V503 HydrophobicContact CB-CG2 4.23Å | ||
| 502 | E | 91.7 | Very high | 93.8 | Very high | 140 Ų | 140 | 42.6 Ų | 42.6 | 65% | 0.654 | 22% | 0.219 | S | C | * | . | trans | 59.5 | 45 | -171.7 | -57.6 | 177.4 | -156.2 | 0 | 0 | 113.2 | K424 D496 | K424-E502 VanDerWaalsContact NZ-CD 3.29Å; K424-E502 IonicContact NZ-OE1 3.3Å; K424-E502 IonicContact NZ-OE2 3.52Å; K424-E502 PolarHBondContact NZ-OE2 3.11Å; D496-E502 WeakPolarHBondContact OD1-CA 3.18Å; D496-E502 PolarHBondContact OD1-N 2.92Å | ||
| 503 | V | 92.7 | Very high | 93.6 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | trans | -106 | 147 | -177.6 | -65 | 0 | 0 | 0 | 0 | 114.1 | I419 M425 I492 F495 D496 E501 | I419-V503 HydrophobicContact CG2-CB 4.27Å; I419-V503 HydrophobicContact CG2-CG1 4.26Å; M425-V503 HydrophobicContact CB-CG1 4.19Å; M425-V503 HydrophobicContact CG-CG1 4.39Å; M425-V503 HydrophobicContact SD-CG1 3.97Å; I492-V503 HydrophobicContact CD1-CB 4.43Å; I492-V503 HydrophobicContact CD1-CG2 4.23Å; I492-V503 HydrophobicContact CG1-CG2 4.06Å; F495-V503 HydrophobicContact CD1-CG2 3.94Å; F495-V503 HydrophobicContact CE1-CG2 4.08Å; D496-V503 HydrophobicContact CB-CG2 4.1Å; D496-V503 PolarHBondContact OD1-N 2.81Å; D496-V503 VanDerWaalsContact OD1-N 3.13Å; E501-V503 HydrophobicContact CB-CG1 4Å; E501-V503 HydrophobicContact CB-CG2 4.23Å | ||
| 504 | N | 94.1 | Very high | 93.6 | Very high | 54 Ų | 54 | 41 Ų | 41 | 29% | 0.289 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 177.5 | 174.5 | -164.9 | -7.4 | 0 | 0 | 0 | 109.4 | I419 V420 A545 G546 | I419-N504 CarbonylContact C-O 3.57Å; V420-N504 WeakPolarHBondContact CA-O 3.44Å; V420-N504 HydrophobicContact CB-CB 4.39Å; V420-N504 WeakPolarHBondContact CB-O 3.34Å; V420-N504 PolarHBondContact N-O 2.89Å; V420-N504 PolarHBondContact O-N 2.87Å; N504-A545 HydrophobicContact CB-CB 4.45Å; N504-G546 PolarHBondContact OD1-N 3.07Å |
| 505 | M | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 137.2 | -174.4 | -175.7 | 146.1 | -83.6 | 0 | 0 | 112.3 | A417 D418 I419 F445 M488 I492 V507 A545 G546 | A417-M505 HydrophobicContact CB-CE 4.4Å; A417-M505 HydrophobicContact CB-CG 3.97Å; A417-M505 HydrophobicContact CB-SD 3.7Å; D418-M505 VanDerWaalsContact O-CA 3.27Å; D418-M505 WeakPolarHBondContact O-CA 3.44Å; I419-M505 HydrophobicContact CB-CE 4.39Å; I419-M505 HydrophobicContact CG1-CE 3.47Å; I419-M505 VanDerWaalsContact CG1-CE 3.47Å; F445-M505 HydrophobicContact CE2-CE 3.86Å; F445-M505 HydrophobicContact CE2-SD 4Å; F445-M505 HydrophobicContact CZ-CE 3.89Å; F445-M505 HydrophobicContact CZ-SD 3.66Å; M488-M505 HydrophobicContact CB-SD 4.38Å; M488-M505 HydrophobicContact CE-SD 3.97Å; I492-M505 HydrophobicContact CD1-CB 4.03Å; I492-M505 HydrophobicContact CD1-CE 4.08Å; I492-M505 HydrophobicContact CG2-CB 3.87Å; M505-V507 HydrophobicContact CG-CG2 3.92Å; M505-A545 CarbonylContact O-C 3.51Å; M505-A545 WeakPolarHBondContact O-CA 3.43Å; M505-G546 PolarHBondContact O-N 3.36Å |
| 506 | R | 96.4 | Very high | 93.3 | Very high | 56 Ų | 56 | 38.3 Ų | 38.3 | 21% | 0.211 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 143 | 159.7 | -68.3 | -173.3 | -54.2 | -81.8 | -8.1 | 108.2 | A417 D418 V420 E540 G543 | A417-R506 CarbonylContact C-O 3.57Å; A417-R506 WeakPolarHBondContact CA-O 3.45Å; D418-R506 PolarHBondContact N-O 3.06Å; D418-R506 PolarHBondContact O-N 3.04Å; D418-R506 IonicContact OD2-CZ 3.72Å; D418-R506 IonicContact OD2-NH1 2.71Å; D418-R506 IonicContact OD2-NH2 3.34Å; D418-R506 PolarHBondContact OD2-NH2 2.97Å; V420-R506 HydrophobicContact CG2-CG 3.83Å; R506-E540 HydrophobicContact CB-CG 4.48Å; R506-E540 WeakPolarHBondContact CB-OE1 3.31Å; R506-E540 IonicContact CZ-OE1 3.31Å; R506-E540 PolarHBondContact NE-O 3.3Å; R506-E540 IonicContact NE-OE1 3.62Å; R506-E540 PolarHBondContact NE-OE1 3.47Å; R506-E540 IonicContact NH2-OE1 3.95Å; R506-E540 PolarHBondContact NH2-OE1 3.37Å; R506-E540 IonicContact NH2-OE2 3.04Å; R506-G543 WeakPolarHBondContact CD-O 3.3Å |
| 507 | V | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.9 | 174 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | L415 F416 A417 M505 V509 V548 H549 | L415-V507 HydrophobicContact CD1-CG1 3.69Å; L415-V507 HydrophobicContact CD2-CG1 4.22Å; L415-V507 HydrophobicContact CG-CG1 3.76Å; F416-V507 WeakPolarHBondContact O-CA 3.21Å; A417-V507 HydrophobicContact CB-CG1 4.44Å; A417-V507 HydrophobicContact CB-CG2 4.01Å; M505-V507 HydrophobicContact CG-CG2 3.92Å; V507-V509 HydrophobicContact CG1-CG2 4.39Å; V507-V548 HydrophobicContact CB-CG2 4.35Å; V507-V548 HydrophobicContact CG1-CG1 4.19Å; V507-V548 HydrophobicContact CG1-CG2 4.44Å; V507-H549 WeakPolarHBondContact O-CB 3.37Å; V507-H549 PolarHBondContact O-N 2.77Å |
| 508 | G | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L415 F416 H549 | L415-G508 WeakPolarHBondContact CA-O 3.39Å; F416-G508 PolarHBondContact N-O 2.86Å; F416-G508 PolarHBondContact O-N 3Å; G508-H549 CarbonylContact C-O 3.57Å; G508-H549 WeakPolarHBondContact CA-O 3.49Å |
| 509 | V | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.8 | 177.8 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | V414 L415 T481 V507 V548 H549 I550 S551 T554 | V414-V509 WeakPolarHBondContact O-CA 3.45Å; L415-V509 HydrophobicContact CB-CG2 4.15Å; L415-V509 HydrophobicContact CD1-CG2 4.05Å; L415-V509 HydrophobicContact CG-CG2 4.12Å; T481-V509 HydrophobicContact CG2-CG1 3.58Å; T481-V509 HydrophobicContact CG2-CG2 4.13Å; V507-V509 HydrophobicContact CG1-CG2 4.39Å; V509-V548 HydrophobicContact CG2-CG1 3.87Å; V509-H549 PolarHBondContact N-O 3.29Å; V509-I550 HydrophobicContact CB-CG2 4.25Å; V509-I550 WeakPolarHBondContact O-CA 3.3Å; V509-S551 PolarHBondContact O-N 3.33Å; V509-T554 HydrophobicContact CG1-CG2 4.02Å |
| 510 | H | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159.3 | 169.2 | -178.8 | 59.5 | 0 | 0 | 0 | 111 | S413 V414 D532 A536 S551 T554 | S413-H510 CarbonylContact C-O 3.45Å; S413-H510 WeakPolarHBondContact CA-O 3.45Å; V414-H510 PolarHBondContact N-O 3.09Å; V414-H510 PolarHBondContact O-N 3.05Å; H510-D532 PolarHBondContact CD2-O 2.88Å; H510-D532 VanDerWaalsContact CD2-O 3.24Å; H510-D532 IonicContact NE2-OD1 2.72Å; H510-A536 HydrophobicContact CB-CB 3.85Å; H510-S551 WeakPolarHBondContact ND1-CB 3.25Å; H510-S551 PolarHBondContact ND1-OG 2.95Å; H510-T554 WeakPolarHBondContact CA-OG1 3.32Å |
| 511 | T | 96.8 | Very high | 91.1 | Very high | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.037 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125 | -176.8 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | V412 S413 T554 F557 | V412-T511 WeakPolarHBondContact O-CA 3.2Å; S413-T511 PolarHBondContact OG-OG1 3.22Å; T511-T554 WeakPolarHBondContact CB-OG1 3.37Å; T511-T554 PolarHBondContact N-OG1 3.35Å; T511-T554 WeakPolarHBondContact OG1-CB 3.31Å; T511-T554 PolarHBondContact OG1-OG1 2.98Å; T511-F557 HydrophobicContact CG2-CD2 3.94Å; T511-F557 HydrophobicContact CG2-CE2 3.67Å; T511-F557 HydrophobicContact CG2-CZ 4.17Å |
| 512 | G | 93.7 | Very high | 90.8 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 19% | 0.186 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | -146.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N411 V412 D532 | N411-G512 PolarHBondContact N-O 2.85Å; N411-G512 VanDerWaalsContact N-O 3.09Å; V412-G512 PolarHBondContact N-O 3.37Å; V412-G512 PolarHBondContact O-N 2.87Å; G512-D532 VanDerWaalsContact CA-OD2 3.31Å; G512-D532 WeakPolarHBondContact CA-OD2 3.29Å |
| 513 | K | 92 | Very high | 90.2 | Very high | 57 Ų | 57 | 20.9 Ų | 20.9 | 25% | 0.248 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 152.5 | 175 | 51.9 | 167.1 | -174.3 | 178.3 | 0 | 110.7 | L409 E410 S530 D532 E1171 | L409-K513 CarbonylContact O-C 3.44Å; L409-K513 VanDerWaalsContact O-CA 3.31Å; L409-K513 WeakPolarHBondContact O-CA 3.37Å; E410-K513 HydrophobicContact CG-CB 4.39Å; K513-S530 VanDerWaalsContact O-CB 3.25Å; K513-S530 WeakPolarHBondContact O-CB 3.21Å; K513-S530 PolarHBondContact O-OG 3.2Å; K513-D532 WeakPolarHBondContact CG-OD2 3.46Å; K513-D532 PolarHBondContact N-OD2 3.38Å; K513-E1171 WeakPolarHBondContact CE-OE2 3.36Å; K513-E1171 VanDerWaalsContact NZ-CB 3.32Å; K513-E1171 VanDerWaalsContact NZ-CD 3.34Å; K513-E1171 IonicContact NZ-OE2 2.81Å; K513-E1171 PolarHBondContact NZ-OE2 3.03Å |
| 514 | V | 92.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 132.9 | -179.4 | 170.3 | 0 | 0 | 0 | 0 | 109.7 | L409 V412 V414 C516 V528 V533 | L409-V514 PolarHBondContact N-O 2.86Å; L409-V514 PolarHBondContact O-N 3.22Å; V412-V514 HydrophobicContact CB-CB 4.16Å; V412-V514 HydrophobicContact CB-CG2 3.82Å; V412-V514 HydrophobicContact CG1-CB 4.17Å; V412-V514 HydrophobicContact CG1-CG2 3.73Å; V412-V514 HydrophobicContact CG2-CB 4.21Å; V412-V514 HydrophobicContact CG2-CG2 4.43Å; V414-V514 HydrophobicContact CG2-CG2 3.84Å; V514-C516 HydrophobicContact CG1-CB 4.33Å; V514-V528 HydrophobicContact CG1-CB 3.6Å; V514-V528 HydrophobicContact CG1-CG1 3.6Å; V514-V533 HydrophobicContact CG1-CG2 4.49Å; V514-V533 HydrophobicContact CG2-CG2 3.95Å |
| 515 | I | 90.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.015 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.7 | 159.4 | -43.2 | 168.3 | 0 | 0 | 0 | 107.1 | V406 N407 V528 W529 Y1169 G1175 Q1177 L1180 | V406-I515 HydrophobicContact CB-CG2 3.83Å; V406-I515 HydrophobicContact CG1-CG2 3.89Å; N407-I515 WeakPolarHBondContact O-CA 3.31Å; I515-V528 WeakPolarHBondContact O-CA 3.43Å; I515-W529 WeakPolarHBondContact CB-O 3.4Å; I515-W529 PolarHBondContact N-O 2.68Å; I515-W529 PolarHBondContact O-N 2.97Å; I515-Y1169 HydrophobicContact CD1-CE2 4.41Å; I515-Y1169 WeakPolarHBondContact CD1-OH 3.41Å; I515-G1175 WeakPolarHBondContact CD1-O 3.24Å; I515-Q1177 HydrophobicContact CG2-CG 4.16Å; I515-L1180 HydrophobicContact CB-CD1 4.05Å; I515-L1180 HydrophobicContact CD1-CD1 3.65Å; I515-L1180 HydrophobicContact CD1-CG 4.35Å; I515-L1180 HydrophobicContact CG1-CD1 4.49Å; I515-L1180 HydrophobicContact CG2-CD1 3.87Å |
| 516 | C | 90.2 | Very high | 88.3 | Confident | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.027 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 143.9 | 176.5 | 70.9 | 0 | 0 | 0 | 0 | 110.6 | V406 N407 C470 V514 F526 D527 V528 | V406-C516 WeakPolarHBondContact CA-O 3.21Å; N407-C516 PolarHBondContact N-O 3.1Å; N407-C516 PolarHBondContact O-N 3.42Å; C470-C516 VanDerWaalsContact SG-CB 3.54Å; V514-C516 HydrophobicContact CG1-CB 4.33Å; C516-F526 HydrophobicContact CB-CE1 4.43Å; C516-F526 HydrophobicContact CB-CE2 3.9Å; C516-F526 HydrophobicContact CB-CZ 3.56Å; C516-D527 WeakPolarHBondContact CA-O 3.4Å; C516-V528 HydrophobicContact CB-CG1 4.01Å |
| 517 | G | 86.8 | Confident | 87.9 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -159.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | H405 F526 D527 | H405-G517 CarbonylContact O-C 3.49Å; H405-G517 WeakPolarHBondContact O-CA 3.25Å; G517-F526 WeakPolarHBondContact O-CA 3.45Å; G517-D527 PolarHBondContact N-O 3.44Å; G517-D527 PolarHBondContact O-N 3.05Å |
| 518 | I | 84.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 18.8 Ų | 18.8 | 6% | 0.062 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.7 | -178.8 | -61.9 | -178.6 | 0 | 0 | 0 | 109.6 | M254 V258 V262 F404 H405 F524 | M254-I518 HydrophobicContact CE-CD1 3.98Å; M254-I518 HydrophobicContact SD-CD1 3.85Å; V258-I518 HydrophobicContact CG1-CD1 3.57Å; V258-I518 HydrophobicContact CG1-CG1 4.11Å; V262-I518 HydrophobicContact CG2-CD1 4.08Å; F404-I518 WeakPolarHBondContact CD2-O 3.3Å; F404-I518 WeakPolarHBondContact CE2-O 3.47Å; H405-I518 PolarHBondContact O-N 3.31Å; I518-F524 HydrophobicContact CD1-CD2 4.36Å; I518-F524 HydrophobicContact CG2-CB 3.72Å; I518-F524 HydrophobicContact CG2-CD2 3.46Å; I518-F524 VanDerWaalsContact CG2-CD2 3.46Å; I518-F524 HydrophobicContact CG2-CE2 4.32Å; I518-F524 HydrophobicContact CG2-CG 3.82Å |
| 519 | V | 81.8 | Confident | 87.3 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.03 | 10% | 0.1 | C | C | . | . | trans | -123.2 | 137.6 | 176.4 | 167.7 | 0 | 0 | 0 | 0 | 110 | F404 W529 M1183 N1184 F1187 | F404-V519 HydrophobicContact CE2-CG2 3.67Å; F404-V519 HydrophobicContact CZ-CG2 4.27Å; V519-W529 HydrophobicContact CB-CH2 3.94Å; V519-W529 HydrophobicContact CB-CZ2 3.84Å; V519-W529 HydrophobicContact CG2-CH2 3.4Å; V519-W529 VanDerWaalsContact CG2-CH2 3.4Å; V519-W529 HydrophobicContact CG2-CZ2 3.44Å; V519-W529 VanDerWaalsContact CG2-CZ2 3.44Å; V519-W529 HydrophobicContact CG2-CZ3 4.19Å; V519-M1183 HydrophobicContact CG2-CE 4.46Å; V519-N1184 HydrophobicContact CG1-CB 4.4Å; V519-F1187 HydrophobicContact CG1-CD2 3.75Å; V519-F1187 HydrophobicContact CG1-CE2 4.38Å | ||
| 520 | G | 78.6 | Confident | 86.9 | Confident | 10 Ų | 10 | 20.4 Ų | 20.4 | 10% | 0.103 | 10% | 0.102 | C | C | . | . | trans | 92 | 164.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1184 | G520-N1184 PolarHBondContact N-OD1 3.03Š| ||
| 521 | T | 80.6 | Confident | 86.5 | Confident | 62 Ų | 62 | 22.4 Ų | 22.4 | 38% | 0.38 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -106.6 | -18.8 | -179.6 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | N1132 A1188 E1191 | T521-N1132 PolarHBondContact O-OD1 2.98Å; T521-A1188 HydrophobicContact CG2-CB 3.89Å; T521-E1191 VanDerWaalsContact CA-OE2 3.3Å; T521-E1191 WeakPolarHBondContact CA-OE2 3.42Å; T521-E1191 WeakPolarHBondContact CB-OE2 3.3Å; T521-E1191 PolarHBondContact N-OE2 3.48Å; T521-E1191 PolarHBondContact OG1-OE2 3.38Å |
| 522 | R | 81.1 | Confident | 86.2 | Confident | 100 Ų | 100 | 22.4 Ų | 22.4 | 38% | 0.377 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -128 | 143.6 | 175.5 | -70.2 | -176.9 | 167.6 | -165.5 | -0.8 | 111.2 | F524 N1132 E1191 L1194 K1204 | R522-F524 PolarHBondContact O-N 3.07Å; R522-F524 VanDerWaalsContact O-N 3.16Å; R522-N1132 WeakPolarHBondContact CA-OD1 3.21Å; R522-E1191 HydrophobicContact CB-CG 4.37Å; R522-E1191 PolarHBondContact N-OE2 3.31Å; R522-L1194 PolarHBondContact NH1-O 3.26Å; R522-K1204 WeakPolarHBondContact O-CD 3.49Å; R522-K1204 PolarHBondContact O-NZ 3.05Å |
| 523 | R | 79.8 | Confident | 86.2 | Confident | 38 Ų | 38 | 22.2 Ų | 22.2 | 14% | 0.143 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 48.4 | 41.1 | -177.9 | -56 | -88 | 173.6 | -95 | -18.4 | 111.3 | E1131 N1132 I1133 I1134 E1203 K1204 | R523-E1131 PolarHBondContact NH1-O 3.39Å; R523-N1132 VanDerWaalsContact CA-O 3.29Å; R523-N1132 WeakPolarHBondContact CA-O 3.35Å; R523-N1132 PolarHBondContact N-O 2.9Å; R523-N1132 PolarHBondContact NH1-O 3.1Å; R523-I1133 VanDerWaalsContact NH1-C 3.25Å; R523-I1133 PolarHBondContact NH1-O 3.46Å; R523-I1134 PolarHBondContact NH1-O 3.48Å; R523-E1203 IonicContact NH2-OE2 3.22Å; R523-K1204 HydrophobicContact CB-CD 3.96Å; R523-K1204 HydrophobicContact CB-CG 4.22Å; R523-K1204 HydrophobicContact CG-CB 4.28Å; R523-K1204 HydrophobicContact CG-CD 4.38Å; R523-K1204 HydrophobicContact CG-CG 4.3Å |
| 524 | F | 76.9 | Confident | 86.1 | Confident | 22 Ų | 22 | 22.8 Ų | 22.8 | 10% | 0.096 | 12% | 0.116 | C | C | . | . | trans | -83.7 | 146.2 | 178.5 | 64 | -103 | 0 | 0 | 0 | 109.4 | M254 I518 R522 W1128 N1132 | M254-F524 HydrophobicContact CE-CE2 4.06Å; I518-F524 HydrophobicContact CD1-CD2 4.36Å; I518-F524 HydrophobicContact CG2-CB 3.72Å; I518-F524 HydrophobicContact CG2-CD2 3.46Å; I518-F524 VanDerWaalsContact CG2-CD2 3.46Å; I518-F524 HydrophobicContact CG2-CE2 4.32Å; I518-F524 HydrophobicContact CG2-CG 3.82Å; R522-F524 PolarHBondContact O-N 3.07Å; R522-F524 VanDerWaalsContact O-N 3.16Å; F524-W1128 AromaticContact CE1-CH2 3.95Å; F524-W1128 HydrophobicContact CE1-CH2 3.95Å; F524-W1128 HydrophobicContact CZ-CH2 4Å; F524-W1128 HydrophobicContact CZ-CZ3 4.22Å; F524-N1132 HydrophobicContact CE1-CB 4.21Å | ||
| 525 | K | 78.9 | Confident | 86 | Confident | 34 Ų | 34 | 22.7 Ų | 22.7 | 15% | 0.148 | 12% | 0.115 | C | C | . | . | trans | -134.4 | 162.8 | 177.7 | 55 | 161.4 | -176.7 | 152.9 | 0 | 108.9 | A458 Y465 D527 | A458-K525 HydrophobicContact CB-CD 4.03Å; Y465-K525 PolarHBondContact OH-NZ 2.81Å; K525-D527 WeakPolarHBondContact CE-OD2 3.42Å; K525-D527 IonicContact NZ-OD1 3.07Å; K525-D527 PolarHBondContact NZ-OD1 3.3Å; K525-D527 IonicContact NZ-OD2 3.85Å; K525-D527 PolarHBondContact NZ-OD2 2.79Å | ||
| 526 | F | 84.7 | Confident | 86.2 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.013 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 131.7 | 160.2 | -174.5 | -110.2 | 0 | 0 | 0 | 108.7 | M254 P255 V258 I457 P471 C516 G517 | M254-F526 HydrophobicContact CB-CB 3.99Å; P255-F526 HydrophobicContact CG-CD1 4.09Å; P255-F526 HydrophobicContact CG-CE1 3.93Å; P255-F526 HydrophobicContact CG-CG 4.48Å; P255-F526 HydrophobicContact CG-CZ 4.19Å; V258-F526 HydrophobicContact CG2-CD2 4.2Å; V258-F526 HydrophobicContact CG2-CE2 3.99Å; I457-F526 HydrophobicContact CD1-CD1 3.84Å; I457-F526 HydrophobicContact CD1-CE1 3.77Å; P471-F526 HydrophobicContact CB-CZ 4.27Å; C516-F526 HydrophobicContact CB-CE1 4.43Å; C516-F526 HydrophobicContact CB-CE2 3.9Å; C516-F526 HydrophobicContact CB-CZ 3.56Å; G517-F526 WeakPolarHBondContact O-CA 3.45Å |
| 527 | D | 88.4 | Confident | 86.3 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 5% | 0.048 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 171.6 | 179.1 | -150.4 | -1.3 | 0 | 0 | 0 | 111.5 | I457 Y465 C516 G517 K525 W529 | I457-D527 VanDerWaalsContact CG2-OD1 3.31Å; I457-D527 WeakPolarHBondContact CG2-OD1 3.25Å; Y465-D527 PolarHBondContact OH-OD1 2.93Å; C516-D527 WeakPolarHBondContact CA-O 3.4Å; G517-D527 PolarHBondContact N-O 3.44Å; G517-D527 PolarHBondContact O-N 3.05Å; K525-D527 WeakPolarHBondContact CE-OD2 3.42Å; K525-D527 IonicContact NZ-OD1 3.07Å; K525-D527 PolarHBondContact NZ-OD1 3.3Å; K525-D527 IonicContact NZ-OD2 3.85Å; K525-D527 PolarHBondContact NZ-OD2 2.79Å; D527-W529 HydrophobicContact CB-CH2 3.67Å; D527-W529 HydrophobicContact CB-CZ2 3.73Å; D527-W529 HydrophobicContact CB-CZ3 4.25Å; D527-W529 WeakPolarHBondContact O-CZ3 3.43Å |
| 528 | V | 91.1 | Very high | 86.5 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.036 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.3 | -175.4 | -68.5 | 0 | 0 | 0 | 0 | 112 | I457 Y465 V467 V514 I515 C516 V533 | I457-V528 HydrophobicContact CD1-CG1 3.92Å; I457-V528 HydrophobicContact CG1-CG1 4.28Å; I457-V528 HydrophobicContact CG1-CG2 4.18Å; I457-V528 HydrophobicContact CG2-CG2 4.39Å; Y465-V528 HydrophobicContact CD2-CG2 4.48Å; Y465-V528 HydrophobicContact CE2-CG2 3.99Å; V467-V528 HydrophobicContact CG1-CG1 4.4Å; V467-V528 HydrophobicContact CG1-CG2 4.44Å; V514-V528 HydrophobicContact CG1-CB 3.6Å; V514-V528 HydrophobicContact CG1-CG1 3.6Å; I515-V528 WeakPolarHBondContact O-CA 3.43Å; C516-V528 HydrophobicContact CB-CG1 4.01Å; V528-V533 HydrophobicContact CB-CG2 4.26Å; V528-V533 HydrophobicContact CG2-CG1 4.14Å; V528-V533 HydrophobicContact CG2-CG2 4.19Å |
| 529 | W | 89.7 | Confident | 87 | Confident | 28 Ų | 28 | 27.6 Ų | 27.6 | 11% | 0.106 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.6 | -179.3 | -57.4 | -88.5 | 0 | 0 | 0 | 110.7 | I515 V519 D527 L1180 | I515-W529 WeakPolarHBondContact CB-O 3.4Å; I515-W529 PolarHBondContact N-O 2.68Å; I515-W529 PolarHBondContact O-N 2.97Å; V519-W529 HydrophobicContact CB-CH2 3.94Å; V519-W529 HydrophobicContact CB-CZ2 3.84Å; V519-W529 HydrophobicContact CG2-CH2 3.4Å; V519-W529 VanDerWaalsContact CG2-CH2 3.4Å; V519-W529 HydrophobicContact CG2-CZ2 3.44Å; V519-W529 VanDerWaalsContact CG2-CZ2 3.44Å; V519-W529 HydrophobicContact CG2-CZ3 4.19Å; D527-W529 HydrophobicContact CB-CH2 3.67Å; D527-W529 HydrophobicContact CB-CZ2 3.73Å; D527-W529 HydrophobicContact CB-CZ3 4.25Å; D527-W529 WeakPolarHBondContact O-CZ3 3.43Å; W529-L1180 HydrophobicContact CB-CD1 3.9Å; W529-L1180 HydrophobicContact CB-CD2 4.11Å; W529-L1180 HydrophobicContact CD2-CD1 4Å; W529-L1180 HydrophobicContact CD2-CD2 4.34Å; W529-L1180 HydrophobicContact CE3-CD1 3.91Å; W529-L1180 HydrophobicContact CG-CD1 4.02Å; W529-L1180 HydrophobicContact CG-CD2 3.91Å |
| 530 | S | 89.2 | Confident | 87.6 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | trans | -169.8 | 163 | 159.8 | 178.9 | 0 | 0 | 0 | 0 | 108.3 | K513 D532 V533 T534 E1171 | K513-S530 VanDerWaalsContact O-CB 3.25Å; K513-S530 WeakPolarHBondContact O-CB 3.21Å; K513-S530 PolarHBondContact O-OG 3.2Å; S530-D532 PolarHBondContact O-N 3.15Å; S530-D532 PolarHBondContact OG-N 3.35Å; S530-V533 WeakPolarHBondContact O-CB 3.37Å; S530-V533 PolarHBondContact O-N 3.37Å; S530-T534 PolarHBondContact O-N 3.22Å; S530-T534 PolarHBondContact O-OG1 3.37Å; S530-E1171 WeakPolarHBondContact CA-OE1 3.37Å; S530-E1171 WeakPolarHBondContact CB-OE1 3.4Å; S530-E1171 PolarHBondContact OG-OE1 2.89Å | ||
| 531 | N | 87.9 | Confident | 88.2 | Confident | 41 Ų | 41 | 30.9 Ų | 30.9 | 22% | 0.219 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.2 | -32.5 | 161.6 | -66.5 | -48.5 | 0 | 0 | 0 | 112 | V533 T534 L535 R574 E1171 | N531-V533 VanDerWaalsContact C-N 3.32Å; N531-V533 PolarHBondContact O-N 2.83Å; N531-T534 WeakPolarHBondContact O-CB 3.41Å; N531-T534 PolarHBondContact O-N 3.34Å; N531-L535 PolarHBondContact O-N 3.28Å; N531-R574 HydrophobicContact CB-CG 3.59Å; N531-E1171 PolarHBondContact N-OE1 3.26Å; N531-E1171 PolarHBondContact ND2-OE2 3.32Å |
| 532 | D | 92.1 | Very high | 88.7 | Confident | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.4 | -29.7 | 176.6 | -66.2 | -13.7 | 0 | 0 | 0 | 112.1 | H510 G512 K513 S530 A536 R574 | H510-D532 PolarHBondContact CD2-O 2.88Å; H510-D532 VanDerWaalsContact CD2-O 3.24Å; H510-D532 IonicContact NE2-OD1 2.72Å; G512-D532 VanDerWaalsContact CA-OD2 3.31Å; G512-D532 WeakPolarHBondContact CA-OD2 3.29Å; K513-D532 WeakPolarHBondContact CG-OD2 3.46Å; K513-D532 PolarHBondContact N-OD2 3.38Å; S530-D532 PolarHBondContact O-N 3.15Å; S530-D532 PolarHBondContact OG-N 3.35Å; D532-A536 PolarHBondContact O-N 3.07Å; D532-R574 WeakPolarHBondContact OD1-CD 3.34Å; D532-R574 IonicContact OD1-CZ 2.74Å; D532-R574 IonicContact OD1-NE 3.34Å; D532-R574 IonicContact OD1-NH1 2.83Å; D532-R574 PolarHBondContact OD1-NH1 2.72Å |
| 533 | V | 92.5 | Very high | 89.1 | Confident | 13 Ų | 13 | 26 Ų | 26 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70 | -41.9 | 171.4 | -179.2 | 0 | 0 | 0 | 0 | 110.5 | V414 F416 V514 V528 S530 N531 L535 A536 N537 | V414-V533 HydrophobicContact CG1-CG1 4.47Å; V414-V533 HydrophobicContact CG2-CG2 4.37Å; F416-V533 HydrophobicContact CE2-CG1 3.9Å; F416-V533 HydrophobicContact CZ-CG1 3.93Å; V514-V533 HydrophobicContact CG1-CG2 4.49Å; V514-V533 HydrophobicContact CG2-CG2 3.95Å; V528-V533 HydrophobicContact CB-CG2 4.26Å; V528-V533 HydrophobicContact CG2-CG1 4.14Å; V528-V533 HydrophobicContact CG2-CG2 4.19Å; S530-V533 WeakPolarHBondContact O-CB 3.37Å; S530-V533 PolarHBondContact O-N 3.37Å; N531-V533 VanDerWaalsContact C-N 3.32Å; N531-V533 PolarHBondContact O-N 2.83Å; V533-L535 VanDerWaalsContact C-N 3.33Å; V533-L535 PolarHBondContact O-N 2.74Å; V533-A536 WeakPolarHBondContact O-CB 3.4Å; V533-A536 PolarHBondContact O-N 2.98Å; V533-N537 PolarHBondContact O-N 3.26Å |
| 534 | T | 89.8 | Confident | 89.8 | Confident | 69 Ų | 69 | 28.8 Ų | 28.8 | 42% | 0.423 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.8 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | S530 N531 A536 N537 E538 I573 | S530-T534 PolarHBondContact O-N 3.22Å; S530-T534 PolarHBondContact O-OG1 3.37Å; N531-T534 WeakPolarHBondContact O-CB 3.41Å; N531-T534 PolarHBondContact O-N 3.34Å; T534-A536 PolarHBondContact O-N 3.21Å; T534-N537 WeakPolarHBondContact O-CB 3.21Å; T534-N537 PolarHBondContact O-N 3.12Å; T534-N537 VanDerWaalsContact O-N 3.17Å; T534-E538 PolarHBondContact O-N 3.16Å; T534-I573 HydrophobicContact CG2-CD1 3.64Å |
| 535 | L | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 175.7 | -179.7 | 56.8 | 0 | 0 | 0 | 112.1 | N531 V533 N537 E538 M539 V570 I601 | N531-L535 PolarHBondContact O-N 3.28Å; V533-L535 VanDerWaalsContact C-N 3.33Å; V533-L535 PolarHBondContact O-N 2.74Å; L535-N537 VanDerWaalsContact C-N 3.27Å; L535-N537 PolarHBondContact O-N 3.29Å; L535-E538 PolarHBondContact O-N 3.32Å; L535-E538 VanDerWaalsContact O-N 3.14Å; L535-M539 VanDerWaalsContact O-CG 3.3Å; L535-M539 WeakPolarHBondContact O-CG 3.27Å; L535-M539 PolarHBondContact O-N 3.04Å; L535-V570 HydrophobicContact CD1-CG1 3.88Å; L535-I601 HydrophobicContact CD1-CD1 4.05Å; L535-I601 HydrophobicContact CD2-CD1 3.39Å; L535-I601 HydrophobicContact CG-CD1 4.39Å |
| 536 | A | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -36.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | V414 F416 H510 D532 V533 T534 M539 E540 | V414-A536 HydrophobicContact CB-CB 3.81Å; V414-A536 HydrophobicContact CG1-CB 3.71Å; F416-A536 HydrophobicContact CD2-CB 3.71Å; F416-A536 HydrophobicContact CE2-CB 3.96Å; H510-A536 HydrophobicContact CB-CB 3.85Å; D532-A536 PolarHBondContact O-N 3.07Å; V533-A536 WeakPolarHBondContact O-CB 3.4Å; V533-A536 PolarHBondContact O-N 2.98Å; T534-A536 PolarHBondContact O-N 3.21Å; A536-M539 WeakPolarHBondContact O-CB 3.49Å; A536-E540 PolarHBondContact O-N 3.32Å |
| 537 | N | 92.2 | Very high | 91.8 | Very high | 65 Ų | 65 | 32.3 Ų | 32.3 | 35% | 0.348 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -72.4 | -35.5 | 174.3 | 178.6 | 87.5 | 0 | 0 | 0 | 112.1 | F416 V533 T534 L535 E540 S541 | F416-N537 HydrophobicContact CD1-CB 4.08Å; F416-N537 HydrophobicContact CD2-CB 4.09Å; F416-N537 HydrophobicContact CE1-CB 4.06Å; F416-N537 HydrophobicContact CE2-CB 4.04Å; F416-N537 HydrophobicContact CG-CB 4.11Å; F416-N537 HydrophobicContact CZ-CB 4.04Å; V533-N537 PolarHBondContact O-N 3.26Å; T534-N537 WeakPolarHBondContact O-CB 3.21Å; T534-N537 PolarHBondContact O-N 3.12Å; T534-N537 VanDerWaalsContact O-N 3.17Å; L535-N537 VanDerWaalsContact C-N 3.27Å; L535-N537 PolarHBondContact O-N 3.29Å; N537-E540 PolarHBondContact O-N 2.98Å; N537-S541 PolarHBondContact O-N 3.27Å; N537-S541 VanDerWaalsContact O-N 3.11Å |
| 538 | E | 91.5 | Very high | 92.2 | Very high | 60 Ų | 60 | 32.1 Ų | 32.1 | 28% | 0.28 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.3 | -39 | 171 | -69.5 | -168.2 | 162.6 | 0 | 0 | 112.2 | T534 L535 E540 S541 S542 V570 | T534-E538 PolarHBondContact O-N 3.16Å; L535-E538 PolarHBondContact O-N 3.32Å; L535-E538 VanDerWaalsContact O-N 3.14Å; E538-E540 VanDerWaalsContact C-N 3.3Å; E538-E540 PolarHBondContact O-N 3.29Å; E538-S541 PolarHBondContact O-N 3.43Å; E538-S541 PolarHBondContact O-OG 3.16Å; E538-S542 WeakPolarHBondContact O-CB 3.22Å; E538-S542 PolarHBondContact O-N 3.14Å; E538-S542 PolarHBondContact O-OG 3.2Å; E538-V570 HydrophobicContact CB-CG1 4.08Å; E538-V570 WeakPolarHBondContact OE2-CG1 3.48Å |
| 539 | M | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -38.3 | 173.7 | -70.6 | -59.9 | -51.6 | 0 | 0 | 112.6 | L535 A536 S542 G543 H549 I550 V570 T603 | L535-M539 VanDerWaalsContact O-CG 3.3Å; L535-M539 WeakPolarHBondContact O-CG 3.27Å; L535-M539 PolarHBondContact O-N 3.04Å; A536-M539 WeakPolarHBondContact O-CB 3.49Å; M539-S542 PolarHBondContact O-OG 3.42Å; M539-G543 PolarHBondContact O-N 2.94Å; M539-H549 HydrophobicContact CE-CB 4.16Å; M539-H549 VanDerWaalsContact CE-CG 3.49Å; M539-H549 WeakPolarHBondContact CE-ND1 3.46Å; M539-H549 PolarHBondContact O-ND1 2.99Å; M539-I550 WeakPolarHBondContact CE-O 3.4Å; M539-V570 HydrophobicContact SD-CG2 4.35Å; M539-T603 HydrophobicContact CE-CG2 3.72Å; M539-T603 HydrophobicContact SD-CG2 3.49Å; M539-T603 WeakPolarHBondContact SD-CG2 3.21Å |
| 540 | E | 94.6 | Very high | 92.9 | Very high | 11 Ų | 11 | 30.5 Ų | 30.5 | 5% | 0.051 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -54.8 | 173.8 | 175.2 | -70.1 | 115.9 | 0 | 0 | 110 | F416 D418 R506 A536 N537 E538 S542 G543 | F416-E540 HydrophobicContact CB-CB 3.73Å; F416-E540 HydrophobicContact CB-CG 4.1Å; D418-E540 HydrophobicContact CB-CG 4.13Å; D418-E540 WeakPolarHBondContact CB-OE1 3.25Å; R506-E540 HydrophobicContact CB-CG 4.48Å; R506-E540 WeakPolarHBondContact CB-OE1 3.31Å; R506-E540 IonicContact CZ-OE1 3.31Å; R506-E540 PolarHBondContact NE-O 3.3Å; R506-E540 IonicContact NE-OE1 3.62Å; R506-E540 PolarHBondContact NE-OE1 3.47Å; R506-E540 IonicContact NH2-OE1 3.95Å; R506-E540 PolarHBondContact NH2-OE1 3.37Å; R506-E540 IonicContact NH2-OE2 3.04Å; A536-E540 PolarHBondContact O-N 3.32Å; N537-E540 PolarHBondContact O-N 2.98Å; E538-E540 VanDerWaalsContact C-N 3.3Å; E538-E540 PolarHBondContact O-N 3.29Å; E540-S542 PolarHBondContact O-N 2.91Å; E540-S542 VanDerWaalsContact O-N 3.07Å; E540-G543 PolarHBondContact O-N 3.14Å |
| 541 | S | 90.3 | Very high | 93.2 | Very high | 73 Ų | 73 | 30.2 Ų | 30.2 | 51% | 0.51 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.8 | -19.8 | -171 | 73.7 | 0 | 0 | 0 | 0 | 114.3 | N537 E538 | N537-S541 PolarHBondContact O-N 3.27Å; N537-S541 VanDerWaalsContact O-N 3.11Å; E538-S541 PolarHBondContact O-N 3.43Å; E538-S541 PolarHBondContact O-OG 3.16Å |
| 542 | S | 90.9 | Very high | 93.6 | Very high | 48 Ų | 48 | 32.5 Ų | 32.5 | 34% | 0.336 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -5.5 | 176.1 | 57.4 | 0 | 0 | 0 | 0 | 114 | E538 M539 E540 H549 | E538-S542 WeakPolarHBondContact O-CB 3.22Å; E538-S542 PolarHBondContact O-N 3.14Å; E538-S542 PolarHBondContact O-OG 3.2Å; M539-S542 PolarHBondContact O-OG 3.42Å; E540-S542 PolarHBondContact O-N 2.91Å; E540-S542 VanDerWaalsContact O-N 3.07Å; S542-H549 PolarHBondContact OG-CE1 3.1Å |
| 543 | G | 91.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 12% | 0.124 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -78 | 171.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | R506 M539 E540 | R506-G543 WeakPolarHBondContact CD-O 3.3Å; M539-G543 PolarHBondContact O-N 2.94Å; E540-G543 PolarHBondContact O-N 3.14Å |
| 544 | E | 94.1 | Very high | 93.9 | Very high | 96 Ų | 96 | 33.1 Ų | 33.1 | 45% | 0.449 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -100 | 144.2 | 176.7 | -69.4 | -178 | 175.8 | 0 | 0 | 111 | G546 K547 F605 | E544-G546 PolarHBondContact O-N 3.03Å; E544-K547 HydrophobicContact CB-CB 4.43Å; E544-K547 PolarHBondContact O-N 3.46Å; E544-F605 HydrophobicContact CB-CE1 4.01Å; E544-F605 HydrophobicContact CB-CZ 4.15Å; E544-F605 HydrophobicContact CG-CE1 4.07Å; E544-F605 HydrophobicContact CG-CE2 4.3Å; E544-F605 HydrophobicContact CG-CZ 3.68Å |
| 545 | A | 94.2 | Very high | 94.2 | Very high | 49 Ų | 49 | 31.1 Ų | 31.1 | 41% | 0.405 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 130.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V420 N504 M505 K547 | V420-A545 HydrophobicContact CG2-CB 4.03Å; N504-A545 HydrophobicContact CB-CB 4.45Å; M505-A545 CarbonylContact O-C 3.51Å; M505-A545 WeakPolarHBondContact O-CA 3.43Å; A545-K547 VanDerWaalsContact C-N 3.33Å |
| 546 | G | 93.4 | Very high | 94.3 | Very high | 25 Ų | 25 | 34.4 Ų | 34.4 | 26% | 0.258 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -8.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C489 N504 M505 E544 | C489-G546 PolarHBondContact SG-O 3.09Å; C489-G546 VanDerWaalsContact SG-O 3.35Å; N504-G546 PolarHBondContact OD1-N 3.07Å; M505-G546 PolarHBondContact O-N 3.36Å; E544-G546 PolarHBondContact O-N 3.03Å |
| 547 | K | 94.8 | Very high | 94.4 | Very high | 59 Ų | 59 | 38.7 Ų | 38.7 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -108.2 | 153.3 | 178.6 | -68.2 | -164.6 | 173.6 | -167 | 0 | 112.5 | E544 A545 F605 E607 | E544-K547 HydrophobicContact CB-CB 4.43Å; E544-K547 PolarHBondContact O-N 3.46Å; A545-K547 VanDerWaalsContact C-N 3.33Å; K547-F605 HydrophobicContact CB-CD1 3.92Å; K547-F605 HydrophobicContact CD-CB 3.97Å; K547-F605 HydrophobicContact CD-CD1 4.23Å; K547-F605 HydrophobicContact CD-CG 4.07Å; K547-E607 VanDerWaalsContact NZ-CD 3.29Å; K547-E607 IonicContact NZ-OE1 3.31Å; K547-E607 PolarHBondContact NZ-OE1 2.89Å; K547-E607 IonicContact NZ-OE2 2.65Å; K547-E607 PolarHBondContact NZ-OE2 3.32Å |
| 548 | V | 97 | Very high | 94.5 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 111.9 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | G485 R486 V507 V509 I550 F605 I606 | G485-V548 VanDerWaalsContact C-CG2 3.47Å; R486-V548 HydrophobicContact CG-CG2 4.21Å; V507-V548 HydrophobicContact CB-CG2 4.35Å; V507-V548 HydrophobicContact CG1-CG1 4.19Å; V507-V548 HydrophobicContact CG1-CG2 4.44Å; V509-V548 HydrophobicContact CG2-CG1 3.87Å; V548-I550 HydrophobicContact CG1-CG2 4.01Å; V548-F605 WeakPolarHBondContact O-CA 3.41Å; V548-I606 HydrophobicContact CB-CB 4.25Å; V548-I606 HydrophobicContact CB-CG1 4.08Å; V548-I606 HydrophobicContact CG1-CG1 4.28Å; V548-I606 PolarHBondContact O-N 2.77Å |
| 549 | H | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 119 | 179.6 | -165.8 | -153.8 | 0 | 0 | 0 | 109.4 | V507 G508 V509 M539 S542 T603 Y604 F605 | V507-H549 WeakPolarHBondContact O-CB 3.37Å; V507-H549 PolarHBondContact O-N 2.77Å; G508-H549 CarbonylContact C-O 3.57Å; G508-H549 WeakPolarHBondContact CA-O 3.49Å; V509-H549 PolarHBondContact N-O 3.29Å; M539-H549 HydrophobicContact CE-CB 4.16Å; M539-H549 VanDerWaalsContact CE-CG 3.49Å; M539-H549 WeakPolarHBondContact CE-ND1 3.46Å; M539-H549 PolarHBondContact O-ND1 2.99Å; S542-H549 PolarHBondContact OG-CE1 3.1Å; H549-T603 WeakPolarHBondContact NE2-CB 3.41Å; H549-T603 PolarHBondContact NE2-OG1 3.17Å; H549-Y604 CarbonylContact C-O 3.1Å; H549-Y604 PolarHBondContact CD2-O 2.69Å; H549-F605 HydrophobicContact CB-CD1 3.79Å; H549-F605 HydrophobicContact CB-CE1 3.59Å; H549-F605 AromaticContact CD2-CD1 3.64Å; H549-F605 AromaticContact CD2-CE1 3.26Å; H549-F605 WeakPolarHBondContact CD2-CE1 3.41Å; H549-F605 AromaticContact CD2-CZ 3.58Å; H549-F605 AromaticContact CG-CD1 3.94Å; H549-F605 AromaticContact CG-CE1 3.43Å; H549-F605 VanDerWaalsContact CG-CE1 3.43Å; H549-F605 AromaticContact NE2-CZ 3.86Å |
| 550 | I | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.5 | -174.9 | 72.3 | 160.2 | 0 | 0 | 0 | 112 | V482 V509 M539 V548 T554 L555 V558 V564 T603 Y604 I606 | V482-I550 HydrophobicContact CG2-CG2 4.2Å; V509-I550 HydrophobicContact CB-CG2 4.25Å; V509-I550 WeakPolarHBondContact O-CA 3.3Å; M539-I550 WeakPolarHBondContact CE-O 3.4Å; V548-I550 HydrophobicContact CG1-CG2 4.01Å; I550-T554 HydrophobicContact CB-CG2 4.14Å; I550-T554 HydrophobicContact CG2-CG2 4.38Å; I550-L555 HydrophobicContact CD1-CB 3.94Å; I550-L555 HydrophobicContact CD1-CD1 4.15Å; I550-V558 HydrophobicContact CD1-CG2 4.05Å; I550-V564 HydrophobicContact CD1-CG1 4.43Å; I550-T603 WeakPolarHBondContact O-CA 3.4Å; I550-Y604 PolarHBondContact N-O 3.31Å; I550-Y604 PolarHBondContact O-N 3.06Å; I550-I606 HydrophobicContact CD1-CD1 3.86Å; I550-I606 HydrophobicContact CG1-CD1 4.4Å; I550-I606 HydrophobicContact CG2-CD1 4.08Å; I550-I606 HydrophobicContact CG2-CG1 3.84Å |
| 551 | S | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 159.4 | 173.8 | 72 | 0 | 0 | 0 | 0 | 112.7 | V509 H510 A553 T554 L555 | V509-S551 PolarHBondContact O-N 3.33Å; H510-S551 WeakPolarHBondContact ND1-CB 3.25Å; H510-S551 PolarHBondContact ND1-OG 2.95Å; S551-A553 PolarHBondContact O-N 3.15Å; S551-T554 WeakPolarHBondContact O-CA 3.4Å; S551-T554 WeakPolarHBondContact O-CB 3.47Å; S551-T554 PolarHBondContact O-N 3.14Å; S551-T554 PolarHBondContact OG-N 2.77Å; S551-T554 PolarHBondContact OG-OG1 3.31Å; S551-L555 PolarHBondContact O-N 3.04Å |
| 552 | E | 94.7 | Very high | 94.6 | Very high | 89 Ų | 89 | 41.7 Ų | 41.7 | 42% | 0.416 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -52.5 | -36.7 | 169.5 | -174.4 | 169.6 | -135.4 | 0 | 0 | 113.2 | T554 L555 S556 I601 K602 Y604 | E552-T554 VanDerWaalsContact C-N 3.27Å; E552-T554 PolarHBondContact O-N 2.83Å; E552-L555 PolarHBondContact O-N 2.94Å; E552-S556 PolarHBondContact O-N 3.33Å; E552-S556 VanDerWaalsContact O-N 3.14Å; E552-I601 HydrophobicContact CB-CG2 4.35Å; E552-K602 HydrophobicContact CB-CB 4.14Å; E552-K602 WeakPolarHBondContact CB-O 3.48Å; E552-K602 HydrophobicContact CG-CB 4.45Å; E552-K602 PolarHBondContact N-O 3.07Å; E552-Y604 HydrophobicContact CB-CE2 4.13Å |
| 553 | A | 94.7 | Very high | 94.8 | Very high | 34 Ų | 34 | 43.9 Ų | 43.9 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.7 | -18.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | S551 S556 F557 | S551-A553 PolarHBondContact O-N 3.15Å; A553-S556 PolarHBondContact O-OG 3.02Å; A553-S556 VanDerWaalsContact O-OG 3.1Å; A553-F557 VanDerWaalsContact O-CD2 3.26Å; A553-F557 WeakPolarHBondContact O-CD2 3.49Å; A553-F557 WeakPolarHBondContact O-CE2 3.31Å |
| 554 | T | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -88.1 | -40.9 | 169.9 | -55.4 | 0 | 0 | 0 | 0 | 110.3 | V482 V509 H510 T511 I550 S551 E552 S556 F557 V558 | V482-T554 HydrophobicContact CG2-CG2 4.31Å; V509-T554 HydrophobicContact CG1-CG2 4.02Å; H510-T554 WeakPolarHBondContact CA-OG1 3.32Å; T511-T554 WeakPolarHBondContact CB-OG1 3.37Å; T511-T554 PolarHBondContact N-OG1 3.35Å; T511-T554 WeakPolarHBondContact OG1-CB 3.31Å; T511-T554 PolarHBondContact OG1-OG1 2.98Å; I550-T554 HydrophobicContact CB-CG2 4.14Å; I550-T554 HydrophobicContact CG2-CG2 4.38Å; S551-T554 WeakPolarHBondContact O-CA 3.4Å; S551-T554 WeakPolarHBondContact O-CB 3.47Å; S551-T554 PolarHBondContact O-N 3.14Å; S551-T554 PolarHBondContact OG-N 2.77Å; S551-T554 PolarHBondContact OG-OG1 3.31Å; E552-T554 VanDerWaalsContact C-N 3.27Å; E552-T554 PolarHBondContact O-N 2.83Å; T554-S556 VanDerWaalsContact C-N 3.26Å; T554-S556 PolarHBondContact O-N 3.01Å; T554-F557 PolarHBondContact O-N 3.33Å; T554-F557 VanDerWaalsContact O-N 3.1Å; T554-V558 PolarHBondContact O-N 3.45Å |
| 555 | L | 96.1 | Very high | 95 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.5 | -39.2 | 178.6 | 179.5 | 62 | 0 | 0 | 0 | 111.8 | I550 S551 E552 F557 V558 K559 V564 Y604 | I550-L555 HydrophobicContact CD1-CB 3.94Å; I550-L555 HydrophobicContact CD1-CD1 4.15Å; S551-L555 PolarHBondContact O-N 3.04Å; E552-L555 PolarHBondContact O-N 2.94Å; L555-F557 PolarHBondContact O-N 3.44Å; L555-F557 VanDerWaalsContact O-N 3.08Å; L555-V558 PolarHBondContact O-N 2.98Å; L555-K559 HydrophobicContact CD1-CB 3.9Å; L555-K559 HydrophobicContact CG-CB 4.21Å; L555-K559 WeakPolarHBondContact O-CA 3.29Å; L555-K559 VanDerWaalsContact O-CB 3.23Å; L555-K559 WeakPolarHBondContact O-CB 3.45Å; L555-K559 WeakPolarHBondContact O-CG 3.48Å; L555-K559 PolarHBondContact O-N 3.12Å; L555-V564 HydrophobicContact CD1-CG1 4.15Å; L555-V564 HydrophobicContact CD1-CG2 3.96Å; L555-V564 HydrophobicContact CD2-CG2 4.44Å; L555-Y604 HydrophobicContact CB-CD2 4.19Å; L555-Y604 HydrophobicContact CB-CE2 4.43Å; L555-Y604 HydrophobicContact CD2-CD1 4.03Å; L555-Y604 HydrophobicContact CD2-CD2 3.59Å; L555-Y604 HydrophobicContact CD2-CE1 3.9Å; L555-Y604 HydrophobicContact CD2-CE2 3.45Å; L555-Y604 VanDerWaalsContact CD2-CE2 3.45Å; L555-Y604 HydrophobicContact CD2-CG 3.88Å; L555-Y604 HydrophobicContact CG-CD2 4.46Å |
| 556 | S | 95.1 | Very high | 95 | Very high | 68 Ų | 68 | 47.4 Ų | 47.4 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.7 | -27.5 | 178.4 | 59 | 0 | 0 | 0 | 0 | 114.5 | E552 A553 T554 | E552-S556 PolarHBondContact O-N 3.33Å; E552-S556 VanDerWaalsContact O-N 3.14Å; A553-S556 PolarHBondContact O-OG 3.02Å; A553-S556 VanDerWaalsContact O-OG 3.1Å; T554-S556 VanDerWaalsContact C-N 3.26Å; T554-S556 PolarHBondContact O-N 3.01Å |
| 557 | F | 95.2 | Very high | 94.9 | Very high | 91 Ų | 91 | 47 Ų | 47 | 40% | 0.399 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -90.7 | -22.2 | 176.7 | -67 | -102.1 | 0 | 0 | 0 | 113.7 | H477 A478 T511 A553 T554 L555 | H477-F557 AromaticContact CE1-CD1 3.83Å; H477-F557 AromaticContact CE1-CE1 3.7Å; H477-F557 AromaticContact NE2-CD1 3.58Å; H477-F557 AromaticContact NE2-CE1 3.4Å; H477-F557 WeakPolarHBondContact NE2-CE1 3.42Å; A478-F557 HydrophobicContact CB-CB 3.6Å; A478-F557 HydrophobicContact CB-CG 4.22Å; T511-F557 HydrophobicContact CG2-CD2 3.94Å; T511-F557 HydrophobicContact CG2-CE2 3.67Å; T511-F557 HydrophobicContact CG2-CZ 4.17Å; A553-F557 VanDerWaalsContact O-CD2 3.26Å; A553-F557 WeakPolarHBondContact O-CD2 3.49Å; A553-F557 WeakPolarHBondContact O-CE2 3.31Å; T554-F557 PolarHBondContact O-N 3.33Å; T554-F557 VanDerWaalsContact O-N 3.1Å; L555-F557 PolarHBondContact O-N 3.44Å; L555-F557 VanDerWaalsContact O-N 3.08Å |
| 558 | V | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -123.8 | -0.4 | -169.9 | -49.8 | 0 | 0 | 0 | 0 | 115 | A478 I550 T554 L555 D560 I561 Y562 | A478-V558 HydrophobicContact CB-CG1 3.57Å; I550-V558 HydrophobicContact CD1-CG2 4.05Å; T554-V558 PolarHBondContact O-N 3.45Å; L555-V558 PolarHBondContact O-N 2.98Å; V558-D560 PolarHBondContact O-N 2.98Å; V558-D560 VanDerWaalsContact O-N 3.13Å; V558-I561 WeakPolarHBondContact O-CA 3.39Å; V558-I561 WeakPolarHBondContact O-CB 3.23Å; V558-I561 PolarHBondContact O-N 3.25Å; V558-Y562 HydrophobicContact CB-CD2 3.85Å; V558-Y562 HydrophobicContact CB-CE2 4.14Å; V558-Y562 HydrophobicContact CG2-CD2 4.08Å; V558-Y562 PolarHBondContact O-N 3.08Å; V558-Y562 VanDerWaalsContact O-N 3.13Å |
| 559 | K | 91.4 | Very high | 94.1 | Very high | 107 Ų | 107 | 54.8 Ų | 54.8 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -29 | 178.3 | 54.5 | 168.3 | -171.4 | 80.8 | 0 | 115.1 | L555 I561 | L555-K559 HydrophobicContact CD1-CB 3.9Å; L555-K559 HydrophobicContact CG-CB 4.21Å; L555-K559 WeakPolarHBondContact O-CA 3.29Å; L555-K559 VanDerWaalsContact O-CB 3.23Å; L555-K559 WeakPolarHBondContact O-CB 3.45Å; L555-K559 WeakPolarHBondContact O-CG 3.48Å; L555-K559 PolarHBondContact O-N 3.12Å; K559-I561 VanDerWaalsContact C-N 3.31Å |
| 560 | D | 92.3 | Very high | 93.6 | Very high | 121 Ų | 121 | 55.5 Ų | 55.5 | 65% | 0.647 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4.4 | -178.7 | -53 | -37.7 | 0 | 0 | 0 | 111.6 | V558 | V558-D560 PolarHBondContact O-N 2.98Å; V558-D560 VanDerWaalsContact O-N 3.13Å |
| 561 | I | 94.2 | Very high | 92.8 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -31 | -175.3 | -48.2 | 175.8 | 0 | 0 | 0 | 111.7 | E479 V558 K559 R609 L610 | E479-I561 HydrophobicContact CB-CD1 4.26Å; E479-I561 HydrophobicContact CG-CD1 4.24Å; V558-I561 WeakPolarHBondContact O-CA 3.39Å; V558-I561 WeakPolarHBondContact O-CB 3.23Å; V558-I561 PolarHBondContact O-N 3.25Å; K559-I561 VanDerWaalsContact C-N 3.31Å; I561-R609 HydrophobicContact CG2-CG 4.17Å; I561-R609 WeakPolarHBondContact O-CG 3.45Å; I561-L610 PolarHBondContact O-N 2.74Å |
| 562 | Y | 95.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.02 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.6 | -176 | -59.1 | -88.3 | 0 | 0 | 0 | 113.8 | V482 E483 V558 I606 K608 R609 | V482-Y562 HydrophobicContact CB-CE2 4.23Å; V482-Y562 HydrophobicContact CG1-CD1 4.36Å; V482-Y562 HydrophobicContact CG1-CD2 4.22Å; V482-Y562 HydrophobicContact CG1-CE1 3.88Å; V482-Y562 HydrophobicContact CG1-CE2 3.72Å; E483-Y562 WeakPolarHBondContact CG-OH 3.4Å; E483-Y562 PolarHBondContact OE1-OH 3.48Å; V558-Y562 HydrophobicContact CB-CD2 3.85Å; V558-Y562 HydrophobicContact CB-CE2 4.14Å; V558-Y562 HydrophobicContact CG2-CD2 4.08Å; V558-Y562 PolarHBondContact O-N 3.08Å; V558-Y562 VanDerWaalsContact O-N 3.13Å; Y562-I606 HydrophobicContact CD1-CD1 4.39Å; Y562-I606 HydrophobicContact CD1-CG2 3.75Å; Y562-I606 HydrophobicContact CD2-CD1 4.27Å; Y562-I606 HydrophobicContact CE1-CG2 4.41Å; Y562-I606 HydrophobicContact CG-CD1 3.93Å; Y562-I606 HydrophobicContact CG-CG2 4.25Å; Y562-K608 CarbonylContact C-O 3.56Å; Y562-K608 WeakPolarHBondContact CA-O 3.47Å; Y562-K608 WeakPolarHBondContact CB-O 3.46Å; Y562-R609 HydrophobicContact CD1-CB 3.85Å; Y562-R609 HydrophobicContact CD1-CG 3.91Å; Y562-R609 HydrophobicContact CE1-CB 3.83Å; Y562-R609 HydrophobicContact CE1-CG 3.64Å |
| 563 | E | 94.6 | Very high | 90.8 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 44% | 0.444 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.3 | 164.8 | -165.7 | 175.1 | 135 | 0 | 0 | 109.3 | E607 K608 L610 | E563-E607 PolarHBondContact O-N 3.11Å; E563-K608 HydrophobicContact CB-CG 3.9Å; E563-K608 PolarHBondContact N-O 2.89Å; E563-K608 PolarHBondContact O-N 3.26Å; E563-K608 WeakPolarHBondContact OE2-CE 3.36Å; E563-K608 IonicContact OE2-NZ 2.56Å; E563-K608 PolarHBondContact OE2-NZ 2.99Å; E563-L610 HydrophobicContact CB-CD2 3.98Å |
| 564 | V | 95.7 | Very high | 89.5 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 28% | 0.279 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.2 | -171.6 | -60.2 | 0 | 0 | 0 | 0 | 113 | I550 L555 Y604 F605 I606 | I550-V564 HydrophobicContact CD1-CG1 4.43Å; L555-V564 HydrophobicContact CD1-CG1 4.15Å; L555-V564 HydrophobicContact CD1-CG2 3.96Å; L555-V564 HydrophobicContact CD2-CG2 4.44Å; V564-Y604 HydrophobicContact CG2-CD1 4.07Å; V564-Y604 HydrophobicContact CG2-CG 4.4Å; V564-F605 CarbonylContact C-O 3.57Å; V564-F605 WeakPolarHBondContact CA-O 3.28Å; V564-F605 WeakPolarHBondContact CB-O 3.47Å; V564-I606 HydrophobicContact CG1-CD1 4Å |
| 565 | S | 95 | Very high | 87.8 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 27% | 0.273 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 156.6 | 167.7 | 65 | 0 | 0 | 0 | 0 | 110.8 | Y604 F605 E607 | S565-Y604 CarbonylContact O-C 3.59Å; S565-Y604 WeakPolarHBondContact O-CA 3.49Å; S565-Y604 WeakPolarHBondContact O-CB 3.34Å; S565-F605 PolarHBondContact N-O 2.93Å; S565-F605 PolarHBondContact O-N 2.97Å; S565-E607 WeakPolarHBondContact CB-OE1 3.39Å; S565-E607 PolarHBondContact OG-OE1 2.91Å |
| 566 | E | 94.1 | Very high | 85.8 | Confident | 145 Ų | 145 | 71.3 Ų | 71.3 | 68% | 0.678 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 133.5 | 175.6 | -69.2 | -163.6 | 135.2 | 0 | 0 | 111.4 | Y604 | E566-Y604 HydrophobicContact CG-CD1 4.29Å; E566-Y604 HydrophobicContact CG-CE1 4.05Å |
| 567 | G | 90.8 | Very high | 83.5 | Confident | 17 Ų | 17 | 75.3 Ų | 75.3 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | trans | -95.4 | 178.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T603 | G567-T603 VanDerWaalsContact C-OG1 3.24Å; G567-T603 PolarHBondContact N-O 3.49Å | ||
| 568 | K | 88.7 | Confident | 81.5 | Confident | 160 Ų | 160 | 75 Ų | 75 | 70% | 0.696 | 37% | 0.366 | S | S | * | . | trans | -78.6 | 121.8 | 172.5 | -72.3 | 175.1 | -175.3 | 162.4 | 0 | 109.4 | T603 | K568-T603 PolarHBondContact N-OG1 3.47Å; K568-T603 PolarHBondContact O-OG1 3.37Å | ||
| 569 | P | 87.2 | Confident | 79.2 | Confident | 68 Ų | 68 | 79.2 Ų | 79.2 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | trans | -66.4 | 151.6 | -174.7 | 28.4 | -35.7 | 0 | 0 | 0 | 112 | M600 I601 | P569-M600 HydrophobicContact CB-CB 4.2Å; P569-M600 HydrophobicContact CB-CE 4.01Å; P569-M600 HydrophobicContact CG-CE 3.88Å; P569-M600 WeakPolarHBondContact O-CE 3.41Å; P569-I601 VanDerWaalsContact CA-O 3.23Å; P569-I601 WeakPolarHBondContact CA-O 3.46Å; P569-I601 WeakPolarHBondContact CB-O 3.34Å | ||
| 570 | V | 86.3 | Confident | 77.2 | Confident | 15 Ų | 15 | 77.4 Ų | 77.4 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 152.8 | -171.5 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | L535 E538 M539 M600 I601 T603 | L535-V570 HydrophobicContact CD1-CG1 3.88Å; E538-V570 HydrophobicContact CB-CG1 4.08Å; E538-V570 WeakPolarHBondContact OE2-CG1 3.48Å; M539-V570 HydrophobicContact SD-CG2 4.35Å; V570-M600 CarbonylContact O-C 3.45Å; V570-M600 WeakPolarHBondContact O-CA 3.49Å; V570-I601 PolarHBondContact N-O 3.49Å; V570-I601 PolarHBondContact O-N 2.68Å; V570-T603 HydrophobicContact CB-CG2 4.29Å; V570-T603 HydrophobicContact CG2-CG2 3.87Å |
| 571 | H | 81 | Confident | 75.2 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 133.7 | -180 | -82 | 22.1 | 0 | 0 | 0 | 112.5 | I573 M600 | H571-I573 VanDerWaalsContact C-N 3.33Å; H571-I573 PolarHBondContact O-N 2.83Å; H571-M600 VanDerWaalsContact CE1-SD 3.56Å; H571-M600 PolarHBondContact ND1-SD 2.92Å |
| 572 | D | 76.7 | Confident | 73.2 | Confident | 14 Ų | 14 | 81.5 Ų | 81.5 | 8% | 0.075 | 40% | 0.399 | C | S | . | . | trans | -78.3 | 80.4 | 171.1 | -162.4 | -2.2 | 0 | 0 | 0 | 110.8 | R574 K575 A599 I601 | D572-R574 PolarHBondContact O-N 2.95Å; D572-R574 WeakPolarHBondContact OD1-CB 3.47Å; D572-R574 IonicContact OD1-CZ 3.96Å; D572-R574 IonicContact OD1-NE 2.71Å; D572-R574 PolarHBondContact OD1-NE 3.41Å; D572-R574 IonicContact OD1-NH2 3.54Å; D572-R574 PolarHBondContact OD1-NH2 3.23Å; D572-R574 IonicContact OD2-NH2 3.21Å; D572-K575 HydrophobicContact CB-CD 4.18Å; D572-K575 PolarHBondContact O-N 3.27Å; D572-K575 VanDerWaalsContact OD2-CD 3.29Å; D572-K575 WeakPolarHBondContact OD2-CD 3.48Å; D572-K575 WeakPolarHBondContact OD2-CE 3.42Å; D572-K575 IonicContact OD2-NZ 3.24Å; D572-K575 PolarHBondContact OD2-NZ 2.9Å; D572-A599 HydrophobicContact CB-CB 4.07Å; D572-A599 WeakPolarHBondContact CB-O 3.35Å; D572-A599 PolarHBondContact N-O 2.72Å; D572-I601 HydrophobicContact CB-CD1 3.8Å; D572-I601 HydrophobicContact CB-CG1 3.57Å | ||
| 573 | I | 71.6 | Confident | 71 | Confident | 43 Ų | 43 | 85.2 Ų | 85.2 | 22% | 0.221 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -49.5 | -23.9 | 178.5 | 56.2 | 174.7 | 0 | 0 | 0 | 114 | T534 H571 K575 | T534-I573 HydrophobicContact CG2-CD1 3.64Å; H571-I573 VanDerWaalsContact C-N 3.33Å; H571-I573 PolarHBondContact O-N 2.83Å; I573-K575 VanDerWaalsContact C-N 3.26Å; I573-K575 PolarHBondContact O-N 3.12Å |
| 574 | R | 66.5 | Low | 69.6 | Low | 97 Ų | 97 | 82.4 Ų | 82.4 | 37% | 0.366 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -72.2 | -13.4 | 178.1 | -59.1 | 167.7 | -58.1 | -168.9 | 4.4 | 113.9 | N531 D532 D572 | N531-R574 HydrophobicContact CB-CG 3.59Å; D532-R574 WeakPolarHBondContact OD1-CD 3.34Å; D532-R574 IonicContact OD1-CZ 2.74Å; D532-R574 IonicContact OD1-NE 3.34Å; D532-R574 IonicContact OD1-NH1 2.83Å; D532-R574 PolarHBondContact OD1-NH1 2.72Å; D572-R574 PolarHBondContact O-N 2.95Å; D572-R574 WeakPolarHBondContact OD1-CB 3.47Å; D572-R574 IonicContact OD1-CZ 3.96Å; D572-R574 IonicContact OD1-NE 2.71Å; D572-R574 PolarHBondContact OD1-NE 3.41Å; D572-R574 IonicContact OD1-NH2 3.54Å; D572-R574 PolarHBondContact OD1-NH2 3.23Å; D572-R574 IonicContact OD2-NH2 3.21Å |
| 575 | K | 61.6 | Low | 68.2 | Low | 122 Ų | 122 | 88.3 Ų | 88.3 | 53% | 0.53 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -100.7 | 9.8 | -177.8 | -75 | 174.4 | -178.5 | 140.3 | 0 | 114.3 | D572 I573 K577 A599 | D572-K575 HydrophobicContact CB-CD 4.18Å; D572-K575 PolarHBondContact O-N 3.27Å; D572-K575 VanDerWaalsContact OD2-CD 3.29Å; D572-K575 WeakPolarHBondContact OD2-CD 3.48Å; D572-K575 WeakPolarHBondContact OD2-CE 3.42Å; D572-K575 IonicContact OD2-NZ 3.24Å; D572-K575 PolarHBondContact OD2-NZ 2.9Å; I573-K575 VanDerWaalsContact C-N 3.26Å; I573-K575 PolarHBondContact O-N 3.12Å; K575-K577 VanDerWaalsContact C-N 3.28Å; K575-K577 PolarHBondContact O-N 2.87Å; K575-A599 HydrophobicContact CB-CB 4.32Å; K575-A599 HydrophobicContact CD-CB 3.38Å; K575-A599 HydrophobicContact CG-CB 4.49Å |
| 576 | F | 54.3 | Low | 66.8 | Low | 127 Ų | 127 | 95.3 Ų | 95.3 | 56% | 0.557 | 45% | 0.454 | S | S | * | . | trans | -64.5 | 84.4 | 171.5 | -103.2 | -84.6 | 0 | 0 | 0 | 111.9 | V578 | F576-V578 PolarHBondContact O-N 2.92Š| ||
| 577 | K | 46.9 | Very low | 65.3 | Low | 152 Ų | 152 | 95.2 Ų | 95.2 | 66% | 0.661 | 45% | 0.453 | S | S | * | . | trans | -94.1 | 98.7 | -173.8 | -159.1 | 174.7 | -169.9 | 177.3 | 0 | 110.6 | K575 L579 | K575-K577 VanDerWaalsContact C-N 3.28Å; K575-K577 PolarHBondContact O-N 2.87Å; K577-L579 PolarHBondContact O-N 3.45Å | ||
| 578 | V | 52.2 | Low | 63.5 | Low | 85 Ų | 85 | 101.1 Ų | 101.1 | 52% | 0.515 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 95.1 | 176.3 | -176 | 0 | 0 | 0 | 0 | 109.7 | F576 I592 | F576-V578 PolarHBondContact O-N 2.92Å; V578-I592 HydrophobicContact CG1-CG2 3.73Å |
| 579 | L | 47.7 | Very low | 61.4 | Low | 88 Ų | 88 | 96 Ų | 96 | 46% | 0.461 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 116.4 | 173.4 | -94.4 | 157.9 | 0 | 0 | 0 | 110.3 | K577 E581 K593 | K577-L579 PolarHBondContact O-N 3.45Å; L579-E581 PolarHBondContact O-N 3.06Å; L579-K593 PolarHBondContact O-N 3.45Å |
| 580 | V | 49 | Very low | 59.8 | Low | 69 Ų | 69 | 98.8 Ų | 98.8 | 42% | 0.418 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 107.1 | 166.5 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | F590 | V580-F590 HydrophobicContact CG1-CB 4.49Å; V580-F590 HydrophobicContact CG1-CD1 3.84Å |
| 581 | E | 50.3 | Low | 58 | Low | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -44.4 | -178.3 | -78.4 | -165.8 | 144 | 0 | 0 | 111.6 | L579 A591 K593 | L579-E581 PolarHBondContact O-N 3.06Å; E581-A591 PolarHBondContact N-O 3.49Å; E581-K593 HydrophobicContact CG-CB 4.27Å; E581-K593 HydrophobicContact CG-CD 4.1Å; E581-K593 VanDerWaalsContact OE1-CD 3.23Å; E581-K593 WeakPolarHBondContact OE1-CD 3.48Å; E581-K593 IonicContact OE1-NZ 3.6Å; E581-K593 PolarHBondContact OE1-NZ 2.97Å; E581-K593 WeakPolarHBondContact OE2-CD 3.32Å; E581-K593 IonicContact OE2-NZ 3.85Å; E581-K593 PolarHBondContact OE2-NZ 3.33Å |
| 582 | F | 52.2 | Low | 56.6 | Low | 126 Ų | 126 | 100.4 Ų | 100.4 | 55% | 0.553 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 165.2 | 165.6 | 96.7 | -67.8 | 0 | 0 | 0 | 112.7 | N584 A591 | F582-N584 HydrophobicContact CE2-CB 4.06Å; F582-N584 HydrophobicContact CZ-CB 3.81Å; F582-A591 HydrophobicContact CD1-CB 4.04Å; F582-A591 HydrophobicContact CE1-CB 4.33Å; F582-A591 PolarHBondContact O-N 3.38Å |
| 583 | F | 49.4 | Very low | 55.1 | Low | 82 Ų | 82 | 104.6 Ų | 104.6 | 36% | 0.36 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.4 | 172 | 172.7 | -110.5 | 0 | 0 | 0 | 110.1 | K585 F590 | F583-K585 HydrophobicContact CD1-CG 3.98Å; F583-K585 HydrophobicContact CE1-CB 4.48Å; F583-K585 HydrophobicContact CE1-CG 3.81Å; F583-K585 PolarHBondContact O-N 2.93Å; F583-F590 HydrophobicContact CB-CD1 4.42Å; F583-F590 HydrophobicContact CB-CE1 4.39Å; F583-F590 AromaticContact CD2-CD1 3.81Å; F583-F590 HydrophobicContact CD2-CD1 3.81Å; F583-F590 AromaticContact CD2-CE1 3.52Å; F583-F590 HydrophobicContact CD2-CE1 3.52Å; F583-F590 HydrophobicContact CD2-CG 4.46Å; F583-F590 AromaticContact CD2-CZ 3.93Å; F583-F590 HydrophobicContact CD2-CZ 3.93Å; F583-F590 HydrophobicContact CE2-CE1 4.19Å; F583-F590 HydrophobicContact CE2-CZ 4.13Å; F583-F590 HydrophobicContact CG-CE1 4.29Å |
| 584 | N | 63.8 | Low | 54 | Low | 36 Ų | 36 | 108.5 Ų | 108.5 | 19% | 0.193 | 52% | 0.515 | C | S | . | . | trans | -79.1 | 106.7 | 174.2 | -174.4 | 0.1 | 0 | 0 | 0 | 109.8 | F582 E586 E587 Q588 C589 | F582-N584 HydrophobicContact CE2-CB 4.06Å; F582-N584 HydrophobicContact CZ-CB 3.81Å; N584-E586 PolarHBondContact O-N 2.75Å; N584-E586 PolarHBondContact OD1-N 3.48Å; N584-E586 VanDerWaalsContact OD1-N 3.12Å; N584-E587 PolarHBondContact ND2-OE2 3.44Å; N584-Q588 PolarHBondContact O-N 2.96Å; N584-C589 PolarHBondContact N-O 3.13Å | ||
| 585 | K | 67.2 | Low | 53.1 | Low | 171 Ų | 171 | 106.7 Ų | 106.7 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31 | 179.7 | -86.8 | -176 | 173.2 | 179.6 | 0 | 113.9 | F583 Q588 | F583-K585 HydrophobicContact CD1-CG 3.98Å; F583-K585 HydrophobicContact CE1-CB 4.48Å; F583-K585 HydrophobicContact CE1-CG 3.81Å; F583-K585 PolarHBondContact O-N 2.93Å; K585-Q588 PolarHBondContact O-NE2 2.9Å |
| 586 | E | 66.1 | Low | 52.5 | Low | 186 Ų | 186 | 106.4 Ų | 106.4 | 87% | 0.869 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -32.7 | -172 | -60.6 | -172.7 | 159.1 | 0 | 0 | 112.1 | N584 | N584-E586 PolarHBondContact O-N 2.75Å; N584-E586 PolarHBondContact OD1-N 3.48Å; N584-E586 VanDerWaalsContact OD1-N 3.12Å |
| 587 | E | 61.6 | Low | 52.3 | Low | 142 Ų | 142 | 106.9 Ų | 106.9 | 66% | 0.664 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -2.8 | 179.5 | -68 | -172.4 | 160.8 | 0 | 0 | 114.5 | N584 C589 | N584-E587 PolarHBondContact ND2-OE2 3.44Å; E587-C589 HydrophobicContact CB-CB 4.27Å; E587-C589 PolarHBondContact O-N 3.3Å; E587-C589 VanDerWaalsContact O-N 3.07Å; E587-C589 PolarHBondContact OE2-SG 2.88Å |
| 588 | Q | 52.4 | Low | 52.9 | Low | 142 Ų | 142 | 105.2 Ų | 105.2 | 66% | 0.664 | 52% | 0.518 | S | S | * | . | trans | 58.4 | 12.4 | -172.2 | -59.8 | -77.1 | -77.1 | 0 | 0 | 114.4 | N584 K585 | N584-Q588 PolarHBondContact O-N 2.96Å; K585-Q588 PolarHBondContact O-NE2 2.9Å | ||
| 589 | C | 46 | Very low | 53.8 | Low | 51 Ų | 51 | 102.5 Ų | 102.5 | 35% | 0.345 | 51% | 0.505 | S | S | . | . | trans | -95.1 | 148.3 | -173.6 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | N584 E587 | N584-C589 PolarHBondContact N-O 3.13Å; E587-C589 HydrophobicContact CB-CB 4.27Å; E587-C589 PolarHBondContact O-N 3.3Å; E587-C589 VanDerWaalsContact O-N 3.07Å; E587-C589 PolarHBondContact OE2-SG 2.88Å | ||
| 590 | F | 52.7 | Low | 55.4 | Low | 127 Ų | 127 | 102.4 Ų | 102.4 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.3 | 174.4 | -65.3 | -80.1 | 0 | 0 | 0 | 109.9 | V580 F583 I592 | V580-F590 HydrophobicContact CG1-CB 4.49Å; V580-F590 HydrophobicContact CG1-CD1 3.84Å; F583-F590 HydrophobicContact CB-CD1 4.42Å; F583-F590 HydrophobicContact CB-CE1 4.39Å; F583-F590 AromaticContact CD2-CD1 3.81Å; F583-F590 HydrophobicContact CD2-CD1 3.81Å; F583-F590 AromaticContact CD2-CE1 3.52Å; F583-F590 HydrophobicContact CD2-CE1 3.52Å; F583-F590 HydrophobicContact CD2-CG 4.46Å; F583-F590 AromaticContact CD2-CZ 3.93Å; F583-F590 HydrophobicContact CD2-CZ 3.93Å; F583-F590 HydrophobicContact CE2-CE1 4.19Å; F583-F590 HydrophobicContact CE2-CZ 4.13Å; F583-F590 HydrophobicContact CG-CE1 4.29Å; F590-I592 VanDerWaalsContact C-N 3.28Å; F590-I592 HydrophobicContact CB-CD1 4.5Å; F590-I592 HydrophobicContact CB-CG1 4.05Å; F590-I592 PolarHBondContact O-N 3.17Å |
| 591 | A | 48.2 | Very low | 57.2 | Low | 39 Ų | 39 | 99.8 Ų | 99.8 | 32% | 0.322 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 84.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.1 | E581 F582 | E581-A591 PolarHBondContact N-O 3.49Å; F582-A591 HydrophobicContact CD1-CB 4.04Å; F582-A591 HydrophobicContact CE1-CB 4.33Å; F582-A591 PolarHBondContact O-N 3.38Å |
| 592 | I | 52.4 | Low | 59.2 | Low | 88 Ų | 88 | 99 Ų | 99 | 45% | 0.451 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 123.3 | 173.8 | -63.2 | 174.3 | 0 | 0 | 0 | 108.6 | V578 F590 | V578-I592 HydrophobicContact CG1-CG2 3.73Å; F590-I592 VanDerWaalsContact C-N 3.28Å; F590-I592 HydrophobicContact CB-CD1 4.5Å; F590-I592 HydrophobicContact CB-CG1 4.05Å; F590-I592 PolarHBondContact O-N 3.17Å |
| 593 | K | 45.5 | Very low | 61.2 | Low | 102 Ų | 102 | 93.1 Ų | 93.1 | 44% | 0.443 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 111.9 | 175.3 | -165.8 | 171.7 | -176.2 | 174.5 | 0 | 108.8 | L579 E581 T595 | L579-K593 PolarHBondContact O-N 3.45Å; E581-K593 HydrophobicContact CG-CB 4.27Å; E581-K593 HydrophobicContact CG-CD 4.1Å; E581-K593 VanDerWaalsContact OE1-CD 3.23Å; E581-K593 WeakPolarHBondContact OE1-CD 3.48Å; E581-K593 IonicContact OE1-NZ 3.6Å; E581-K593 PolarHBondContact OE1-NZ 2.97Å; E581-K593 WeakPolarHBondContact OE2-CD 3.32Å; E581-K593 IonicContact OE2-NZ 3.85Å; E581-K593 PolarHBondContact OE2-NZ 3.33Å; K593-T595 VanDerWaalsContact C-N 3.31Å; K593-T595 PolarHBondContact O-N 3.01Å |
| 594 | H | 47.7 | Very low | 63.5 | Low | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.579 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 89.5 | 174.1 | -68.2 | -89.4 | 0 | 0 | 0 | 109.1 | Q596 | H594-Q596 VanDerWaalsContact C-N 3.28Å; H594-Q596 PolarHBondContact O-N 3.17Å |
| 595 | T | 47.3 | Very low | 65.1 | Low | 59 Ų | 59 | 89.2 Ų | 89.2 | 36% | 0.362 | 44% | 0.437 | S | S | . | . | trans | -71.5 | 88.3 | 165 | 48.6 | 0 | 0 | 0 | 0 | 108.5 | K593 D597 | K593-T595 VanDerWaalsContact C-N 3.31Å; K593-T595 PolarHBondContact O-N 3.01Å; T595-D597 PolarHBondContact O-N 3.37Å | ||
| 596 | Q | 49.9 | Very low | 66.4 | Low | 116 Ų | 116 | 81.6 Ų | 81.6 | 54% | 0.542 | 40% | 0.404 | S | S | . | . | trans | -69 | 79.5 | 163.2 | -75 | -178.8 | -100 | 0 | 0 | 109.3 | H594 E598 | H594-Q596 VanDerWaalsContact C-N 3.28Å; H594-Q596 PolarHBondContact O-N 3.17Å; Q596-E598 HydrophobicContact CB-CG 4.13Å; Q596-E598 PolarHBondContact NE2-OE1 3.31Å; Q596-E598 VanDerWaalsContact NE2-OE1 3.08Å; Q596-E598 PolarHBondContact O-N 3.14Å; Q596-E598 VanDerWaalsContact O-N 3.07Å | ||
| 597 | D | 50.6 | Low | 67.7 | Low | 138 Ų | 138 | 76.9 Ų | 76.9 | 74% | 0.738 | 38% | 0.382 | S | S | * | . | trans | -66.6 | 95.1 | 145.3 | -75.7 | -28.7 | 0 | 0 | 0 | 105.6 | T595 A599 | T595-D597 PolarHBondContact O-N 3.37Å; D597-A599 PolarHBondContact O-N 2.75Å | ||
| 598 | E | 59.4 | Low | 69.1 | Low | 116 Ų | 116 | 74.6 Ų | 74.6 | 54% | 0.542 | 37% | 0.37 | S | S | . | . | trans | -68.3 | 73.7 | 175.5 | -67.7 | -170 | 168.9 | 0 | 0 | 109.7 | Q596 M600 | Q596-E598 HydrophobicContact CB-CG 4.13Å; Q596-E598 PolarHBondContact NE2-OE1 3.31Å; Q596-E598 VanDerWaalsContact NE2-OE1 3.08Å; Q596-E598 PolarHBondContact O-N 3.14Å; Q596-E598 VanDerWaalsContact O-N 3.07Å; E598-M600 PolarHBondContact O-N 3.11Å | ||
| 599 | A | 69.6 | Low | 70.9 | Confident | 29 Ų | 29 | 68.4 Ų | 68.4 | 24% | 0.24 | 34% | 0.34 | C | S | . | . | trans | -70.8 | 92.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | D572 K575 D597 | D572-A599 HydrophobicContact CB-CB 4.07Å; D572-A599 WeakPolarHBondContact CB-O 3.35Å; D572-A599 PolarHBondContact N-O 2.72Å; K575-A599 HydrophobicContact CB-CB 4.32Å; K575-A599 HydrophobicContact CD-CB 3.38Å; K575-A599 HydrophobicContact CG-CB 4.49Å; D597-A599 PolarHBondContact O-N 2.75Å | ||
| 600 | M | 82.7 | Confident | 73.1 | Confident | 86 Ų | 86 | 70.3 Ų | 70.3 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.1 | 177.2 | -63.7 | -59.7 | -81.5 | 0 | 0 | 110.6 | P569 V570 H571 E598 | P569-M600 HydrophobicContact CB-CB 4.2Å; P569-M600 HydrophobicContact CB-CE 4.01Å; P569-M600 HydrophobicContact CG-CE 3.88Å; P569-M600 WeakPolarHBondContact O-CE 3.41Å; V570-M600 CarbonylContact O-C 3.45Å; V570-M600 WeakPolarHBondContact O-CA 3.49Å; H571-M600 VanDerWaalsContact CE1-SD 3.56Å; H571-M600 PolarHBondContact ND1-SD 2.92Å; E598-M600 PolarHBondContact O-N 3.11Å |
| 601 | I | 86.1 | Confident | 74.8 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 7% | 0.072 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 132.8 | 169.8 | -50.6 | -177 | 0 | 0 | 0 | 108.2 | L535 E552 P569 V570 D572 | L535-I601 HydrophobicContact CD1-CD1 4.05Å; L535-I601 HydrophobicContact CD2-CD1 3.39Å; L535-I601 HydrophobicContact CG-CD1 4.39Å; E552-I601 HydrophobicContact CB-CG2 4.35Å; P569-I601 VanDerWaalsContact CA-O 3.23Å; P569-I601 WeakPolarHBondContact CA-O 3.46Å; P569-I601 WeakPolarHBondContact CB-O 3.34Å; V570-I601 PolarHBondContact N-O 3.49Å; V570-I601 PolarHBondContact O-N 2.68Å; D572-I601 HydrophobicContact CB-CD1 3.8Å; D572-I601 HydrophobicContact CB-CG1 3.57Å |
| 602 | K | 92.2 | Very high | 76.5 | Confident | 103 Ų | 103 | 72.9 Ų | 72.9 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 145.1 | 171.7 | -66.2 | -168.6 | 174.8 | -161.5 | 0 | 111.5 | E552 Y604 | E552-K602 HydrophobicContact CB-CB 4.14Å; E552-K602 WeakPolarHBondContact CB-O 3.48Å; E552-K602 HydrophobicContact CG-CB 4.45Å; E552-K602 PolarHBondContact N-O 3.07Å; K602-Y604 HydrophobicContact CB-CE2 3.91Å; K602-Y604 WeakPolarHBondContact CD-OH 3.5Å |
| 603 | T | 95.5 | Very high | 78.1 | Confident | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 160.3 | -179.5 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | M539 H549 I550 G567 K568 V570 | M539-T603 HydrophobicContact CE-CG2 3.72Å; M539-T603 HydrophobicContact SD-CG2 3.49Å; M539-T603 WeakPolarHBondContact SD-CG2 3.21Å; H549-T603 WeakPolarHBondContact NE2-CB 3.41Å; H549-T603 PolarHBondContact NE2-OG1 3.17Å; I550-T603 WeakPolarHBondContact O-CA 3.4Å; G567-T603 VanDerWaalsContact C-OG1 3.24Å; G567-T603 PolarHBondContact N-O 3.49Å; K568-T603 PolarHBondContact N-OG1 3.47Å; K568-T603 PolarHBondContact O-OG1 3.37Å; V570-T603 HydrophobicContact CB-CG2 4.29Å; V570-T603 HydrophobicContact CG2-CG2 3.87Å |
| 604 | Y | 97.2 | Very high | 80 | Confident | 26 Ų | 26 | 73.7 Ų | 73.7 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 152 | -171.7 | -55.4 | -89.2 | 0 | 0 | 0 | 110.4 | H549 I550 E552 L555 V564 S565 E566 K602 | H549-Y604 CarbonylContact C-O 3.1Å; H549-Y604 PolarHBondContact CD2-O 2.69Å; I550-Y604 PolarHBondContact N-O 3.31Å; I550-Y604 PolarHBondContact O-N 3.06Å; E552-Y604 HydrophobicContact CB-CE2 4.13Å; L555-Y604 HydrophobicContact CB-CD2 4.19Å; L555-Y604 HydrophobicContact CB-CE2 4.43Å; L555-Y604 HydrophobicContact CD2-CD1 4.03Å; L555-Y604 HydrophobicContact CD2-CD2 3.59Å; L555-Y604 HydrophobicContact CD2-CE1 3.9Å; L555-Y604 HydrophobicContact CD2-CE2 3.45Å; L555-Y604 VanDerWaalsContact CD2-CE2 3.45Å; L555-Y604 HydrophobicContact CD2-CG 3.88Å; L555-Y604 HydrophobicContact CG-CD2 4.46Å; V564-Y604 HydrophobicContact CG2-CD1 4.07Å; V564-Y604 HydrophobicContact CG2-CG 4.4Å; S565-Y604 CarbonylContact O-C 3.59Å; S565-Y604 WeakPolarHBondContact O-CA 3.49Å; S565-Y604 WeakPolarHBondContact O-CB 3.34Å; E566-Y604 HydrophobicContact CG-CD1 4.29Å; E566-Y604 HydrophobicContact CG-CE1 4.05Å; K602-Y604 HydrophobicContact CB-CE2 3.91Å; K602-Y604 WeakPolarHBondContact CD-OH 3.5Å |
| 605 | F | 96.7 | Very high | 81.8 | Confident | 10 Ų | 10 | 69.2 Ų | 69.2 | 4% | 0.044 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 139.3 | 167.7 | -60.3 | -77.8 | 0 | 0 | 0 | 110.6 | E544 K547 V548 H549 V564 S565 E607 | E544-F605 HydrophobicContact CB-CE1 4.01Å; E544-F605 HydrophobicContact CB-CZ 4.15Å; E544-F605 HydrophobicContact CG-CE1 4.07Å; E544-F605 HydrophobicContact CG-CE2 4.3Å; E544-F605 HydrophobicContact CG-CZ 3.68Å; K547-F605 HydrophobicContact CB-CD1 3.92Å; K547-F605 HydrophobicContact CD-CB 3.97Å; K547-F605 HydrophobicContact CD-CD1 4.23Å; K547-F605 HydrophobicContact CD-CG 4.07Å; V548-F605 WeakPolarHBondContact O-CA 3.41Å; H549-F605 HydrophobicContact CB-CD1 3.79Å; H549-F605 HydrophobicContact CB-CE1 3.59Å; H549-F605 AromaticContact CD2-CD1 3.64Å; H549-F605 AromaticContact CD2-CE1 3.26Å; H549-F605 WeakPolarHBondContact CD2-CE1 3.41Å; H549-F605 AromaticContact CD2-CZ 3.58Å; H549-F605 AromaticContact CG-CD1 3.94Å; H549-F605 AromaticContact CG-CE1 3.43Å; H549-F605 VanDerWaalsContact CG-CE1 3.43Å; H549-F605 AromaticContact NE2-CZ 3.86Å; V564-F605 CarbonylContact C-O 3.57Å; V564-F605 WeakPolarHBondContact CA-O 3.28Å; V564-F605 WeakPolarHBondContact CB-O 3.47Å; S565-F605 PolarHBondContact N-O 2.93Å; S565-F605 PolarHBondContact O-N 2.97Å; F605-E607 PolarHBondContact O-N 3.41Å |
| 606 | I | 95.7 | Very high | 83.6 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.062 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 119.2 | 170 | -57.1 | -72.4 | 0 | 0 | 0 | 108.6 | V482 V548 I550 Y562 V564 | V482-I606 HydrophobicContact CG1-CD1 3.79Å; V482-I606 HydrophobicContact CG1-CG1 3.85Å; V482-I606 HydrophobicContact CG1-CG2 4.48Å; V482-I606 HydrophobicContact CG2-CD1 4.49Å; V548-I606 HydrophobicContact CB-CB 4.25Å; V548-I606 HydrophobicContact CB-CG1 4.08Å; V548-I606 HydrophobicContact CG1-CG1 4.28Å; V548-I606 PolarHBondContact O-N 2.77Å; I550-I606 HydrophobicContact CD1-CD1 3.86Å; I550-I606 HydrophobicContact CG1-CD1 4.4Å; I550-I606 HydrophobicContact CG2-CD1 4.08Å; I550-I606 HydrophobicContact CG2-CG1 3.84Å; Y562-I606 HydrophobicContact CD1-CD1 4.39Å; Y562-I606 HydrophobicContact CD1-CG2 3.75Å; Y562-I606 HydrophobicContact CD2-CD1 4.27Å; Y562-I606 HydrophobicContact CE1-CG2 4.41Å; Y562-I606 HydrophobicContact CG-CD1 3.93Å; Y562-I606 HydrophobicContact CG-CG2 4.25Å; V564-I606 HydrophobicContact CG1-CD1 4Å |
| 607 | E | 93.1 | Very high | 85.2 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 41% | 0.407 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -50.1 | 174.7 | -59.1 | -60.9 | 152.5 | 0 | 0 | 111 | K547 E563 S565 F605 | K547-E607 VanDerWaalsContact NZ-CD 3.29Å; K547-E607 IonicContact NZ-OE1 3.31Å; K547-E607 PolarHBondContact NZ-OE1 2.89Å; K547-E607 IonicContact NZ-OE2 2.65Å; K547-E607 PolarHBondContact NZ-OE2 3.32Å; E563-E607 PolarHBondContact O-N 3.11Å; S565-E607 WeakPolarHBondContact CB-OE1 3.39Å; S565-E607 PolarHBondContact OG-OE1 2.91Å; F605-E607 PolarHBondContact O-N 3.41Å |
| 608 | K | 89.4 | Confident | 86.6 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 40% | 0.404 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 172.4 | 175.9 | 63 | 165.5 | 179.5 | 165.1 | 0 | 112.8 | Y562 E563 | Y562-K608 CarbonylContact C-O 3.56Å; Y562-K608 WeakPolarHBondContact CA-O 3.47Å; Y562-K608 WeakPolarHBondContact CB-O 3.46Å; E563-K608 HydrophobicContact CB-CG 3.9Å; E563-K608 PolarHBondContact N-O 2.89Å; E563-K608 PolarHBondContact O-N 3.26Å; E563-K608 WeakPolarHBondContact OE2-CE 3.36Å; E563-K608 IonicContact OE2-NZ 2.56Å; E563-K608 PolarHBondContact OE2-NZ 2.99Å |
| 609 | R | 91.9 | Very high | 87.3 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 139.7 | 175.4 | -162 | 176.5 | 155.9 | 118.3 | 15.6 | 109.7 | E479 E483 I561 Y562 D611 D612 | E479-R609 IonicContact OE1-CZ 2.83Å; E479-R609 IonicContact OE1-NH1 2.74Å; E479-R609 PolarHBondContact OE1-NH1 3.36Å; E479-R609 IonicContact OE1-NH2 2.77Å; E479-R609 PolarHBondContact OE1-NH2 2.76Å; E483-R609 VanDerWaalsContact OE1-CD 3.31Å; E483-R609 WeakPolarHBondContact OE1-CD 3.35Å; E483-R609 IonicContact OE1-CZ 2.95Å; E483-R609 IonicContact OE1-NE 3.06Å; E483-R609 IonicContact OE1-NH1 3.27Å; E483-R609 PolarHBondContact OE1-NH1 3.44Å; I561-R609 HydrophobicContact CG2-CG 4.17Å; I561-R609 WeakPolarHBondContact O-CG 3.45Å; Y562-R609 HydrophobicContact CD1-CB 3.85Å; Y562-R609 HydrophobicContact CD1-CG 3.91Å; Y562-R609 HydrophobicContact CE1-CB 3.83Å; Y562-R609 HydrophobicContact CE1-CG 3.64Å; R609-D611 VanDerWaalsContact C-N 3.32Å; R609-D611 WeakPolarHBondContact CD-OD1 3.24Å; R609-D611 WeakPolarHBondContact CG-OD1 3.37Å; R609-D611 IonicContact CZ-OD1 3.55Å; R609-D611 IonicContact CZ-OD2 2.63Å; R609-D611 VanDerWaalsContact CZ-OD2 3.28Å; R609-D611 IonicContact NE-OD1 3.83Å; R609-D611 PolarHBondContact NE-OD1 3.16Å; R609-D611 IonicContact NE-OD2 3.57Å; R609-D611 PolarHBondContact NE-OD2 3.17Å; R609-D611 IonicContact NH2-OD2 2.68Å; R609-D611 PolarHBondContact NH2-OD2 3.34Å; R609-D611 PolarHBondContact O-N 3.39Å; R609-D612 PolarHBondContact O-N 3.38Å |
| 610 | L | 91.3 | Very high | 86.8 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.6 | -171.5 | -66.2 | 172.3 | 0 | 0 | 0 | 114.2 | I561 E563 | I561-L610 PolarHBondContact O-N 2.74Å; E563-L610 HydrophobicContact CB-CD2 3.98Å |
| 611 | D | 89.1 | Confident | 85.3 | Confident | 87 Ų | 87 | 64.8 Ų | 64.8 | 47% | 0.465 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 6 | 177.2 | 64.6 | 10.8 | 0 | 0 | 0 | 113.2 | R609 K613 | R609-D611 VanDerWaalsContact C-N 3.32Å; R609-D611 WeakPolarHBondContact CD-OD1 3.24Å; R609-D611 WeakPolarHBondContact CG-OD1 3.37Å; R609-D611 IonicContact CZ-OD1 3.55Å; R609-D611 IonicContact CZ-OD2 2.63Å; R609-D611 VanDerWaalsContact CZ-OD2 3.28Å; R609-D611 IonicContact NE-OD1 3.83Å; R609-D611 PolarHBondContact NE-OD1 3.16Å; R609-D611 IonicContact NE-OD2 3.57Å; R609-D611 PolarHBondContact NE-OD2 3.17Å; R609-D611 IonicContact NH2-OD2 2.68Å; R609-D611 PolarHBondContact NH2-OD2 3.34Å; R609-D611 PolarHBondContact O-N 3.39Å; D611-K613 PolarHBondContact O-N 3.04Å; D611-K613 WeakPolarHBondContact OD1-CB 3.48Å; D611-K613 PolarHBondContact OD1-N 2.87Å |
| 612 | D | 83.8 | Confident | 83.2 | Confident | 132 Ų | 132 | 73.1 Ų | 73.1 | 71% | 0.706 | 39% | 0.39 | S | S | * | . | trans | 49.7 | 21.6 | -174.3 | -69.7 | -43.2 | 0 | 0 | 0 | 115.2 | R609 | R609-D612 PolarHBondContact O-N 3.38Š| ||
| 613 | K | 85.8 | Confident | 80.7 | Confident | 99 Ų | 99 | 72.2 Ų | 72.2 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 131.7 | 177.2 | -177.1 | -167.9 | 178 | -168.8 | 0 | 110.7 | E479 D611 | E479-K613 IonicContact OE1-NZ 3.05Å; D611-K613 PolarHBondContact O-N 3.04Å; D611-K613 WeakPolarHBondContact OD1-CB 3.48Å; D611-K613 PolarHBondContact OD1-N 2.87Å |
| 614 | P | 84.9 | Confident | 77.8 | Confident | 108 Ų | 108 | 81.4 Ų | 81.4 | 70% | 0.701 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 145 | -179.4 | 27.1 | -35 | 0 | 0 | 0 | 111.6 | ||
| 615 | V | 86.6 | Confident | 74.8 | Confident | 31 Ų | 31 | 85.2 Ų | 85.2 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 144.3 | 174.6 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | R486 A487 L490 S617 | R486-V615 HydrophobicContact CB-CG1 3.93Å; R486-V615 HydrophobicContact CB-CG2 4.34Å; A487-V615 HydrophobicContact CB-CG1 4.06Å; L490-V615 HydrophobicContact CD1-CB 3.58Å; L490-V615 HydrophobicContact CD1-CG1 3.69Å; L490-V615 HydrophobicContact CD1-CG2 3.93Å; L490-V615 HydrophobicContact CG-CG1 4.4Å; V615-S617 PolarHBondContact O-N 3.4Å; V615-S617 VanDerWaalsContact O-N 3.09Å |
| 616 | V | 84.4 | Confident | 71.6 | Confident | 54 Ų | 54 | 87.1 Ų | 87.1 | 33% | 0.327 | 48% | 0.48 | S | S | . | . | trans | -63.9 | 110.1 | 171 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | L448 L451 V452 A487 | L448-V616 HydrophobicContact CD2-CG1 4.14Å; L451-V616 HydrophobicContact CB-CG1 4.26Å; L451-V616 HydrophobicContact CD1-CG1 4.39Å; V452-V616 HydrophobicContact CG2-CB 4.31Å; V452-V616 HydrophobicContact CG2-CG1 4.31Å; V452-V616 HydrophobicContact CG2-CG2 4.3Å; A487-V616 VanDerWaalsContact CB-O 3.23Å; A487-V616 WeakPolarHBondContact CB-O 3.31Å | ||
| 617 | S | 83.1 | Confident | 68.3 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | trans | -111.1 | 150.2 | 177.8 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | V615 | V615-S617 PolarHBondContact O-N 3.4Å; V615-S617 VanDerWaalsContact O-N 3.09Å | ||
| 618 | L | 80.9 | Confident | 65.2 | Low | 20 Ų | 20 | 94 Ų | 94 | 11% | 0.105 | 53% | 0.531 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 145.3 | 172.6 | -65.2 | 173.4 | 0 | 0 | 0 | 109.9 | R444 R447 L448 L451 | R444-L618 HydrophobicContact CB-CD1 3.56Å; R444-L618 HydrophobicContact CG-CD1 3.86Å; R447-L618 HydrophobicContact CB-CD2 3.94Å; L448-L618 HydrophobicContact CD2-CD2 4.01Å; L448-L618 HydrophobicContact CD2-CG 4Å; L448-L618 HydrophobicContact CG-CD1 4.37Å; L448-L618 HydrophobicContact CG-CD2 4.31Å; L448-L618 HydrophobicContact CG-CG 4.23Å; L451-L618 HydrophobicContact CD1-CD2 3.91Å |
| 619 | P | 72.5 | Confident | 62.2 | Low | 107 Ų | 107 | 96.8 Ų | 96.8 | 70% | 0.695 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 145.1 | 167.3 | 28.7 | -33.9 | 0 | 0 | 0 | 110 | M621 | P619-M621 PolarHBondContact O-N 3.13Š|
| 620 | P | 60.7 | Low | 59.1 | Low | 125 Ų | 125 | 104 Ų | 104 | 81% | 0.812 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 133.2 | -179 | 24.4 | -34.2 | 0 | 0 | 0 | 110.6 | Q622 | P620-Q622 PolarHBondContact O-N 3.21Š|
| 621 | M | 51.2 | Low | 56 | Low | 74 Ų | 74 | 106.5 Ų | 106.5 | 37% | 0.365 | 59% | 0.593 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 120 | -166.8 | -159.4 | 174.7 | -31.8 | 0 | 0 | 111.5 | D440 R444 R447 P619 L623 | D440-M621 WeakPolarHBondContact OD1-CE 3.46Å; R444-M621 HydrophobicContact CG-CE 4.2Å; R447-M621 VanDerWaalsContact NH2-CE 3.31Å; P619-M621 PolarHBondContact O-N 3.13Å; M621-L623 VanDerWaalsContact C-N 3.35Å; M621-L623 HydrophobicContact CB-CD1 4.43Å; M621-L623 PolarHBondContact O-N 3.41Å |
| 622 | Q | 41.8 | Very low | 52.8 | Low | 188 Ų | 188 | 107 Ų | 107 | 88% | 0.879 | 60% | 0.604 | S | S | * | * | trans | -71.4 | 93.8 | 165.9 | -68.6 | -177.9 | -11 | 0 | 0 | 108.5 | P620 E624 | P620-Q622 PolarHBondContact O-N 3.21Å; Q622-E624 PolarHBondContact O-N 3.24Å | ||
| 623 | L | 40.3 | Very low | 50.2 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 44% | 0.44 | 60% | 0.601 | S | S | . | * | trans | -62.1 | 107.9 | 172.6 | -101.3 | 81.6 | 0 | 0 | 0 | 109.6 | M621 V625 | M621-L623 VanDerWaalsContact C-N 3.35Å; M621-L623 HydrophobicContact CB-CD1 4.43Å; M621-L623 PolarHBondContact O-N 3.41Å; L623-V625 HydrophobicContact CB-CG2 4Å; L623-V625 HydrophobicContact CD2-CG2 4.07Å; L623-V625 PolarHBondContact O-N 3.13Å | ||
| 624 | E | 33.2 | Very low | 47.3 | Very low | 197 Ų | 197 | 108 Ų | 108 | 92% | 0.921 | 62% | 0.617 | S | S | * | * | trans | -69.2 | 82.1 | 157.1 | -75 | -162.1 | 147.1 | 0 | 0 | 108.9 | Q622 G626 | Q622-E624 PolarHBondContact O-N 3.24Å; E624-G626 PolarHBondContact O-N 3.24Å | ||
| 625 | V | 34.4 | Very low | 44.5 | Very low | 106 Ų | 106 | 109.9 Ų | 109.9 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | trans | -70.1 | 76.9 | 164.5 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | L623 | L623-V625 HydrophobicContact CB-CG2 4Å; L623-V625 HydrophobicContact CD2-CG2 4.07Å; L623-V625 PolarHBondContact O-N 3.13Å | ||
| 626 | G | 29.2 | Very low | 41.6 | Very low | 49 Ų | 49 | 113.9 Ų | 113.9 | 51% | 0.505 | 65% | 0.646 | S | S | . | * | trans | -51.7 | 135.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | E624 V628 | E624-G626 PolarHBondContact O-N 3.24Å; G626-V628 PolarHBondContact O-N 2.67Å | ||
| 627 | P | 26.5 | Very low | 38.8 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | trans | -60.1 | 115.7 | -164.1 | 22.4 | -33.9 | 0 | 0 | 0 | 110.7 | Q629 | P627-Q629 VanDerWaalsContact C-N 3.27Å; P627-Q629 PolarHBondContact O-N 3.07Å | ||
| 628 | V | 28 | Very low | 36.1 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 75% | 0.745 | 68% | 0.677 | S | S | * | * | trans | -65.6 | 92.7 | 171.6 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | G626 L630 | G626-V628 PolarHBondContact O-N 2.67Å; V628-L630 PolarHBondContact O-N 2.81Å; V628-L630 VanDerWaalsContact O-N 3.09Å | ||
| 629 | Q | 25.9 | Very low | 33.4 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | -57.9 | 117.4 | 162.2 | -77 | -167.9 | -14.2 | 0 | 0 | 106.9 | P627 Q631 | P627-Q629 VanDerWaalsContact C-N 3.27Å; P627-Q629 PolarHBondContact O-N 3.07Å; Q629-Q631 HydrophobicContact CB-CG 4.44Å; Q629-Q631 PolarHBondContact O-N 3.44Å | ||
| 630 | L | 26.8 | Very low | 31.3 | Very low | 164 Ų | 164 | 128 Ų | 128 | 86% | 0.859 | 72% | 0.715 | S | S | * | * | trans | -69.9 | 71.8 | 177.2 | -163.7 | 89.2 | 0 | 0 | 0 | 109.4 | V628 S632 | V628-L630 PolarHBondContact O-N 2.81Å; V628-L630 VanDerWaalsContact O-N 3.09Å; L630-S632 PolarHBondContact O-N 2.89Å | ||
| 631 | Q | 26.1 | Very low | 29.5 | Very low | 144 Ų | 144 | 128.6 Ų | 128.6 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | trans | -68.4 | 98.2 | 173.8 | -70.2 | -166.4 | 3.6 | 0 | 0 | 108.1 | Q629 T633 | Q629-Q631 HydrophobicContact CB-CG 4.44Å; Q629-Q631 PolarHBondContact O-N 3.44Å; Q631-T633 VanDerWaalsContact C-N 3.27Å; Q631-T633 HydrophobicContact CB-CG2 4.48Å; Q631-T633 PolarHBondContact O-N 2.9Å | ||
| 632 | S | 23.8 | Very low | 28.5 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -64.5 | 86.1 | 170.6 | 55.6 | 0 | 0 | 0 | 0 | 109.4 | L630 N634 | L630-S632 PolarHBondContact O-N 2.89Å; S632-N634 PolarHBondContact O-N 3.39Å | ||
| 633 | T | 28.3 | Very low | 27.9 | Very low | 106 Ų | 106 | 128 Ų | 128 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | trans | -76 | 57.6 | 179.1 | 54.7 | 0 | 0 | 0 | 0 | 111.7 | Q631 N635 | Q631-T633 VanDerWaalsContact C-N 3.27Å; Q631-T633 HydrophobicContact CB-CG2 4.48Å; Q631-T633 PolarHBondContact O-N 2.9Å; T633-N635 PolarHBondContact O-N 3.49Å | ||
| 634 | N | 24.3 | Very low | 27.2 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -71.3 | 69 | 163.9 | -77.6 | 6.2 | 0 | 0 | 0 | 109.2 | S632 V636 | S632-N634 PolarHBondContact O-N 3.39Å; N634-V636 VanDerWaalsContact C-N 3.27Å | ||
| 635 | N | 25.8 | Very low | 27.1 | Very low | 149 Ų | 149 | 127.2 Ų | 127.2 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | -96.8 | 43.8 | 168.8 | -79.6 | -32.3 | 0 | 0 | 0 | 110.5 | T633 C637 | T633-N635 PolarHBondContact O-N 3.49Å; N635-C637 PolarHBondContact O-N 3.49Å | ||
| 636 | V | 26.7 | Very low | 26.9 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | -68.7 | 115.7 | 161.7 | 175.2 | 0 | 0 | 0 | 0 | 106.7 | N634 D638 | N634-V636 VanDerWaalsContact C-N 3.27Å; V636-D638 HydrophobicContact CG1-CB 4.11Å; V636-D638 VanDerWaalsContact CG1-OD2 3.27Å; V636-D638 WeakPolarHBondContact CG1-OD2 3.42Å | ||
| 637 | C | 25.4 | Very low | 26.9 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -107.6 | 28.6 | -175.7 | -157.5 | 0 | 0 | 0 | 0 | 111.9 | N635 T639 | N635-C637 PolarHBondContact O-N 3.49Å; C637-T639 PolarHBondContact O-N 2.96Å; C637-T639 PolarHBondContact O-OG1 3.22Å | ||
| 638 | D | 27.1 | Very low | 27.3 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | -69.3 | 112.7 | 177.1 | -68.6 | -40.2 | 0 | 0 | 0 | 109.9 | V636 E640 | V636-D638 HydrophobicContact CG1-CB 4.11Å; V636-D638 VanDerWaalsContact CG1-OD2 3.27Å; V636-D638 WeakPolarHBondContact CG1-OD2 3.42Å; D638-E640 PolarHBondContact O-N 2.67Å | ||
| 639 | T | 24.1 | Very low | 27.3 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -100.6 | 61.1 | -172.6 | -49 | 0 | 0 | 0 | 0 | 110.1 | C637 | C637-T639 PolarHBondContact O-N 2.96Å; C637-T639 PolarHBondContact O-OG1 3.22Å | ||
| 640 | E | 27.3 | Very low | 27.5 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | -93.2 | 122.6 | 172.4 | -67.7 | -141 | 137.1 | 0 | 0 | 111.6 | D638 | D638-E640 PolarHBondContact O-N 2.67Š| ||
| 641 | T | 23.6 | Very low | 27.5 | Very low | 136 Ų | 136 | 133 Ų | 133 | 83% | 0.834 | 74% | 0.741 | S | S | * | * | trans | -95.9 | 95.6 | -175.7 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 642 | V | 29.4 | Very low | 27.6 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -118.8 | 134.6 | 173.4 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 643 | T | 30.6 | Very low | 27.6 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -56.6 | 131.5 | -169.7 | 48.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 644 | T | 24.3 | Very low | 27.7 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | 5 | 127.7 | 139.3 | 54 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 645 | N | 31.1 | Very low | 27.6 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -163.5 | 110.8 | 135.8 | -105.9 | -29.2 | 0 | 0 | 0 | 114.9 | ||||
| 646 | N | 30.5 | Very low | 27.6 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | trans | 44.6 | 123.4 | 134.2 | -59 | -13.5 | 0 | 0 | 0 | 124.2 | ||||
| 647 | N | 28.5 | Very low | 27.7 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | 100.4 | 153 | 128.4 | -70.9 | 0.6 | 0 | 0 | 0 | 122.2 | |||||
| 648 | P | 35 | Very low | 27.7 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | trans | -129.3 | -140.6 | -150.8 | 43.9 | -24.8 | 0 | 0 | 0 | 114.3 | ||||
| 649 | Y | 29.6 | Very low | 27.5 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | 85.7 | 142.4 | -173.2 | -59.9 | -79.9 | 0 | 0 | 0 | 113.9 | ||||
| 650 | E | 28.5 | Very low | 27.5 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | cis | -162.1 | 150.2 | -2.8 | -141.9 | 162.5 | -162.9 | 0 | 0 | 114.1 | ||||
| 651 | S | 26.7 | Very low | 27.4 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | 61.2 | 160.1 | 148.1 | 74.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 652 | Q | 29 | Very low | 27.5 | Very low | 182 Ų | 182 | 137 Ų | 137 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | cis | -158.6 | 167.2 | -23.6 | -112.1 | 177.7 | 18.7 | 0 | 0 | 112 | ||||
| 653 | N | 24.8 | Very low | 27.3 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -51 | 153.5 | -174.4 | -41.7 | -20.3 | 0 | 0 | 0 | 119.2 | ||||
| 654 | I | 28.9 | Very low | 27 | Very low | 163 Ų | 163 | 137 Ų | 137 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | -141.4 | 138.6 | 129.1 | -59.1 | -174.4 | 0 | 0 | 0 | 108.5 | |||||
| 655 | D | 22.2 | Very low | 27.1 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -126.2 | 124 | -179.6 | -112.2 | -40.4 | 0 | 0 | 0 | 111.9 | ||||
| 656 | T | 27.4 | Very low | 26.8 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | trans | 178.9 | 159.5 | 171.1 | 7.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 657 | V | 28.1 | Very low | 26.5 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | cis | -126.9 | 151.4 | 1.4 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 658 | L | 25.9 | Very low | 26.3 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | -50.4 | 134.6 | 172.8 | -174.2 | 69.1 | 0 | 0 | 0 | 120.3 | ||||
| 659 | S | 22.6 | Very low | 25.8 | Very low | 93 Ų | 93 | 134.5 Ų | 134.5 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | 5.3 | 131.3 | 142.1 | -51.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 660 | T | 23.6 | Very low | 25.8 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | 64.2 | 119.3 | 124.9 | -46.8 | 0 | 0 | 0 | 0 | 123 | |||||
| 661 | A | 25.9 | Very low | 25.7 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | trans | -154.5 | 156.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 662 | I | 24.5 | Very low | 25.6 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | -138 | 137.1 | 177.8 | -61.7 | 171.7 | 0 | 0 | 0 | 109.4 | ||||
| 663 | T | 26 | Very low | 25.8 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | -158.9 | 164.9 | 159.4 | -69.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 664 | T | 23.3 | Very low | 26 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -142.3 | 176.5 | -152.4 | -34.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 665 | T | 26.6 | Very low | 26.2 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | 73.3 | 157.1 | 162.4 | 61.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 666 | I | 24.5 | Very low | 26.4 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | cis | -171.6 | 162.9 | -45.7 | -114.2 | 168.7 | 0 | 0 | 0 | 110 | ||||
| 667 | S | 25.3 | Very low | 26.3 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 70.6 | 118 | 164.5 | 66.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 668 | S | 24 | Very low | 26 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | 81.5 | 143.8 | 82.9 | 81.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 669 | T | 24.2 | Very low | 26 | Very low | 116 Ų | 116 | 129 Ų | 129 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | cis | -163.6 | 166.8 | 15.6 | -16.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 670 | T | 28.9 | Very low | 26.2 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | 63.3 | 143.6 | 165.2 | 55.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 671 | G | 26.5 | Very low | 26.1 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | cis | -178.7 | 162.2 | -6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 672 | T | 26.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 134.4 Ų | 134.4 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | 49.8 | 110.5 | 160.5 | 54.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 673 | H | 31.9 | Very low | 26 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 78% | 0.778 | 77% | 0.768 | S | S | * | * | -163.9 | 131.8 | 108.5 | -109.6 | -72.2 | 0 | 0 | 0 | 113.8 | |||||
| 674 | N | 30.1 | Very low | 25.9 | Very low | 141 Ų | 141 | 132.8 Ų | 132.8 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 15.3 | 108.9 | 157.4 | -53 | -9.1 | 0 | 0 | 0 | 121 | ||||
| 675 | I | 31.8 | Very low | 26.1 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | -146.1 | 147.9 | 116.2 | -98.5 | 162.1 | 0 | 0 | 0 | 106.7 | |||||
| 676 | S | 26.1 | Very low | 26 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | -119.2 | 128.5 | -161.7 | 57.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 677 | T | 26.7 | Very low | 26.2 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | trans | -159.9 | 143.7 | 137.1 | 14.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 678 | S | 22.1 | Very low | 26.4 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | -167.7 | 174.2 | -176.8 | 46.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 679 | Y | 25.5 | Very low | 26.6 | Very low | 209 Ų | 209 | 138.3 Ų | 138.3 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | trans | 70.1 | 154.2 | 174.1 | -60 | -72.9 | 0 | 0 | 0 | 115.9 | ||||
| 680 | H | 25.6 | Very low | 26.9 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -163.5 | -165.1 | -32.6 | -149.8 | -114.2 | 0 | 0 | 0 | 109.7 | ||||
| 681 | S | 21.8 | Very low | 26.8 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 57% | 0.566 | 77% | 0.771 | S | S | * | * | trans | -45.1 | 141.8 | 170.1 | 54.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 682 | F | 23.1 | Very low | 27 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | trans | 34.9 | 125.7 | 140.8 | -75.9 | -90.1 | 0 | 0 | 0 | 121 | ||||
| 683 | V | 25.6 | Very low | 27.2 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | 169.7 | 143.7 | 109.4 | 157.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 684 | N | 23.8 | Very low | 27.1 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | -25.4 | 143.7 | 172.5 | -58.6 | -50.7 | 0 | 0 | 0 | 121.1 | ||||
| 685 | N | 28 | Very low | 27.3 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | -133.4 | 126.1 | 109.8 | -90.3 | -38.2 | 0 | 0 | 0 | 107.3 | |||||
| 686 | K | 24.8 | Very low | 27 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 74% | 0.739 | 77% | 0.773 | S | S | * | * | cis | 85.6 | 131.6 | 45.9 | -96.4 | -169.5 | 171.6 | -178.2 | 0 | 115.3 | ||||
| 687 | S | 28.1 | Very low | 27 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 73.1 | 134.8 | -178.6 | 83.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 688 | T | 30.2 | Very low | 27.1 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | cis | -136.8 | 150.4 | 2.9 | 47.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 689 | N | 28.6 | Very low | 27.3 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 66.4 | 112.5 | 148 | -61.3 | -3.2 | 0 | 0 | 0 | 123.6 | ||||
| 690 | N | 29.7 | Very low | 27.5 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | 98.9 | 106.6 | 129.6 | -65.3 | -8.2 | 0 | 0 | 0 | 123.2 | |||||
| 691 | V | 27.5 | Very low | 27.5 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | 65.4 | 127.9 | 130.6 | -175.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 692 | A | 30.9 | Very low | 27.9 | Very low | 83 Ų | 83 | 147.7 Ų | 147.7 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | cis | -141.4 | 124.5 | 4.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 693 | K | 28.6 | Very low | 27.9 | Very low | 204 Ų | 204 | 149.4 Ų | 149.4 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | 68.8 | 104 | 90.5 | -74.5 | -171.3 | 173.2 | -178.2 | 0 | 118.1 | |||||
| 694 | K | 31.3 | Very low | 28.1 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -70.9 | 168.6 | 135.6 | -79.4 | -176.5 | 173 | -177.7 | 0 | 110.7 | ||||
| 695 | P | 32.7 | Very low | 28.2 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -123.7 | 157.5 | 144 | 36.9 | -27 | 0 | 0 | 0 | 113.2 | ||||
| 696 | D | 26.4 | Very low | 28.3 | Very low | 152 Ų | 152 | 150.9 Ų | 150.9 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -98.6 | 171.3 | -176.9 | -63.8 | -70.3 | 0 | 0 | 0 | 114 | ||||
| 697 | V | 27 | Very low | 28.5 | Very low | 142 Ų | 142 | 152.3 Ų | 152.3 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -99.2 | 126.2 | 177 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 698 | I | 28.4 | Very low | 28.5 | Very low | 149 Ų | 149 | 155 Ų | 155 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | trans | -130.3 | 117.1 | 168.4 | -69.5 | -175.7 | 0 | 0 | 0 | 110.6 | ||||
| 699 | T | 25 | Very low | 28.6 | Very low | 119 Ų | 119 | 155 Ų | 155 | 73% | 0.73 | 82% | 0.819 | S | S | * | * | trans | 28.9 | 120.2 | 160.2 | 62.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 700 | H | 31 | Very low | 28.6 | Very low | 189 Ų | 189 | 155.1 Ų | 155.1 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | -140.4 | 151.8 | 123.7 | -125.7 | -93.1 | 0 | 0 | 0 | 110.6 | |||||
| 701 | N | 24.3 | Very low | 28.8 | Very low | 154 Ų | 154 | 154 Ų | 154 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -74.1 | 137.9 | -177.7 | -67.7 | -61.8 | 0 | 0 | 0 | 111.5 | ||||
| 702 | D | 30.3 | Very low | 29.1 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -146.1 | 155.2 | 137.5 | -138.8 | -26.2 | 0 | 0 | 0 | 111.8 | ||||
| 703 | R | 24 | Very low | 29.3 | Very low | 235 Ų | 235 | 153.3 Ų | 153.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -106.9 | 110.4 | -172 | -69.5 | 175.6 | 175.5 | 167.3 | -1.9 | 111.4 | ||||
| 704 | D | 29.5 | Very low | 29.7 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -155.3 | 133.8 | 141.7 | -134.1 | -16.2 | 0 | 0 | 0 | 114.2 | ||||
| 705 | G | 27.1 | Very low | 30 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | -98.5 | 105.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 706 | K | 30.1 | Very low | 30.1 | Very low | 208 Ų | 208 | 141 Ų | 141 | 90% | 0.904 | 74% | 0.744 | S | S | * | * | trans | -116 | 123.4 | 163.9 | -79 | 175.6 | -178.4 | 163.1 | 0 | 111.1 | L708 | K706-L708 PolarHBondContact O-N 2.8Š| ||
| 707 | K | 27.7 | Very low | 30.6 | Very low | 199 Ų | 199 | 136.7 Ų | 136.7 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | -66.7 | 127.5 | -179.4 | -71.9 | 177.2 | 175.8 | 174 | 0 | 110.7 | ||||
| 708 | L | 27.8 | Very low | 31.2 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 91% | 0.911 | 70% | 0.698 | S | S | * | * | trans | -58.1 | 140.4 | 159.6 | -159.2 | 72.8 | 0 | 0 | 0 | 108.7 | K706 | K706-L708 PolarHBondContact O-N 2.8Š| ||
| 709 | V | 33.1 | Very low | 31.7 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | trans | -112.7 | 131.1 | 177 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | T711 | V709-T711 PolarHBondContact O-N 2.74Š| ||
| 710 | D | 28.4 | Very low | 32.6 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | trans | -57.6 | 106.7 | -172.3 | -61.6 | -72.8 | 0 | 0 | 0 | 113.5 | S712 | D710-S712 VanDerWaalsContact C-N 3.31Š| ||
| 711 | T | 34 | Very low | 33.1 | Very low | 115 Ų | 115 | 120 Ų | 120 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | trans | -79.9 | -12.1 | 171 | 39.8 | 0 | 0 | 0 | 0 | 113.1 | V709 Q713 L714 | V709-T711 PolarHBondContact O-N 2.74Å; T711-Q713 PolarHBondContact O-N 3.24Å; T711-L714 WeakPolarHBondContact O-CB 3.24Å; T711-L714 PolarHBondContact O-N 2.81Å; T711-L714 VanDerWaalsContact O-N 3.14Å | ||
| 712 | S | 33 | Very low | 33.8 | Very low | 65 Ų | 65 | 115.5 Ų | 115.5 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.2 | -35.2 | -174.8 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | D710 L714 S715 | D710-S712 VanDerWaalsContact C-N 3.31Å; S712-L714 VanDerWaalsContact C-N 3.27Å; S712-L714 PolarHBondContact O-N 2.78Å; S712-S715 PolarHBondContact O-OG 3.17Å; S712-S715 VanDerWaalsContact O-OG 3.09Å |
| 713 | Q | 36.5 | Very low | 34.3 | Very low | 147 Ų | 147 | 111.3 Ų | 111.3 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72 | -20.5 | 179 | -67.9 | -170.8 | -17.1 | 0 | 0 | 113.4 | T711 S717 | T711-Q713 PolarHBondContact O-N 3.24Å; Q713-S717 PolarHBondContact O-N 2.94Å; Q713-S717 PolarHBondContact O-OG 3.27Å; Q713-S717 VanDerWaalsContact O-OG 3.07Å |
| 714 | L | 36.5 | Very low | 35.1 | Very low | 41 Ų | 41 | 106.7 Ų | 106.7 | 22% | 0.215 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -77.3 | -39.6 | -178 | -173.4 | 59.3 | 0 | 0 | 0 | 111.9 | K50 T711 S712 I718 | K50-L714 HydrophobicContact CD-CD1 4.39Å; T711-L714 WeakPolarHBondContact O-CB 3.24Å; T711-L714 PolarHBondContact O-N 2.81Å; T711-L714 VanDerWaalsContact O-N 3.14Å; S712-L714 VanDerWaalsContact C-N 3.27Å; S712-L714 PolarHBondContact O-N 2.78Å; L714-I718 HydrophobicContact CD1-CD1 3.88Å; L714-I718 HydrophobicContact CG-CD1 4.04Å; L714-I718 WeakPolarHBondContact O-CG1 3.23Å; L714-I718 PolarHBondContact O-N 3.09Å |
| 715 | S | 36.7 | Very low | 35.6 | Very low | 74 Ų | 74 | 101.4 Ų | 101.4 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.3 | -43.1 | 177.6 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | S712 S717 I718 S719 | S712-S715 PolarHBondContact O-OG 3.17Å; S712-S715 VanDerWaalsContact O-OG 3.09Å; S715-S717 PolarHBondContact O-N 3.46Å; S715-I718 PolarHBondContact O-N 2.86Å; S715-S719 WeakPolarHBondContact O-CB 3.47Å; S715-S719 PolarHBondContact O-N 3.39Å |
| 716 | Q | 36.1 | Very low | 36 | Very low | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59.4 | -45.9 | 178.9 | -71.5 | -177.9 | -26.8 | 0 | 0 | 112.5 | I718 S719 T720 | Q716-I718 VanDerWaalsContact C-N 3.3Å; Q716-I718 PolarHBondContact O-N 3.29Å; Q716-S719 PolarHBondContact O-N 3.44Å; Q716-T720 PolarHBondContact O-N 3.07Å; Q716-T720 VanDerWaalsContact O-N 3.12Å; Q716-T720 PolarHBondContact O-OG1 2.91Å |
| 717 | S | 36.3 | Very low | 36.3 | Very low | 63 Ų | 63 | 103.2 Ų | 103.2 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -31.2 | -179.7 | -59.8 | 0 | 0 | 0 | 0 | 113.6 | Q713 S715 T720 V721 | Q713-S717 PolarHBondContact O-N 2.94Å; Q713-S717 PolarHBondContact O-OG 3.27Å; Q713-S717 VanDerWaalsContact O-OG 3.07Å; S715-S717 PolarHBondContact O-N 3.46Å; S717-T720 PolarHBondContact O-OG1 3.4Å; S717-V721 WeakPolarHBondContact O-CG2 3.3Å |
| 718 | I | 39.8 | Very low | 36.7 | Very low | 49 Ų | 49 | 96.3 Ų | 96.3 | 25% | 0.251 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -85.8 | -34.1 | 179.7 | -66.8 | 172.4 | 0 | 0 | 0 | 110.1 | L714 S715 Q716 L722 | L714-I718 HydrophobicContact CD1-CD1 3.88Å; L714-I718 HydrophobicContact CG-CD1 4.04Å; L714-I718 WeakPolarHBondContact O-CG1 3.23Å; L714-I718 PolarHBondContact O-N 3.09Å; S715-I718 PolarHBondContact O-N 2.86Å; Q716-I718 VanDerWaalsContact C-N 3.3Å; Q716-I718 PolarHBondContact O-N 3.29Å; I718-L722 HydrophobicContact CG2-CD1 3.83Å; I718-L722 HydrophobicContact CG2-CG 4.41Å; I718-L722 WeakPolarHBondContact O-CB 3.14Å; I718-L722 WeakPolarHBondContact O-CG 3.42Å; I718-L722 PolarHBondContact O-N 3.3Å |
| 719 | S | 39.3 | Very low | 37.1 | Very low | 65 Ų | 65 | 93.3 Ų | 93.3 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -51.9 | 174.3 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | S715 Q716 V721 L722 T723 | S715-S719 WeakPolarHBondContact O-CB 3.47Å; S715-S719 PolarHBondContact O-N 3.39Å; Q716-S719 PolarHBondContact O-N 3.44Å; S719-V721 PolarHBondContact O-N 3.39Å; S719-L722 PolarHBondContact O-N 3.24Å; S719-L722 VanDerWaalsContact O-N 3.15Å; S719-T723 PolarHBondContact O-N 2.99Å; S719-T723 PolarHBondContact O-OG1 3.24Å; S719-T723 VanDerWaalsContact O-OG1 3.1Å |
| 720 | T | 42.3 | Very low | 37.1 | Very low | 81 Ų | 81 | 94 Ų | 94 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 179.4 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | Q716 S717 L722 T723 E724 | Q716-T720 PolarHBondContact O-N 3.07Å; Q716-T720 VanDerWaalsContact O-N 3.12Å; Q716-T720 PolarHBondContact O-OG1 2.91Å; S717-T720 PolarHBondContact O-OG1 3.4Å; T720-L722 PolarHBondContact O-N 2.71Å; T720-T723 PolarHBondContact O-N 3.26Å; T720-E724 WeakPolarHBondContact O-CG 3.4Å; T720-E724 PolarHBondContact O-N 2.94Å |
| 721 | V | 42.8 | Very low | 37.2 | Very low | 52 Ų | 52 | 91.7 Ų | 91.7 | 32% | 0.315 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 178.1 | 177 | 0 | 0 | 0 | 0 | 112.1 | S717 S719 H725 | S717-V721 WeakPolarHBondContact O-CG2 3.3Å; S719-V721 PolarHBondContact O-N 3.39Å; V721-H725 WeakPolarHBondContact O-CB 3.39Å; V721-H725 PolarHBondContact O-N 3.36Å |
| 722 | L | 38 | Very low | 37 | Very low | 61 Ų | 61 | 94.3 Ų | 94.3 | 32% | 0.319 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 172.9 | -81.5 | 167.8 | 0 | 0 | 0 | 112.4 | I718 S719 T720 H725 R726 V760 | I718-L722 HydrophobicContact CG2-CD1 3.83Å; I718-L722 HydrophobicContact CG2-CG 4.41Å; I718-L722 WeakPolarHBondContact O-CB 3.14Å; I718-L722 WeakPolarHBondContact O-CG 3.42Å; I718-L722 PolarHBondContact O-N 3.3Å; S719-L722 PolarHBondContact O-N 3.24Å; S719-L722 VanDerWaalsContact O-N 3.15Å; T720-L722 PolarHBondContact O-N 2.71Å; L722-H725 PolarHBondContact O-N 3.28Å; L722-R726 WeakPolarHBondContact O-CG 3.35Å; L722-R726 PolarHBondContact O-N 2.95Å; L722-V760 HydrophobicContact CD2-CG1 3.61Å; L722-V760 HydrophobicContact CG-CG1 4.16Å |
| 723 | T | 41.4 | Very low | 36.6 | Very low | 74 Ų | 74 | 98 Ų | 98 | 45% | 0.454 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.1 | -45.2 | 178.2 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | S719 T720 H725 R726 L727 | S719-T723 PolarHBondContact O-N 2.99Å; S719-T723 PolarHBondContact O-OG1 3.24Å; S719-T723 VanDerWaalsContact O-OG1 3.1Å; T720-T723 PolarHBondContact O-N 3.26Å; T723-H725 VanDerWaalsContact C-N 3.31Å; T723-H725 PolarHBondContact O-N 3.48Å; T723-R726 PolarHBondContact O-N 3Å; T723-L727 HydrophobicContact CG2-CD1 4.34Å; T723-L727 WeakPolarHBondContact O-CG 3.26Å; T723-L727 PolarHBondContact O-N 3.17Å; T723-L727 VanDerWaalsContact O-N 3.09Å |
| 724 | E | 41.6 | Very low | 36 | Very low | 138 Ų | 138 | 98.4 Ų | 98.4 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.1 | -41.6 | 172.4 | -73.2 | 176.3 | 173.8 | 0 | 0 | 111.6 | T720 S728 | T720-E724 WeakPolarHBondContact O-CG 3.4Å; T720-E724 PolarHBondContact O-N 2.94Å; E724-S728 PolarHBondContact O-N 3.31Å |
| 725 | H | 38.4 | Very low | 35.3 | Very low | 59 Ų | 59 | 102.6 Ų | 102.6 | 27% | 0.273 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.1 | -35.4 | 178.4 | -162.6 | -53.6 | 0 | 0 | 0 | 112.7 | V721 L722 T723 S728 M729 | V721-H725 WeakPolarHBondContact O-CB 3.39Å; V721-H725 PolarHBondContact O-N 3.36Å; L722-H725 PolarHBondContact O-N 3.28Å; T723-H725 VanDerWaalsContact C-N 3.31Å; T723-H725 PolarHBondContact O-N 3.48Å; H725-S728 PolarHBondContact O-N 3.03Å; H725-S728 PolarHBondContact O-OG 3.47Å; H725-M729 WeakPolarHBondContact O-CG 3.35Å; H725-M729 PolarHBondContact O-N 2.97Å |
| 726 | R | 36.5 | Very low | 34.7 | Very low | 192 Ų | 192 | 105.2 Ų | 105.2 | 73% | 0.725 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.3 | -50.1 | 173.5 | -82.8 | -176.6 | 174.7 | -175.4 | -2.5 | 110.9 | L722 T723 S728 M729 | L722-R726 WeakPolarHBondContact O-CG 3.35Å; L722-R726 PolarHBondContact O-N 2.95Å; T723-R726 PolarHBondContact O-N 3Å; R726-S728 PolarHBondContact O-N 3.47Å; R726-S728 VanDerWaalsContact O-N 3.07Å; R726-M729 PolarHBondContact O-N 3.48Å |
| 727 | L | 36.2 | Very low | 34.2 | Very low | 127 Ų | 127 | 104.1 Ų | 104.1 | 67% | 0.665 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -58.3 | -24 | 176.4 | -67.6 | 168.4 | 0 | 0 | 0 | 113.2 | T723 | T723-L727 HydrophobicContact CG2-CD1 4.34Å; T723-L727 WeakPolarHBondContact O-CG 3.26Å; T723-L727 PolarHBondContact O-N 3.17Å; T723-L727 VanDerWaalsContact O-N 3.09Å |
| 728 | S | 36.2 | Very low | 33.5 | Very low | 55 Ų | 55 | 108.8 Ų | 108.8 | 39% | 0.385 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -78.2 | -25.6 | 173.5 | 82.4 | 0 | 0 | 0 | 0 | 114.5 | E724 H725 R726 S731 | E724-S728 PolarHBondContact O-N 3.31Å; H725-S728 PolarHBondContact O-N 3.03Å; H725-S728 PolarHBondContact O-OG 3.47Å; R726-S728 PolarHBondContact O-N 3.47Å; R726-S728 VanDerWaalsContact O-N 3.07Å; S728-S731 PolarHBondContact O-OG 3.22Å |
| 729 | M | 36.4 | Very low | 32.7 | Very low | 110 Ų | 110 | 112.3 Ų | 112.3 | 54% | 0.542 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78.7 | -37.6 | -174 | -68.3 | -100.2 | 50.7 | 0 | 0 | 112.1 | H725 R726 S731 K732 | H725-M729 WeakPolarHBondContact O-CG 3.35Å; H725-M729 PolarHBondContact O-N 2.97Å; R726-M729 PolarHBondContact O-N 3.48Å; M729-S731 PolarHBondContact O-N 3.31Å; M729-K732 PolarHBondContact O-N 3.44Å |
| 730 | D | 32.3 | Very low | 31.9 | Very low | 132 Ų | 132 | 115 Ų | 115 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -7.7 | 178.7 | -57.6 | -37.2 | 0 | 0 | 0 | 113.3 | ||
| 731 | S | 30.6 | Very low | 31 | Very low | 88 Ų | 88 | 117.2 Ų | 117.2 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 5.6 | 177.8 | 75.2 | 0 | 0 | 0 | 0 | 115.4 | S728 M729 | S728-S731 PolarHBondContact O-OG 3.22Å; M729-S731 PolarHBondContact O-N 3.31Å |
| 732 | K | 29.6 | Very low | 30.1 | Very low | 170 Ų | 170 | 121.3 Ų | 121.3 | 74% | 0.739 | 66% | 0.662 | S | S | * | * | trans | -133.1 | 43.6 | -171.8 | -70.9 | -166.2 | 175.1 | -176.7 | 0 | 116.3 | M729 | M729-K732 PolarHBondContact O-N 3.44Š| ||
| 733 | N | 24.5 | Very low | 29.4 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | trans | -95.3 | 140.3 | 154.3 | -73.2 | -34.2 | 0 | 0 | 0 | 109.8 | ||||
| 734 | I | 24.6 | Very low | 28.6 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | trans | 135 | 109.5 | 163.3 | -72.8 | 158.5 | 0 | 0 | 0 | 113.2 | ||||
| 735 | T | 22.4 | Very low | 27.7 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | 59.9 | 159.4 | 169.2 | 48.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 736 | V | 23.8 | Very low | 27 | Very low | 129 Ų | 129 | 128 Ų | 128 | 78% | 0.782 | 71% | 0.714 | S | S | * | * | cis | -135.6 | -164.1 | 14 | -144.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 737 | P | 24.6 | Very low | 26.3 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | -111.8 | -179.2 | -118.5 | 44.7 | -30 | 0 | 0 | 0 | 117.5 | |||||
| 738 | L | 22.9 | Very low | 25.9 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 85% | 0.848 | 71% | 0.709 | S | S | * | * | trans | -65.2 | 136.3 | 173.5 | -174.1 | 80.6 | 0 | 0 | 0 | 114.4 | ||||
| 739 | T | 22.4 | Very low | 25.3 | Very low | 123 Ų | 123 | 126 Ų | 126 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | -172.1 | 143.4 | 142.4 | 8.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 740 | T | 23.3 | Very low | 24.9 | Very low | 120 Ų | 120 | 125 Ų | 125 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | trans | 54.7 | 93.9 | 155.3 | 53.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 741 | T | 22.7 | Very low | 24.5 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | trans | -4.1 | 131.2 | 134.3 | 19 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 742 | T | 24 | Very low | 24.6 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | -156 | 120.5 | 135.9 | -0.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 743 | T | 23.4 | Very low | 24.6 | Very low | 79 Ų | 79 | 123 Ų | 123 | 49% | 0.485 | 72% | 0.722 | S | S | . | * | trans | -73.6 | 127 | -178.2 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | R1225 | T743-R1225 PolarHBondContact OG1-NH2 3.27Š| ||
| 744 | N | 23.9 | Very low | 25.2 | Very low | 143 Ų | 143 | 118.2 Ų | 118.2 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | trans | -152.5 | 121.7 | 158.9 | -95.3 | -48.7 | 0 | 0 | 0 | 110.6 | T746 | N744-T746 PolarHBondContact O-N 3.5Å; N744-T746 PolarHBondContact O-OG1 3.48Å | ||
| 745 | T | 22.6 | Very low | 25.9 | Very low | 140 Ų | 140 | 115.5 Ų | 115.5 | 86% | 0.859 | 69% | 0.69 | S | S | * | * | trans | -65.7 | 92.5 | 176.7 | -22.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 746 | T | 24.1 | Very low | 26.9 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | trans | -96.8 | 116.5 | -171.5 | -48.6 | 0 | 0 | 0 | 0 | 109.1 | N744 I748 | N744-T746 PolarHBondContact O-N 3.5Å; N744-T746 PolarHBondContact O-OG1 3.48Å; T746-I748 PolarHBondContact O-N 3.02Å; T746-I748 VanDerWaalsContact O-N 3.15Å | ||
| 747 | T | 23 | Very low | 28.2 | Very low | 87 Ų | 87 | 114 Ų | 114 | 53% | 0.534 | 66% | 0.662 | S | S | . | * | trans | -53.6 | 120.5 | 174.7 | 26.7 | 0 | 0 | 0 | 0 | 109.9 | T749 | T747-T749 PolarHBondContact O-N 2.88Å; T747-T749 PolarHBondContact O-OG1 2.97Å | ||
| 748 | I | 26.4 | Very low | 30.2 | Very low | 143 Ų | 143 | 109.2 Ų | 109.2 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | trans | -71.1 | 74.8 | -174.2 | -56.7 | -179.4 | 0 | 0 | 0 | 110.1 | T746 T750 | T746-I748 PolarHBondContact O-N 3.02Å; T746-I748 VanDerWaalsContact O-N 3.15Å; I748-T750 VanDerWaalsContact C-N 3.34Å; I748-T750 HydrophobicContact CG2-CG2 3.79Å; I748-T750 PolarHBondContact O-N 2.84Å | ||
| 749 | T | 23.5 | Very low | 32.7 | Very low | 102 Ų | 102 | 101.8 Ų | 101.8 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | trans | -88.3 | 80.1 | 163.1 | 42.2 | 0 | 0 | 0 | 0 | 106.8 | T747 S751 | T747-T749 PolarHBondContact O-N 2.88Å; T747-T749 PolarHBondContact O-OG1 2.97Å; T749-S751 VanDerWaalsContact C-N 3.3Å; T749-S751 PolarHBondContact O-N 3.46Å | ||
| 750 | T | 28 | Very low | 35.5 | Very low | 91 Ų | 91 | 97.1 Ų | 97.1 | 56% | 0.558 | 56% | 0.564 | S | S | * | * | trans | -59.8 | 90.8 | 177 | 32.5 | 0 | 0 | 0 | 0 | 110.8 | I748 F752 | I748-T750 VanDerWaalsContact C-N 3.34Å; I748-T750 HydrophobicContact CG2-CG2 3.79Å; I748-T750 PolarHBondContact O-N 2.84Å; T750-F752 HydrophobicContact CG2-CD2 4.32Å; T750-F752 HydrophobicContact CG2-CE2 4.24Å; T750-F752 PolarHBondContact O-N 2.71Å | ||
| 751 | S | 25.3 | Very low | 38.2 | Very low | 95 Ų | 95 | 96.7 Ų | 96.7 | 66% | 0.664 | 55% | 0.553 | S | S | * | * | trans | -69.8 | 71.4 | 161 | 46 | 0 | 0 | 0 | 0 | 108.4 | T749 S753 | T749-S751 VanDerWaalsContact C-N 3.3Å; T749-S751 PolarHBondContact O-N 3.46Å; S751-S753 PolarHBondContact O-N 3.41Å | ||
| 752 | F | 31.5 | Very low | 41 | Very low | 135 Ų | 135 | 90.7 Ų | 90.7 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | trans | -54.1 | 91.9 | -174.4 | -112.8 | -72.9 | 0 | 0 | 0 | 111.1 | T750 I754 | T750-F752 HydrophobicContact CG2-CD2 4.32Å; T750-F752 HydrophobicContact CG2-CE2 4.24Å; T750-F752 PolarHBondContact O-N 2.71Å; F752-I754 HydrophobicContact CB-CD1 4.2Å; F752-I754 HydrophobicContact CB-CG1 4Å; F752-I754 HydrophobicContact CD1-CD1 4.35Å; F752-I754 HydrophobicContact CD1-CG1 3.73Å; F752-I754 HydrophobicContact CG-CG1 4.26Å; F752-I754 PolarHBondContact O-N 3.07Å | ||
| 753 | S | 29.8 | Very low | 43.8 | Very low | 117 Ų | 117 | 84.7 Ų | 84.7 | 82% | 0.818 | 48% | 0.479 | S | S | * | . | trans | -78.6 | 71.9 | 171.5 | 53.9 | 0 | 0 | 0 | 0 | 108.4 | S751 S755 | S751-S753 PolarHBondContact O-N 3.41Å; S753-S755 PolarHBondContact O-N 3.45Å; S753-S755 VanDerWaalsContact O-N 3.1Å | ||
| 754 | I | 37 | Very low | 46.7 | Very low | 44 Ų | 44 | 84.9 Ų | 84.9 | 23% | 0.226 | 47% | 0.474 | C | S | . | . | trans | -60 | 111.6 | -169.3 | -75.9 | 167.6 | 0 | 0 | 0 | 110.9 | Y231 F752 S758 | Y231-I754 HydrophobicContact CE1-CD1 3.59Å; F752-I754 HydrophobicContact CB-CD1 4.2Å; F752-I754 HydrophobicContact CB-CG1 4Å; F752-I754 HydrophobicContact CD1-CD1 4.35Å; F752-I754 HydrophobicContact CD1-CG1 3.73Å; F752-I754 HydrophobicContact CG-CG1 4.26Å; F752-I754 PolarHBondContact O-N 3.07Å; I754-S758 WeakPolarHBondContact CG2-OG 3.45Å | ||
| 755 | S | 39.2 | Very low | 49.4 | Very low | 97 Ų | 97 | 78.1 Ų | 78.1 | 68% | 0.678 | 44% | 0.438 | S | S | * | . | trans | -67.1 | 150.1 | 157.6 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | S753 G757 S758 | S753-S755 PolarHBondContact O-N 3.45Å; S753-S755 VanDerWaalsContact O-N 3.1Å; S755-G757 PolarHBondContact O-N 2.88Å; S755-S758 PolarHBondContact O-N 2.99Å; S755-S758 VanDerWaalsContact O-N 3.09Å | ||
| 756 | R | 43.6 | Very low | 52.1 | Low | 208 Ų | 208 | 71.5 Ų | 71.5 | 79% | 0.785 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -28 | -173.2 | -79.8 | 179.5 | 167.8 | 168.1 | -5.5 | 114.9 | S758 D759 | R756-S758 VanDerWaalsContact C-N 3.28Å; R756-S758 PolarHBondContact O-N 3Å; R756-D759 WeakPolarHBondContact O-CB 3.38Å; R756-D759 PolarHBondContact O-N 2.9Å; R756-D759 VanDerWaalsContact O-N 3.16Å |
| 757 | G | 50.8 | Low | 54.8 | Low | 19 Ų | 19 | 69.8 Ų | 69.8 | 20% | 0.196 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -56.4 | -37.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | S755 D759 V760 E761 | S755-G757 PolarHBondContact O-N 2.88Å; G757-D759 PolarHBondContact O-N 3.41Å; G757-V760 PolarHBondContact O-N 2.88Å; G757-V760 VanDerWaalsContact O-N 3.11Å; G757-E761 PolarHBondContact O-N 3.2Å |
| 758 | S | 67.7 | Low | 57.4 | Low | 13 Ų | 13 | 69.6 Ų | 69.6 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.4 | -12.6 | -178.5 | 136.5 | 0 | 0 | 0 | 0 | 113.7 | I754 S755 R756 M762 | I754-S758 WeakPolarHBondContact CG2-OG 3.45Å; S755-S758 PolarHBondContact O-N 2.99Å; S755-S758 VanDerWaalsContact O-N 3.09Å; R756-S758 VanDerWaalsContact C-N 3.28Å; R756-S758 PolarHBondContact O-N 3Å; S758-M762 WeakPolarHBondContact O-CB 3.48Å; S758-M762 PolarHBondContact O-N 3.39Å |
| 759 | D | 75.4 | Confident | 59.5 | Low | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.027 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.5 | -44 | 169.1 | -75.9 | 15.7 | 0 | 0 | 0 | 110.3 | R29 S41 R756 G757 M762 L763 | R29-D759 IonicContact CZ-OD1 3.6Å; R29-D759 VanDerWaalsContact CZ-OD1 3.3Å; R29-D759 IonicContact CZ-OD2 2.74Å; R29-D759 IonicContact NH1-OD1 3.07Å; R29-D759 PolarHBondContact NH1-OD1 2.87Å; R29-D759 IonicContact NH1-OD2 3.59Å; R29-D759 IonicContact NH2-OD1 2.71Å; R29-D759 PolarHBondContact NH2-OD1 3.18Å; R29-D759 VanDerWaalsContact NH2-OD1 3.09Å; R29-D759 IonicContact NH2-OD2 3.77Å; R29-D759 PolarHBondContact NH2-OD2 2.81Å; S41-D759 WeakPolarHBondContact CB-OD2 3.36Å; S41-D759 PolarHBondContact OG-OD2 3.17Å; R756-D759 WeakPolarHBondContact O-CB 3.38Å; R756-D759 PolarHBondContact O-N 2.9Å; R756-D759 VanDerWaalsContact O-N 3.16Å; G757-D759 PolarHBondContact O-N 3.41Å; D759-M762 PolarHBondContact O-N 2.63Å; D759-L763 WeakPolarHBondContact O-CB 3.49Å; D759-L763 VanDerWaalsContact O-CG 3.24Å; D759-L763 WeakPolarHBondContact O-CG 3.42Å; D759-L763 PolarHBondContact O-N 2.91Å |
| 760 | V | 80.9 | Confident | 61.5 | Low | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.1 | -41.3 | -177.5 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | L722 G757 M762 L763 Q764 | L722-V760 HydrophobicContact CD2-CG1 3.61Å; L722-V760 HydrophobicContact CG-CG1 4.16Å; G757-V760 PolarHBondContact O-N 2.88Å; G757-V760 VanDerWaalsContact O-N 3.11Å; V760-M762 PolarHBondContact O-N 2.94Å; V760-L763 PolarHBondContact O-N 3.26Å; V760-Q764 WeakPolarHBondContact O-CB 3.23Å; V760-Q764 PolarHBondContact O-N 3.38Å |
| 761 | E | 79 | Confident | 63.2 | Low | 111 Ų | 111 | 64.9 Ų | 64.9 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 173.5 | -61.5 | -178.4 | 134.1 | 0 | 0 | 112.3 | L234 G757 Q764 A765 | L234-E761 HydrophobicContact CD1-CB 3.89Å; G757-E761 PolarHBondContact O-N 3.2Å; E761-Q764 PolarHBondContact O-N 2.88Å; E761-A765 VanDerWaalsContact O-CB 3.25Å; E761-A765 WeakPolarHBondContact O-CB 3.44Å; E761-A765 PolarHBondContact O-N 2.99Å |
| 762 | M | 82.8 | Confident | 64.8 | Low | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 177.9 | -174 | -173 | 68.2 | 0 | 0 | 112 | L44 L227 G230 Y231 L234 S758 D759 V760 L766 | L44-M762 HydrophobicContact CD1-CE 3.44Å; L44-M762 VanDerWaalsContact CD1-CE 3.44Å; L227-M762 HydrophobicContact CD1-CE 4.14Å; L227-M762 HydrophobicContact CD1-SD 4.35Å; G230-M762 VanDerWaalsContact C-CG 3.4Å; G230-M762 WeakPolarHBondContact O-CG 3.5Å; Y231-M762 HydrophobicContact CD1-SD 3.83Å; Y231-M762 HydrophobicContact CE1-SD 3.91Å; L234-M762 HydrophobicContact CB-CB 4.48Å; L234-M762 HydrophobicContact CB-CG 4.37Å; L234-M762 HydrophobicContact CD2-CB 4.38Å; S758-M762 WeakPolarHBondContact O-CB 3.48Å; S758-M762 PolarHBondContact O-N 3.39Å; D759-M762 PolarHBondContact O-N 2.63Å; V760-M762 PolarHBondContact O-N 2.94Å; M762-L766 WeakPolarHBondContact O-CB 3.49Å; M762-L766 PolarHBondContact O-N 3.49Å |
| 763 | L | 82.5 | Confident | 66.2 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71 | -38.6 | 176.5 | -71.7 | -179.8 | 0 | 0 | 0 | 112.2 | V43 L44 F47 F226 D759 V760 L766 Q767 | V43-L763 HydrophobicContact CG1-CD1 3.75Å; L44-L763 HydrophobicContact CD1-CD2 3.94Å; L44-L763 HydrophobicContact CD1-CG 4.4Å; F47-L763 HydrophobicContact CB-CD1 4.06Å; F47-L763 HydrophobicContact CB-CD2 3.68Å; F47-L763 HydrophobicContact CB-CG 4.5Å; F47-L763 HydrophobicContact CD1-CD2 3.59Å; F47-L763 HydrophobicContact CD2-CD1 4.49Å; F47-L763 HydrophobicContact CD2-CD2 4.08Å; F47-L763 HydrophobicContact CE1-CD2 4.15Å; F47-L763 HydrophobicContact CG-CD1 4.39Å; F47-L763 HydrophobicContact CG-CD2 3.53Å; F47-L763 HydrophobicContact CG-CG 4.43Å; F226-L763 HydrophobicContact CZ-CD2 4.19Å; D759-L763 WeakPolarHBondContact O-CB 3.49Å; D759-L763 VanDerWaalsContact O-CG 3.24Å; D759-L763 WeakPolarHBondContact O-CG 3.42Å; D759-L763 PolarHBondContact O-N 2.91Å; V760-L763 PolarHBondContact O-N 3.26Å; L763-L766 HydrophobicContact CD2-CD1 4.2Å; L763-L766 PolarHBondContact O-N 2.58Å; L763-Q767 PolarHBondContact O-N 2.75Å |
| 764 | Q | 83 | Confident | 67.9 | Low | 84 Ų | 84 | 59 Ų | 59 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.2 | -49.3 | 172 | -166.7 | -169.1 | 9.7 | 0 | 0 | 110 | K237 V760 E761 L766 Q767 D768 | K237-Q764 VanDerWaalsContact NZ-OE1 3.13Å; V760-Q764 WeakPolarHBondContact O-CB 3.23Å; V760-Q764 PolarHBondContact O-N 3.38Å; E761-Q764 PolarHBondContact O-N 2.88Å; Q764-L766 VanDerWaalsContact C-N 3.29Å; Q764-L766 PolarHBondContact O-N 2.92Å; Q764-Q767 CarbonylContact O-C 3.59Å; Q764-Q767 WeakPolarHBondContact O-CA 3.47Å; Q764-Q767 PolarHBondContact O-N 2.85Å; Q764-D768 PolarHBondContact O-N 3.07Å |
| 765 | A | 80.7 | Confident | 69.1 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -38 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A233 K237 E761 D768 F769 | A233-A765 HydrophobicContact CB-CB 4.16Å; K237-A765 HydrophobicContact CB-CB 4.03Å; K237-A765 HydrophobicContact CD-CB 3.75Å; E761-A765 VanDerWaalsContact O-CB 3.25Å; E761-A765 WeakPolarHBondContact O-CB 3.44Å; E761-A765 PolarHBondContact O-N 2.99Å; A765-D768 PolarHBondContact O-N 3.08Å; A765-F769 WeakPolarHBondContact O-CB 3.45Å; A765-F769 WeakPolarHBondContact O-CD2 3.15Å; A765-F769 PolarHBondContact O-N 2.68Å; A765-F769 VanDerWaalsContact O-N 3.11Å |
| 766 | L | 79.8 | Confident | 70.4 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 170.6 | -88.7 | 168.6 | 0 | 0 | 0 | 111.7 | F47 F226 M229 A233 M762 L763 Q764 D768 F769 V770 I775 | F47-L766 HydrophobicContact CE1-CB 4.39Å; F47-L766 HydrophobicContact CE1-CD1 4.49Å; F226-L766 HydrophobicContact CE2-CD1 4.07Å; F226-L766 HydrophobicContact CZ-CD1 4.23Å; M229-L766 HydrophobicContact CB-CD2 4.37Å; A233-L766 HydrophobicContact CB-CD2 4.04Å; A233-L766 HydrophobicContact CB-CG 4.08Å; M762-L766 WeakPolarHBondContact O-CB 3.49Å; M762-L766 PolarHBondContact O-N 3.49Å; L763-L766 HydrophobicContact CD2-CD1 4.2Å; L763-L766 PolarHBondContact O-N 2.58Å; Q764-L766 VanDerWaalsContact C-N 3.29Å; Q764-L766 PolarHBondContact O-N 2.92Å; L766-D768 VanDerWaalsContact C-N 3.34Å; L766-F769 PolarHBondContact O-N 2.77Å; L766-V770 WeakPolarHBondContact O-CA 3.13Å; L766-V770 PolarHBondContact O-N 3.15Å; L766-I775 HydrophobicContact CD2-CD1 4.16Å |
| 767 | Q | 81 | Confident | 71.5 | Confident | 74 Ų | 74 | 48.1 Ų | 48.1 | 35% | 0.346 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -70.9 | -28.3 | -179.6 | -168.1 | 171.1 | -52.4 | 0 | 0 | 113.1 | F47 L763 Q764 | F47-Q767 HydrophobicContact CZ-CB 4.31Å; L763-Q767 PolarHBondContact O-N 2.75Å; Q764-Q767 CarbonylContact O-C 3.59Å; Q764-Q767 WeakPolarHBondContact O-CA 3.47Å; Q764-Q767 PolarHBondContact O-N 2.85Å |
| 768 | D | 77.4 | Confident | 72.2 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -72.1 | -32.9 | 175 | -59.2 | -31.3 | 0 | 0 | 0 | 112 | K237 Q764 A765 L766 | K237-D768 WeakPolarHBondContact CE-OD2 3.39Å; K237-D768 IonicContact NZ-OD2 3.2Å; K237-D768 PolarHBondContact NZ-OD2 3.07Å; Q764-D768 PolarHBondContact O-N 3.07Å; A765-D768 PolarHBondContact O-N 3.08Å; L766-D768 VanDerWaalsContact C-N 3.34Å |
| 769 | F | 70.2 | Confident | 72.5 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 34% | 0.342 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -112.2 | -14.6 | -171.4 | -75.4 | -64.3 | 0 | 0 | 0 | 116.3 | R236 K237 K240 A765 L766 | R236-F769 HydrophobicContact CB-CD2 4.24Å; R236-F769 HydrophobicContact CB-CE2 3.9Å; R236-F769 HydrophobicContact CB-CZ 4.06Å; K237-F769 HydrophobicContact CB-CE2 3.9Å; K237-F769 HydrophobicContact CG-CE2 4.49Å; K240-F769 HydrophobicContact CD-CZ 4.45Å; A765-F769 WeakPolarHBondContact O-CB 3.45Å; A765-F769 WeakPolarHBondContact O-CD2 3.15Å; A765-F769 PolarHBondContact O-N 2.68Å; A765-F769 VanDerWaalsContact O-N 3.11Å; L766-F769 PolarHBondContact O-N 2.77Å |
| 770 | V | 66.2 | Low | 72.9 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -146 | 126.1 | -174.5 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | L766 E774 I775 | L766-V770 WeakPolarHBondContact O-CA 3.13Å; L766-V770 PolarHBondContact O-N 3.15Å; V770-E774 HydrophobicContact CG1-CB 3.92Å; V770-I775 HydrophobicContact CB-CG1 4.32Å; V770-I775 HydrophobicContact CG1-CG1 3.65Å |
| 771 | Q | 63.6 | Low | 73.1 | Confident | 131 Ų | 131 | 53.9 Ų | 53.9 | 61% | 0.612 | 27% | 0.268 | S | S | * | . | trans | -66.7 | 142.9 | 173.3 | -59.7 | -165.7 | 8.4 | 0 | 0 | 109.8 | D773 E774 | Q771-D773 PolarHBondContact O-N 2.8Å; Q771-E774 HydrophobicContact CB-CG 3.99Å; Q771-E774 WeakPolarHBondContact CB-OE2 3.5Å; Q771-E774 PolarHBondContact N-OE2 2.74Å; Q771-E774 WeakPolarHBondContact O-CB 3.12Å; Q771-E774 PolarHBondContact O-N 3.1Å | ||
| 772 | P | 58.9 | Low | 73.5 | Confident | 41 Ų | 41 | 50.1 Ų | 50.1 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.5 | -173.6 | -30.5 | 36.7 | 0 | 0 | 0 | 115 | C51 | C51-P772 WeakPolarHBondContact CA-O 3.46Š|
| 773 | D | 60.9 | Low | 73.6 | Confident | 100 Ų | 100 | 60.3 Ų | 60.3 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -23 | 179.1 | -66.7 | -18.3 | 0 | 0 | 0 | 113.1 | P54 Q771 | P54-D773 HydrophobicContact CG-CB 4.4Å; P54-D773 WeakPolarHBondContact CG-OD1 3.07Å; Q771-D773 PolarHBondContact O-N 2.8Å |
| 774 | E | 65.1 | Low | 73.6 | Confident | 83 Ų | 83 | 65.9 Ų | 65.9 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -24.3 | -177.4 | -65.8 | 179.8 | 127.6 | 0 | 0 | 113.8 | V770 Q771 F776 I777 R1108 | V770-E774 HydrophobicContact CG1-CB 3.92Å; Q771-E774 HydrophobicContact CB-CG 3.99Å; Q771-E774 WeakPolarHBondContact CB-OE2 3.5Å; Q771-E774 PolarHBondContact N-OE2 2.74Å; Q771-E774 WeakPolarHBondContact O-CB 3.12Å; Q771-E774 PolarHBondContact O-N 3.1Å; E774-F776 PolarHBondContact O-N 3.21Å; E774-F776 VanDerWaalsContact O-N 3.16Å; E774-I777 HydrophobicContact CB-CD1 4.14Å; E774-I777 HydrophobicContact CG-CD1 3.89Å; E774-I777 WeakPolarHBondContact O-CB 3.17Å; E774-I777 PolarHBondContact O-N 2.67Å; E774-I777 VanDerWaalsContact O-N 3.1Å; E774-R1108 PolarHBondContact O-NH2 2.94Å |
| 775 | I | 62.9 | Low | 73.7 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -41.9 | -177.7 | -64.6 | -177.6 | 0 | 0 | 0 | 111 | C51 F226 M229 L766 V770 | C51-I775 HydrophobicContact CB-CD1 4.06Å; F226-I775 HydrophobicContact CD2-CG2 4.38Å; F226-I775 HydrophobicContact CE2-CD1 4.43Å; M229-I775 HydrophobicContact CE-CB 4.36Å; M229-I775 HydrophobicContact CE-CG1 4.38Å; M229-I775 HydrophobicContact CE-CG2 4.13Å; M229-I775 HydrophobicContact SD-CG2 3.78Å; L766-I775 HydrophobicContact CD2-CD1 4.16Å; V770-I775 HydrophobicContact CB-CG1 4.32Å; V770-I775 HydrophobicContact CG1-CG1 3.65Å |
| 776 | F | 65.2 | Low | 74 | Confident | 29 Ų | 29 | 64.9 Ų | 64.9 | 13% | 0.127 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 26.2 | -179.9 | -61.3 | -79.4 | 0 | 0 | 0 | 113.8 | Y48 C51 T52 R222 F226 E774 | Y48-F776 HydrophobicContact CE2-CZ 4.23Å; C51-F776 HydrophobicContact CB-CD2 4.48Å; C51-F776 HydrophobicContact CB-CE2 4.2Å; C51-F776 WeakPolarHBondContact O-CD2 3.35Å; T52-F776 HydrophobicContact CG2-CD2 4.07Å; T52-F776 HydrophobicContact CG2-CE1 4.41Å; T52-F776 HydrophobicContact CG2-CE2 3.39Å; T52-F776 HydrophobicContact CG2-CZ 3.59Å; R222-F776 HydrophobicContact CB-CE1 4.41Å; F226-F776 HydrophobicContact CB-CZ 4.18Å; E774-F776 PolarHBondContact O-N 3.21Å; E774-F776 VanDerWaalsContact O-N 3.16Å |
| 777 | I | 66.8 | Low | 74.4 | Confident | 90 Ų | 90 | 67.4 Ų | 67.4 | 46% | 0.462 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 149.6 | 168.7 | -88 | 177.4 | 0 | 0 | 0 | 110.9 | E774 L1104 | E774-I777 HydrophobicContact CB-CD1 4.14Å; E774-I777 HydrophobicContact CG-CD1 3.89Å; E774-I777 WeakPolarHBondContact O-CB 3.17Å; E774-I777 PolarHBondContact O-N 2.67Å; E774-I777 VanDerWaalsContact O-N 3.1Å; I777-L1104 VanDerWaalsContact O-CD1 3.27Å; I777-L1104 WeakPolarHBondContact O-CD1 3.42Å |
| 778 | F | 66.1 | Low | 74.8 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 52% | 0.518 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -55 | 135.1 | 176.8 | -126.4 | -102 | 0 | 0 | 0 | 111.3 | I781 I1100 | F778-I781 HydrophobicContact CE1-CD1 4.39Å; F778-I1100 HydrophobicContact CD1-CG2 4.22Å; F778-I1100 HydrophobicContact CE1-CD1 3.97Å; F778-I1100 HydrophobicContact CE1-CG1 4.49Å; F778-I1100 HydrophobicContact CE1-CG2 3.67Å; F778-I1100 HydrophobicContact CE2-CG2 4.15Å; F778-I1100 HydrophobicContact CZ-CD1 3.84Å; F778-I1100 HydrophobicContact CZ-CG2 3.64Å |
| 779 | P | 74.3 | Confident | 75.4 | Confident | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.045 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 156.3 | 177.6 | 28.2 | -33.5 | 0 | 0 | 0 | 110.9 | I781 F788 I1100 L1104 | P779-I781 HydrophobicContact CB-CG2 4.13Å; P779-I781 HydrophobicContact CG-CD1 4.05Å; P779-I781 HydrophobicContact CG-CG1 4.21Å; P779-I781 HydrophobicContact CG-CG2 4.1Å; P779-I781 PolarHBondContact O-N 3.07Å; P779-F788 HydrophobicContact CB-CE1 4.07Å; P779-I1100 HydrophobicContact CG-CG2 4.4Å; P779-L1104 HydrophobicContact CB-CB 4.47Å; P779-L1104 HydrophobicContact CB-CD1 4.22Å; P779-L1104 HydrophobicContact CG-CB 4.11Å |
| 780 | P | 82.7 | Confident | 76.3 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -74.7 | 76.2 | -179.7 | 31.7 | -34 | 0 | 0 | 0 | 110.4 | F788 F789 H1107 | P780-F788 WeakPolarHBondContact O-CA 3.32Å; P780-F789 HydrophobicContact CB-CD2 3.99Å; P780-F789 WeakPolarHBondContact O-CD2 3.36Å; P780-F789 PolarHBondContact O-N 3.01Å; P780-H1107 WeakPolarHBondContact CD-CD2 3.25Å; P780-H1107 WeakPolarHBondContact CD-NE2 3.39Å; P780-H1107 WeakPolarHBondContact CG-NE2 3.36Å |
| 781 | I | 86.7 | Confident | 77.3 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 5% | 0.046 | 35% | 0.354 | C | S | . | . | B | Isolated β-bridge | trans | -123.6 | 151.5 | -176.6 | 64.5 | 172.8 | 0 | 0 | 0 | 112.5 | F778 P779 R783 L786 N787 F788 F789 I1100 | F778-I781 HydrophobicContact CE1-CD1 4.39Å; P779-I781 HydrophobicContact CB-CG2 4.13Å; P779-I781 HydrophobicContact CG-CD1 4.05Å; P779-I781 HydrophobicContact CG-CG1 4.21Å; P779-I781 HydrophobicContact CG-CG2 4.1Å; P779-I781 PolarHBondContact O-N 3.07Å; I781-R783 PolarHBondContact O-N 3.5Å; I781-L786 WeakPolarHBondContact CB-O 3.35Å; I781-L786 HydrophobicContact CD1-CB 4.37Å; I781-L786 HydrophobicContact CD1-CD2 4.07Å; I781-L786 WeakPolarHBondContact CG2-O 3.24Å; I781-N787 CarbonylContact C-O 3.56Å; I781-N787 VanDerWaalsContact CA-O 3.23Å; I781-N787 WeakPolarHBondContact CA-O 3.5Å; I781-N787 WeakPolarHBondContact CB-O 2.99Å; I781-F788 HydrophobicContact CG2-CD1 3.53Å; I781-F788 HydrophobicContact CG2-CE1 3.79Å; I781-F788 HydrophobicContact CG2-CG 4.07Å; I781-F789 VanDerWaalsContact C-CZ 3.42Å; I781-F789 WeakPolarHBondContact O-CE2 3.37Å; I781-F789 WeakPolarHBondContact O-CZ 3.43Å; I781-I1100 HydrophobicContact CD1-CG1 3.83Å; I781-I1100 HydrophobicContact CD1-CG2 4.31Å |
| 782 | S | 87.2 | Confident | 78.5 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 22% | 0.217 | 35% | 0.346 | C | S | . | . | trans | -61 | 129.7 | 167.5 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | L784 T785 L786 N787 | S782-L784 PolarHBondContact O-N 2.91Å; S782-L784 VanDerWaalsContact O-N 3.16Å; S782-L784 PolarHBondContact OG-N 3.03Å; S782-T785 WeakPolarHBondContact CB-OG1 3.5Å; S782-T785 PolarHBondContact OG-N 3.25Å; S782-T785 PolarHBondContact OG-OG1 3.27Å; S782-L786 VanDerWaalsContact O-CA 3.22Å; S782-L786 WeakPolarHBondContact O-CA 3.29Å; S782-L786 PolarHBondContact O-N 3.21Å; S782-N787 PolarHBondContact N-O 3.36Å | ||
| 783 | R | 83.7 | Confident | 79.8 | Confident | 217 Ų | 217 | 66.8 Ų | 66.8 | 82% | 0.819 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.3 | 178.3 | -68.8 | -174.4 | 177.7 | -172.9 | 1.1 | 113.6 | I781 R1096 | I781-R783 PolarHBondContact O-N 3.5Å; R783-R1096 PolarHBondContact O-NH2 3.12Å |
| 784 | L | 83.5 | Confident | 81.2 | Confident | 127 Ų | 127 | 62.8 Ų | 62.8 | 67% | 0.665 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -52.7 | -176.2 | -172.6 | 71.6 | 0 | 0 | 0 | 112.4 | S782 W1000 | S782-L784 PolarHBondContact O-N 2.91Å; S782-L784 VanDerWaalsContact O-N 3.16Å; S782-L784 PolarHBondContact OG-N 3.03Å; L784-W1000 PolarHBondContact O-NE1 3.05Å; L784-W1000 VanDerWaalsContact O-NE1 3.12Å |
| 785 | T | 85.6 | Confident | 82.3 | Confident | 61 Ų | 61 | 65 Ų | 65 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -12.7 | -174.9 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | S782 N787 | S782-T785 WeakPolarHBondContact CB-OG1 3.5Å; S782-T785 PolarHBondContact OG-N 3.25Å; S782-T785 PolarHBondContact OG-OG1 3.27Å; T785-N787 PolarHBondContact O-N 2.91Å |
| 786 | L | 86.1 | Confident | 83.3 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | trans | 59.1 | 0.5 | -172.5 | -48.1 | -175.4 | 0 | 0 | 0 | 115.6 | I781 S782 S999 R1096 D1099 I1100 R1103 | I781-L786 WeakPolarHBondContact CB-O 3.35Å; I781-L786 HydrophobicContact CD1-CB 4.37Å; I781-L786 HydrophobicContact CD1-CD2 4.07Å; I781-L786 WeakPolarHBondContact CG2-O 3.24Å; S782-L786 VanDerWaalsContact O-CA 3.22Å; S782-L786 WeakPolarHBondContact O-CA 3.29Å; S782-L786 PolarHBondContact O-N 3.21Å; L786-S999 VanDerWaalsContact CD1-OG 3.3Å; L786-S999 WeakPolarHBondContact CD1-OG 3.34Å; L786-R1096 HydrophobicContact CD1-CG 4.25Å; L786-R1096 HydrophobicContact CD2-CG 4.4Å; L786-D1099 HydrophobicContact CD1-CB 4.03Å; L786-I1100 HydrophobicContact CD1-CG1 4.22Å; L786-I1100 HydrophobicContact CD2-CD1 3.97Å; L786-I1100 HydrophobicContact CD2-CG1 3.95Å; L786-R1103 WeakPolarHBondContact O-CD 3.25Å; L786-R1103 PolarHBondContact O-NE 3.41Å; L786-R1103 PolarHBondContact O-NH1 3.41Å | ||
| 787 | N | 89.4 | Confident | 84.3 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 29% | 0.289 | 33% | 0.325 | S | S | . | . | trans | -61 | 144.2 | 172.7 | -63 | -19.1 | 0 | 0 | 0 | 110.6 | I781 S782 T785 E794 R798 | I781-N787 CarbonylContact C-O 3.56Å; I781-N787 VanDerWaalsContact CA-O 3.23Å; I781-N787 WeakPolarHBondContact CA-O 3.5Å; I781-N787 WeakPolarHBondContact CB-O 2.99Å; S782-N787 PolarHBondContact N-O 3.36Å; T785-N787 PolarHBondContact O-N 2.91Å; N787-E794 VanDerWaalsContact CA-OE2 3.3Å; N787-E794 WeakPolarHBondContact CA-OE2 3.33Å; N787-E794 HydrophobicContact CB-CG 4.36Å; N787-E794 PolarHBondContact OD1-OE1 2.83Å; N787-R798 PolarHBondContact OD1-NH2 3.44Å | ||
| 788 | F | 89.4 | Confident | 85.2 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 143.7 | 169.8 | -64.4 | -79.8 | 0 | 0 | 0 | 111.6 | P779 P780 I781 V790 V793 E794 Y797 R1103 F1106 H1107 | P779-F788 HydrophobicContact CB-CE1 4.07Å; P780-F788 WeakPolarHBondContact O-CA 3.32Å; I781-F788 HydrophobicContact CG2-CD1 3.53Å; I781-F788 HydrophobicContact CG2-CE1 3.79Å; I781-F788 HydrophobicContact CG2-CG 4.07Å; F788-V790 VanDerWaalsContact C-N 3.25Å; F788-V790 PolarHBondContact O-N 2.96Å; F788-V793 HydrophobicContact CB-CB 4.21Å; F788-V793 HydrophobicContact CB-CG1 4.27Å; F788-V793 HydrophobicContact CD1-CG1 4Å; F788-V793 HydrophobicContact CD2-CB 4.48Å; F788-V793 HydrophobicContact CD2-CG1 3.83Å; F788-V793 HydrophobicContact CE1-CG1 4.27Å; F788-V793 HydrophobicContact CE2-CG1 4.12Å; F788-V793 HydrophobicContact CG-CB 4.26Å; F788-V793 HydrophobicContact CG-CG1 3.77Å; F788-V793 HydrophobicContact CZ-CG1 4.32Å; F788-E794 HydrophobicContact CB-CB 4.28Å; F788-E794 HydrophobicContact CD2-CB 4.44Å; F788-E794 VanDerWaalsContact CD2-OE2 3.27Å; F788-E794 WeakPolarHBondContact CD2-OE2 3.4Å; F788-E794 PolarHBondContact N-OE2 3.44Å; F788-Y797 HydrophobicContact CE2-CD1 4.18Å; F788-Y797 HydrophobicContact CE2-CD2 4.37Å; F788-Y797 AromaticContact CE2-CG 3.9Å; F788-Y797 HydrophobicContact CE2-CG 3.9Å; F788-R1103 HydrophobicContact CE1-CB 4.42Å; F788-R1103 HydrophobicContact CE2-CB 4.4Å; F788-R1103 HydrophobicContact CE2-CG 4.3Å; F788-R1103 HydrophobicContact CZ-CB 3.77Å; F788-R1103 HydrophobicContact CZ-CG 4.16Å; F788-R1103 WeakPolarHBondContact CZ-O 3.42Å; F788-F1106 HydrophobicContact CE2-CD1 4.47Å; F788-H1107 HydrophobicContact CE1-CB 3.82Å; F788-H1107 HydrophobicContact CZ-CB 4.13Å |
| 789 | F | 89.7 | Confident | 85.8 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 61% | 0.61 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -67.2 | -25.8 | 174.9 | -64.7 | -53.8 | 0 | 0 | 0 | 112.9 | P780 I781 P791 | P780-F789 HydrophobicContact CB-CD2 3.99Å; P780-F789 WeakPolarHBondContact O-CD2 3.36Å; P780-F789 PolarHBondContact O-N 3.01Å; I781-F789 VanDerWaalsContact C-CZ 3.42Å; I781-F789 WeakPolarHBondContact O-CE2 3.37Å; I781-F789 WeakPolarHBondContact O-CZ 3.43Å; F789-P791 WeakPolarHBondContact O-CD 3.11Å |
| 790 | V | 88.4 | Confident | 85.8 | Confident | 66 Ų | 66 | 71 Ų | 71 | 40% | 0.4 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -90.5 | 113.5 | 177 | -177.2 | 0 | 0 | 0 | 0 | 109.5 | F788 M792 V793 E794 | F788-V790 VanDerWaalsContact C-N 3.25Å; F788-V790 PolarHBondContact O-N 2.96Å; V790-M792 VanDerWaalsContact C-N 3.29Å; V790-M792 HydrophobicContact CG1-CB 4.3Å; V790-M792 PolarHBondContact O-N 3.2Å; V790-V793 HydrophobicContact CB-CB 4.27Å; V790-V793 HydrophobicContact CB-CG2 3.83Å; V790-V793 HydrophobicContact CG1-CG2 3.85Å; V790-V793 PolarHBondContact O-N 2.79Å; V790-E794 PolarHBondContact O-N 3.48Å |
| 791 | P | 88.4 | Confident | 85 | Confident | 104 Ų | 104 | 68.9 Ų | 68.9 | 68% | 0.675 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.2 | -35.4 | -173.8 | -26.3 | 35.8 | 0 | 0 | 0 | 113.8 | F789 V793 E794 K795 | F789-P791 WeakPolarHBondContact O-CD 3.11Å; P791-V793 VanDerWaalsContact C-N 3.3Å; P791-V793 PolarHBondContact O-N 2.77Å; P791-E794 PolarHBondContact O-N 3.22Å; P791-K795 WeakPolarHBondContact O-CB 3.33Å; P791-K795 PolarHBondContact O-N 2.99Å |
| 792 | M | 87.8 | Confident | 84.2 | Confident | 90 Ų | 90 | 68.9 Ų | 68.9 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 175.7 | -166.5 | -163.4 | -166.7 | 0 | 0 | 112.1 | V790 S796 Y1110 | V790-M792 VanDerWaalsContact C-N 3.29Å; V790-M792 HydrophobicContact CG1-CB 4.3Å; V790-M792 PolarHBondContact O-N 3.2Å; M792-S796 WeakPolarHBondContact O-CB 3.49Å; M792-S796 PolarHBondContact O-N 2.96Å; M792-S796 PolarHBondContact O-OG 2.9Å; M792-S796 VanDerWaalsContact O-OG 3.04Å; M792-Y1110 PolarHBondContact SD-OH 2.89Å |
| 793 | V | 86.5 | Confident | 83 | Confident | 12 Ų | 12 | 72.2 Ų | 72.2 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.9 | -38.8 | 179.9 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | F788 V790 P791 S796 Y797 Y1110 | F788-V793 HydrophobicContact CB-CB 4.21Å; F788-V793 HydrophobicContact CB-CG1 4.27Å; F788-V793 HydrophobicContact CD1-CG1 4Å; F788-V793 HydrophobicContact CD2-CB 4.48Å; F788-V793 HydrophobicContact CD2-CG1 3.83Å; F788-V793 HydrophobicContact CE1-CG1 4.27Å; F788-V793 HydrophobicContact CE2-CG1 4.12Å; F788-V793 HydrophobicContact CG-CB 4.26Å; F788-V793 HydrophobicContact CG-CG1 3.77Å; F788-V793 HydrophobicContact CZ-CG1 4.32Å; V790-V793 HydrophobicContact CB-CB 4.27Å; V790-V793 HydrophobicContact CB-CG2 3.83Å; V790-V793 HydrophobicContact CG1-CG2 3.85Å; V790-V793 PolarHBondContact O-N 2.79Å; P791-V793 VanDerWaalsContact C-N 3.3Å; P791-V793 PolarHBondContact O-N 2.77Å; V793-S796 PolarHBondContact O-N 3.28Å; V793-Y797 WeakPolarHBondContact O-CB 3.35Å; V793-Y797 PolarHBondContact O-N 3Å; V793-Y1110 HydrophobicContact CG2-CD1 4.11Å; V793-Y1110 HydrophobicContact CG2-CE1 3.82Å |
| 794 | E | 89.8 | Confident | 81.7 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.7 | -40.5 | 174.1 | -173.2 | 68.2 | -159.6 | 0 | 0 | 112 | N787 F788 V790 P791 S796 Y797 R798 R1103 | N787-E794 VanDerWaalsContact CA-OE2 3.3Å; N787-E794 WeakPolarHBondContact CA-OE2 3.33Å; N787-E794 HydrophobicContact CB-CG 4.36Å; N787-E794 PolarHBondContact OD1-OE1 2.83Å; F788-E794 HydrophobicContact CB-CB 4.28Å; F788-E794 HydrophobicContact CD2-CB 4.44Å; F788-E794 VanDerWaalsContact CD2-OE2 3.27Å; F788-E794 WeakPolarHBondContact CD2-OE2 3.4Å; F788-E794 PolarHBondContact N-OE2 3.44Å; V790-E794 PolarHBondContact O-N 3.48Å; P791-E794 PolarHBondContact O-N 3.22Å; E794-S796 VanDerWaalsContact C-N 3.33Å; E794-S796 PolarHBondContact O-N 3.09Å; E794-Y797 PolarHBondContact O-N 3.41Å; E794-R798 WeakPolarHBondContact O-CB 3.42Å; E794-R798 VanDerWaalsContact O-CG 3.31Å; E794-R798 WeakPolarHBondContact O-CG 3.37Å; E794-R798 PolarHBondContact O-N 3.18Å; E794-R798 IonicContact OE1-CZ 2.83Å; E794-R798 VanDerWaalsContact OE1-CZ 3.23Å; E794-R798 IonicContact OE1-NE 3.87Å; E794-R798 PolarHBondContact OE1-NE 3.21Å; E794-R798 IonicContact OE1-NH2 2.75Å; E794-R798 PolarHBondContact OE1-NH2 3.3Å; E794-R1103 IonicContact OE1-NH1 2.82Å; E794-R1103 IonicContact OE1-NH2 3.6Å; E794-R1103 IonicContact OE2-CZ 3.85Å; E794-R1103 IonicContact OE2-NH1 3.78Å; E794-R1103 PolarHBondContact OE2-NH1 2.96Å; E794-R1103 IonicContact OE2-NH2 3.73Å |
| 795 | K | 87.4 | Confident | 80.1 | Confident | 130 Ų | 130 | 62.4 Ų | 62.4 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.5 | -45 | 172.9 | -170 | 175.3 | -177.9 | 179.6 | 0 | 110.3 | P791 R799 | P791-K795 WeakPolarHBondContact O-CB 3.33Å; P791-K795 PolarHBondContact O-N 2.99Å; K795-R799 WeakPolarHBondContact O-CB 3.13Å; K795-R799 WeakPolarHBondContact O-CG 3.49Å; K795-R799 PolarHBondContact O-N 3.03Å; K795-R799 VanDerWaalsContact O-N 3.14Å |
| 796 | S | 85.6 | Confident | 78.2 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -45 | 174.8 | -68.8 | 0 | 0 | 0 | 0 | 112.9 | M792 V793 E794 R798 R799 L800 Y1110 | M792-S796 WeakPolarHBondContact O-CB 3.49Å; M792-S796 PolarHBondContact O-N 2.96Å; M792-S796 PolarHBondContact O-OG 2.9Å; M792-S796 VanDerWaalsContact O-OG 3.04Å; V793-S796 PolarHBondContact O-N 3.28Å; E794-S796 VanDerWaalsContact C-N 3.33Å; E794-S796 PolarHBondContact O-N 3.09Å; S796-R798 VanDerWaalsContact C-N 3.34Å; S796-R798 PolarHBondContact O-N 3.07Å; S796-R799 PolarHBondContact O-N 3.46Å; S796-L800 WeakPolarHBondContact O-CB 3.5Å; S796-L800 PolarHBondContact O-N 3.35Å; S796-Y1110 WeakPolarHBondContact OG-CE2 3.41Å |
| 797 | Y | 85.7 | Confident | 76.1 | Confident | 7 Ų | 7 | 69.7 Ų | 69.7 | 3% | 0.027 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 176.3 | 177.2 | -118.3 | 0 | 0 | 0 | 112.3 | F788 V793 E794 R799 G801 W920 F1102 R1103 F1106 | F788-Y797 HydrophobicContact CE2-CD1 4.18Å; F788-Y797 HydrophobicContact CE2-CD2 4.37Å; F788-Y797 AromaticContact CE2-CG 3.9Å; F788-Y797 HydrophobicContact CE2-CG 3.9Å; V793-Y797 WeakPolarHBondContact O-CB 3.35Å; V793-Y797 PolarHBondContact O-N 3Å; E794-Y797 PolarHBondContact O-N 3.41Å; Y797-R799 VanDerWaalsContact C-N 3.35Å; Y797-R799 PolarHBondContact O-N 3.17Å; Y797-G801 WeakPolarHBondContact O-CA 3.22Å; Y797-G801 PolarHBondContact O-N 3.24Å; Y797-W920 HydrophobicContact CD1-CH2 4.45Å; Y797-W920 HydrophobicContact CD1-CZ3 4.11Å; Y797-W920 HydrophobicContact CE1-CE3 4.29Å; Y797-W920 AromaticContact CE1-CH2 3.55Å; Y797-W920 HydrophobicContact CE1-CH2 3.55Å; Y797-W920 AromaticContact CE1-CZ3 3.38Å; Y797-W920 HydrophobicContact CE1-CZ3 3.38Å; Y797-W920 AromaticContact CZ-CZ3 3.79Å; Y797-F1102 HydrophobicContact CE2-CD1 4.07Å; Y797-F1102 AromaticContact CE2-CE1 3.83Å; Y797-F1102 HydrophobicContact CE2-CE1 3.83Å; Y797-F1102 WeakPolarHBondContact OH-CD1 3.35Å; Y797-R1103 HydrophobicContact CE1-CG 4.02Å; Y797-R1103 HydrophobicContact CE2-CG 4.15Å; Y797-F1106 VanDerWaalsContact CA-CE1 3.48Å; Y797-F1106 HydrophobicContact CD2-CB 4.11Å; Y797-F1106 AromaticContact CD2-CD1 3.64Å; Y797-F1106 HydrophobicContact CD2-CD1 3.64Å; Y797-F1106 HydrophobicContact CD2-CD2 4.14Å; Y797-F1106 HydrophobicContact CD2-CE1 4.13Å; Y797-F1106 AromaticContact CD2-CG 3.66Å; Y797-F1106 HydrophobicContact CD2-CG 3.66Å; Y797-F1106 HydrophobicContact CE2-CB 4.35Å; Y797-F1106 HydrophobicContact CE2-CG 4.35Å; Y797-F1106 HydrophobicContact CG-CD1 4.2Å; Y797-F1106 HydrophobicContact CG-CE1 4.38Å |
| 798 | R | 85.5 | Confident | 73.8 | Confident | 91 Ų | 91 | 73.5 Ų | 73.5 | 34% | 0.343 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.8 | -28.5 | 177.8 | -68.7 | 179.8 | -174.8 | -145.8 | -2.2 | 113.6 | N787 E794 S796 W920 | N787-R798 PolarHBondContact OD1-NH2 3.44Å; E794-R798 WeakPolarHBondContact O-CB 3.42Å; E794-R798 VanDerWaalsContact O-CG 3.31Å; E794-R798 WeakPolarHBondContact O-CG 3.37Å; E794-R798 PolarHBondContact O-N 3.18Å; E794-R798 IonicContact OE1-CZ 2.83Å; E794-R798 VanDerWaalsContact OE1-CZ 3.23Å; E794-R798 IonicContact OE1-NE 3.87Å; E794-R798 PolarHBondContact OE1-NE 3.21Å; E794-R798 IonicContact OE1-NH2 2.75Å; E794-R798 PolarHBondContact OE1-NH2 3.3Å; S796-R798 VanDerWaalsContact C-N 3.34Å; S796-R798 PolarHBondContact O-N 3.07Å; R798-W920 HydrophobicContact CB-CB 3.95Å; R798-W920 HydrophobicContact CB-CG 4.16Å; R798-W920 HydrophobicContact CG-CB 4.11Å; R798-W920 HydrophobicContact CG-CD2 3.88Å; R798-W920 HydrophobicContact CG-CE3 4.26Å; R798-W920 HydrophobicContact CG-CG 3.75Å |
| 799 | R | 78.8 | Confident | 71.4 | Confident | 170 Ų | 170 | 76.3 Ų | 76.3 | 64% | 0.642 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -84.1 | -39.2 | 176 | -73.6 | 179.1 | 172.3 | -162.1 | -4.1 | 113.2 | K795 S796 Y797 | K795-R799 WeakPolarHBondContact O-CB 3.13Å; K795-R799 WeakPolarHBondContact O-CG 3.49Å; K795-R799 PolarHBondContact O-N 3.03Å; K795-R799 VanDerWaalsContact O-N 3.14Å; S796-R799 PolarHBondContact O-N 3.46Å; Y797-R799 VanDerWaalsContact C-N 3.35Å; Y797-R799 PolarHBondContact O-N 3.17Å |
| 800 | L | 73.3 | Confident | 69.5 | Low | 83 Ų | 83 | 71.8 Ų | 71.8 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -121 | -10.3 | -164.7 | -60.5 | 175.4 | 0 | 0 | 0 | 115.5 | S796 L802 R803 F1106 | S796-L800 WeakPolarHBondContact O-CB 3.5Å; S796-L800 PolarHBondContact O-N 3.35Å; L800-L802 PolarHBondContact O-N 3.33Å; L800-R803 WeakPolarHBondContact CD2-O 3.19Å; L800-R803 PolarHBondContact O-N 3.43Å; L800-F1106 HydrophobicContact CB-CE2 4.16Å; L800-F1106 HydrophobicContact CB-CZ 4.4Å |
| 801 | G | 67 | Low | 67.6 | Low | 6 Ų | 6 | 72.5 Ų | 72.5 | 6% | 0.062 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -32.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y797 P818 F1102 | Y797-G801 WeakPolarHBondContact O-CA 3.22Å; Y797-G801 PolarHBondContact O-N 3.24Å; G801-P818 VanDerWaalsContact O-CB 3.31Å; G801-P818 WeakPolarHBondContact O-CB 3.13Å; G801-F1102 WeakPolarHBondContact O-CZ 3.43Å |
| 802 | L | 69.3 | Low | 66 | Low | 8 Ų | 8 | 71.8 Ų | 71.8 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 14.5 | 171.4 | -62 | 177.7 | 0 | 0 | 0 | 113.1 | L800 P818 R819 P822 Y914 F918 R923 F1102 | L800-L802 PolarHBondContact O-N 3.33Å; L802-P818 HydrophobicContact CD2-CB 4.24Å; L802-P818 WeakPolarHBondContact CD2-O 3.31Å; L802-R819 VanDerWaalsContact O-CG 3.3Å; L802-R819 WeakPolarHBondContact O-CG 3.28Å; L802-P822 HydrophobicContact CD1-CG 4.25Å; L802-P822 HydrophobicContact CD2-CG 4.43Å; L802-Y914 PolarHBondContact O-OH 3.39Å; L802-F918 HydrophobicContact CD1-CD1 4.15Å; L802-R923 VanDerWaalsContact CD1-NE 3.34Å; L802-F1102 HydrophobicContact CD2-CE1 4.28Å; L802-F1102 HydrophobicContact CD2-CZ 3.73Å |
| 803 | R | 61.5 | Low | 65 | Low | 102 Ų | 102 | 68.4 Ų | 68.4 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -138.7 | 102.4 | -163.2 | -159.9 | 176.9 | -173.2 | -149.9 | -1.6 | 112.4 | L800 | L800-R803 WeakPolarHBondContact CD2-O 3.19Å; L800-R803 PolarHBondContact O-N 3.43Å |
| 804 | R | 56.1 | Low | 64.3 | Low | 76 Ų | 76 | 68.4 Ų | 68.4 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | trans | 42.1 | 112.4 | 167.6 | -75.2 | -169.4 | 177.8 | -153.6 | -1.8 | 117.3 | M807 | R804-M807 PolarHBondContact NH1-SD 2.86Å; R804-M807 VanDerWaalsContact NH1-SD 3.44Å | ||
| 805 | P | 49.8 | Very low | 63.7 | Low | 61 Ų | 61 | 70 Ų | 70 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | trans | -54.8 | 147.9 | 143.3 | -20.1 | 34.1 | 0 | 0 | 0 | 110.6 | I810 | P805-I810 HydrophobicContact CB-CD1 4.29Å; P805-I810 HydrophobicContact CG-CD1 3.97Å | ||
| 806 | R | 47 | Very low | 63 | Low | 135 Ų | 135 | 64 Ų | 64 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | trans | -56.5 | 143.7 | 172.4 | -81.2 | 177.1 | 159.9 | 158.6 | -7.7 | 109.8 | D278 H808 E1117 | D278-R806 IonicContact OD1-NH2 2.6Å; D278-R806 PolarHBondContact OD1-NH2 2.94Å; D278-R806 IonicContact OD2-CZ 3.4Å; D278-R806 IonicContact OD2-NH2 2.62Å; D278-R806 PolarHBondContact OD2-NH2 2.98Å; R806-H808 PolarHBondContact O-N 3.4Å; R806-E1117 IonicContact NH1-OE1 2.76Å; R806-E1117 PolarHBondContact NH1-OE1 2.82Å | ||
| 807 | M | 41.2 | Very low | 62.6 | Low | 81 Ų | 81 | 63.7 Ų | 63.7 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 1.1 | -158 | -79.9 | -175.4 | 65.1 | 0 | 0 | 117.5 | R804 R886 | R804-M807 PolarHBondContact NH1-SD 2.86Å; R804-M807 VanDerWaalsContact NH1-SD 3.44Å; M807-R886 HydrophobicContact CE-CG 4.29Å |
| 808 | H | 40.8 | Very low | 62.1 | Low | 134 Ų | 134 | 64.4 Ų | 64.4 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 7.8 | -167 | -66.4 | -43.8 | 0 | 0 | 0 | 116.5 | R806 | R806-H808 PolarHBondContact O-N 3.4Š|
| 809 | S | 40.7 | Very low | 61.6 | Low | 70 Ų | 70 | 60.8 Ų | 60.8 | 49% | 0.49 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -127.8 | -6.6 | -174.3 | 56.9 | 0 | 0 | 0 | 0 | 116.8 | ||
| 810 | I | 48.3 | Very low | 61.7 | Low | 45 Ų | 45 | 52.9 Ų | 52.9 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | trans | -118.1 | 103.1 | -171.4 | -56.1 | -174.3 | 0 | 0 | 0 | 111.7 | P805 K812 R886 | P805-I810 HydrophobicContact CB-CD1 4.29Å; P805-I810 HydrophobicContact CG-CD1 3.97Å; I810-K812 WeakPolarHBondContact CG2-O 3.36Å; I810-R886 PolarHBondContact O-NH2 2.98Å | ||
| 811 | E | 48.6 | Very low | 62 | Low | 80 Ų | 80 | 49 Ų | 49 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -87.7 | -21.9 | 167.7 | -70.9 | -92.4 | 97.1 | 0 | 0 | 112.6 | H19 R886 | H19-E811 IonicContact CE1-OE1 3.69Å; H19-E811 IonicContact CE1-OE2 3.61Å; H19-E811 PolarHBondContact CE1-OE2 2.9Å; H19-E811 IonicContact CG-OE1 3.76Å; H19-E811 IonicContact ND1-OE1 2.81Å; H19-E811 PolarHBondContact ND1-OE1 3.04Å; H19-E811 IonicContact ND1-OE2 3.23Å; H19-E811 PolarHBondContact ND1-OE2 3.03Å; E811-R886 IonicContact OE1-CZ 3.34Å; E811-R886 IonicContact OE1-NH1 3.09Å; E811-R886 PolarHBondContact OE1-NH1 2.86Å; E811-R886 IonicContact OE1-NH2 3.65Å; E811-R886 PolarHBondContact OE1-NH2 3.5Å |
| 812 | K | 55.6 | Low | 62.7 | Low | 89 Ų | 89 | 48.8 Ų | 48.8 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -127.9 | 126.7 | -166 | -57.6 | 171.8 | -161.6 | 158.2 | 0 | 110.4 | Y25 E28 I810 S814 | Y25-K812 HydrophobicContact CD2-CB 4.04Å; Y25-K812 HydrophobicContact CE2-CB 4.12Å; Y25-K812 HydrophobicContact CE2-CD 4.17Å; Y25-K812 HydrophobicContact CE2-CG 4.12Å; E28-K812 WeakPolarHBondContact OE1-CD 3.32Å; E28-K812 IonicContact OE1-NZ 2.87Å; E28-K812 PolarHBondContact OE1-NZ 3.04Å; I810-K812 WeakPolarHBondContact CG2-O 3.36Å; K812-S814 PolarHBondContact O-N 3.25Å |
| 813 | L | 65.4 | Low | 63.5 | Low | 19 Ų | 19 | 50.7 Ų | 50.7 | 10% | 0.099 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.8 | 177.2 | -172.8 | 55.5 | 0 | 0 | 0 | 110 | I21 L24 Y25 I820 W881 | I21-L813 HydrophobicContact CG2-CB 4.15Å; L24-L813 HydrophobicContact CD1-CB 4.13Å; L24-L813 HydrophobicContact CD1-CD2 3.75Å; L24-L813 HydrophobicContact CD1-CG 3.63Å; Y25-L813 PolarHBondContact N-O 2.75Å; L813-I820 HydrophobicContact CD1-CD1 3.45Å; L813-I820 VanDerWaalsContact CD1-CD1 3.45Å; L813-I820 HydrophobicContact CD1-CG1 4.47Å; L813-I820 HydrophobicContact CD2-CD1 4.03Å; L813-I820 HydrophobicContact CG-CD1 3.59Å; L813-W881 HydrophobicContact CD1-CH2 3.74Å; L813-W881 HydrophobicContact CD1-CZ3 3.61Å; L813-W881 HydrophobicContact CD2-CZ3 4.13Å; L813-W881 HydrophobicContact CG-CZ3 4.33Å |
| 814 | S | 73.2 | Confident | 64.5 | Low | 12 Ų | 12 | 47 Ų | 47 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.2 | -175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | Y25 L26 F27 K812 S816 T817 I820 | Y25-S814 CarbonylContact O-C 3.51Å; Y25-S814 WeakPolarHBondContact O-CA 3.4Å; L26-S814 PolarHBondContact O-OG 3.4Å; F27-S814 WeakPolarHBondContact CA-OG 3.28Å; K812-S814 PolarHBondContact O-N 3.25Å; S814-S816 PolarHBondContact O-N 2.81Å; S814-S816 VanDerWaalsContact O-N 3.16Å; S814-S816 WeakPolarHBondContact OG-CB 3.5Å; S814-S816 PolarHBondContact OG-N 2.89Å; S814-S816 PolarHBondContact OG-OG 2.95Å; S814-T817 WeakPolarHBondContact O-CB 3.4Å; S814-T817 PolarHBondContact O-N 3.12Å; S814-T817 PolarHBondContact O-OG1 2.92Å; S814-I820 WeakPolarHBondContact O-CD1 3.32Å |
| 815 | W | 77.1 | Confident | 65.8 | Low | 49 Ų | 49 | 43.4 Ų | 43.4 | 19% | 0.186 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.6 | 169.2 | -70.8 | 25.5 | 0 | 0 | 0 | 112.2 | Y25 L26 L216 M217 V220 T817 I820 I824 | Y25-W815 PolarHBondContact O-N 3.45Å; L26-W815 HydrophobicContact CD2-CD2 3.75Å; L26-W815 HydrophobicContact CD2-CE3 3.73Å; L26-W815 HydrophobicContact CD2-CG 4.33Å; L26-W815 HydrophobicContact CD2-CH2 4.25Å; L26-W815 HydrophobicContact CD2-CZ2 4.22Å; L26-W815 HydrophobicContact CD2-CZ3 4Å; L26-W815 VanDerWaalsContact O-CB 3.31Å; L26-W815 WeakPolarHBondContact O-CB 3.28Å; L26-W815 PolarHBondContact O-N 3.09Å; L26-W815 VanDerWaalsContact O-N 3.15Å; L216-W815 HydrophobicContact CD1-CZ3 4.32Å; M217-W815 HydrophobicContact CE-CD2 4.36Å; M217-W815 HydrophobicContact CE-CE3 3.49Å; M217-W815 VanDerWaalsContact CE-CE3 3.49Å; M217-W815 HydrophobicContact CE-CZ3 4.02Å; V220-W815 HydrophobicContact CG1-CB 4Å; W815-T817 PolarHBondContact O-N 2.92Å; W815-I820 HydrophobicContact CB-CG2 4.48Å; W815-I820 HydrophobicContact CG-CG2 4.48Å; W815-I824 HydrophobicContact CD2-CD1 3.53Å; W815-I824 HydrophobicContact CE3-CD1 3.62Å; W815-I824 HydrophobicContact CG-CD1 4Å; W815-I824 HydrophobicContact CH2-CD1 4.2Å; W815-I824 HydrophobicContact CZ2-CD1 4.16Å; W815-I824 HydrophobicContact CZ3-CD1 3.96Å |
| 816 | S | 73.1 | Confident | 67.5 | Low | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -4.9 | 170.6 | 70.9 | 0 | 0 | 0 | 0 | 114.7 | V220 S224 S814 P818 | V220-S816 VanDerWaalsContact CG1-N 3.32Å; S224-S816 WeakPolarHBondContact CB-OG 3.26Å; S224-S816 VanDerWaalsContact OG-CB 3.29Å; S224-S816 WeakPolarHBondContact OG-CB 3.19Å; S224-S816 PolarHBondContact OG-OG 2.96Å; S814-S816 PolarHBondContact O-N 2.81Å; S814-S816 VanDerWaalsContact O-N 3.16Å; S814-S816 WeakPolarHBondContact OG-CB 3.5Å; S814-S816 PolarHBondContact OG-N 2.89Å; S814-S816 PolarHBondContact OG-OG 2.95Å; S816-P818 WeakPolarHBondContact O-CD 3.35Å |
| 817 | T | 77 | Confident | 69.3 | Low | 13 Ų | 13 | 37.2 Ų | 37.2 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -69.2 | 123.3 | 175.9 | -50.8 | 0 | 0 | 0 | 0 | 109.9 | S814 W815 R819 I820 | S814-T817 WeakPolarHBondContact O-CB 3.4Å; S814-T817 PolarHBondContact O-N 3.12Å; S814-T817 PolarHBondContact O-OG1 2.92Å; W815-T817 PolarHBondContact O-N 2.92Å; T817-R819 HydrophobicContact CG2-CB 4.4Å; T817-R819 PolarHBondContact O-N 2.7Å; T817-I820 PolarHBondContact O-N 3.46Å |
| 818 | P | 74.4 | Confident | 71.3 | Confident | 23 Ų | 23 | 33.8 Ų | 33.8 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.4 | -175.6 | -29.1 | 36.5 | 0 | 0 | 0 | 115.8 | G801 L802 S816 P822 | G801-P818 VanDerWaalsContact O-CB 3.31Å; G801-P818 WeakPolarHBondContact O-CB 3.13Å; L802-P818 HydrophobicContact CD2-CB 4.24Å; L802-P818 WeakPolarHBondContact CD2-O 3.31Å; S816-P818 WeakPolarHBondContact O-CD 3.35Å; P818-P822 WeakPolarHBondContact O-CD 3.13Å |
| 819 | R | 76 | Confident | 73.2 | Confident | 14 Ų | 14 | 27.8 Ų | 27.8 | 5% | 0.053 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24.1 | 172.8 | -79.3 | -173 | 158.4 | -149.1 | -23.2 | 114.7 | L802 T817 D877 Y914 | L802-R819 VanDerWaalsContact O-CG 3.3Å; L802-R819 WeakPolarHBondContact O-CG 3.28Å; T817-R819 HydrophobicContact CG2-CB 4.4Å; T817-R819 PolarHBondContact O-N 2.7Å; R819-D877 VanDerWaalsContact CZ-CG 3.47Å; R819-D877 IonicContact CZ-OD1 2.78Å; R819-D877 IonicContact CZ-OD2 3.8Å; R819-D877 IonicContact NE-OD2 3.59Å; R819-D877 IonicContact NH1-OD1 3.73Å; R819-D877 PolarHBondContact NH1-OD1 2.91Å; R819-D877 IonicContact NH1-OD2 2.93Å; R819-D877 PolarHBondContact NH1-OD2 3.01Å; R819-D877 IonicContact NH2-OD1 3.23Å; R819-D877 PolarHBondContact NH2-OD1 3.39Å; R819-D877 IonicContact NH2-OD2 3.9Å; R819-D877 PolarHBondContact NH2-OD2 3.21Å; R819-Y914 VanDerWaalsContact NH2-CE1 3.27Å |
| 820 | I | 80.5 | Confident | 75.3 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -82 | -30.6 | -178.5 | -79.2 | 171.6 | 0 | 0 | 0 | 112.1 | L24 L813 S814 W815 T817 F823 I824 L878 | L24-I820 HydrophobicContact CD1-CD1 4.08Å; L813-I820 HydrophobicContact CD1-CD1 3.45Å; L813-I820 VanDerWaalsContact CD1-CD1 3.45Å; L813-I820 HydrophobicContact CD1-CG1 4.47Å; L813-I820 HydrophobicContact CD2-CD1 4.03Å; L813-I820 HydrophobicContact CG-CD1 3.59Å; S814-I820 WeakPolarHBondContact O-CD1 3.32Å; W815-I820 HydrophobicContact CB-CG2 4.48Å; W815-I820 HydrophobicContact CG-CG2 4.48Å; T817-I820 PolarHBondContact O-N 3.46Å; I820-F823 WeakPolarHBondContact O-CB 3.29Å; I820-F823 PolarHBondContact O-N 2.84Å; I820-I824 HydrophobicContact CG2-CD1 3.42Å; I820-I824 VanDerWaalsContact CG2-CD1 3.42Å; I820-I824 HydrophobicContact CG2-CG1 3.86Å; I820-I824 PolarHBondContact O-N 3.16Å; I820-L878 HydrophobicContact CG1-CD1 4.21Å |
| 821 | A | 79.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57 | -48.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M217 W221 F823 I824 N825 | M217-A821 HydrophobicContact SD-CB 4.36Å; W221-A821 HydrophobicContact CH2-CB 4.39Å; W221-A821 HydrophobicContact CZ2-CB 3.75Å; A821-F823 VanDerWaalsContact C-N 3.28Å; A821-F823 PolarHBondContact O-N 3.42Å; A821-I824 PolarHBondContact O-N 2.97Å; A821-N825 VanDerWaalsContact O-CB 3.27Å; A821-N825 WeakPolarHBondContact O-CB 3.18Å; A821-N825 PolarHBondContact O-N 3.23Å; A821-N825 PolarHBondContact O-ND2 2.87Å; A821-N825 VanDerWaalsContact O-ND2 3.11Å; A821-N825 PolarHBondContact O-OD1 3.34Å |
| 822 | P | 82.3 | Confident | 78.7 | Confident | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.1 | -39.7 | 171.4 | -26.3 | 33.9 | 0 | 0 | 0 | 114.4 | L802 P818 T826 L874 F918 S996 | L802-P822 HydrophobicContact CD1-CG 4.25Å; L802-P822 HydrophobicContact CD2-CG 4.43Å; P818-P822 WeakPolarHBondContact O-CD 3.13Å; P822-T826 WeakPolarHBondContact O-CB 3.29Å; P822-T826 PolarHBondContact O-N 2.81Å; P822-T826 PolarHBondContact O-OG1 3.12Å; P822-L874 HydrophobicContact CB-CD1 4.48Å; P822-L874 HydrophobicContact CB-CD2 4.17Å; P822-F918 HydrophobicContact CB-CE1 3.99Å; P822-F918 HydrophobicContact CB-CZ 4.43Å; P822-F918 HydrophobicContact CG-CE1 4.09Å; P822-S996 WeakPolarHBondContact CA-OG 3.48Å |
| 823 | F | 84.9 | Confident | 79.9 | Confident | 49 Ų | 49 | 19.6 Ų | 19.6 | 22% | 0.215 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.4 | -45.8 | -179.7 | 171 | -110.2 | 0 | 0 | 0 | 112.7 | I820 A821 T826 I827 L871 L874 I875 | I820-F823 WeakPolarHBondContact O-CB 3.29Å; I820-F823 PolarHBondContact O-N 2.84Å; A821-F823 VanDerWaalsContact C-N 3.28Å; A821-F823 PolarHBondContact O-N 3.42Å; F823-T826 PolarHBondContact O-N 3.26Å; F823-I827 HydrophobicContact CD1-CD1 4.27Å; F823-I827 HydrophobicContact CD2-CD1 4.13Å; F823-I827 HydrophobicContact CE1-CD1 3.77Å; F823-I827 HydrophobicContact CE2-CD1 3.6Å; F823-I827 HydrophobicContact CE2-CG1 4.35Å; F823-I827 HydrophobicContact CG-CD1 4.44Å; F823-I827 HydrophobicContact CZ-CD1 3.42Å; F823-I827 VanDerWaalsContact CZ-CD1 3.42Å; F823-I827 WeakPolarHBondContact O-CG1 3.28Å; F823-I827 PolarHBondContact O-N 3.1Å; F823-L871 HydrophobicContact CD2-CD1 4Å; F823-L871 HydrophobicContact CE2-CD1 3.89Å; F823-L874 HydrophobicContact CD2-CB 4.28Å; F823-I875 HydrophobicContact CD2-CG1 4.36Å; F823-I875 HydrophobicContact CE2-CD1 4.38Å; F823-I875 HydrophobicContact CE2-CG1 3.63Å; F823-I875 HydrophobicContact CZ-CG1 4.5Å |
| 824 | I | 83.7 | Confident | 80.9 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 12% | 0.118 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.9 | -38.8 | 176.9 | -64 | 175.4 | 0 | 0 | 0 | 110.8 | M217 W815 I820 A821 I827 T828 | M217-I824 HydrophobicContact CE-CD1 3.64Å; M217-I824 HydrophobicContact CE-CG2 4.24Å; W815-I824 HydrophobicContact CD2-CD1 3.53Å; W815-I824 HydrophobicContact CE3-CD1 3.62Å; W815-I824 HydrophobicContact CG-CD1 4Å; W815-I824 HydrophobicContact CH2-CD1 4.2Å; W815-I824 HydrophobicContact CZ2-CD1 4.16Å; W815-I824 HydrophobicContact CZ3-CD1 3.96Å; I820-I824 HydrophobicContact CG2-CD1 3.42Å; I820-I824 VanDerWaalsContact CG2-CD1 3.42Å; I820-I824 HydrophobicContact CG2-CG1 3.86Å; I820-I824 PolarHBondContact O-N 3.16Å; A821-I824 PolarHBondContact O-N 2.97Å; I824-I827 PolarHBondContact O-N 3.2Å; I824-T828 PolarHBondContact O-N 2.77Å; I824-T828 PolarHBondContact O-OG1 2.8Å |
| 825 | N | 83 | Confident | 81.4 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.9 | -53.2 | 174.8 | -66.6 | -15.8 | 0 | 0 | 0 | 110.9 | A821 I827 T828 E829 Y994 T995 S996 | A821-N825 VanDerWaalsContact O-CB 3.27Å; A821-N825 WeakPolarHBondContact O-CB 3.18Å; A821-N825 PolarHBondContact O-N 3.23Å; A821-N825 PolarHBondContact O-ND2 2.87Å; A821-N825 VanDerWaalsContact O-ND2 3.11Å; A821-N825 PolarHBondContact O-OD1 3.34Å; N825-I827 PolarHBondContact O-N 3.01Å; N825-T828 CarbonylContact O-C 3.58Å; N825-T828 WeakPolarHBondContact O-CA 3.29Å; N825-T828 VanDerWaalsContact O-CB 3.31Å; N825-T828 WeakPolarHBondContact O-CB 3.29Å; N825-T828 PolarHBondContact O-N 3.11Å; N825-E829 WeakPolarHBondContact O-CG 3.28Å; N825-E829 PolarHBondContact O-N 3.12Å; N825-Y994 HydrophobicContact CB-CD1 3.55Å; N825-Y994 HydrophobicContact CB-CE1 4.27Å; N825-Y994 HydrophobicContact CB-CG 3.73Å; N825-Y994 VanDerWaalsContact CG-CD1 3.43Å; N825-Y994 VanDerWaalsContact OD1-CD1 3.32Å; N825-Y994 WeakPolarHBondContact OD1-CD1 3.47Å; N825-T995 PolarHBondContact ND2-N 2.74Å; N825-S996 PolarHBondContact ND2-OG 2.94Å |
| 826 | T | 84.1 | Confident | 81.4 | Confident | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.043 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.8 | -29.1 | -179.4 | -64.3 | 0 | 0 | 0 | 0 | 114.3 | P822 F823 T828 E829 T830 L870 L871 L874 | P822-T826 WeakPolarHBondContact O-CB 3.29Å; P822-T826 PolarHBondContact O-N 2.81Å; P822-T826 PolarHBondContact O-OG1 3.12Å; F823-T826 PolarHBondContact O-N 3.26Å; T826-T828 VanDerWaalsContact C-N 3.34Å; T826-E829 WeakPolarHBondContact CA-OE2 3.46Å; T826-E829 PolarHBondContact OG1-OE2 3.2Å; T826-E829 VanDerWaalsContact OG1-OE2 3.04Å; T826-T830 WeakPolarHBondContact O-CB 3.4Å; T826-T830 PolarHBondContact O-N 3.44Å; T826-T830 PolarHBondContact O-OG1 3.31Å; T826-L870 HydrophobicContact CG2-CB 4.43Å; T826-L870 HydrophobicContact CG2-CD2 3.83Å; T826-L870 HydrophobicContact CG2-CG 4.01Å; T826-L871 HydrophobicContact CG2-CB 4.29Å; T826-L874 HydrophobicContact CG2-CD1 4.38Å |
| 827 | I | 86.4 | Confident | 81.7 | Confident | 58 Ų | 58 | 23.8 Ų | 23.8 | 30% | 0.297 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 167.1 | -75.3 | 172.2 | 0 | 0 | 0 | 110.6 | F823 I824 N825 T830 I831 L871 | F823-I827 HydrophobicContact CD1-CD1 4.27Å; F823-I827 HydrophobicContact CD2-CD1 4.13Å; F823-I827 HydrophobicContact CE1-CD1 3.77Å; F823-I827 HydrophobicContact CE2-CD1 3.6Å; F823-I827 HydrophobicContact CE2-CG1 4.35Å; F823-I827 HydrophobicContact CG-CD1 4.44Å; F823-I827 HydrophobicContact CZ-CD1 3.42Å; F823-I827 VanDerWaalsContact CZ-CD1 3.42Å; F823-I827 WeakPolarHBondContact O-CG1 3.28Å; F823-I827 PolarHBondContact O-N 3.1Å; I824-I827 PolarHBondContact O-N 3.2Å; N825-I827 PolarHBondContact O-N 3.01Å; I827-T830 PolarHBondContact O-N 3.06Å; I827-I831 HydrophobicContact CG2-CD1 3.82Å; I827-I831 WeakPolarHBondContact O-CG1 3.32Å; I827-I831 PolarHBondContact O-N 3.15Å; I827-L871 HydrophobicContact CD1-CD1 4.39Å; I827-L871 HydrophobicContact CG1-CD1 3.74Å |
| 828 | T | 83 | Confident | 81.9 | Confident | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.055 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 178.7 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | L209 N213 I824 N825 T826 I831 L832 Y994 | L209-T828 HydrophobicContact CD1-CG2 4.47Å; L209-T828 HydrophobicContact CD2-CG2 4.06Å; L209-T828 HydrophobicContact CG-CG2 3.84Å; N213-T828 PolarHBondContact ND2-OG1 3.3Å; I824-T828 PolarHBondContact O-N 2.77Å; I824-T828 PolarHBondContact O-OG1 2.8Å; N825-T828 CarbonylContact O-C 3.58Å; N825-T828 WeakPolarHBondContact O-CA 3.29Å; N825-T828 VanDerWaalsContact O-CB 3.31Å; N825-T828 WeakPolarHBondContact O-CB 3.29Å; N825-T828 PolarHBondContact O-N 3.11Å; T826-T828 VanDerWaalsContact C-N 3.34Å; T828-I831 PolarHBondContact O-N 2.92Å; T828-L832 HydrophobicContact CG2-CD1 4.22Å; T828-L832 VanDerWaalsContact O-CG 3.3Å; T828-L832 WeakPolarHBondContact O-CG 3.43Å; T828-L832 PolarHBondContact O-N 2.66Å; T828-Y994 WeakPolarHBondContact CB-OH 3.4Å; T828-Y994 HydrophobicContact CG2-CE1 4.24Å; T828-Y994 WeakPolarHBondContact CG2-OH 3.41Å |
| 829 | E | 81.1 | Confident | 82.2 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.9 | -48.2 | 172.7 | -68.6 | 169.9 | 140.1 | 0 | 0 | 111.7 | N825 T826 I831 L832 I833 Y994 | N825-E829 WeakPolarHBondContact O-CG 3.28Å; N825-E829 PolarHBondContact O-N 3.12Å; T826-E829 WeakPolarHBondContact CA-OE2 3.46Å; T826-E829 PolarHBondContact OG1-OE2 3.2Å; T826-E829 VanDerWaalsContact OG1-OE2 3.04Å; E829-I831 PolarHBondContact O-N 3.35Å; E829-L832 PolarHBondContact O-N 2.92Å; E829-I833 VanDerWaalsContact O-CG1 3.3Å; E829-I833 WeakPolarHBondContact O-CG1 3.29Å; E829-I833 PolarHBondContact O-N 3.21Å; E829-Y994 HydrophobicContact CG-CD2 3.68Å; E829-Y994 HydrophobicContact CG-CE2 3.2Å; E829-Y994 VanDerWaalsContact OE1-CD2 3.25Å; E829-Y994 WeakPolarHBondContact OE1-CD2 3.38Å |
| 830 | T | 84.6 | Confident | 82.1 | Confident | 31 Ų | 31 | 25.2 Ų | 25.2 | 19% | 0.19 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | -177.5 | -54.8 | 0 | 0 | 0 | 0 | 112 | T826 I827 I833 F834 | T826-T830 WeakPolarHBondContact O-CB 3.4Å; T826-T830 PolarHBondContact O-N 3.44Å; T826-T830 PolarHBondContact O-OG1 3.31Å; I827-T830 PolarHBondContact O-N 3.06Å; T830-I833 PolarHBondContact O-N 3.16Å; T830-F834 PolarHBondContact O-N 3Å; T830-F834 VanDerWaalsContact O-N 3.1Å |
| 831 | I | 85.9 | Confident | 82 | Confident | 76 Ų | 76 | 28.1 Ų | 28.1 | 39% | 0.39 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63 | -44.9 | 175.2 | -68.7 | 166 | 0 | 0 | 0 | 110.8 | L209 I827 T828 E829 F834 I835 | L209-I831 HydrophobicContact CD2-CG2 3.96Å; I827-I831 HydrophobicContact CG2-CD1 3.82Å; I827-I831 WeakPolarHBondContact O-CG1 3.32Å; I827-I831 PolarHBondContact O-N 3.15Å; T828-I831 PolarHBondContact O-N 2.92Å; E829-I831 PolarHBondContact O-N 3.35Å; I831-F834 PolarHBondContact O-N 3.38Å; I831-I835 HydrophobicContact CG2-CD1 3.93Å; I831-I835 WeakPolarHBondContact O-CG1 3.38Å; I831-I835 PolarHBondContact O-N 2.91Å; I831-I835 VanDerWaalsContact O-N 3.12Å |
| 832 | L | 81.7 | Confident | 81.7 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 178.4 | -71.3 | 167.1 | 0 | 0 | 0 | 111.8 | L209 I210 T828 E829 F834 I835 I836 | L209-L832 HydrophobicContact CD2-CD2 4.04Å; L209-L832 HydrophobicContact CD2-CG 4.12Å; I210-L832 HydrophobicContact CD1-CD1 4.09Å; I210-L832 HydrophobicContact CG1-CD1 3.88Å; T828-L832 HydrophobicContact CG2-CD1 4.22Å; T828-L832 VanDerWaalsContact O-CG 3.3Å; T828-L832 WeakPolarHBondContact O-CG 3.43Å; T828-L832 PolarHBondContact O-N 2.66Å; E829-L832 PolarHBondContact O-N 2.92Å; L832-F834 VanDerWaalsContact C-N 3.31Å; L832-F834 PolarHBondContact O-N 3.47Å; L832-I835 PolarHBondContact O-N 3.49Å; L832-I836 WeakPolarHBondContact O-CB 3.29Å; L832-I836 WeakPolarHBondContact O-CD1 3.5Å; L832-I836 WeakPolarHBondContact O-CG1 3.21Å; L832-I836 PolarHBondContact O-N 3.08Å |
| 833 | I | 81.2 | Confident | 81.2 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | 176.8 | -69.5 | 164.6 | 0 | 0 | 0 | 111.5 | E829 T830 I836 A837 F864 H867 P934 | E829-I833 VanDerWaalsContact O-CG1 3.3Å; E829-I833 WeakPolarHBondContact O-CG1 3.29Å; E829-I833 PolarHBondContact O-N 3.21Å; T830-I833 PolarHBondContact O-N 3.16Å; I833-I836 PolarHBondContact O-N 2.72Å; I833-A837 WeakPolarHBondContact O-CB 3.17Å; I833-A837 PolarHBondContact O-N 2.87Å; I833-F864 HydrophobicContact CG2-CD1 4.23Å; I833-F864 HydrophobicContact CG2-CE1 3.94Å; I833-F864 HydrophobicContact CG2-CZ 4.21Å; I833-H867 WeakPolarHBondContact CD1-CE1 3.35Å; I833-H867 WeakPolarHBondContact CD1-ND1 3.3Å; I833-H867 WeakPolarHBondContact CD1-NE2 3.44Å; I833-P934 HydrophobicContact CD1-CG 4.08Å; I833-P934 HydrophobicContact CG1-CB 4.18Å; I833-P934 HydrophobicContact CG1-CG 4.03Å |
| 834 | F | 85.7 | Confident | 80.4 | Confident | 127 Ų | 127 | 30 Ų | 30 | 56% | 0.557 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -61.9 | -47.8 | 175.2 | -173.4 | -93.8 | 0 | 0 | 0 | 111.7 | T830 I831 L832 I836 A837 T838 F864 | T830-F834 PolarHBondContact O-N 3Å; T830-F834 VanDerWaalsContact O-N 3.1Å; I831-F834 PolarHBondContact O-N 3.38Å; L832-F834 VanDerWaalsContact C-N 3.31Å; L832-F834 PolarHBondContact O-N 3.47Å; F834-I836 VanDerWaalsContact C-N 3.35Å; F834-I836 PolarHBondContact O-N 2.98Å; F834-A837 WeakPolarHBondContact O-CB 3.46Å; F834-A837 PolarHBondContact O-N 3.27Å; F834-T838 PolarHBondContact O-N 3.26Å; F834-T838 PolarHBondContact O-OG1 3.29Å; F834-T838 VanDerWaalsContact O-OG1 3.12Å; F834-F864 HydrophobicContact CB-CE1 4.37Å; F834-F864 HydrophobicContact CD2-CE1 4.27Å; F834-F864 HydrophobicContact CD2-CZ 4.18Å |
| 835 | I | 83.8 | Confident | 79.3 | Confident | 37 Ų | 37 | 31 Ų | 31 | 19% | 0.19 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 177.6 | -65.2 | 166.4 | 0 | 0 | 0 | 111.1 | V202 F205 I831 L832 T838 T839 | V202-I835 HydrophobicContact CB-CG2 4.47Å; V202-I835 HydrophobicContact CG1-CG2 3.71Å; V202-I835 HydrophobicContact CG2-CG2 4.04Å; F205-I835 HydrophobicContact CD1-CD1 3.83Å; F205-I835 HydrophobicContact CE1-CD1 3.45Å; F205-I835 VanDerWaalsContact CE1-CD1 3.45Å; F205-I835 HydrophobicContact CZ-CD1 4.42Å; I831-I835 HydrophobicContact CG2-CD1 3.93Å; I831-I835 WeakPolarHBondContact O-CG1 3.38Å; I831-I835 PolarHBondContact O-N 2.91Å; I831-I835 VanDerWaalsContact O-N 3.12Å; L832-I835 PolarHBondContact O-N 3.49Å; I835-T838 PolarHBondContact O-N 3.41Å; I835-T839 WeakPolarHBondContact O-CB 3.4Å; I835-T839 PolarHBondContact O-N 3.3Å; I835-T839 PolarHBondContact O-OG1 2.98Å |
| 836 | I | 76.5 | Confident | 78 | Confident | 4 Ų | 4 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.3 | -52 | 173.6 | -72.3 | 163.8 | 0 | 0 | 0 | 110.2 | L832 I833 F834 T838 T839 C840 P934 V937 V938 F988 | L832-I836 WeakPolarHBondContact O-CB 3.29Å; L832-I836 WeakPolarHBondContact O-CD1 3.5Å; L832-I836 WeakPolarHBondContact O-CG1 3.21Å; L832-I836 PolarHBondContact O-N 3.08Å; I833-I836 PolarHBondContact O-N 2.72Å; F834-I836 VanDerWaalsContact C-N 3.35Å; F834-I836 PolarHBondContact O-N 2.98Å; I836-T838 PolarHBondContact O-N 3.17Å; I836-T839 WeakPolarHBondContact O-CB 3.48Å; I836-T839 PolarHBondContact O-N 3.23Å; I836-T839 VanDerWaalsContact O-N 3.16Å; I836-C840 WeakPolarHBondContact O-CB 3.4Å; I836-C840 PolarHBondContact O-N 3.06Å; I836-C840 PolarHBondContact O-SG 3.49Å; I836-P934 HydrophobicContact CD1-CB 4.24Å; I836-V937 HydrophobicContact CG2-CG1 4.03Å; I836-V938 HydrophobicContact CG2-CG2 3.67Å; I836-F988 HydrophobicContact CD1-CD1 3.98Å; I836-F988 HydrophobicContact CD1-CD2 3.85Å; I836-F988 HydrophobicContact CD1-CE1 3.78Å; I836-F988 HydrophobicContact CD1-CE2 3.65Å; I836-F988 HydrophobicContact CD1-CG 4.03Å; I836-F988 HydrophobicContact CD1-CZ 3.63Å; I836-F988 HydrophobicContact CG1-CD2 4.18Å; I836-F988 HydrophobicContact CG1-CE1 3.92Å; I836-F988 HydrophobicContact CG1-CE2 3.47Å; I836-F988 VanDerWaalsContact CG1-CE2 3.47Å; I836-F988 HydrophobicContact CG1-CZ 3.32Å |
| 837 | A | 80.1 | Confident | 76.6 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.1 | -50.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I833 F834 T839 C840 F841 L860 F864 | I833-A837 WeakPolarHBondContact O-CB 3.17Å; I833-A837 PolarHBondContact O-N 2.87Å; F834-A837 WeakPolarHBondContact O-CB 3.46Å; F834-A837 PolarHBondContact O-N 3.27Å; A837-T839 VanDerWaalsContact C-N 3.32Å; A837-T839 PolarHBondContact O-N 2.93Å; A837-C840 WeakPolarHBondContact O-CB 3.34Å; A837-C840 PolarHBondContact O-N 3.5Å; A837-F841 WeakPolarHBondContact O-CD2 3.38Å; A837-F841 PolarHBondContact O-N 2.73Å; A837-L860 HydrophobicContact CB-CD1 3.72Å; A837-L860 HydrophobicContact CB-CD2 4.36Å; A837-F864 HydrophobicContact CB-CE2 4.09Å; A837-F864 HydrophobicContact CB-CZ 4.01Å |
| 838 | T | 82.1 | Confident | 75.2 | Confident | 60 Ų | 60 | 38 Ų | 38 | 37% | 0.368 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.7 | -42 | 177 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | F834 I835 I836 F841 I842 | F834-T838 PolarHBondContact O-N 3.26Å; F834-T838 PolarHBondContact O-OG1 3.29Å; F834-T838 VanDerWaalsContact O-OG1 3.12Å; I835-T838 PolarHBondContact O-N 3.41Å; I836-T838 PolarHBondContact O-N 3.17Å; T838-F841 PolarHBondContact O-N 2.63Å; T838-I842 HydrophobicContact CG2-CD1 3.96Å; T838-I842 WeakPolarHBondContact O-CG1 3.27Å; T838-I842 PolarHBondContact O-N 2.84Å; T838-I842 VanDerWaalsContact O-N 3.09Å |
| 839 | T | 79 | Confident | 74.1 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -45.3 | 178.1 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | L199 V202 I835 I836 A837 F841 I842 V843 | L199-T839 HydrophobicContact CD2-CG2 3.77Å; L199-T839 HydrophobicContact CG-CG2 4.47Å; V202-T839 HydrophobicContact CG2-CG2 4.35Å; V202-T839 WeakPolarHBondContact CG2-OG1 3.34Å; I835-T839 WeakPolarHBondContact O-CB 3.4Å; I835-T839 PolarHBondContact O-N 3.3Å; I835-T839 PolarHBondContact O-OG1 2.98Å; I836-T839 WeakPolarHBondContact O-CB 3.48Å; I836-T839 PolarHBondContact O-N 3.23Å; I836-T839 VanDerWaalsContact O-N 3.16Å; A837-T839 VanDerWaalsContact C-N 3.32Å; A837-T839 PolarHBondContact O-N 2.93Å; T839-F841 PolarHBondContact O-N 3.15Å; T839-I842 PolarHBondContact O-N 2.95Å; T839-V843 HydrophobicContact CG2-CG2 4.06Å; T839-V843 WeakPolarHBondContact O-CB 3.4Å; T839-V843 VanDerWaalsContact O-CG2 3.3Å; T839-V843 WeakPolarHBondContact O-CG2 3.47Å; T839-V843 PolarHBondContact O-N 3.12Å |
| 840 | C | 75.5 | Confident | 72.6 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57 | -47.6 | 175.1 | -72.9 | 0 | 0 | 0 | 0 | 111.9 | I836 A837 I842 F844 F856 T941 | I836-C840 WeakPolarHBondContact O-CB 3.4Å; I836-C840 PolarHBondContact O-N 3.06Å; I836-C840 PolarHBondContact O-SG 3.49Å; A837-C840 WeakPolarHBondContact O-CB 3.34Å; A837-C840 PolarHBondContact O-N 3.5Å; C840-I842 VanDerWaalsContact C-N 3.32Å; C840-I842 PolarHBondContact O-N 3.39Å; C840-F844 WeakPolarHBondContact O-CB 3.29Å; C840-F844 WeakPolarHBondContact O-CD2 3.43Å; C840-F844 PolarHBondContact O-N 2.93Å; C840-F856 HydrophobicContact CB-CE2 4.16Å; C840-F856 HydrophobicContact CB-CZ 4.1Å; C840-T941 HydrophobicContact CB-CG2 3.87Å |
| 841 | F | 76.7 | Confident | 71 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 177.2 | -75.8 | -63.3 | 0 | 0 | 0 | 113.2 | A837 T838 T839 R848 F856 Y857 L860 | A837-F841 WeakPolarHBondContact O-CD2 3.38Å; A837-F841 PolarHBondContact O-N 2.73Å; T838-F841 PolarHBondContact O-N 2.63Å; T839-F841 PolarHBondContact O-N 3.15Å; F841-R848 VanDerWaalsContact O-CZ 3.25Å; F841-R848 PolarHBondContact O-NE 3.46Å; F841-R848 PolarHBondContact O-NH2 2.87Å; F841-F856 HydrophobicContact CD1-CE1 4.27Å; F841-F856 AromaticContact CE1-CE1 3.65Å; F841-F856 HydrophobicContact CE1-CE1 3.65Å; F841-F856 HydrophobicContact CE1-CZ 4.28Å; F841-F856 HydrophobicContact CE2-CE1 4.49Å; F841-F856 HydrophobicContact CE2-CZ 4.43Å; F841-F856 AromaticContact CZ-CE1 3.77Å; F841-F856 HydrophobicContact CZ-CE1 3.77Å; F841-F856 HydrophobicContact CZ-CZ 4.15Å; F841-Y857 AromaticContact CE1-CE1 3.83Å; F841-Y857 HydrophobicContact CE1-CE1 3.83Å; F841-Y857 HydrophobicContact CZ-CE1 4.11Å; F841-L860 HydrophobicContact CE2-CD2 3.84Å; F841-L860 HydrophobicContact CZ-CD2 3.88Å |
| 842 | I | 74.7 | Confident | 69.5 | Low | 72 Ų | 72 | 53.3 Ų | 53.3 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73.7 | -49 | 179.8 | -66.5 | 166.2 | 0 | 0 | 0 | 111.1 | W195 L198 T838 T839 C840 R848 | W195-I842 HydrophobicContact CB-CG2 4.5Å; L198-I842 HydrophobicContact CD2-CB 3.81Å; L198-I842 HydrophobicContact CD2-CD1 3.62Å; L198-I842 HydrophobicContact CD2-CG1 4.32Å; L198-I842 HydrophobicContact CD2-CG2 3.55Å; T838-I842 HydrophobicContact CG2-CD1 3.96Å; T838-I842 WeakPolarHBondContact O-CG1 3.27Å; T838-I842 PolarHBondContact O-N 2.84Å; T838-I842 VanDerWaalsContact O-N 3.09Å; T839-I842 PolarHBondContact O-N 2.95Å; C840-I842 VanDerWaalsContact C-N 3.32Å; C840-I842 PolarHBondContact O-N 3.39Å; I842-R848 PolarHBondContact O-NH2 3.32Å; I842-R848 VanDerWaalsContact O-NH2 3.14Å |
| 843 | V | 70.6 | Confident | 68.7 | Low | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -72.5 | -33.2 | -173.5 | 172.6 | 0 | 0 | 0 | 0 | 113.1 | W195 L199 T839 P845 R977 | W195-V843 HydrophobicContact CB-CG2 4.36Å; W195-V843 HydrophobicContact CE3-CG1 3.92Å; W195-V843 HydrophobicContact CE3-CG2 4.42Å; W195-V843 HydrophobicContact CZ3-CG1 4.3Å; L199-V843 HydrophobicContact CD1-CG1 4.04Å; L199-V843 HydrophobicContact CD1-CG2 3.88Å; L199-V843 HydrophobicContact CD2-CG2 3.97Å; L199-V843 HydrophobicContact CG-CG2 3.77Å; T839-V843 HydrophobicContact CG2-CG2 4.06Å; T839-V843 WeakPolarHBondContact O-CB 3.4Å; T839-V843 VanDerWaalsContact O-CG2 3.3Å; T839-V843 WeakPolarHBondContact O-CG2 3.47Å; T839-V843 PolarHBondContact O-N 3.12Å; V843-P845 WeakPolarHBondContact O-CD 3.18Å; V843-R977 PolarHBondContact O-NE 3.2Å |
| 844 | F | 68.2 | Low | 68.4 | Low | 14 Ų | 14 | 57.5 Ų | 57.5 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | trans | -111.1 | 72.3 | -178.9 | -60.5 | -91.9 | 0 | 0 | 0 | 110.8 | C840 D846 A847 R977 | C840-F844 WeakPolarHBondContact O-CB 3.29Å; C840-F844 WeakPolarHBondContact O-CD2 3.43Å; C840-F844 PolarHBondContact O-N 2.93Å; F844-D846 PolarHBondContact O-N 2.97Å; F844-D846 VanDerWaalsContact O-N 3.14Å; F844-A847 HydrophobicContact CB-CB 4.36Å; F844-A847 WeakPolarHBondContact O-CB 3.44Å; F844-A847 PolarHBondContact O-N 3.28Å; F844-A847 VanDerWaalsContact O-N 3.13Å; F844-R977 HydrophobicContact CE1-CB 3.85Å; F844-R977 HydrophobicContact CZ-CB 4.34Å | ||
| 845 | P | 61 | Low | 68 | Low | 44 Ų | 44 | 55 Ų | 55 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -60.7 | -25.3 | -179.6 | 27 | -35.7 | 0 | 0 | 0 | 112.8 | V843 A847 R848 | V843-P845 WeakPolarHBondContact O-CD 3.18Å; P845-A847 VanDerWaalsContact C-N 3.29Å; P845-A847 PolarHBondContact O-N 2.95Å; P845-R848 VanDerWaalsContact O-CB 3.22Å; P845-R848 WeakPolarHBondContact O-CB 3.26Å; P845-R848 WeakPolarHBondContact O-CG 3.31Å; P845-R848 PolarHBondContact O-N 2.94Å |
| 846 | D | 56.7 | Low | 67.7 | Low | 68 Ų | 68 | 53.4 Ų | 53.4 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -68.4 | -27.1 | 179.8 | -53.1 | -71.8 | 0 | 0 | 0 | 112.4 | F844 R848 K849 R977 | F844-D846 PolarHBondContact O-N 2.97Å; F844-D846 VanDerWaalsContact O-N 3.14Å; D846-R848 PolarHBondContact O-N 3.34Å; D846-K849 WeakPolarHBondContact O-CB 3.43Å; D846-K849 PolarHBondContact O-N 3.36Å; D846-K849 VanDerWaalsContact O-N 3.09Å; D846-R977 IonicContact OD2-CZ 2.77Å; D846-R977 IonicContact OD2-NH1 3.64Å; D846-R977 PolarHBondContact OD2-NH1 3.18Å |
| 847 | A | 54.9 | Low | 67.9 | Low | 11 Ų | 11 | 57.2 Ų | 57.2 | 9% | 0.091 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -65.7 | -22.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F844 P845 K849 A850 Y857 | F844-A847 HydrophobicContact CB-CB 4.36Å; F844-A847 WeakPolarHBondContact O-CB 3.44Å; F844-A847 PolarHBondContact O-N 3.28Å; F844-A847 VanDerWaalsContact O-N 3.13Å; P845-A847 VanDerWaalsContact C-N 3.29Å; P845-A847 PolarHBondContact O-N 2.95Å; A847-K849 PolarHBondContact O-N 3.16Å; A847-A850 PolarHBondContact O-N 3.44Å; A847-Y857 PolarHBondContact O-OH 2.87Å |
| 848 | R | 56.6 | Low | 68.2 | Low | 137 Ų | 137 | 61.8 Ų | 61.8 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -73.9 | -14.5 | 174.2 | -46.5 | -178.8 | -154.2 | 154 | 12.4 | 112.8 | F841 I842 P845 D846 A850 | F841-R848 VanDerWaalsContact O-CZ 3.25Å; F841-R848 PolarHBondContact O-NE 3.46Å; F841-R848 PolarHBondContact O-NH2 2.87Å; I842-R848 PolarHBondContact O-NH2 3.32Å; I842-R848 VanDerWaalsContact O-NH2 3.14Å; P845-R848 VanDerWaalsContact O-CB 3.22Å; P845-R848 WeakPolarHBondContact O-CB 3.26Å; P845-R848 WeakPolarHBondContact O-CG 3.31Å; P845-R848 PolarHBondContact O-N 2.94Å; D846-R848 PolarHBondContact O-N 3.34Å; R848-A850 PolarHBondContact O-N 2.91Å |
| 849 | K | 59.1 | Low | 68.4 | Low | 161 Ų | 161 | 61.2 Ų | 61.2 | 70% | 0.7 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -81.5 | 5.4 | 172.9 | -64.5 | -179.2 | 177.7 | 172.9 | 0 | 113.1 | D846 A847 V851 | D846-K849 WeakPolarHBondContact O-CB 3.43Å; D846-K849 PolarHBondContact O-N 3.36Å; D846-K849 VanDerWaalsContact O-N 3.09Å; A847-K849 PolarHBondContact O-N 3.16Å; K849-V851 VanDerWaalsContact C-N 3.29Å; K849-V851 PolarHBondContact O-N 3.41Å |
| 850 | A | 49.8 | Very low | 68.7 | Low | 58 Ų | 58 | 61.3 Ų | 61.3 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | trans | 61.7 | -37 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | A847 R848 N852 | A847-A850 PolarHBondContact O-N 3.44Å; R848-A850 PolarHBondContact O-N 2.91Å; A850-N852 VanDerWaalsContact C-N 3.35Å; A850-N852 PolarHBondContact O-N 2.7Å | ||
| 851 | V | 51.6 | Low | 69.3 | Low | 127 Ų | 127 | 67.1 Ų | 67.1 | 77% | 0.77 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -34 | -169.8 | -174 | 0 | 0 | 0 | 0 | 112.8 | K849 | K849-V851 VanDerWaalsContact C-N 3.29Å; K849-V851 PolarHBondContact O-N 3.41Å |
| 852 | N | 53.4 | Low | 70 | Confident | 100 Ų | 100 | 67.7 Ų | 67.7 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 12.5 | -165.9 | -62.3 | -18.6 | 0 | 0 | 0 | 115.4 | A850 Y944 | A850-N852 VanDerWaalsContact C-N 3.35Å; A850-N852 PolarHBondContact O-N 2.7Å; N852-Y944 HydrophobicContact CB-CD2 4.24Å; N852-Y944 HydrophobicContact CB-CE2 3.59Å |
| 853 | T | 65.8 | Low | 70.5 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 9% | 0.092 | 34% | 0.335 | C | S | . | . | trans | -136.2 | 48 | -176.8 | 53.2 | 0 | 0 | 0 | 0 | 115.6 | T855 F856 Y857 Y944 | T853-T855 PolarHBondContact O-N 3.11Å; T853-F856 PolarHBondContact O-N 3.45Å; T853-Y857 WeakPolarHBondContact O-CD2 3.5Å; T853-Y944 HydrophobicContact CG2-CD2 3.59Å; T853-Y944 HydrophobicContact CG2-CE2 4.44Å; T853-Y944 HydrophobicContact CG2-CG 3.76Å | ||
| 854 | P | 74.8 | Confident | 71.3 | Confident | 78 Ų | 78 | 67 Ų | 67 | 51% | 0.506 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -28.3 | -179 | 26.9 | -35.6 | 0 | 0 | 0 | 113.7 | F856 Y857 I858 | P854-F856 PolarHBondContact O-N 3.42Å; P854-Y857 PolarHBondContact O-N 2.96Å; P854-I858 HydrophobicContact CB-CD1 4.4Å; P854-I858 VanDerWaalsContact O-CG1 3.31Å; P854-I858 WeakPolarHBondContact O-CG1 3.34Å; P854-I858 PolarHBondContact O-N 2.84Å |
| 855 | T | 76.6 | Confident | 72.4 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.5 | -42 | -178.9 | 46.9 | 0 | 0 | 0 | 0 | 113.5 | T853 I858 I859 | T853-T855 PolarHBondContact O-N 3.11Å; T855-I858 PolarHBondContact O-N 2.74Å; T855-I859 WeakPolarHBondContact O-CB 3.48Å; T855-I859 VanDerWaalsContact O-CG1 3.31Å; T855-I859 WeakPolarHBondContact O-CG1 3.14Å; T855-I859 PolarHBondContact O-N 3.21Å |
| 856 | F | 78 | Confident | 73.7 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 1% | 0.013 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 178.1 | 166.8 | -109.9 | 0 | 0 | 0 | 111.6 | C840 F841 T853 P854 I858 I859 L860 V937 S940 T941 | C840-F856 HydrophobicContact CB-CE2 4.16Å; C840-F856 HydrophobicContact CB-CZ 4.1Å; F841-F856 HydrophobicContact CD1-CE1 4.27Å; F841-F856 AromaticContact CE1-CE1 3.65Å; F841-F856 HydrophobicContact CE1-CE1 3.65Å; F841-F856 HydrophobicContact CE1-CZ 4.28Å; F841-F856 HydrophobicContact CE2-CE1 4.49Å; F841-F856 HydrophobicContact CE2-CZ 4.43Å; F841-F856 AromaticContact CZ-CE1 3.77Å; F841-F856 HydrophobicContact CZ-CE1 3.77Å; F841-F856 HydrophobicContact CZ-CZ 4.15Å; T853-F856 PolarHBondContact O-N 3.45Å; P854-F856 PolarHBondContact O-N 3.42Å; F856-I858 PolarHBondContact O-N 2.92Å; F856-I859 PolarHBondContact O-N 3.37Å; F856-L860 HydrophobicContact CE1-CD2 4.25Å; F856-L860 HydrophobicContact CE2-CD2 4.46Å; F856-L860 HydrophobicContact CZ-CD2 3.91Å; F856-L860 VanDerWaalsContact O-CB 3.22Å; F856-L860 WeakPolarHBondContact O-CB 3.35Å; F856-L860 PolarHBondContact O-N 3.17Å; F856-V937 HydrophobicContact CE2-CG1 4.05Å; F856-S940 WeakPolarHBondContact CD2-OG 3.41Å; F856-T941 HydrophobicContact CD2-CG2 3.41Å; F856-T941 VanDerWaalsContact CD2-CG2 3.41Å; F856-T941 HydrophobicContact CE2-CG2 3.38Å; F856-T941 HydrophobicContact CG-CG2 4.22Å; F856-T941 HydrophobicContact CZ-CG2 4.17Å |
| 857 | Y | 81.4 | Confident | 75 | Confident | 84 Ų | 84 | 67.5 Ų | 67.5 | 33% | 0.329 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | -179.8 | -66.5 | -83 | 0 | 0 | 0 | 112.1 | F841 A847 T853 P854 F861 | F841-Y857 AromaticContact CE1-CE1 3.83Å; F841-Y857 HydrophobicContact CE1-CE1 3.83Å; F841-Y857 HydrophobicContact CZ-CE1 4.11Å; A847-Y857 PolarHBondContact O-OH 2.87Å; T853-Y857 WeakPolarHBondContact O-CD2 3.5Å; P854-Y857 PolarHBondContact O-N 2.96Å; Y857-F861 VanDerWaalsContact O-CB 3.31Å; Y857-F861 WeakPolarHBondContact O-CB 3.36Å; Y857-F861 PolarHBondContact O-N 3.29Å |
| 858 | I | 85.9 | Confident | 76.6 | Confident | 100 Ų | 100 | 70.9 Ų | 70.9 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 175.8 | -67.7 | 164.2 | 0 | 0 | 0 | 110.9 | P854 T855 F856 L860 F861 I862 | P854-I858 HydrophobicContact CB-CD1 4.4Å; P854-I858 VanDerWaalsContact O-CG1 3.31Å; P854-I858 WeakPolarHBondContact O-CG1 3.34Å; P854-I858 PolarHBondContact O-N 2.84Å; T855-I858 PolarHBondContact O-N 2.74Å; F856-I858 PolarHBondContact O-N 2.92Å; I858-L860 VanDerWaalsContact C-N 3.35Å; I858-L860 PolarHBondContact O-N 3.07Å; I858-F861 PolarHBondContact O-N 2.94Å; I858-I862 HydrophobicContact CG2-CD1 3.85Å; I858-I862 VanDerWaalsContact O-CG1 3.29Å; I858-I862 WeakPolarHBondContact O-CG1 3.29Å; I858-I862 PolarHBondContact O-N 2.89Å |
| 859 | I | 85.8 | Confident | 78.3 | Confident | 48 Ų | 48 | 69.7 Ų | 69.7 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | -178.9 | -69.3 | 166.5 | 0 | 0 | 0 | 111 | T855 F856 I862 A863 V937 | T855-I859 WeakPolarHBondContact O-CB 3.48Å; T855-I859 VanDerWaalsContact O-CG1 3.31Å; T855-I859 WeakPolarHBondContact O-CG1 3.14Å; T855-I859 PolarHBondContact O-N 3.21Å; F856-I859 PolarHBondContact O-N 3.37Å; I859-I862 PolarHBondContact O-N 3.4Å; I859-A863 WeakPolarHBondContact O-CB 3.26Å; I859-A863 PolarHBondContact O-N 3Å; I859-V937 HydrophobicContact CG2-CG2 4.11Å |
| 860 | L | 84.9 | Confident | 79.6 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -43.4 | 175.9 | -176.2 | 64 | 0 | 0 | 0 | 112.3 | A837 F841 F856 I858 A863 F864 V937 | A837-L860 HydrophobicContact CB-CD1 3.72Å; A837-L860 HydrophobicContact CB-CD2 4.36Å; F841-L860 HydrophobicContact CE2-CD2 3.84Å; F841-L860 HydrophobicContact CZ-CD2 3.88Å; F856-L860 HydrophobicContact CE1-CD2 4.25Å; F856-L860 HydrophobicContact CE2-CD2 4.46Å; F856-L860 HydrophobicContact CZ-CD2 3.91Å; F856-L860 VanDerWaalsContact O-CB 3.22Å; F856-L860 WeakPolarHBondContact O-CB 3.35Å; F856-L860 PolarHBondContact O-N 3.17Å; I858-L860 VanDerWaalsContact C-N 3.35Å; I858-L860 PolarHBondContact O-N 3.07Å; L860-A863 PolarHBondContact O-N 3.02Å; L860-F864 HydrophobicContact CD1-CD2 3.96Å; L860-F864 HydrophobicContact CD1-CE2 3.59Å; L860-F864 HydrophobicContact CD1-CZ 4.49Å; L860-F864 HydrophobicContact CD2-CE2 4.45Å; L860-F864 HydrophobicContact CG-CD2 4.03Å; L860-F864 HydrophobicContact CG-CE2 3.91Å; L860-F864 WeakPolarHBondContact O-CD2 3.33Å; L860-F864 PolarHBondContact O-N 3.21Å; L860-F864 VanDerWaalsContact O-N 3.08Å; L860-V937 HydrophobicContact CD1-CG1 3.85Å; L860-V937 HydrophobicContact CD1-CG2 4.18Å |
| 861 | F | 89.2 | Confident | 81.4 | Confident | 132 Ų | 132 | 62 Ų | 62 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 175.5 | 178.7 | -101.1 | 0 | 0 | 0 | 111.6 | Y857 I858 A863 F864 M865 | Y857-F861 VanDerWaalsContact O-CB 3.31Å; Y857-F861 WeakPolarHBondContact O-CB 3.36Å; Y857-F861 PolarHBondContact O-N 3.29Å; I858-F861 PolarHBondContact O-N 2.94Å; F861-A863 PolarHBondContact O-N 3.44Å; F861-F864 PolarHBondContact O-N 3.4Å; F861-M865 HydrophobicContact CD1-CG 4.08Å; F861-M865 HydrophobicContact CD2-CG 4.39Å; F861-M865 HydrophobicContact CE1-CG 3.7Å; F861-M865 HydrophobicContact CE1-SD 3.74Å; F861-M865 HydrophobicContact CE2-CG 4.04Å; F861-M865 HydrophobicContact CE2-SD 4.3Å; F861-M865 HydrophobicContact CG-CG 4.41Å; F861-M865 HydrophobicContact CZ-CG 3.68Å; F861-M865 HydrophobicContact CZ-SD 3.52Å; F861-M865 VanDerWaalsContact CZ-SD 3.52Å; F861-M865 WeakPolarHBondContact O-CB 3.42Å; F861-M865 VanDerWaalsContact O-CG 3.28Å; F861-M865 WeakPolarHBondContact O-CG 3.29Å; F861-M865 PolarHBondContact O-N 3.28Å |
| 862 | I | 90.1 | Very high | 83.3 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.5 | -67 | 165.3 | 0 | 0 | 0 | 110.8 | I858 I859 F864 M865 V866 L933 | I858-I862 HydrophobicContact CG2-CD1 3.85Å; I858-I862 VanDerWaalsContact O-CG1 3.29Å; I858-I862 WeakPolarHBondContact O-CG1 3.29Å; I858-I862 PolarHBondContact O-N 2.89Å; I859-I862 PolarHBondContact O-N 3.4Å; I862-F864 PolarHBondContact O-N 3.32Å; I862-M865 PolarHBondContact O-N 3.28Å; I862-V866 HydrophobicContact CG2-CG2 4.23Å; I862-V866 WeakPolarHBondContact O-CB 3.3Å; I862-V866 WeakPolarHBondContact O-CG2 3.43Å; I862-V866 PolarHBondContact O-N 3.02Å; I862-L933 HydrophobicContact CG2-CD2 4.03Å |
| 863 | A | 85.4 | Confident | 85 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I859 L860 F861 H867 L933 V937 | I859-A863 WeakPolarHBondContact O-CB 3.26Å; I859-A863 PolarHBondContact O-N 3Å; L860-A863 PolarHBondContact O-N 3.02Å; F861-A863 PolarHBondContact O-N 3.44Å; A863-H867 PolarHBondContact O-N 3.44Å; A863-H867 PolarHBondContact O-ND1 3Å; A863-L933 HydrophobicContact CB-CB 4.44Å; A863-L933 HydrophobicContact CB-CD2 4.18Å; A863-V937 HydrophobicContact CB-CG2 3.74Å |
| 864 | F | 88 | Confident | 86 | Confident | 60 Ų | 60 | 54.1 Ų | 54.1 | 26% | 0.263 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.3 | -41.8 | 176 | -79.9 | -61.2 | 0 | 0 | 0 | 112.8 | I833 F834 A837 L860 F861 I862 H867 T868 | I833-F864 HydrophobicContact CG2-CD1 4.23Å; I833-F864 HydrophobicContact CG2-CE1 3.94Å; I833-F864 HydrophobicContact CG2-CZ 4.21Å; F834-F864 HydrophobicContact CB-CE1 4.37Å; F834-F864 HydrophobicContact CD2-CE1 4.27Å; F834-F864 HydrophobicContact CD2-CZ 4.18Å; A837-F864 HydrophobicContact CB-CE2 4.09Å; A837-F864 HydrophobicContact CB-CZ 4.01Å; L860-F864 HydrophobicContact CD1-CD2 3.96Å; L860-F864 HydrophobicContact CD1-CE2 3.59Å; L860-F864 HydrophobicContact CD1-CZ 4.49Å; L860-F864 HydrophobicContact CD2-CE2 4.45Å; L860-F864 HydrophobicContact CG-CD2 4.03Å; L860-F864 HydrophobicContact CG-CE2 3.91Å; L860-F864 WeakPolarHBondContact O-CD2 3.33Å; L860-F864 PolarHBondContact O-N 3.21Å; L860-F864 VanDerWaalsContact O-N 3.08Å; F861-F864 PolarHBondContact O-N 3.4Å; I862-F864 PolarHBondContact O-N 3.32Å; F864-H867 PolarHBondContact O-N 2.98Å; F864-T868 VanDerWaalsContact O-CB 3.25Å; F864-T868 WeakPolarHBondContact O-CB 3.11Å; F864-T868 PolarHBondContact O-N 2.99Å; F864-T868 PolarHBondContact O-OG1 3.45Å |
| 865 | M | 90.7 | Very high | 86.7 | Confident | 83 Ų | 83 | 54.5 Ų | 54.5 | 41% | 0.409 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.7 | -49.5 | 177.3 | -79.2 | -115.8 | 67.5 | 0 | 0 | 111.6 | F861 I862 T868 L869 | F861-M865 HydrophobicContact CD1-CG 4.08Å; F861-M865 HydrophobicContact CD2-CG 4.39Å; F861-M865 HydrophobicContact CE1-CG 3.7Å; F861-M865 HydrophobicContact CE1-SD 3.74Å; F861-M865 HydrophobicContact CE2-CG 4.04Å; F861-M865 HydrophobicContact CE2-SD 4.3Å; F861-M865 HydrophobicContact CG-CG 4.41Å; F861-M865 HydrophobicContact CZ-CG 3.68Å; F861-M865 HydrophobicContact CZ-SD 3.52Å; F861-M865 VanDerWaalsContact CZ-SD 3.52Å; F861-M865 WeakPolarHBondContact O-CB 3.42Å; F861-M865 VanDerWaalsContact O-CG 3.28Å; F861-M865 WeakPolarHBondContact O-CG 3.29Å; F861-M865 PolarHBondContact O-N 3.28Å; I862-M865 PolarHBondContact O-N 3.28Å; M865-T868 PolarHBondContact O-N 3.04Å; M865-L869 HydrophobicContact CE-CD1 4.37Å; M865-L869 WeakPolarHBondContact O-CB 3.13Å; M865-L869 VanDerWaalsContact O-CG 3.25Å; M865-L869 WeakPolarHBondContact O-CG 3.37Å; M865-L869 PolarHBondContact O-N 3.27Å |
| 866 | V | 88.7 | Confident | 87.2 | Confident | 52 Ų | 52 | 53 Ų | 53 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | -178.6 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | I862 L869 L870 I930 L933 | I862-V866 HydrophobicContact CG2-CG2 4.23Å; I862-V866 WeakPolarHBondContact O-CB 3.3Å; I862-V866 WeakPolarHBondContact O-CG2 3.43Å; I862-V866 PolarHBondContact O-N 3.02Å; V866-L869 PolarHBondContact O-N 3.5Å; V866-L870 WeakPolarHBondContact O-CB 3.22Å; V866-L870 PolarHBondContact O-N 2.89Å; V866-I930 HydrophobicContact CG1-CG1 4.42Å; V866-L933 HydrophobicContact CB-CD1 3.94Å; V866-L933 HydrophobicContact CG1-CD1 3.88Å; V866-L933 HydrophobicContact CG2-CD1 4.12Å |
| 867 | H | 85.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.8 | -38.7 | 179.4 | -74.1 | 77.9 | 0 | 0 | 0 | 112.5 | I833 A863 F864 L870 L871 | I833-H867 WeakPolarHBondContact CD1-CE1 3.35Å; I833-H867 WeakPolarHBondContact CD1-ND1 3.3Å; I833-H867 WeakPolarHBondContact CD1-NE2 3.44Å; A863-H867 PolarHBondContact O-N 3.44Å; A863-H867 PolarHBondContact O-ND1 3Å; F864-H867 PolarHBondContact O-N 2.98Å; H867-L870 PolarHBondContact O-N 3.19Å; H867-L871 VanDerWaalsContact O-CB 3.25Å; H867-L871 WeakPolarHBondContact O-CB 3.46Å; H867-L871 PolarHBondContact O-N 3.25Å |
| 868 | T | 88.6 | Confident | 87.5 | Confident | 83 Ų | 83 | 50.7 Ų | 50.7 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | F864 M865 L871 A872 | F864-T868 VanDerWaalsContact O-CB 3.25Å; F864-T868 WeakPolarHBondContact O-CB 3.11Å; F864-T868 PolarHBondContact O-N 2.99Å; F864-T868 PolarHBondContact O-OG1 3.45Å; M865-T868 PolarHBondContact O-N 3.04Å; T868-L871 PolarHBondContact O-N 2.89Å; T868-A872 VanDerWaalsContact O-CB 3.27Å; T868-A872 WeakPolarHBondContact O-CB 3.41Å; T868-A872 PolarHBondContact O-N 2.85Å |
| 869 | L | 90.4 | Very high | 87.3 | Confident | 112 Ų | 112 | 47.1 Ų | 47.1 | 59% | 0.586 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.5 | -40.9 | 176.6 | -71.9 | 168.7 | 0 | 0 | 0 | 112.1 | M865 V866 L873 | M865-L869 HydrophobicContact CE-CD1 4.37Å; M865-L869 WeakPolarHBondContact O-CB 3.13Å; M865-L869 VanDerWaalsContact O-CG 3.25Å; M865-L869 WeakPolarHBondContact O-CG 3.37Å; M865-L869 PolarHBondContact O-N 3.27Å; V866-L869 PolarHBondContact O-N 3.5Å; L869-L873 WeakPolarHBondContact O-CB 3.46Å; L869-L873 PolarHBondContact O-N 2.98Å |
| 870 | L | 87.5 | Confident | 87 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 175.6 | -179.8 | 61.6 | 0 | 0 | 0 | 111.7 | T826 V866 H867 L873 L874 F918 I930 | T826-L870 HydrophobicContact CG2-CB 4.43Å; T826-L870 HydrophobicContact CG2-CD2 3.83Å; T826-L870 HydrophobicContact CG2-CG 4.01Å; V866-L870 WeakPolarHBondContact O-CB 3.22Å; V866-L870 PolarHBondContact O-N 2.89Å; H867-L870 PolarHBondContact O-N 3.19Å; L870-L873 WeakPolarHBondContact O-CB 3.45Å; L870-L873 PolarHBondContact O-N 2.77Å; L870-L874 HydrophobicContact CD1-CD1 4.18Å; L870-L874 HydrophobicContact CD1-CG 4.37Å; L870-L874 HydrophobicContact CG-CD1 4.01Å; L870-L874 WeakPolarHBondContact O-CB 3.35Å; L870-L874 VanDerWaalsContact O-CG 3.28Å; L870-L874 WeakPolarHBondContact O-CG 3.47Å; L870-L874 PolarHBondContact O-N 3.42Å; L870-F918 HydrophobicContact CD1-CE2 4.41Å; L870-F918 HydrophobicContact CD1-CZ 4.33Å; L870-I930 HydrophobicContact CD2-CD1 3.67Å; L870-I930 HydrophobicContact CD2-CG1 4.44Å |
| 871 | L | 88.4 | Confident | 86.5 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.8 | -176 | 59 | 0 | 0 | 0 | 111.3 | F823 T826 I827 H867 T868 L873 L874 I875 | F823-L871 HydrophobicContact CD2-CD1 4Å; F823-L871 HydrophobicContact CE2-CD1 3.89Å; T826-L871 HydrophobicContact CG2-CB 4.29Å; I827-L871 HydrophobicContact CD1-CD1 4.39Å; I827-L871 HydrophobicContact CG1-CD1 3.74Å; H867-L871 VanDerWaalsContact O-CB 3.25Å; H867-L871 WeakPolarHBondContact O-CB 3.46Å; H867-L871 PolarHBondContact O-N 3.25Å; T868-L871 PolarHBondContact O-N 2.89Å; L871-L873 PolarHBondContact O-N 2.98Å; L871-L874 PolarHBondContact O-N 2.63Å; L871-I875 HydrophobicContact CD1-CD1 4.13Å; L871-I875 HydrophobicContact CD1-CG1 4.35Å; L871-I875 HydrophobicContact CG-CD1 3.92Å; L871-I875 WeakPolarHBondContact O-CB 3.37Å; L871-I875 VanDerWaalsContact O-CG1 3.28Å; L871-I875 WeakPolarHBondContact O-CG1 3.4Å; L871-I875 PolarHBondContact O-N 2.88Å |
| 872 | A | 90.9 | Very high | 85.6 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T868 S876 | T868-A872 VanDerWaalsContact O-CB 3.27Å; T868-A872 WeakPolarHBondContact O-CB 3.41Å; T868-A872 PolarHBondContact O-N 2.85Å; A872-S876 VanDerWaalsContact O-CB 3.24Å; A872-S876 WeakPolarHBondContact O-CB 3.31Å; A872-S876 PolarHBondContact O-N 2.86Å; A872-S876 PolarHBondContact O-OG 2.78Å |
| 873 | L | 89.3 | Confident | 84.6 | Confident | 24 Ų | 24 | 46.9 Ų | 46.9 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 173.8 | 175.1 | 67.9 | 0 | 0 | 0 | 111.9 | L869 L870 L871 S876 D877 L913 L917 | L869-L873 WeakPolarHBondContact O-CB 3.46Å; L869-L873 PolarHBondContact O-N 2.98Å; L870-L873 WeakPolarHBondContact O-CB 3.45Å; L870-L873 PolarHBondContact O-N 2.77Å; L871-L873 PolarHBondContact O-N 2.98Å; L873-S876 PolarHBondContact O-N 3.24Å; L873-D877 PolarHBondContact O-N 2.87Å; L873-L913 HydrophobicContact CD1-CD2 3.94Å; L873-L913 HydrophobicContact CD1-CG 4.06Å; L873-L917 HydrophobicContact CD2-CD1 3.47Å; L873-L917 VanDerWaalsContact CD2-CD1 3.47Å |
| 874 | L | 87.3 | Confident | 83.5 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.6 | -43.8 | -179.3 | -71.5 | 170.4 | 0 | 0 | 0 | 112 | P822 F823 T826 L870 L871 S876 D877 L878 Y914 F918 | P822-L874 HydrophobicContact CB-CD1 4.48Å; P822-L874 HydrophobicContact CB-CD2 4.17Å; F823-L874 HydrophobicContact CD2-CB 4.28Å; T826-L874 HydrophobicContact CG2-CD1 4.38Å; L870-L874 HydrophobicContact CD1-CD1 4.18Å; L870-L874 HydrophobicContact CD1-CG 4.37Å; L870-L874 HydrophobicContact CG-CD1 4.01Å; L870-L874 WeakPolarHBondContact O-CB 3.35Å; L870-L874 VanDerWaalsContact O-CG 3.28Å; L870-L874 WeakPolarHBondContact O-CG 3.47Å; L870-L874 PolarHBondContact O-N 3.42Å; L871-L874 PolarHBondContact O-N 2.63Å; L874-S876 VanDerWaalsContact C-N 3.29Å; L874-S876 PolarHBondContact O-N 3.28Å; L874-D877 PolarHBondContact O-N 2.97Å; L874-L878 WeakPolarHBondContact O-CB 3.33Å; L874-L878 PolarHBondContact O-N 3.32Å; L874-Y914 HydrophobicContact CD2-CD2 4.25Å; L874-Y914 HydrophobicContact CD2-CE2 3.73Å; L874-F918 HydrophobicContact CD2-CE2 4.23Å; L874-F918 HydrophobicContact CD2-CZ 3.87Å |
| 875 | I | 88 | Confident | 81.8 | Confident | 86 Ų | 86 | 50.1 Ų | 50.1 | 44% | 0.441 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 171.5 | -69.1 | 167.9 | 0 | 0 | 0 | 110.1 | F823 L871 L878 A879 | F823-I875 HydrophobicContact CD2-CG1 4.36Å; F823-I875 HydrophobicContact CE2-CD1 4.38Å; F823-I875 HydrophobicContact CE2-CG1 3.63Å; F823-I875 HydrophobicContact CZ-CG1 4.5Å; L871-I875 HydrophobicContact CD1-CD1 4.13Å; L871-I875 HydrophobicContact CD1-CG1 4.35Å; L871-I875 HydrophobicContact CG-CD1 3.92Å; L871-I875 WeakPolarHBondContact O-CB 3.37Å; L871-I875 VanDerWaalsContact O-CG1 3.28Å; L871-I875 WeakPolarHBondContact O-CG1 3.4Å; L871-I875 PolarHBondContact O-N 2.88Å; I875-L878 PolarHBondContact O-N 3.37Å; I875-A879 WeakPolarHBondContact O-CB 3.43Å; I875-A879 PolarHBondContact O-N 3.47Å |
| 876 | S | 88.1 | Confident | 79.9 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 30% | 0.301 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | -179.5 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | A872 L873 L874 A880 | A872-S876 VanDerWaalsContact O-CB 3.24Å; A872-S876 WeakPolarHBondContact O-CB 3.31Å; A872-S876 PolarHBondContact O-N 2.86Å; A872-S876 PolarHBondContact O-OG 2.78Å; L873-S876 PolarHBondContact O-N 3.24Å; L874-S876 VanDerWaalsContact C-N 3.29Å; L874-S876 PolarHBondContact O-N 3.28Å; S876-A880 WeakPolarHBondContact O-CB 3.45Å; S876-A880 PolarHBondContact O-N 3.38Å |
| 877 | D | 84.4 | Confident | 77.8 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 175.6 | 173.4 | 79.2 | 0 | 0 | 0 | 111.5 | R819 L873 L874 W881 V910 Y914 | R819-D877 VanDerWaalsContact CZ-CG 3.47Å; R819-D877 IonicContact CZ-OD1 2.78Å; R819-D877 IonicContact CZ-OD2 3.8Å; R819-D877 IonicContact NE-OD2 3.59Å; R819-D877 IonicContact NH1-OD1 3.73Å; R819-D877 PolarHBondContact NH1-OD1 2.91Å; R819-D877 IonicContact NH1-OD2 2.93Å; R819-D877 PolarHBondContact NH1-OD2 3.01Å; R819-D877 IonicContact NH2-OD1 3.23Å; R819-D877 PolarHBondContact NH2-OD1 3.39Å; R819-D877 IonicContact NH2-OD2 3.9Å; R819-D877 PolarHBondContact NH2-OD2 3.21Å; L873-D877 PolarHBondContact O-N 2.87Å; L874-D877 PolarHBondContact O-N 2.97Å; D877-W881 WeakPolarHBondContact O-CB 3.37Å; D877-W881 PolarHBondContact O-N 2.93Å; D877-V910 HydrophobicContact CB-CG1 4.05Å; D877-Y914 HydrophobicContact CB-CD2 3.96Å; D877-Y914 HydrophobicContact CB-CG 4.01Å |
| 878 | L | 80.6 | Confident | 75.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67 | -41.2 | 177 | -161.1 | 71 | 0 | 0 | 0 | 111.6 | I820 L874 I875 W881 A882 | I820-L878 HydrophobicContact CG1-CD1 4.21Å; L874-L878 WeakPolarHBondContact O-CB 3.33Å; L874-L878 PolarHBondContact O-N 3.32Å; I875-L878 PolarHBondContact O-N 3.37Å; L878-W881 PolarHBondContact O-N 3.45Å; L878-A882 VanDerWaalsContact O-CB 3.29Å; L878-A882 WeakPolarHBondContact O-CB 3.42Å; L878-A882 PolarHBondContact O-N 3.42Å |
| 879 | A | 82.1 | Confident | 73.1 | Confident | 25 Ų | 25 | 64 Ų | 64 | 21% | 0.207 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I875 W881 A882 W883 | I875-A879 WeakPolarHBondContact O-CB 3.43Å; I875-A879 PolarHBondContact O-N 3.47Å; A879-W881 VanDerWaalsContact C-N 3.25Å; A879-W881 PolarHBondContact O-N 3.13Å; A879-A882 PolarHBondContact O-N 2.94Å; A879-W883 HydrophobicContact CB-CE3 4.16Å; A879-W883 HydrophobicContact CB-CZ3 4.05Å; A879-W883 PolarHBondContact O-N 3.2Å |
| 880 | A | 80.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62 | -33.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S876 C884 W906 R907 V910 I911 | S876-A880 WeakPolarHBondContact O-CB 3.45Å; S876-A880 PolarHBondContact O-N 3.38Å; A880-C884 WeakPolarHBondContact O-CB 3.47Å; A880-C884 PolarHBondContact O-N 3.18Å; A880-W906 HydrophobicContact CB-CH2 4.4Å; A880-W906 HydrophobicContact CB-CZ3 3.88Å; A880-R907 HydrophobicContact CB-CB 4Å; A880-R907 HydrophobicContact CB-CG 4.22Å; A880-V910 HydrophobicContact CB-CG1 4.47Å; A880-I911 HydrophobicContact CB-CD1 4.1Å; A880-I911 HydrophobicContact CB-CG1 4.1Å |
| 881 | W | 73.9 | Confident | 67.4 | Low | 55 Ų | 55 | 67.6 Ų | 67.6 | 21% | 0.208 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.8 | -48.6 | 173.3 | 177.8 | 83.9 | 0 | 0 | 0 | 112 | L813 D877 L878 A879 W883 C884 | L813-W881 HydrophobicContact CD1-CH2 3.74Å; L813-W881 HydrophobicContact CD1-CZ3 3.61Å; L813-W881 HydrophobicContact CD2-CZ3 4.13Å; L813-W881 HydrophobicContact CG-CZ3 4.33Å; D877-W881 WeakPolarHBondContact O-CB 3.37Å; D877-W881 PolarHBondContact O-N 2.93Å; L878-W881 PolarHBondContact O-N 3.45Å; A879-W881 VanDerWaalsContact C-N 3.25Å; A879-W881 PolarHBondContact O-N 3.13Å; W881-W883 PolarHBondContact O-N 3.32Å; W881-C884 VanDerWaalsContact O-CB 3.26Å; W881-C884 WeakPolarHBondContact O-CB 3.41Å; W881-C884 PolarHBondContact O-N 3.41Å |
| 882 | A | 70.1 | Confident | 64.5 | Low | 40 Ų | 40 | 71.3 Ų | 71.3 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -33.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I21 L878 A879 | I21-A882 HydrophobicContact CD1-CB 4.09Å; L878-A882 VanDerWaalsContact O-CB 3.29Å; L878-A882 WeakPolarHBondContact O-CB 3.42Å; L878-A882 PolarHBondContact O-N 3.42Å; A879-A882 PolarHBondContact O-N 2.94Å |
| 883 | W | 68.9 | Low | 61.6 | Low | 171 Ų | 171 | 74.3 Ų | 74.3 | 65% | 0.648 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7.6 | 176.5 | -66.6 | -39.6 | 0 | 0 | 0 | 114.4 | A879 W881 P885 R907 | A879-W883 HydrophobicContact CB-CE3 4.16Å; A879-W883 HydrophobicContact CB-CZ3 4.05Å; A879-W883 PolarHBondContact O-N 3.2Å; W881-W883 PolarHBondContact O-N 3.32Å; W883-P885 WeakPolarHBondContact O-CD 3.34Å; W883-R907 PolarHBondContact O-NH1 2.9Å |
| 884 | C | 62.3 | Low | 58.7 | Low | 37 Ų | 37 | 82.6 Ų | 82.6 | 25% | 0.25 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -65.8 | 119.4 | 175.8 | -155.8 | 0 | 0 | 0 | 0 | 109.5 | A880 W881 R886 | A880-C884 WeakPolarHBondContact O-CB 3.47Å; A880-C884 PolarHBondContact O-N 3.18Å; W881-C884 VanDerWaalsContact O-CB 3.26Å; W881-C884 WeakPolarHBondContact O-CB 3.41Å; W881-C884 PolarHBondContact O-N 3.41Å; C884-R886 PolarHBondContact O-N 3.45Å; C884-R886 VanDerWaalsContact O-N 3.12Å |
| 885 | P | 52.6 | Low | 56 | Low | 92 Ų | 92 | 87.4 Ų | 87.4 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -62 | 120.4 | -179.2 | -21.8 | 33.7 | 0 | 0 | 0 | 110.3 | W883 R887 | W883-P885 WeakPolarHBondContact O-CD 3.34Å; P885-R887 PolarHBondContact O-N 2.96Å |
| 886 | R | 51.3 | Low | 53.2 | Low | 126 Ų | 126 | 91.5 Ų | 91.5 | 48% | 0.475 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 122.2 | 169.4 | -77.7 | -179.1 | 170.5 | 177.1 | -2.8 | 108 | M807 I810 E811 C884 G888 | M807-R886 HydrophobicContact CE-CG 4.29Å; I810-R886 PolarHBondContact O-NH2 2.98Å; E811-R886 IonicContact OE1-CZ 3.34Å; E811-R886 IonicContact OE1-NH1 3.09Å; E811-R886 PolarHBondContact OE1-NH1 2.86Å; E811-R886 IonicContact OE1-NH2 3.65Å; E811-R886 PolarHBondContact OE1-NH2 3.5Å; C884-R886 PolarHBondContact O-N 3.45Å; C884-R886 VanDerWaalsContact O-N 3.12Å; R886-G888 VanDerWaalsContact C-N 3.34Å; R886-G888 PolarHBondContact O-N 2.92Å |
| 887 | R | 44.6 | Very low | 50.8 | Low | 203 Ų | 203 | 96.1 Ų | 96.1 | 77% | 0.766 | 53% | 0.53 | S | S | * | . | trans | -65.8 | 98.7 | 160.9 | -85.6 | -178.7 | 170 | 156.8 | -4.2 | 106.5 | P885 | P885-R887 PolarHBondContact O-N 2.96Š| ||
| 888 | G | 38.5 | Very low | 48.4 | Very low | 58 Ų | 58 | 105 Ų | 105 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | trans | -68.7 | 126.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R886 S890 | R886-G888 VanDerWaalsContact C-N 3.34Å; R886-G888 PolarHBondContact O-N 2.92Å; G888-S890 PolarHBondContact O-N 3.35Å; G888-S890 VanDerWaalsContact O-N 3.07Å | ||
| 889 | I | 35.1 | Very low | 46.3 | Very low | 122 Ų | 122 | 108 Ų | 108 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | trans | -83.5 | 75.6 | 171.7 | -56.2 | 174.5 | 0 | 0 | 0 | 106.4 | ||||
| 890 | S | 28.5 | Very low | 44.3 | Very low | 100 Ų | 100 | 112.9 Ų | 112.9 | 70% | 0.699 | 62% | 0.618 | S | S | * | * | trans | -153.7 | 47 | -170.6 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | G888 | G888-S890 PolarHBondContact O-N 3.35Å; G888-S890 VanDerWaalsContact O-N 3.07Å | ||
| 891 | S | 30.5 | Very low | 42.6 | Very low | 110 Ų | 110 | 121.9 Ų | 121.9 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | -176.9 | 113.2 | 149.9 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 892 | S | 28.1 | Very low | 41.4 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 78% | 0.783 | 67% | 0.666 | S | S | * | * | trans | -66.3 | 157.2 | 148.4 | 48.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 893 | S | 28.9 | Very low | 40.6 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 53 | 78.7 | 166.1 | -60.7 | 0 | 0 | 0 | 0 | 118.2 | ||
| 894 | K | 28.9 | Very low | 39.9 | Very low | 198 Ų | 198 | 129.5 Ų | 129.5 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | -167.5 | 142.5 | 126.4 | -102.6 | 147 | -170.3 | 174 | 0 | 114.5 | |||||
| 895 | S | 30.1 | Very low | 40.5 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | trans | 54.9 | 103.3 | 172.4 | 59.6 | 0 | 0 | 0 | 0 | 118.3 | L897 | S895-L897 PolarHBondContact O-N 2.83Š| ||
| 896 | M | 30.6 | Very low | 42 | Very low | 172 Ų | 172 | 131.5 Ų | 131.5 | 85% | 0.847 | 68% | 0.679 | S | S | * | * | trans | -71.4 | 77.9 | 153 | -82.7 | -174.2 | 59 | 0 | 0 | 110.7 | ||||
| 897 | L | 35.8 | Very low | 43.3 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 73% | 0.733 | 67% | 0.668 | S | S | * | * | trans | -110.8 | 80.2 | 158.8 | -133.3 | 78 | 0 | 0 | 0 | 109.2 | S895 T899 | S895-L897 PolarHBondContact O-N 2.83Å; L897-T899 PolarHBondContact O-N 3.03Å | ||
| 898 | K | 35.1 | Very low | 44.8 | Very low | 189 Ų | 189 | 123.4 Ų | 123.4 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | trans | -69.6 | 69.5 | 170.9 | -76.1 | -175.6 | 176.7 | 176.9 | 0 | 109.7 | ||||
| 899 | T | 35.9 | Very low | 46.9 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | trans | -51.9 | 125.9 | 164 | 50.6 | 0 | 0 | 0 | 0 | 107.7 | L897 R901 | L897-T899 PolarHBondContact O-N 3.03Å; T899-R901 PolarHBondContact O-N 3.35Å | ||
| 900 | P | 40 | Very low | 49.3 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 83% | 0.831 | 62% | 0.62 | S | S | * | * | trans | -69 | 98.4 | -175.4 | 26.5 | -33.2 | 0 | 0 | 0 | 108.7 | S902 | P900-S902 PolarHBondContact O-N 3.5Š| ||
| 901 | R | 45.5 | Very low | 51.7 | Low | 189 Ų | 189 | 116.2 Ų | 116.2 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | trans | -51.3 | 117.1 | 174.4 | -79.7 | -172.5 | 174.3 | -171.7 | -2.3 | 108.3 | T899 R903 | T899-R901 PolarHBondContact O-N 3.35Å; R901-R903 PolarHBondContact O-N 2.97Å | ||
| 902 | S | 49 | Very low | 54.2 | Low | 72 Ų | 72 | 117.9 Ų | 117.9 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | trans | -53.2 | 125.9 | -172.4 | -179 | 0 | 0 | 0 | 0 | 110.6 | P900 Y904 D905 | P900-S902 PolarHBondContact O-N 3.5Å; S902-Y904 PolarHBondContact O-N 2.91Å; S902-Y904 WeakPolarHBondContact OG-CB 3.46Å; S902-Y904 PolarHBondContact OG-N 2.89Å; S902-D905 PolarHBondContact O-N 3.26Å; S902-D905 VanDerWaalsContact O-N 3.16Å | ||
| 903 | R | 51.5 | Low | 56.8 | Low | 161 Ų | 161 | 116.6 Ų | 116.6 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -9.5 | 171.5 | -85 | 179.7 | 166 | 167.3 | -6.8 | 112.6 | R901 | R901-R903 PolarHBondContact O-N 2.97Š|
| 904 | Y | 54.9 | Low | 59.4 | Low | 194 Ų | 194 | 111.4 Ų | 111.4 | 76% | 0.761 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 13.3 | 179.9 | -52.5 | -79.7 | 0 | 0 | 0 | 114.4 | S902 W906 | S902-Y904 PolarHBondContact O-N 2.91Å; S902-Y904 WeakPolarHBondContact OG-CB 3.46Å; S902-Y904 PolarHBondContact OG-N 2.89Å; Y904-W906 PolarHBondContact O-N 3Å |
| 905 | D | 75.2 | Confident | 61.8 | Low | 56 Ų | 56 | 102.2 Ų | 102.2 | 30% | 0.299 | 49% | 0.491 | S | S | . | . | trans | -60.2 | 112.3 | 164.8 | -178.6 | -3.3 | 0 | 0 | 0 | 109.2 | S902 R907 H908 I909 | S902-D905 PolarHBondContact O-N 3.26Å; S902-D905 VanDerWaalsContact O-N 3.16Å; D905-R907 PolarHBondContact O-N 2.96Å; D905-R907 VanDerWaalsContact OD1-CB 3.3Å; D905-R907 WeakPolarHBondContact OD1-CB 3.33Å; D905-R907 WeakPolarHBondContact OD1-CD 3.46Å; D905-R907 VanDerWaalsContact OD1-CG 3.23Å; D905-R907 WeakPolarHBondContact OD1-CG 3.41Å; D905-R907 PolarHBondContact OD1-N 3.4Å; D905-H908 PolarHBondContact O-N 2.91Å; D905-I909 PolarHBondContact O-N 3.05Å | ||
| 906 | W | 83.3 | Confident | 64.3 | Low | 115 Ų | 115 | 104.5 Ų | 104.5 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -52.9 | -30.3 | -178.6 | 66.9 | -95.7 | 0 | 0 | 0 | 112.3 | A880 Y904 I909 V910 | A880-W906 HydrophobicContact CB-CH2 4.4Å; A880-W906 HydrophobicContact CB-CZ3 3.88Å; Y904-W906 PolarHBondContact O-N 3Å; W906-I909 PolarHBondContact O-N 3.49Å; W906-V910 HydrophobicContact CE3-CG2 4.18Å; W906-V910 WeakPolarHBondContact O-CB 3.44Å; W906-V910 WeakPolarHBondContact O-CG2 3.31Å; W906-V910 PolarHBondContact O-N 3.19Å |
| 907 | R | 79.8 | Confident | 66.7 | Low | 63 Ų | 63 | 99.2 Ų | 99.2 | 24% | 0.238 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.9 | -58 | 165 | -180 | -156.2 | -7 | 111.1 | A880 W883 D905 I911 | A880-R907 HydrophobicContact CB-CB 4Å; A880-R907 HydrophobicContact CB-CG 4.22Å; W883-R907 PolarHBondContact O-NH1 2.9Å; D905-R907 PolarHBondContact O-N 2.96Å; D905-R907 VanDerWaalsContact OD1-CB 3.3Å; D905-R907 WeakPolarHBondContact OD1-CB 3.33Å; D905-R907 WeakPolarHBondContact OD1-CD 3.46Å; D905-R907 VanDerWaalsContact OD1-CG 3.23Å; D905-R907 WeakPolarHBondContact OD1-CG 3.41Å; D905-R907 PolarHBondContact OD1-N 3.4Å; R907-I911 WeakPolarHBondContact O-CB 3.37Å; R907-I911 WeakPolarHBondContact O-CD1 3.5Å; R907-I911 WeakPolarHBondContact O-CG1 3.11Å; R907-I911 PolarHBondContact O-N 2.79Å |
| 908 | H | 76.2 | Confident | 68.8 | Low | 96 Ų | 96 | 93.9 Ų | 93.9 | 44% | 0.444 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68 | -35.5 | 175.7 | -93 | -76 | 0 | 0 | 0 | 112 | D905 R912 | D905-H908 PolarHBondContact O-N 2.91Å; H908-R912 WeakPolarHBondContact O-CB 3.43Å; H908-R912 VanDerWaalsContact O-CG 3.29Å; H908-R912 WeakPolarHBondContact O-CG 3.29Å; H908-R912 PolarHBondContact O-N 3.26Å |
| 909 | I | 82.7 | Confident | 71.1 | Confident | 82 Ų | 82 | 93 Ų | 93 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -50.6 | 175.5 | -60.8 | 175.1 | 0 | 0 | 0 | 110.1 | D905 W906 R912 L913 | D905-I909 PolarHBondContact O-N 3.05Å; W906-I909 PolarHBondContact O-N 3.49Å; I909-R912 PolarHBondContact O-N 2.95Å; I909-L913 WeakPolarHBondContact O-CB 3.37Å; I909-L913 PolarHBondContact O-N 3.18Å |
| 910 | V | 84.4 | Confident | 73.3 | Confident | 21 Ų | 21 | 89.4 Ų | 89.4 | 13% | 0.127 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | D877 A880 W906 R912 L913 Y914 | D877-V910 HydrophobicContact CB-CG1 4.05Å; A880-V910 HydrophobicContact CB-CG1 4.47Å; W906-V910 HydrophobicContact CE3-CG2 4.18Å; W906-V910 WeakPolarHBondContact O-CB 3.44Å; W906-V910 WeakPolarHBondContact O-CG2 3.31Å; W906-V910 PolarHBondContact O-N 3.19Å; V910-R912 VanDerWaalsContact C-N 3.29Å; V910-R912 PolarHBondContact O-N 3.46Å; V910-L913 PolarHBondContact O-N 3.17Å; V910-L913 VanDerWaalsContact O-N 3.12Å; V910-Y914 WeakPolarHBondContact O-CB 3.4Å; V910-Y914 PolarHBondContact O-N 3.39Å |
| 911 | I | 79.9 | Confident | 75.4 | Confident | 26 Ų | 26 | 88.8 Ų | 88.8 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | 179.4 | -68.6 | 165.7 | 0 | 0 | 0 | 111.6 | A880 R907 G915 | A880-I911 HydrophobicContact CB-CD1 4.1Å; A880-I911 HydrophobicContact CB-CG1 4.1Å; R907-I911 WeakPolarHBondContact O-CB 3.37Å; R907-I911 WeakPolarHBondContact O-CD1 3.5Å; R907-I911 WeakPolarHBondContact O-CG1 3.11Å; R907-I911 PolarHBondContact O-N 2.79Å; I911-G915 WeakPolarHBondContact O-CA 3.27Å; I911-G915 PolarHBondContact O-N 3Å |
| 912 | R | 81.6 | Confident | 77.3 | Confident | 144 Ų | 144 | 82 Ų | 82 | 54% | 0.543 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.9 | -42.7 | 169.7 | -77.3 | 179.8 | -175.9 | 143.6 | 2.3 | 112.2 | H908 I909 V910 G915 K916 | H908-R912 WeakPolarHBondContact O-CB 3.43Å; H908-R912 VanDerWaalsContact O-CG 3.29Å; H908-R912 WeakPolarHBondContact O-CG 3.29Å; H908-R912 PolarHBondContact O-N 3.26Å; I909-R912 PolarHBondContact O-N 2.95Å; V910-R912 VanDerWaalsContact C-N 3.29Å; V910-R912 PolarHBondContact O-N 3.46Å; R912-G915 CarbonylContact O-C 3.51Å; R912-G915 WeakPolarHBondContact O-CA 3.34Å; R912-G915 PolarHBondContact O-N 3.4Å; R912-G915 VanDerWaalsContact O-N 3.16Å; R912-K916 PolarHBondContact O-N 2.76Å |
| 913 | L | 84.2 | Confident | 78.9 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 45% | 0.45 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.7 | -52.9 | -178.2 | -178.8 | 59.8 | 0 | 0 | 0 | 111.3 | L873 I909 V910 G915 K916 L917 | L873-L913 HydrophobicContact CD1-CD2 3.94Å; L873-L913 HydrophobicContact CD1-CG 4.06Å; I909-L913 WeakPolarHBondContact O-CB 3.37Å; I909-L913 PolarHBondContact O-N 3.18Å; V910-L913 PolarHBondContact O-N 3.17Å; V910-L913 VanDerWaalsContact O-N 3.12Å; L913-G915 PolarHBondContact O-N 2.95Å; L913-K916 PolarHBondContact O-N 3.46Å; L913-L917 HydrophobicContact CD1-CD1 3.87Å; L913-L917 HydrophobicContact CD1-CG 4.37Å; L913-L917 HydrophobicContact CG-CD1 3.94Å; L913-L917 WeakPolarHBondContact O-CG 3.4Å; L913-L917 PolarHBondContact O-N 3.17Å |
| 914 | Y | 83.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -52.9 | -45.1 | 167.7 | 176.9 | -84.7 | 0 | 0 | 0 | 110.6 | L802 R819 L874 D877 V910 K916 L917 F918 | L802-Y914 PolarHBondContact O-OH 3.39Å; R819-Y914 VanDerWaalsContact NH2-CE1 3.27Å; L874-Y914 HydrophobicContact CD2-CD2 4.25Å; L874-Y914 HydrophobicContact CD2-CE2 3.73Å; D877-Y914 HydrophobicContact CB-CD2 3.96Å; D877-Y914 HydrophobicContact CB-CG 4.01Å; V910-Y914 WeakPolarHBondContact O-CB 3.4Å; V910-Y914 PolarHBondContact O-N 3.39Å; Y914-K916 VanDerWaalsContact C-N 3.32Å; Y914-K916 PolarHBondContact O-N 3.43Å; Y914-L917 PolarHBondContact O-N 3.03Å; Y914-F918 HydrophobicContact CD1-CB 4.47Å; Y914-F918 AromaticContact CD2-CD2 3.61Å; Y914-F918 HydrophobicContact CD2-CD2 3.61Å; Y914-F918 AromaticContact CD2-CE2 3.85Å; Y914-F918 HydrophobicContact CD2-CE2 3.85Å; Y914-F918 HydrophobicContact CD2-CG 4.22Å; Y914-F918 HydrophobicContact CE1-CB 4.08Å; Y914-F918 HydrophobicContact CE1-CD2 4.49Å; Y914-F918 HydrophobicContact CE1-CG 4.19Å; Y914-F918 HydrophobicContact CE2-CB 4.48Å; Y914-F918 HydrophobicContact CE2-CD1 4.04Å; Y914-F918 AromaticContact CE2-CD2 3.5Å; Y914-F918 HydrophobicContact CE2-CD2 3.5Å; Y914-F918 VanDerWaalsContact CE2-CD2 3.5Å; Y914-F918 HydrophobicContact CE2-CE1 4.2Å; Y914-F918 AromaticContact CE2-CE2 3.66Å; Y914-F918 HydrophobicContact CE2-CE2 3.66Å; Y914-F918 AromaticContact CE2-CG 3.73Å; Y914-F918 HydrophobicContact CE2-CG 3.73Å; Y914-F918 HydrophobicContact CE2-CZ 4.03Å; Y914-F918 HydrophobicContact CG-CD2 4.17Å; Y914-F918 AromaticContact CZ-CD1 3.96Å; Y914-F918 AromaticContact CZ-CD2 3.97Å; Y914-F918 AromaticContact CZ-CG 3.72Å; Y914-F918 WeakPolarHBondContact O-CB 3.35Å; Y914-F918 PolarHBondContact O-N 2.77Å |
| 915 | G | 79.5 | Confident | 82 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.8 | -33.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | I911 R912 L913 R919 | I911-G915 WeakPolarHBondContact O-CA 3.27Å; I911-G915 PolarHBondContact O-N 3Å; R912-G915 CarbonylContact O-C 3.51Å; R912-G915 WeakPolarHBondContact O-CA 3.34Å; R912-G915 PolarHBondContact O-N 3.4Å; R912-G915 VanDerWaalsContact O-N 3.16Å; L913-G915 PolarHBondContact O-N 2.95Å; G915-R919 WeakPolarHBondContact O-CG 3.33Å |
| 916 | K | 82.6 | Confident | 82.4 | Confident | 156 Ų | 156 | 67.9 Ų | 67.9 | 68% | 0.678 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -78.3 | -50.1 | 173.1 | -75.9 | -167.9 | 172.3 | -166.5 | 0 | 111.4 | R912 L913 Y914 F918 R919 | R912-K916 PolarHBondContact O-N 2.76Å; L913-K916 PolarHBondContact O-N 3.46Å; Y914-K916 VanDerWaalsContact C-N 3.32Å; Y914-K916 PolarHBondContact O-N 3.43Å; K916-F918 VanDerWaalsContact C-N 3.33Å; K916-F918 PolarHBondContact O-N 2.74Å; K916-R919 WeakPolarHBondContact O-CB 3.38Å; K916-R919 WeakPolarHBondContact O-CG 3.23Å; K916-R919 PolarHBondContact O-N 3.02Å |
| 917 | L | 80.8 | Confident | 82.3 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | -175.3 | -67.1 | 167.2 | 0 | 0 | 0 | 112.7 | L873 L913 Y914 R923 I926 | L873-L917 HydrophobicContact CD2-CD1 3.47Å; L873-L917 VanDerWaalsContact CD2-CD1 3.47Å; L913-L917 HydrophobicContact CD1-CD1 3.87Å; L913-L917 HydrophobicContact CD1-CG 4.37Å; L913-L917 HydrophobicContact CG-CD1 3.94Å; L913-L917 WeakPolarHBondContact O-CG 3.4Å; L913-L917 PolarHBondContact O-N 3.17Å; Y914-L917 PolarHBondContact O-N 3.03Å; L917-R923 WeakPolarHBondContact O-CA 3.33Å; L917-R923 PolarHBondContact O-N 2.87Å; L917-I926 HydrophobicContact CB-CD1 4.38Å; L917-I926 HydrophobicContact CD2-CD1 3.68Å |
| 918 | F | 79.6 | Confident | 82.4 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 13% | 0.127 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 5.4 | -179.6 | -79.7 | -104.5 | 0 | 0 | 0 | 115 | L802 P822 L870 L874 Y914 K916 R923 | L802-F918 HydrophobicContact CD1-CD1 4.15Å; P822-F918 HydrophobicContact CB-CE1 3.99Å; P822-F918 HydrophobicContact CB-CZ 4.43Å; P822-F918 HydrophobicContact CG-CE1 4.09Å; L870-F918 HydrophobicContact CD1-CE2 4.41Å; L870-F918 HydrophobicContact CD1-CZ 4.33Å; L874-F918 HydrophobicContact CD2-CE2 4.23Å; L874-F918 HydrophobicContact CD2-CZ 3.87Å; Y914-F918 HydrophobicContact CD1-CB 4.47Å; Y914-F918 AromaticContact CD2-CD2 3.61Å; Y914-F918 HydrophobicContact CD2-CD2 3.61Å; Y914-F918 AromaticContact CD2-CE2 3.85Å; Y914-F918 HydrophobicContact CD2-CE2 3.85Å; Y914-F918 HydrophobicContact CD2-CG 4.22Å; Y914-F918 HydrophobicContact CE1-CB 4.08Å; Y914-F918 HydrophobicContact CE1-CD2 4.49Å; Y914-F918 HydrophobicContact CE1-CG 4.19Å; Y914-F918 HydrophobicContact CE2-CB 4.48Å; Y914-F918 HydrophobicContact CE2-CD1 4.04Å; Y914-F918 AromaticContact CE2-CD2 3.5Å; Y914-F918 HydrophobicContact CE2-CD2 3.5Å; Y914-F918 VanDerWaalsContact CE2-CD2 3.5Å; Y914-F918 HydrophobicContact CE2-CE1 4.2Å; Y914-F918 AromaticContact CE2-CE2 3.66Å; Y914-F918 HydrophobicContact CE2-CE2 3.66Å; Y914-F918 AromaticContact CE2-CG 3.73Å; Y914-F918 HydrophobicContact CE2-CG 3.73Å; Y914-F918 HydrophobicContact CE2-CZ 4.03Å; Y914-F918 HydrophobicContact CG-CD2 4.17Å; Y914-F918 AromaticContact CZ-CD1 3.96Å; Y914-F918 AromaticContact CZ-CD2 3.97Å; Y914-F918 AromaticContact CZ-CG 3.72Å; Y914-F918 WeakPolarHBondContact O-CB 3.35Å; Y914-F918 PolarHBondContact O-N 2.77Å; K916-F918 VanDerWaalsContact C-N 3.33Å; K916-F918 PolarHBondContact O-N 2.74Å; F918-R923 HydrophobicContact CD1-CG 3.99Å; F918-R923 HydrophobicContact CE1-CG 4.35Å; F918-R923 HydrophobicContact CG-CG 4.45Å; F918-R923 PolarHBondContact O-NH1 2.81Å; F918-R923 VanDerWaalsContact O-NH1 3.15Å |
| 919 | R | 82.6 | Confident | 82.7 | Confident | 169 Ų | 169 | 64 Ų | 64 | 64% | 0.638 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -54.2 | 144 | 167.6 | -70.3 | -175.8 | 91.5 | -175.8 | 6.4 | 109.6 | G915 K916 N921 S922 R923 | G915-R919 WeakPolarHBondContact O-CG 3.33Å; K916-R919 WeakPolarHBondContact O-CB 3.38Å; K916-R919 WeakPolarHBondContact O-CG 3.23Å; K916-R919 PolarHBondContact O-N 3.02Å; R919-N921 PolarHBondContact O-N 3.47Å; R919-S922 PolarHBondContact O-N 3.41Å; R919-R923 VanDerWaalsContact O-CB 3.26Å; R919-R923 WeakPolarHBondContact O-CB 3.14Å; R919-R923 PolarHBondContact O-N 3.46Å |
| 920 | W | 83 | Confident | 82.7 | Confident | 24 Ų | 24 | 60.4 Ų | 60.4 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -47.9 | -49.5 | -171.6 | -176.8 | -95.4 | 0 | 0 | 0 | 114.7 | Y797 R798 N924 | Y797-W920 HydrophobicContact CD1-CH2 4.45Å; Y797-W920 HydrophobicContact CD1-CZ3 4.11Å; Y797-W920 HydrophobicContact CE1-CE3 4.29Å; Y797-W920 AromaticContact CE1-CH2 3.55Å; Y797-W920 HydrophobicContact CE1-CH2 3.55Å; Y797-W920 AromaticContact CE1-CZ3 3.38Å; Y797-W920 HydrophobicContact CE1-CZ3 3.38Å; Y797-W920 AromaticContact CZ-CZ3 3.79Å; R798-W920 HydrophobicContact CB-CB 3.95Å; R798-W920 HydrophobicContact CB-CG 4.16Å; R798-W920 HydrophobicContact CG-CB 4.11Å; R798-W920 HydrophobicContact CG-CD2 3.88Å; R798-W920 HydrophobicContact CG-CE3 4.26Å; R798-W920 HydrophobicContact CG-CG 3.75Å; W920-N924 PolarHBondContact O-N 3.45Å; W920-N924 PolarHBondContact O-ND2 3.4Å |
| 921 | N | 83.9 | Confident | 82.5 | Confident | 115 Ų | 115 | 60 Ų | 60 | 62% | 0.615 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.3 | -56 | -179.5 | -62.5 | 3.7 | 0 | 0 | 0 | 111 | R919 R923 N924 V925 | R919-N921 PolarHBondContact O-N 3.47Å; N921-R923 VanDerWaalsContact C-N 3.3Å; N921-R923 PolarHBondContact O-N 3.27Å; N921-N924 PolarHBondContact O-N 3.26Å; N921-N924 VanDerWaalsContact O-N 3.16Å; N921-V925 PolarHBondContact O-N 3.41Å |
| 922 | S | 84.7 | Confident | 82.6 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 34% | 0.336 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.5 | -44.2 | -179.1 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | R919 N924 V925 I926 | R919-S922 PolarHBondContact O-N 3.41Å; S922-N924 PolarHBondContact O-N 3.48Å; S922-V925 PolarHBondContact O-N 2.92Å; S922-I926 WeakPolarHBondContact O-CB 3.3Å; S922-I926 WeakPolarHBondContact O-CD1 3.34Å; S922-I926 VanDerWaalsContact O-CG1 3.22Å; S922-I926 WeakPolarHBondContact O-CG1 3.28Å; S922-I926 PolarHBondContact O-N 3.42Å |
| 923 | R | 83.8 | Confident | 82.5 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | -179.9 | -165.7 | 179.9 | 75.7 | -116.3 | 6.8 | 112.6 | L802 L917 F918 R919 N921 G927 S996 F997 | L802-R923 VanDerWaalsContact CD1-NE 3.34Å; L917-R923 WeakPolarHBondContact O-CA 3.33Å; L917-R923 PolarHBondContact O-N 2.87Å; F918-R923 HydrophobicContact CD1-CG 3.99Å; F918-R923 HydrophobicContact CE1-CG 4.35Å; F918-R923 HydrophobicContact CG-CG 4.45Å; F918-R923 PolarHBondContact O-NH1 2.81Å; F918-R923 VanDerWaalsContact O-NH1 3.15Å; R919-R923 VanDerWaalsContact O-CB 3.26Å; R919-R923 WeakPolarHBondContact O-CB 3.14Å; R919-R923 PolarHBondContact O-N 3.46Å; N921-R923 VanDerWaalsContact C-N 3.3Å; N921-R923 PolarHBondContact O-N 3.27Å; R923-G927 PolarHBondContact O-N 2.83Å; R923-S996 PolarHBondContact NE-O 3.04Å; R923-S996 PolarHBondContact NH2-O 3.47Å; R923-F997 HydrophobicContact CG-CD1 4.21Å; R923-F997 HydrophobicContact CG-CE1 4.04Å; R923-F997 WeakPolarHBondContact O-CD1 3.42Å; R923-F997 WeakPolarHBondContact O-CE1 3.38Å |
| 924 | N | 85.9 | Confident | 82.3 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.5 | -37.9 | 178.4 | -74 | -43 | 0 | 0 | 0 | 111.2 | W920 N921 S922 G927 V928 S998 T1001 | W920-N924 PolarHBondContact O-N 3.45Å; W920-N924 PolarHBondContact O-ND2 3.4Å; N921-N924 PolarHBondContact O-N 3.26Å; N921-N924 VanDerWaalsContact O-N 3.16Å; S922-N924 PolarHBondContact O-N 3.48Å; N924-G927 PolarHBondContact O-N 3.09Å; N924-V928 PolarHBondContact O-N 3.04Å; N924-S998 WeakPolarHBondContact OD1-CB 3.39Å; N924-S998 PolarHBondContact OD1-N 3.26Å; N924-T1001 HydrophobicContact CB-CG2 4.25Å; N924-T1001 VanDerWaalsContact O-CG2 3.25Å; N924-T1001 WeakPolarHBondContact O-CG2 3.49Å |
| 925 | V | 85.4 | Confident | 82 | Confident | 91 Ų | 91 | 50.8 Ų | 50.8 | 55% | 0.552 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.7 | -50.4 | 174.1 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | N921 S922 G927 V928 F929 | N921-V925 PolarHBondContact O-N 3.41Å; S922-V925 PolarHBondContact O-N 2.92Å; V925-G927 PolarHBondContact O-N 3.29Å; V925-V928 PolarHBondContact O-N 3.02Å; V925-F929 HydrophobicContact CG1-CE2 4.21Å; V925-F929 VanDerWaalsContact O-CD2 3.31Å; V925-F929 WeakPolarHBondContact O-CD2 3.18Å |
| 926 | I | 82.9 | Confident | 82 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 33% | 0.328 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.5 | -36.7 | 176.4 | -65.8 | 162.8 | 0 | 0 | 0 | 110.7 | L917 S922 V928 F929 I930 | L917-I926 HydrophobicContact CB-CD1 4.38Å; L917-I926 HydrophobicContact CD2-CD1 3.68Å; S922-I926 WeakPolarHBondContact O-CB 3.3Å; S922-I926 WeakPolarHBondContact O-CD1 3.34Å; S922-I926 VanDerWaalsContact O-CG1 3.22Å; S922-I926 WeakPolarHBondContact O-CG1 3.28Å; S922-I926 PolarHBondContact O-N 3.42Å; I926-V928 VanDerWaalsContact C-N 3.34Å; I926-V928 PolarHBondContact O-N 2.94Å; I926-F929 PolarHBondContact O-N 3.23Å; I926-I930 HydrophobicContact CG2-CD1 3.74Å; I926-I930 HydrophobicContact CG2-CG1 4.37Å; I926-I930 PolarHBondContact O-N 3.32Å; I926-I930 VanDerWaalsContact O-N 3.17Å |
| 927 | G | 80.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.9 | -38 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | R923 N924 V925 F929 I930 L931 | R923-G927 PolarHBondContact O-N 2.83Å; N924-G927 PolarHBondContact O-N 3.09Å; V925-G927 PolarHBondContact O-N 3.29Å; G927-F929 VanDerWaalsContact C-N 3.31Å; G927-F929 PolarHBondContact O-N 3.31Å; G927-I930 PolarHBondContact O-N 2.84Å; G927-L931 VanDerWaalsContact O-CB 3.31Å; G927-L931 WeakPolarHBondContact O-CB 3.42Å; G927-L931 WeakPolarHBondContact O-CG 3.39Å; G927-L931 PolarHBondContact O-N 2.95Å |
| 928 | V | 83.2 | Confident | 81.7 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 30% | 0.303 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.3 | -45.6 | 176.3 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | N924 V925 I926 I932 T1001 | N924-V928 PolarHBondContact O-N 3.04Å; V925-V928 PolarHBondContact O-N 3.02Å; I926-V928 VanDerWaalsContact C-N 3.34Å; I926-V928 PolarHBondContact O-N 2.94Å; V928-I932 HydrophobicContact CG1-CD1 3.73Å; V928-I932 WeakPolarHBondContact O-CB 3.5Å; V928-I932 VanDerWaalsContact O-CG1 3.27Å; V928-I932 WeakPolarHBondContact O-CG1 3.41Å; V928-I932 PolarHBondContact O-N 3.19Å; V928-T1001 HydrophobicContact CG2-CG2 3.73Å |
| 929 | F | 82.8 | Confident | 81.5 | Confident | 142 Ų | 142 | 41.5 Ų | 41.5 | 62% | 0.623 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -68.3 | -42.8 | 180 | -61.2 | -77.6 | 0 | 0 | 0 | 112.4 | V925 I926 G927 I932 L933 | V925-F929 HydrophobicContact CG1-CE2 4.21Å; V925-F929 VanDerWaalsContact O-CD2 3.31Å; V925-F929 WeakPolarHBondContact O-CD2 3.18Å; I926-F929 PolarHBondContact O-N 3.23Å; G927-F929 VanDerWaalsContact C-N 3.31Å; G927-F929 PolarHBondContact O-N 3.31Å; F929-I932 PolarHBondContact O-N 3.44Å; F929-L933 VanDerWaalsContact O-CG 3.31Å; F929-L933 WeakPolarHBondContact O-CG 3.43Å; F929-L933 PolarHBondContact O-N 2.9Å |
| 930 | I | 81.5 | Confident | 81.1 | Confident | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 176.6 | -65.2 | 163.7 | 0 | 0 | 0 | 110.6 | V866 L870 I926 G927 I932 L933 P934 F997 | V866-I930 HydrophobicContact CG1-CG1 4.42Å; L870-I930 HydrophobicContact CD2-CD1 3.67Å; L870-I930 HydrophobicContact CD2-CG1 4.44Å; I926-I930 HydrophobicContact CG2-CD1 3.74Å; I926-I930 HydrophobicContact CG2-CG1 4.37Å; I926-I930 PolarHBondContact O-N 3.32Å; I926-I930 VanDerWaalsContact O-N 3.17Å; G927-I930 PolarHBondContact O-N 2.84Å; I930-I932 VanDerWaalsContact C-N 3.3Å; I930-I932 PolarHBondContact O-N 2.99Å; I930-L933 PolarHBondContact O-N 3.2Å; I930-P934 WeakPolarHBondContact O-CD 3.41Å; I930-F997 HydrophobicContact CD1-CZ 4.17Å |
| 931 | L | 80.1 | Confident | 80.5 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.6 | -27 | -175.1 | -71 | -178.2 | 0 | 0 | 0 | 113.8 | G927 T992 F997 K1002 | G927-L931 VanDerWaalsContact O-CB 3.31Å; G927-L931 WeakPolarHBondContact O-CB 3.42Å; G927-L931 WeakPolarHBondContact O-CG 3.39Å; G927-L931 PolarHBondContact O-N 2.95Å; L931-T992 HydrophobicContact CB-CG2 4.31Å; L931-T992 HydrophobicContact CD1-CG2 4.31Å; L931-T992 HydrophobicContact CD2-CG2 4.33Å; L931-F997 HydrophobicContact CD1-CD2 4.14Å; L931-F997 HydrophobicContact CD2-CD2 4.38Å; L931-F997 HydrophobicContact CD2-CE2 4.35Å; L931-F997 HydrophobicContact CG-CD2 4.33Å; L931-F997 HydrophobicContact CG-CE2 4.4Å; L931-K1002 HydrophobicContact CD1-CB 4.34Å; L931-K1002 HydrophobicContact CD1-CG 3.88Å |
| 932 | I | 81.7 | Confident | 79.6 | Confident | 30 Ų | 30 | 27.8 Ų | 27.8 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -85.5 | -29.1 | 179.5 | -67.7 | 173.2 | 0 | 0 | 0 | 111.8 | V928 F929 I930 T935 S936 F1008 V1009 | V928-I932 HydrophobicContact CG1-CD1 3.73Å; V928-I932 WeakPolarHBondContact O-CB 3.5Å; V928-I932 VanDerWaalsContact O-CG1 3.27Å; V928-I932 WeakPolarHBondContact O-CG1 3.41Å; V928-I932 PolarHBondContact O-N 3.19Å; F929-I932 PolarHBondContact O-N 3.44Å; I930-I932 VanDerWaalsContact C-N 3.3Å; I930-I932 PolarHBondContact O-N 2.99Å; I932-T935 PolarHBondContact O-N 3.31Å; I932-T935 VanDerWaalsContact O-N 3.12Å; I932-T935 PolarHBondContact O-OG1 2.87Å; I932-S936 WeakPolarHBondContact CG2-OG 3.27Å; I932-S936 PolarHBondContact O-N 3.38Å; I932-S936 PolarHBondContact O-OG 3.18Å; I932-F1008 HydrophobicContact CD1-CD1 4.08Å; I932-V1009 HydrophobicContact CG1-CG2 3.95Å; I932-V1009 HydrophobicContact CG2-CG2 4.27Å |
| 933 | L | 80.8 | Confident | 78.6 | Confident | 22 Ų | 22 | 27.6 Ų | 27.6 | 12% | 0.115 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.1 | -47.1 | -175.1 | -86.1 | 165.7 | 0 | 0 | 0 | 115.5 | I862 A863 V866 F929 I930 T935 S936 V937 | I862-L933 HydrophobicContact CG2-CD2 4.03Å; A863-L933 HydrophobicContact CB-CB 4.44Å; A863-L933 HydrophobicContact CB-CD2 4.18Å; V866-L933 HydrophobicContact CB-CD1 3.94Å; V866-L933 HydrophobicContact CG1-CD1 3.88Å; V866-L933 HydrophobicContact CG2-CD1 4.12Å; F929-L933 VanDerWaalsContact O-CG 3.31Å; F929-L933 WeakPolarHBondContact O-CG 3.43Å; F929-L933 PolarHBondContact O-N 2.9Å; I930-L933 PolarHBondContact O-N 3.2Å; L933-T935 VanDerWaalsContact C-N 3.28Å; L933-T935 PolarHBondContact O-N 3.5Å; L933-S936 PolarHBondContact O-N 3.42Å; L933-S936 VanDerWaalsContact O-N 3.17Å; L933-V937 PolarHBondContact O-N 3.46Å; L933-V937 VanDerWaalsContact O-N 3.08Å |
| 934 | P | 79 | Confident | 77.3 | Confident | 10 Ų | 10 | 31 Ų | 31 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 178 | -22.4 | 31.6 | 0 | 0 | 0 | 112.2 | I833 I836 I930 | I833-P934 HydrophobicContact CD1-CG 4.08Å; I833-P934 HydrophobicContact CG1-CB 4.18Å; I833-P934 HydrophobicContact CG1-CG 4.03Å; I836-P934 HydrophobicContact CD1-CB 4.24Å; I930-P934 WeakPolarHBondContact O-CD 3.41Å |
| 935 | T | 78 | Confident | 75.9 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.5 | -38 | 176.2 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | I932 L933 V937 V938 L939 T985 F988 V1009 | I932-T935 PolarHBondContact O-N 3.31Å; I932-T935 VanDerWaalsContact O-N 3.12Å; I932-T935 PolarHBondContact O-OG1 2.87Å; L933-T935 VanDerWaalsContact C-N 3.28Å; L933-T935 PolarHBondContact O-N 3.5Å; T935-V937 VanDerWaalsContact C-N 3.3Å; T935-V937 PolarHBondContact O-N 2.95Å; T935-V938 PolarHBondContact O-N 3.39Å; T935-V938 VanDerWaalsContact O-N 3.1Å; T935-L939 WeakPolarHBondContact O-CB 3.3Å; T935-L939 WeakPolarHBondContact O-CG 3.39Å; T935-L939 PolarHBondContact O-N 2.91Å; T935-T985 HydrophobicContact CG2-CG2 4.16Å; T935-F988 HydrophobicContact CG2-CB 3.96Å; T935-V1009 HydrophobicContact CG2-CG1 3.96Å |
| 936 | S | 79.2 | Confident | 74.5 | Confident | 33 Ų | 33 | 28.7 Ų | 28.7 | 23% | 0.231 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -37.4 | 173.6 | -65.5 | 0 | 0 | 0 | 0 | 113.6 | I932 L933 V938 L939 S940 | I932-S936 WeakPolarHBondContact CG2-OG 3.27Å; I932-S936 PolarHBondContact O-N 3.38Å; I932-S936 PolarHBondContact O-OG 3.18Å; L933-S936 PolarHBondContact O-N 3.42Å; L933-S936 VanDerWaalsContact O-N 3.17Å; S936-V938 VanDerWaalsContact C-N 3.34Å; S936-V938 PolarHBondContact O-N 3.28Å; S936-L939 PolarHBondContact O-N 3.34Å; S936-S940 WeakPolarHBondContact O-CB 3.4Å; S936-S940 PolarHBondContact O-N 2.7Å; S936-S940 PolarHBondContact O-OG 2.74Å |
| 937 | V | 79.9 | Confident | 73.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.2 | -47.9 | 173.7 | 173 | 0 | 0 | 0 | 0 | 110.3 | I836 F856 I859 L860 A863 L933 T935 S940 | I836-V937 HydrophobicContact CG2-CG1 4.03Å; F856-V937 HydrophobicContact CE2-CG1 4.05Å; I859-V937 HydrophobicContact CG2-CG2 4.11Å; L860-V937 HydrophobicContact CD1-CG1 3.85Å; L860-V937 HydrophobicContact CD1-CG2 4.18Å; A863-V937 HydrophobicContact CB-CG2 3.74Å; L933-V937 PolarHBondContact O-N 3.46Å; L933-V937 VanDerWaalsContact O-N 3.08Å; T935-V937 VanDerWaalsContact C-N 3.3Å; T935-V937 PolarHBondContact O-N 2.95Å; V937-S940 PolarHBondContact O-N 3.26Å; V937-S940 PolarHBondContact O-OG 3.02Å |
| 938 | V | 76.5 | Confident | 71.7 | Confident | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.9 | -42.9 | 178.8 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | I836 T935 S936 S940 T941 Y942 G981 F984 F988 | I836-V938 HydrophobicContact CG2-CG2 3.67Å; T935-V938 PolarHBondContact O-N 3.39Å; T935-V938 VanDerWaalsContact O-N 3.1Å; S936-V938 VanDerWaalsContact C-N 3.34Å; S936-V938 PolarHBondContact O-N 3.28Å; V938-S940 PolarHBondContact O-N 3.46Å; V938-T941 PolarHBondContact O-N 2.93Å; V938-T941 PolarHBondContact O-OG1 2.98Å; V938-T941 VanDerWaalsContact O-OG1 3.09Å; V938-Y942 WeakPolarHBondContact O-CD1 3.18Å; V938-G981 WeakPolarHBondContact CG1-O 3.39Å; V938-F984 HydrophobicContact CG1-CB 4.16Å; V938-F988 HydrophobicContact CG2-CD2 4.15Å; V938-F988 HydrophobicContact CG2-CE2 4.27Å |
| 939 | L | 75.2 | Confident | 69.8 | Low | 17 Ų | 17 | 42 Ų | 42 | 9% | 0.089 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -32.1 | 175.6 | -66.6 | 167.2 | 0 | 0 | 0 | 111.8 | T935 S936 Y942 S943 T985 L1012 L1016 | T935-L939 WeakPolarHBondContact O-CB 3.3Å; T935-L939 WeakPolarHBondContact O-CG 3.39Å; T935-L939 PolarHBondContact O-N 2.91Å; S936-L939 PolarHBondContact O-N 3.34Å; L939-Y942 HydrophobicContact CD2-CE1 4.46Å; L939-Y942 WeakPolarHBondContact CD2-OH 3.3Å; L939-S943 PolarHBondContact O-OG 3.01Å; L939-T985 HydrophobicContact CD2-CG2 3.75Å; L939-T985 HydrophobicContact CG-CG2 4.13Å; L939-L1012 HydrophobicContact CD1-CD2 4.12Å; L939-L1016 HydrophobicContact CD2-CD1 4.32Å |
| 940 | S | 75.4 | Confident | 68 | Low | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -79.2 | -25.3 | -175.6 | 72.5 | 0 | 0 | 0 | 0 | 115.3 | F856 S936 V937 V938 | F856-S940 WeakPolarHBondContact CD2-OG 3.41Å; S936-S940 WeakPolarHBondContact O-CB 3.4Å; S936-S940 PolarHBondContact O-N 2.7Å; S936-S940 PolarHBondContact O-OG 2.74Å; V937-S940 PolarHBondContact O-N 3.26Å; V937-S940 PolarHBondContact O-OG 3.02Å; V938-S940 PolarHBondContact O-N 3.46Å |
| 941 | T | 70.2 | Confident | 66.2 | Low | 9 Ų | 9 | 46.4 Ų | 46.4 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.9 | -44 | -177.4 | 56 | 0 | 0 | 0 | 0 | 112.7 | C840 F856 V938 S943 | C840-T941 HydrophobicContact CB-CG2 3.87Å; F856-T941 HydrophobicContact CD2-CG2 3.41Å; F856-T941 VanDerWaalsContact CD2-CG2 3.41Å; F856-T941 HydrophobicContact CE2-CG2 3.38Å; F856-T941 HydrophobicContact CG-CG2 4.22Å; F856-T941 HydrophobicContact CZ-CG2 4.17Å; V938-T941 PolarHBondContact O-N 2.93Å; V938-T941 PolarHBondContact O-OG1 2.98Å; V938-T941 VanDerWaalsContact O-OG1 3.09Å; T941-S943 VanDerWaalsContact C-N 3.32Å; T941-S943 PolarHBondContact O-N 3.35Å |
| 942 | Y | 64.6 | Low | 64.3 | Low | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -6.9 | -175.8 | 64.4 | -110.4 | 0 | 0 | 0 | 113.5 | V938 L939 Y944 C945 L946 L1016 | V938-Y942 WeakPolarHBondContact O-CD1 3.18Å; L939-Y942 HydrophobicContact CD2-CE1 4.46Å; L939-Y942 WeakPolarHBondContact CD2-OH 3.3Å; Y942-Y944 PolarHBondContact O-N 2.88Å; Y942-Y944 VanDerWaalsContact O-N 3.1Å; Y942-C945 WeakPolarHBondContact O-CA 3.46Å; Y942-C945 WeakPolarHBondContact O-CB 3.27Å; Y942-C945 PolarHBondContact O-N 2.85Å; Y942-L946 HydrophobicContact CD2-CD1 3.73Å; Y942-L946 HydrophobicContact CD2-CG 3.93Å; Y942-L946 HydrophobicContact CE2-CD1 3.66Å; Y942-L946 HydrophobicContact CE2-CG 4.34Å; Y942-L946 PolarHBondContact O-N 3.21Å; Y942-L946 VanDerWaalsContact O-N 3.13Å; Y942-L1016 HydrophobicContact CE2-CD1 4.22Å; Y942-L1016 WeakPolarHBondContact OH-CD1 3.24Å |
| 943 | S | 63.5 | Low | 62.2 | Low | 43 Ų | 43 | 55.7 Ų | 55.7 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -54.7 | -32 | 178.3 | -70.1 | 0 | 0 | 0 | 0 | 112.2 | L939 T941 L946 F947 | L939-S943 PolarHBondContact O-OG 3.01Å; T941-S943 VanDerWaalsContact C-N 3.32Å; T941-S943 PolarHBondContact O-N 3.35Å; S943-L946 PolarHBondContact O-N 2.97Å; S943-F947 WeakPolarHBondContact O-CD2 3.24Å; S943-F947 PolarHBondContact O-N 2.8Å |
| 944 | Y | 57.1 | Low | 60.3 | Low | 86 Ų | 86 | 57.6 Ų | 57.6 | 34% | 0.337 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 171.5 | -174.7 | -100.7 | 0 | 0 | 0 | 113.6 | N852 T853 Y942 L946 N948 | N852-Y944 HydrophobicContact CB-CD2 4.24Å; N852-Y944 HydrophobicContact CB-CE2 3.59Å; T853-Y944 HydrophobicContact CG2-CD2 3.59Å; T853-Y944 HydrophobicContact CG2-CE2 4.44Å; T853-Y944 HydrophobicContact CG2-CG 3.76Å; Y942-Y944 PolarHBondContact O-N 2.88Å; Y942-Y944 VanDerWaalsContact O-N 3.1Å; Y944-L946 VanDerWaalsContact C-N 3.31Å; Y944-N948 HydrophobicContact CD2-CB 4.16Å; Y944-N948 HydrophobicContact CE2-CB 3.9Å; Y944-N948 WeakPolarHBondContact CE2-ND2 3.47Å; Y944-N948 VanDerWaalsContact CZ-ND2 3.28Å; Y944-N948 WeakPolarHBondContact O-CB 3.5Å; Y944-N948 PolarHBondContact O-N 3.47Å; Y944-N948 VanDerWaalsContact O-N 3.12Å; Y944-N948 PolarHBondContact OH-ND2 2.99Å |
| 945 | C | 56.8 | Low | 58.3 | Low | 38 Ų | 38 | 62.1 Ų | 62.1 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -75.6 | -19.4 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 112.8 | Y942 | Y942-C945 WeakPolarHBondContact O-CA 3.46Å; Y942-C945 WeakPolarHBondContact O-CB 3.27Å; Y942-C945 PolarHBondContact O-N 2.85Å |
| 946 | L | 56.3 | Low | 56.5 | Low | 21 Ų | 21 | 69.4 Ų | 69.4 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -79.3 | -34.9 | 174.7 | -70.4 | -177.9 | 0 | 0 | 0 | 113.5 | Y942 S943 Y944 L1016 H1020 | Y942-L946 HydrophobicContact CD2-CD1 3.73Å; Y942-L946 HydrophobicContact CD2-CG 3.93Å; Y942-L946 HydrophobicContact CE2-CD1 3.66Å; Y942-L946 HydrophobicContact CE2-CG 4.34Å; Y942-L946 PolarHBondContact O-N 3.21Å; Y942-L946 VanDerWaalsContact O-N 3.13Å; S943-L946 PolarHBondContact O-N 2.97Å; Y944-L946 VanDerWaalsContact C-N 3.31Å; L946-L1016 HydrophobicContact CD1-CD2 4.01Å; L946-H1020 HydrophobicContact CD2-CB 3.56Å; L946-H1020 WeakPolarHBondContact CD2-ND1 3.21Å |
| 947 | F | 54.7 | Low | 54.6 | Low | 136 Ų | 136 | 74.8 Ų | 74.8 | 60% | 0.596 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -123.7 | -15.4 | -161.8 | -66.3 | -64.4 | 0 | 0 | 0 | 116 | S943 L1019 L1023 | S943-F947 WeakPolarHBondContact O-CD2 3.24Å; S943-F947 PolarHBondContact O-N 2.8Å; F947-L1019 HydrophobicContact CZ-CD2 4.38Å; F947-L1023 HydrophobicContact CE1-CD1 4.35Å |
| 948 | N | 48.9 | Very low | 52.8 | Low | 81 Ų | 81 | 77.3 Ų | 77.3 | 43% | 0.433 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -90.6 | 148 | -176.8 | -157.6 | 16.8 | 0 | 0 | 0 | 114 | Y944 Y950 | Y944-N948 HydrophobicContact CD2-CB 4.16Å; Y944-N948 HydrophobicContact CE2-CB 3.9Å; Y944-N948 WeakPolarHBondContact CE2-ND2 3.47Å; Y944-N948 VanDerWaalsContact CZ-ND2 3.28Å; Y944-N948 WeakPolarHBondContact O-CB 3.5Å; Y944-N948 PolarHBondContact O-N 3.47Å; Y944-N948 VanDerWaalsContact O-N 3.12Å; Y944-N948 PolarHBondContact OH-ND2 2.99Å; N948-Y950 PolarHBondContact O-N 3.01Å |
| 949 | K | 43.2 | Very low | 51.3 | Low | 177 Ų | 177 | 80.5 Ų | 80.5 | 77% | 0.77 | 43% | 0.43 | S | S | * | . | trans | -59.5 | 110.1 | -171.4 | -74.6 | 176.9 | 170.3 | 178.6 | 0 | 113.7 | ||||
| 950 | Y | 45.3 | Very low | 49.8 | Very low | 172 Ų | 172 | 87.2 Ų | 87.2 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | trans | -140.6 | 40.3 | 139.4 | -87 | -34.9 | 0 | 0 | 0 | 112.5 | N948 P952 Y967 | N948-Y950 PolarHBondContact O-N 3.01Å; Y950-P952 VanDerWaalsContact O-CD 3.24Å; Y950-P952 WeakPolarHBondContact O-CD 3.28Å; Y950-Y967 VanDerWaalsContact CB-OH 3.28Å; Y950-Y967 WeakPolarHBondContact CB-OH 3.32Å; Y950-Y967 AromaticContact CD1-CE2 3.58Å; Y950-Y967 HydrophobicContact CD1-CE2 3.58Å; Y950-Y967 AromaticContact CD1-CZ 3.7Å; Y950-Y967 WeakPolarHBondContact CD1-OH 3.32Å; Y950-Y967 HydrophobicContact CD2-CE2 4.21Å; Y950-Y967 AromaticContact CE1-CE2 3.76Å; Y950-Y967 HydrophobicContact CE1-CE2 3.76Å; Y950-Y967 HydrophobicContact CE2-CE2 4.37Å; Y950-Y967 AromaticContact CG-CE2 3.83Å; Y950-Y967 HydrophobicContact CG-CE2 3.83Å; Y950-Y967 AromaticContact CG-CZ 3.79Å; Y950-Y967 PolarHBondContact O-OH 2.84Å | ||
| 951 | T | 44 | Very low | 48.2 | Very low | 70 Ų | 70 | 92.3 Ų | 92.3 | 43% | 0.429 | 49% | 0.492 | S | S | . | . | trans | -89.2 | 101.5 | 148.1 | -33 | 0 | 0 | 0 | 0 | 107.1 | C1027 | T951-C1027 HydrophobicContact CG2-CB 3.84Š| ||
| 952 | P | 39.8 | Very low | 47.1 | Very low | 64 Ų | 64 | 100.9 Ų | 100.9 | 42% | 0.416 | 53% | 0.531 | S | S | . | . | trans | -71.9 | 128.5 | 163.9 | 28.6 | -26.1 | 0 | 0 | 0 | 107.5 | Y950 I954 Y967 | Y950-P952 VanDerWaalsContact O-CD 3.24Å; Y950-P952 WeakPolarHBondContact O-CD 3.28Å; P952-I954 VanDerWaalsContact C-N 3.27Å; P952-I954 HydrophobicContact CB-CG1 4.03Å; P952-I954 HydrophobicContact CG-CD1 4.2Å; P952-I954 HydrophobicContact CG-CG1 3.82Å; P952-I954 PolarHBondContact O-N 2.88Å; P952-Y967 WeakPolarHBondContact CD-OH 3.38Å | ||
| 953 | L | 37.5 | Very low | 46.1 | Very low | 171 Ų | 171 | 109.1 Ų | 109.1 | 90% | 0.895 | 57% | 0.567 | S | S | * | * | trans | -70 | 95.7 | 157.6 | -174.6 | 75.8 | 0 | 0 | 0 | 105.4 | T955 | L953-T955 PolarHBondContact O-N 3.36Š| ||
| 954 | I | 41 | Very low | 45.4 | Very low | 62 Ų | 62 | 110.4 Ų | 110.4 | 32% | 0.318 | 57% | 0.57 | S | S | . | * | trans | -68.2 | 103.9 | -171.8 | -69.6 | 175.9 | 0 | 0 | 0 | 109.2 | P952 A958 | P952-I954 VanDerWaalsContact C-N 3.27Å; P952-I954 HydrophobicContact CB-CG1 4.03Å; P952-I954 HydrophobicContact CG-CD1 4.2Å; P952-I954 HydrophobicContact CG-CG1 3.82Å; P952-I954 PolarHBondContact O-N 2.88Å; I954-A958 HydrophobicContact CG2-CB 4.36Å | ||
| 955 | T | 36.5 | Very low | 44.9 | Very low | 105 Ų | 105 | 108.4 Ų | 108.4 | 64% | 0.644 | 57% | 0.571 | S | S | * | * | trans | -63.7 | 130.4 | 154.6 | 48.2 | 0 | 0 | 0 | 0 | 108 | L953 D957 A958 | L953-T955 PolarHBondContact O-N 3.36Å; T955-D957 PolarHBondContact O-N 2.84Å; T955-A958 PolarHBondContact O-N 2.91Å; T955-A958 VanDerWaalsContact O-N 3.15Å | ||
| 956 | L | 41.3 | Very low | 44.4 | Very low | 155 Ų | 155 | 114.2 Ų | 114.2 | 81% | 0.812 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -53.9 | -31.3 | -161 | -160.7 | 65.6 | 0 | 0 | 0 | 114.7 | A958 | L956-A958 PolarHBondContact O-N 3.45Å; L956-A958 VanDerWaalsContact O-N 3.14Å |
| 957 | D | 38.4 | Very low | 44.1 | Very low | 146 Ų | 146 | 116.3 Ų | 116.3 | 78% | 0.781 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -62.5 | -16.6 | -178.6 | -60 | -32.7 | 0 | 0 | 0 | 115.4 | T955 A959 | T955-D957 PolarHBondContact O-N 2.84Å; D957-A959 VanDerWaalsContact C-N 3.31Å; D957-A959 PolarHBondContact O-N 2.95Å |
| 958 | A | 43 | Very low | 43.9 | Very low | 54 Ų | 54 | 113 Ų | 113 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -70.6 | -24.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I954 T955 L956 L960 | I954-A958 HydrophobicContact CG2-CB 4.36Å; T955-A958 PolarHBondContact O-N 2.91Å; T955-A958 VanDerWaalsContact O-N 3.15Å; L956-A958 PolarHBondContact O-N 3.45Å; L956-A958 VanDerWaalsContact O-N 3.14Å; A958-L960 PolarHBondContact O-N 3.5Å |
| 959 | A | 44.2 | Very low | 44.1 | Very low | 73 Ų | 73 | 110.2 Ų | 110.2 | 60% | 0.603 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -75.9 | 14 | -164 | 0 | 0 | 0 | 0 | 0 | 116.4 | D957 | D957-A959 VanDerWaalsContact C-N 3.31Å; D957-A959 PolarHBondContact O-N 2.95Å |
| 960 | L | 44.5 | Very low | 44.6 | Very low | 158 Ų | 158 | 106.9 Ų | 106.9 | 83% | 0.827 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -121.9 | 7.7 | -170.5 | -87.5 | 164.4 | 0 | 0 | 0 | 115 | A958 | A958-L960 PolarHBondContact O-N 3.5Š|
| 961 | N | 41 | Very low | 45 | Very low | 116 Ų | 116 | 102 Ų | 102 | 62% | 0.62 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -121.4 | 133.8 | -175.8 | -90.7 | -73.8 | 0 | 0 | 0 | 113.9 | K963 | N961-K963 PolarHBondContact O-N 3.03Š|
| 962 | H | 46.7 | Very low | 45.6 | Very low | 188 Ų | 188 | 99.2 Ų | 99.2 | 87% | 0.87 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 7.8 | -173.4 | -100.1 | -85.2 | 0 | 0 | 0 | 117.9 | ||
| 963 | K | 43.8 | Very low | 46.7 | Very low | 176 Ų | 176 | 99.6 Ų | 99.6 | 77% | 0.765 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -18.3 | -177.8 | -69.3 | 180 | 178.4 | 173.4 | 0 | 113.8 | N961 A965 Y966 | N961-K963 PolarHBondContact O-N 3.03Å; K963-A965 VanDerWaalsContact C-N 3.31Å; K963-A965 PolarHBondContact O-N 3.02Å; K963-Y966 PolarHBondContact O-N 2.76Å |
| 964 | D | 48.4 | Very low | 47.8 | Very low | 69 Ų | 69 | 92.8 Ų | 92.8 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -35.5 | -172.4 | -69.1 | -8.2 | 0 | 0 | 0 | 114.2 | Y966 Y967 Y968 | D964-Y966 PolarHBondContact O-N 3.19Å; D964-Y967 WeakPolarHBondContact O-CB 3.37Å; D964-Y967 PolarHBondContact O-N 2.95Å; D964-Y968 HydrophobicContact CB-CD2 4.23Å; D964-Y968 HydrophobicContact CB-CE2 4.03Å; D964-Y968 VanDerWaalsContact O-CD2 3.26Å; D964-Y968 WeakPolarHBondContact O-CD2 3.3Å; D964-Y968 PolarHBondContact O-N 3.05Å; D964-Y968 VanDerWaalsContact O-N 3.07Å |
| 965 | A | 47.9 | Very low | 48.8 | Very low | 44 Ų | 44 | 91 Ų | 91 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.5 | -36.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | K963 S969 L1062 | K963-A965 VanDerWaalsContact C-N 3.31Å; K963-A965 PolarHBondContact O-N 3.02Å; A965-S969 PolarHBondContact O-N 2.94Å; A965-L1062 HydrophobicContact CB-CD1 3.88Å |
| 966 | Y | 46.3 | Very low | 50.2 | Low | 161 Ų | 161 | 86.4 Ų | 86.4 | 63% | 0.631 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -72.9 | -35.9 | 177.5 | -134.8 | -92.6 | 0 | 0 | 0 | 111.7 | K963 D964 S969 H970 | K963-Y966 PolarHBondContact O-N 2.76Å; D964-Y966 PolarHBondContact O-N 3.19Å; Y966-S969 WeakPolarHBondContact O-CB 3.39Å; Y966-S969 PolarHBondContact O-N 2.87Å; Y966-H970 AromaticContact CD1-CD2 3.7Å; Y966-H970 AromaticContact CD1-NE2 3.74Å; Y966-H970 AromaticContact CE1-NE2 3.57Å; Y966-H970 PolarHBondContact O-CD2 2.75Å; Y966-H970 PolarHBondContact O-N 2.76Å; Y966-H970 VanDerWaalsContact O-N 3.14Å |
| 967 | Y | 48.8 | Very low | 51.4 | Low | 65 Ų | 65 | 80.7 Ų | 80.7 | 26% | 0.255 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.8 | -51.3 | -177.7 | -172.3 | -94.4 | 0 | 0 | 0 | 112.2 | Y950 P952 D964 S969 H970 M971 | Y950-Y967 VanDerWaalsContact CB-OH 3.28Å; Y950-Y967 WeakPolarHBondContact CB-OH 3.32Å; Y950-Y967 AromaticContact CD1-CE2 3.58Å; Y950-Y967 HydrophobicContact CD1-CE2 3.58Å; Y950-Y967 AromaticContact CD1-CZ 3.7Å; Y950-Y967 WeakPolarHBondContact CD1-OH 3.32Å; Y950-Y967 HydrophobicContact CD2-CE2 4.21Å; Y950-Y967 AromaticContact CE1-CE2 3.76Å; Y950-Y967 HydrophobicContact CE1-CE2 3.76Å; Y950-Y967 HydrophobicContact CE2-CE2 4.37Å; Y950-Y967 AromaticContact CG-CE2 3.83Å; Y950-Y967 HydrophobicContact CG-CE2 3.83Å; Y950-Y967 AromaticContact CG-CZ 3.79Å; Y950-Y967 PolarHBondContact O-OH 2.84Å; P952-Y967 WeakPolarHBondContact CD-OH 3.38Å; D964-Y967 WeakPolarHBondContact O-CB 3.37Å; D964-Y967 PolarHBondContact O-N 2.95Å; Y967-S969 VanDerWaalsContact C-N 3.25Å; Y967-S969 PolarHBondContact O-N 3.36Å; Y967-H970 PolarHBondContact O-N 2.98Å; Y967-H970 VanDerWaalsContact O-N 3.14Å; Y967-M971 PolarHBondContact O-N 3.28Å; Y967-M971 VanDerWaalsContact O-N 3.07Å |
| 968 | Y | 51.2 | Low | 52.7 | Low | 65 Ų | 65 | 74.1 Ų | 74.1 | 26% | 0.255 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.1 | -33.9 | 176.3 | -70.7 | -70.2 | 0 | 0 | 0 | 112.1 | D964 M971 F972 | D964-Y968 HydrophobicContact CB-CD2 4.23Å; D964-Y968 HydrophobicContact CB-CE2 4.03Å; D964-Y968 VanDerWaalsContact O-CD2 3.26Å; D964-Y968 WeakPolarHBondContact O-CD2 3.3Å; D964-Y968 PolarHBondContact O-N 3.05Å; D964-Y968 VanDerWaalsContact O-N 3.07Å; Y968-M971 HydrophobicContact CD1-CE 4.1Å; Y968-M971 HydrophobicContact CE1-CE 4.49Å; Y968-M971 PolarHBondContact O-N 3.04Å; Y968-F972 WeakPolarHBondContact O-CB 3.44Å; Y968-F972 PolarHBondContact O-N 3.4Å |
| 969 | S | 52.2 | Low | 53.9 | Low | 23 Ų | 23 | 73 Ų | 73 | 16% | 0.161 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -48.5 | 172.5 | -154.2 | 0 | 0 | 0 | 0 | 111.9 | A965 Y966 Y967 M971 F972 Y973 | A965-S969 PolarHBondContact O-N 2.94Å; Y966-S969 WeakPolarHBondContact O-CB 3.39Å; Y966-S969 PolarHBondContact O-N 2.87Å; Y967-S969 VanDerWaalsContact C-N 3.25Å; Y967-S969 PolarHBondContact O-N 3.36Å; S969-M971 PolarHBondContact O-N 3.36Å; S969-F972 WeakPolarHBondContact O-CB 3.44Å; S969-F972 PolarHBondContact O-N 2.88Å; S969-Y973 WeakPolarHBondContact O-CD2 3.33Å; S969-Y973 PolarHBondContact O-N 3.29Å; S969-Y973 WeakPolarHBondContact OG-CE2 3.43Å |
| 970 | H | 54.1 | Low | 55.1 | Low | 108 Ų | 108 | 70.2 Ų | 70.2 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 177.8 | -87.8 | -76.4 | 0 | 0 | 0 | 113.1 | Y966 Y967 Y973 A974 | Y966-H970 AromaticContact CD1-CD2 3.7Å; Y966-H970 AromaticContact CD1-NE2 3.74Å; Y966-H970 AromaticContact CE1-NE2 3.57Å; Y966-H970 PolarHBondContact O-CD2 2.75Å; Y966-H970 PolarHBondContact O-N 2.76Å; Y966-H970 VanDerWaalsContact O-N 3.14Å; Y967-H970 PolarHBondContact O-N 2.98Å; Y967-H970 VanDerWaalsContact O-N 3.14Å; H970-Y973 PolarHBondContact O-N 2.99Å; H970-A974 WeakPolarHBondContact O-CB 3.3Å; H970-A974 PolarHBondContact O-N 3.25Å |
| 971 | M | 54.6 | Low | 56.2 | Low | 70 Ų | 70 | 63 Ų | 63 | 35% | 0.345 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.1 | -172.1 | 175 | 71.3 | 0 | 0 | 112.3 | Y967 Y968 S969 A974 T975 | Y967-M971 PolarHBondContact O-N 3.28Å; Y967-M971 VanDerWaalsContact O-N 3.07Å; Y968-M971 HydrophobicContact CD1-CE 4.1Å; Y968-M971 HydrophobicContact CE1-CE 4.49Å; Y968-M971 PolarHBondContact O-N 3.04Å; S969-M971 PolarHBondContact O-N 3.36Å; M971-A974 PolarHBondContact O-N 3.44Å; M971-T975 PolarHBondContact O-N 3.15Å; M971-T975 PolarHBondContact O-OG1 3.11Å |
| 972 | F | 57.1 | Low | 57.6 | Low | 11 Ų | 11 | 57.8 Ų | 57.8 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -52.7 | 172.1 | 179.4 | -77.7 | 0 | 0 | 0 | 110.9 | Y968 S969 A974 T975 Y976 W1035 F1064 W1067 S1068 T1072 | Y968-F972 WeakPolarHBondContact O-CB 3.44Å; Y968-F972 PolarHBondContact O-N 3.4Å; S969-F972 WeakPolarHBondContact O-CB 3.44Å; S969-F972 PolarHBondContact O-N 2.88Å; F972-A974 VanDerWaalsContact C-N 3.29Å; F972-A974 PolarHBondContact O-N 3.36Å; F972-T975 PolarHBondContact O-N 3.5Å; F972-Y976 WeakPolarHBondContact O-CB 3.41Å; F972-Y976 PolarHBondContact O-N 2.86Å; F972-W1035 HydrophobicContact CD2-CH2 4.25Å; F972-W1035 HydrophobicContact CD2-CZ2 4.1Å; F972-F1064 HydrophobicContact CG-CE1 4.41Å; F972-W1067 HydrophobicContact CE1-CH2 4.15Å; F972-W1067 AromaticContact CE1-CZ3 3.9Å; F972-W1067 HydrophobicContact CE1-CZ3 3.9Å; F972-W1067 HydrophobicContact CZ-CZ3 4.42Å; F972-S1068 VanDerWaalsContact CZ-OG 3.28Å; F972-S1068 WeakPolarHBondContact CZ-OG 3.27Å; F972-T1072 HydrophobicContact CD2-CG2 3.96Å; F972-T1072 HydrophobicContact CE2-CG2 3.46Å; F972-T1072 VanDerWaalsContact CE2-CG2 3.46Å; F972-T1072 HydrophobicContact CZ-CG2 4.48Å |
| 973 | Y | 61.1 | Low | 58.7 | Low | 71 Ų | 71 | 49.1 Ų | 49.1 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62 | -34.1 | 179.6 | -77.3 | -64.4 | 0 | 0 | 0 | 112.8 | W195 S969 H970 R977 W1067 | W195-Y973 HydrophobicContact CZ2-CD1 4.46Å; S969-Y973 WeakPolarHBondContact O-CD2 3.33Å; S969-Y973 PolarHBondContact O-N 3.29Å; S969-Y973 WeakPolarHBondContact OG-CE2 3.43Å; H970-Y973 PolarHBondContact O-N 2.99Å; Y973-R977 WeakPolarHBondContact O-CB 3.32Å; Y973-R977 WeakPolarHBondContact O-CG 3.37Å; Y973-R977 PolarHBondContact O-N 3.39Å; Y973-W1067 HydrophobicContact CD1-CH2 4.31Å; Y973-W1067 AromaticContact CE1-CH2 3.77Å; Y973-W1067 HydrophobicContact CE1-CH2 3.77Å; Y973-W1067 HydrophobicContact CE1-CZ2 4.08Å |
| 974 | A | 60.7 | Low | 59.9 | Low | 29 Ų | 29 | 41.2 Ų | 41.2 | 24% | 0.24 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -47.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H970 M971 F972 Y976 R977 A978 | H970-A974 WeakPolarHBondContact O-CB 3.3Å; H970-A974 PolarHBondContact O-N 3.25Å; M971-A974 PolarHBondContact O-N 3.44Å; F972-A974 VanDerWaalsContact C-N 3.29Å; F972-A974 PolarHBondContact O-N 3.36Å; A974-Y976 VanDerWaalsContact C-N 3.35Å; A974-Y976 PolarHBondContact O-N 3.43Å; A974-R977 PolarHBondContact O-N 3.15Å; A974-A978 PolarHBondContact O-N 2.88Å |
| 975 | T | 63.3 | Low | 61 | Low | 25 Ų | 25 | 37.9 Ų | 37.9 | 15% | 0.153 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | M971 F972 A978 Q979 Q1024 | M971-T975 PolarHBondContact O-N 3.15Å; M971-T975 PolarHBondContact O-OG1 3.11Å; F972-T975 PolarHBondContact O-N 3.5Å; T975-A978 PolarHBondContact O-N 3.32Å; T975-Q979 WeakPolarHBondContact O-CG 3.5Å; T975-Q979 PolarHBondContact O-N 3.5Å; T975-Q1024 PolarHBondContact OG1-NE2 2.85Å |
| 976 | Y | 65 | Low | 62 | Low | 8 Ų | 8 | 35.9 Ų | 35.9 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 178.9 | -169.9 | -120.9 | 0 | 0 | 0 | 113.1 | W195 F196 F972 A974 A978 Q979 I980 W1067 A1071 | W195-Y976 HydrophobicContact CH2-CD1 4.4Å; F196-Y976 HydrophobicContact CD2-CE1 4.1Å; F196-Y976 AromaticContact CE2-CE1 3.48Å; F196-Y976 HydrophobicContact CE2-CE1 3.48Å; F196-Y976 VanDerWaalsContact CE2-CE1 3.48Å; F196-Y976 AromaticContact CE2-CZ 3.72Å; F196-Y976 VanDerWaalsContact CE2-OH 3.23Å; F196-Y976 WeakPolarHBondContact CE2-OH 3.29Å; F196-Y976 HydrophobicContact CZ-CE1 4.33Å; F196-Y976 VanDerWaalsContact CZ-OH 3.3Å; F196-Y976 WeakPolarHBondContact CZ-OH 3.13Å; F972-Y976 WeakPolarHBondContact O-CB 3.41Å; F972-Y976 PolarHBondContact O-N 2.86Å; A974-Y976 VanDerWaalsContact C-N 3.35Å; A974-Y976 PolarHBondContact O-N 3.43Å; Y976-A978 VanDerWaalsContact C-N 3.34Å; Y976-A978 PolarHBondContact O-N 3.46Å; Y976-Q979 PolarHBondContact O-N 2.85Å; Y976-I980 HydrophobicContact CD1-CD1 3.69Å; Y976-I980 HydrophobicContact CD2-CD1 4.34Å; Y976-I980 HydrophobicContact CE1-CD1 3.44Å; Y976-I980 VanDerWaalsContact CE1-CD1 3.44Å; Y976-I980 HydrophobicContact CE2-CD1 4.12Å; Y976-I980 HydrophobicContact CG-CD1 4.15Å; Y976-I980 WeakPolarHBondContact O-CG1 3.35Å; Y976-I980 PolarHBondContact O-N 3.12Å; Y976-W1067 HydrophobicContact CD1-CE3 4.25Å; Y976-W1067 AromaticContact CD1-CH2 3.84Å; Y976-W1067 HydrophobicContact CD1-CH2 3.84Å; Y976-W1067 AromaticContact CD1-CZ3 3.38Å; Y976-W1067 HydrophobicContact CD1-CZ3 3.38Å; Y976-W1067 HydrophobicContact CD2-CZ3 4.26Å; Y976-W1067 HydrophobicContact CE1-CD2 4.45Å; Y976-W1067 AromaticContact CE1-CE3 3.46Å; Y976-W1067 HydrophobicContact CE1-CE3 3.46Å; Y976-W1067 VanDerWaalsContact CE1-CE3 3.46Å; Y976-W1067 AromaticContact CE1-CH2 3.67Å; Y976-W1067 HydrophobicContact CE1-CH2 3.67Å; Y976-W1067 AromaticContact CE1-CZ3 3.02Å; Y976-W1067 HydrophobicContact CE1-CZ3 3.02Å; Y976-W1067 HydrophobicContact CE2-CE3 4.09Å; Y976-W1067 AromaticContact CE2-CZ3 3.99Å; Y976-W1067 HydrophobicContact CE2-CZ3 3.99Å; Y976-W1067 AromaticContact CG-CZ3 3.98Å; Y976-W1067 HydrophobicContact CG-CZ3 3.98Å; Y976-W1067 AromaticContact CZ-CE3 3.35Å; Y976-W1067 AromaticContact CZ-CZ3 3.36Å; Y976-W1067 VanDerWaalsContact OH-CE3 3.3Å; Y976-A1071 HydrophobicContact CD2-CB 3.63Å; Y976-A1071 HydrophobicContact CE2-CB 3.59Å |
| 977 | R | 66.6 | Low | 63.1 | Low | 35 Ų | 35 | 28.9 Ų | 28.9 | 13% | 0.132 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 172.8 | -77.9 | 170.8 | 176.5 | 176.7 | -1.6 | 112.4 | W195 V843 F844 D846 Y973 A974 I980 G981 | W195-R977 HydrophobicContact CH2-CG 4.07Å; W195-R977 HydrophobicContact CZ3-CG 4.32Å; V843-R977 PolarHBondContact O-NE 3.2Å; F844-R977 HydrophobicContact CE1-CB 3.85Å; F844-R977 HydrophobicContact CZ-CB 4.34Å; D846-R977 IonicContact OD2-CZ 2.77Å; D846-R977 IonicContact OD2-NH1 3.64Å; D846-R977 PolarHBondContact OD2-NH1 3.18Å; Y973-R977 WeakPolarHBondContact O-CB 3.32Å; Y973-R977 WeakPolarHBondContact O-CG 3.37Å; Y973-R977 PolarHBondContact O-N 3.39Å; A974-R977 PolarHBondContact O-N 3.15Å; R977-I980 PolarHBondContact O-N 3.36Å; R977-G981 PolarHBondContact O-N 3.04Å |
| 978 | A | 66.5 | Low | 63.9 | Low | 7 Ų | 7 | 26.1 Ų | 26.1 | 6% | 0.058 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A974 T975 Y976 I980 G981 L982 | A974-A978 PolarHBondContact O-N 2.88Å; T975-A978 PolarHBondContact O-N 3.32Å; Y976-A978 VanDerWaalsContact C-N 3.34Å; Y976-A978 PolarHBondContact O-N 3.46Å; A978-I980 PolarHBondContact O-N 3.04Å; A978-G981 PolarHBondContact O-N 3.49Å; A978-L982 PolarHBondContact O-N 3.13Å; A978-L982 VanDerWaalsContact O-N 3.12Å |
| 979 | Q | 68.2 | Low | 64.7 | Low | 32 Ų | 32 | 23.2 Ų | 23.2 | 15% | 0.15 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.1 | -46.2 | 173.7 | -73.4 | -178.9 | -1.3 | 0 | 0 | 112.2 | T975 Y976 L982 L983 A1071 Y1080 | T975-Q979 WeakPolarHBondContact O-CG 3.5Å; T975-Q979 PolarHBondContact O-N 3.5Å; Y976-Q979 PolarHBondContact O-N 2.85Å; Q979-L982 PolarHBondContact O-N 3.28Å; Q979-L983 PolarHBondContact O-N 2.86Å; Q979-L983 VanDerWaalsContact O-N 3.11Å; Q979-A1071 PolarHBondContact NE2-O 2.83Å; Q979-Y1080 HydrophobicContact CB-CE2 4.17Å; Q979-Y1080 WeakPolarHBondContact CB-OH 3.44Å; Q979-Y1080 HydrophobicContact CG-CE2 4.26Å |
| 980 | I | 68 | Low | 65.1 | Low | 14 Ų | 14 | 22.7 Ų | 22.7 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -74.4 | -36.5 | 179.9 | -60.4 | 160.1 | 0 | 0 | 0 | 112.6 | F196 L199 Y976 R977 A978 L982 L983 F984 | F196-I980 HydrophobicContact CD2-CD1 4.09Å; F196-I980 HydrophobicContact CE2-CD1 3.66Å; L199-I980 HydrophobicContact CD1-CG2 3.94Å; Y976-I980 HydrophobicContact CD1-CD1 3.69Å; Y976-I980 HydrophobicContact CD2-CD1 4.34Å; Y976-I980 HydrophobicContact CE1-CD1 3.44Å; Y976-I980 VanDerWaalsContact CE1-CD1 3.44Å; Y976-I980 HydrophobicContact CE2-CD1 4.12Å; Y976-I980 HydrophobicContact CG-CD1 4.15Å; Y976-I980 WeakPolarHBondContact O-CG1 3.35Å; Y976-I980 PolarHBondContact O-N 3.12Å; R977-I980 PolarHBondContact O-N 3.36Å; A978-I980 PolarHBondContact O-N 3.04Å; I980-L982 PolarHBondContact O-N 2.86Å; I980-L983 WeakPolarHBondContact O-CB 3.37Å; I980-L983 PolarHBondContact O-N 3.01Å; I980-F984 HydrophobicContact CG2-CD2 4.07Å; I980-F984 HydrophobicContact CG2-CE2 4.12Å; I980-F984 WeakPolarHBondContact O-CD2 3.42Å; I980-F984 PolarHBondContact O-N 3.06Å |
| 981 | G | 69.4 | Low | 65.4 | Low | 6 Ų | 6 | 18.1 Ų | 18.1 | 6% | 0.062 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.2 | -37.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V938 R977 A978 F984 T985 | V938-G981 WeakPolarHBondContact CG1-O 3.39Å; R977-G981 PolarHBondContact O-N 3.04Å; A978-G981 PolarHBondContact O-N 3.49Å; G981-F984 WeakPolarHBondContact O-CB 3.43Å; G981-F984 PolarHBondContact O-N 2.85Å; G981-T985 PolarHBondContact O-N 2.99Å; G981-T985 PolarHBondContact O-OG1 3.28Å |
| 982 | L | 69.7 | Low | 65.6 | Low | 6 Ų | 6 | 15 Ų | 15 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -77.7 | -31.6 | 179.6 | -156 | 137.5 | 0 | 0 | 0 | 113.7 | A978 Q979 I980 F984 T985 F986 G1013 L1016 I1017 | A978-L982 PolarHBondContact O-N 3.13Å; A978-L982 VanDerWaalsContact O-N 3.12Å; Q979-L982 PolarHBondContact O-N 3.28Å; I980-L982 PolarHBondContact O-N 2.86Å; L982-F984 VanDerWaalsContact C-N 3.25Å; L982-F984 PolarHBondContact O-N 2.79Å; L982-T985 VanDerWaalsContact O-CB 3.32Å; L982-T985 WeakPolarHBondContact O-CB 3.14Å; L982-T985 PolarHBondContact O-N 3.4Å; L982-F986 HydrophobicContact CD2-CD2 4.2Å; L982-F986 HydrophobicContact CD2-CE1 3.97Å; L982-F986 HydrophobicContact CD2-CE2 3.49Å; L982-F986 VanDerWaalsContact CD2-CE2 3.49Å; L982-F986 HydrophobicContact CD2-CZ 3.35Å; L982-F986 PolarHBondContact O-N 2.94Å; L982-G1013 WeakPolarHBondContact CD1-O 3.24Å; L982-L1016 HydrophobicContact CD1-CB 4.27Å; L982-I1017 HydrophobicContact CD1-CG1 3.89Å; L982-I1017 HydrophobicContact CD2-CD1 3.6Å; L982-I1017 HydrophobicContact CD2-CG1 3.66Å; L982-I1017 HydrophobicContact CG-CG1 4.37Å |
| 983 | L | 69.6 | Low | 65.6 | Low | 7 Ų | 7 | 14.6 Ų | 14.6 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.8 | -41.3 | 163.7 | 176 | 66.8 | 0 | 0 | 0 | 111.5 | A146 L149 Q979 I980 F986 M987 Y1080 I1083 | A146-L983 HydrophobicContact CB-CB 4.46Å; A146-L983 HydrophobicContact CB-CD1 4.12Å; A146-L983 HydrophobicContact CB-CD2 3.73Å; A146-L983 HydrophobicContact CB-CG 4.32Å; L149-L983 HydrophobicContact CB-CD2 4.22Å; L149-L983 HydrophobicContact CD2-CD2 3.95Å; L149-L983 HydrophobicContact CG-CD2 4.42Å; Q979-L983 PolarHBondContact O-N 2.86Å; Q979-L983 VanDerWaalsContact O-N 3.11Å; I980-L983 WeakPolarHBondContact O-CB 3.37Å; I980-L983 PolarHBondContact O-N 3.01Å; L983-F986 PolarHBondContact O-N 2.94Å; L983-M987 WeakPolarHBondContact O-CB 3.28Å; L983-M987 PolarHBondContact O-N 3.18Å; L983-Y1080 HydrophobicContact CB-CE1 4.23Å; L983-I1083 HydrophobicContact CD1-CG2 4.28Å |
| 984 | F | 69.2 | Low | 65.8 | Low | 9 Ų | 9 | 11.3 Ų | 11.3 | 4% | 0.039 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 177.2 | -88.3 | -116.3 | 0 | 0 | 0 | 111.6 | L149 L199 V202 V938 I980 G981 L982 F986 M987 F988 | L149-F984 HydrophobicContact CD2-CE2 4.09Å; L199-F984 HydrophobicContact CB-CE2 4.06Å; L199-F984 HydrophobicContact CB-CZ 3.75Å; L199-F984 HydrophobicContact CD2-CD1 4.13Å; L199-F984 HydrophobicContact CD2-CD2 4.15Å; L199-F984 HydrophobicContact CD2-CE1 3.68Å; L199-F984 HydrophobicContact CD2-CE2 3.72Å; L199-F984 HydrophobicContact CD2-CG 4.38Å; L199-F984 HydrophobicContact CD2-CZ 3.48Å; L199-F984 VanDerWaalsContact CD2-CZ 3.48Å; L199-F984 HydrophobicContact CG-CE2 4.47Å; L199-F984 HydrophobicContact CG-CZ 4.25Å; L199-F984 VanDerWaalsContact O-CZ 3.31Å; L199-F984 WeakPolarHBondContact O-CZ 3.31Å; V202-F984 HydrophobicContact CB-CE1 4.45Å; V202-F984 HydrophobicContact CG1-CE1 4.09Å; V938-F984 HydrophobicContact CG1-CB 4.16Å; I980-F984 HydrophobicContact CG2-CD2 4.07Å; I980-F984 HydrophobicContact CG2-CE2 4.12Å; I980-F984 WeakPolarHBondContact O-CD2 3.42Å; I980-F984 PolarHBondContact O-N 3.06Å; G981-F984 WeakPolarHBondContact O-CB 3.43Å; G981-F984 PolarHBondContact O-N 2.85Å; L982-F984 VanDerWaalsContact C-N 3.25Å; L982-F984 PolarHBondContact O-N 2.79Å; F984-F986 PolarHBondContact O-N 3.47Å; F984-M987 HydrophobicContact CD1-CE 3.58Å; F984-M987 HydrophobicContact CE1-CE 3.64Å; F984-M987 HydrophobicContact CG-CE 4.13Å; F984-M987 HydrophobicContact CZ-CE 4.23Å; F984-M987 WeakPolarHBondContact O-CB 3.29Å; F984-M987 PolarHBondContact O-N 3.2Å; F984-F988 HydrophobicContact CB-CD2 4.42Å; F984-F988 HydrophobicContact CB-CE2 4.15Å; F984-F988 AromaticContact CD1-CE2 3.75Å; F984-F988 HydrophobicContact CD1-CE2 3.75Å; F984-F988 HydrophobicContact CD1-CZ 4.12Å; F984-F988 HydrophobicContact CG-CE2 4.42Å; F984-F988 WeakPolarHBondContact O-CD2 3.31Å; F984-F988 WeakPolarHBondContact O-CG 3.39Å; F984-F988 PolarHBondContact O-N 3.14Å |
| 985 | T | 71 | Confident | 65.8 | Low | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -53.8 | -52.2 | 168.4 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | T935 L939 G981 L982 M987 F988 I989 V1009 | T935-T985 HydrophobicContact CG2-CG2 4.16Å; L939-T985 HydrophobicContact CD2-CG2 3.75Å; L939-T985 HydrophobicContact CG-CG2 4.13Å; G981-T985 PolarHBondContact O-N 2.99Å; G981-T985 PolarHBondContact O-OG1 3.28Å; L982-T985 VanDerWaalsContact O-CB 3.32Å; L982-T985 WeakPolarHBondContact O-CB 3.14Å; L982-T985 PolarHBondContact O-N 3.4Å; T985-M987 PolarHBondContact O-N 3.03Å; T985-F988 PolarHBondContact O-N 3.28Å; T985-I989 PolarHBondContact O-N 3.49Å; T985-V1009 HydrophobicContact CG2-CG1 3.55Å |
| 986 | F | 70.2 | Confident | 66 | Low | 1 Ų | 1 | 9.5 Ų | 9.5 | 0% | 0.004 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 178 | -62.5 | -30.9 | 0 | 0 | 0 | 112.3 | L982 L983 F984 F988 I989 I1014 Y1080 I1083 | L982-F986 HydrophobicContact CD2-CD2 4.2Å; L982-F986 HydrophobicContact CD2-CE1 3.97Å; L982-F986 HydrophobicContact CD2-CE2 3.49Å; L982-F986 VanDerWaalsContact CD2-CE2 3.49Å; L982-F986 HydrophobicContact CD2-CZ 3.35Å; L982-F986 PolarHBondContact O-N 2.94Å; L983-F986 PolarHBondContact O-N 2.94Å; F984-F986 PolarHBondContact O-N 3.47Å; F986-F988 VanDerWaalsContact C-N 3.33Å; F986-F988 PolarHBondContact O-N 3.04Å; F986-I989 HydrophobicContact CD1-CD1 4.14Å; F986-I989 WeakPolarHBondContact O-CB 3.46Å; F986-I989 PolarHBondContact O-N 3.26Å; F986-I989 VanDerWaalsContact O-N 3.17Å; F986-I1014 HydrophobicContact CE1-CG1 4.44Å; F986-I1014 HydrophobicContact CZ-CG1 3.9Å; F986-Y1080 HydrophobicContact CE2-CD1 4.28Å; F986-I1083 HydrophobicContact CB-CG2 4.45Å; F986-I1083 HydrophobicContact CD2-CG2 3.75Å; F986-I1083 HydrophobicContact CE2-CG2 4.45Å |
| 987 | M | 68.5 | Low | 66.7 | Low | 15 Ų | 15 | 10.1 Ų | 10.1 | 7% | 0.074 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 174.9 | -178 | -176 | 74.3 | 0 | 0 | 112.1 | L153 G203 L983 F984 T985 I989 N990 | L153-M987 HydrophobicContact CD1-CG 3.85Å; L153-M987 HydrophobicContact CD1-SD 3.45Å; L153-M987 WeakPolarHBondContact CD1-SD 3.35Å; G203-M987 WeakPolarHBondContact CA-SD 3.37Å; L983-M987 WeakPolarHBondContact O-CB 3.28Å; L983-M987 PolarHBondContact O-N 3.18Å; F984-M987 HydrophobicContact CD1-CE 3.58Å; F984-M987 HydrophobicContact CE1-CE 3.64Å; F984-M987 HydrophobicContact CG-CE 4.13Å; F984-M987 HydrophobicContact CZ-CE 4.23Å; F984-M987 WeakPolarHBondContact O-CB 3.29Å; F984-M987 PolarHBondContact O-N 3.2Å; T985-M987 PolarHBondContact O-N 3.03Å; M987-I989 VanDerWaalsContact C-N 3.29Å; M987-I989 PolarHBondContact O-N 3.31Å; M987-N990 VanDerWaalsContact O-CB 3.3Å; M987-N990 WeakPolarHBondContact O-CB 3.24Å; M987-N990 PolarHBondContact O-N 2.86Å; M987-N990 VanDerWaalsContact O-N 3.16Å; M987-N990 PolarHBondContact O-ND2 3.13Å |
| 988 | F | 66.5 | Low | 67.5 | Low | 6 Ų | 6 | 9.2 Ų | 9.2 | 3% | 0.026 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -78 | -6.5 | 179.7 | -64.6 | -55.1 | 0 | 0 | 0 | 114.5 | I836 T935 V938 F984 T985 F986 N990 C991 | I836-F988 HydrophobicContact CD1-CD1 3.98Å; I836-F988 HydrophobicContact CD1-CD2 3.85Å; I836-F988 HydrophobicContact CD1-CE1 3.78Å; I836-F988 HydrophobicContact CD1-CE2 3.65Å; I836-F988 HydrophobicContact CD1-CG 4.03Å; I836-F988 HydrophobicContact CD1-CZ 3.63Å; I836-F988 HydrophobicContact CG1-CD2 4.18Å; I836-F988 HydrophobicContact CG1-CE1 3.92Å; I836-F988 HydrophobicContact CG1-CE2 3.47Å; I836-F988 VanDerWaalsContact CG1-CE2 3.47Å; I836-F988 HydrophobicContact CG1-CZ 3.32Å; T935-F988 HydrophobicContact CG2-CB 3.96Å; V938-F988 HydrophobicContact CG2-CD2 4.15Å; V938-F988 HydrophobicContact CG2-CE2 4.27Å; F984-F988 HydrophobicContact CB-CD2 4.42Å; F984-F988 HydrophobicContact CB-CE2 4.15Å; F984-F988 AromaticContact CD1-CE2 3.75Å; F984-F988 HydrophobicContact CD1-CE2 3.75Å; F984-F988 HydrophobicContact CD1-CZ 4.12Å; F984-F988 HydrophobicContact CG-CE2 4.42Å; F984-F988 WeakPolarHBondContact O-CD2 3.31Å; F984-F988 WeakPolarHBondContact O-CG 3.39Å; F984-F988 PolarHBondContact O-N 3.14Å; T985-F988 PolarHBondContact O-N 3.28Å; F986-F988 VanDerWaalsContact C-N 3.33Å; F986-F988 PolarHBondContact O-N 3.04Å; F988-N990 PolarHBondContact O-N 3.36Å; F988-C991 WeakPolarHBondContact O-CB 3.41Å; F988-C991 PolarHBondContact O-N 3.11Å |
| 989 | I | 67.5 | Low | 68.4 | Low | 5 Ų | 5 | 9.1 Ų | 9.1 | 3% | 0.026 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.7 | -26.3 | 163.3 | -64.7 | 173.9 | 0 | 0 | 0 | 110.7 | T985 F986 M987 C991 T992 A1006 V1009 C1010 V1091 | T985-I989 PolarHBondContact O-N 3.49Å; F986-I989 HydrophobicContact CD1-CD1 4.14Å; F986-I989 WeakPolarHBondContact O-CB 3.46Å; F986-I989 PolarHBondContact O-N 3.26Å; F986-I989 VanDerWaalsContact O-N 3.17Å; M987-I989 VanDerWaalsContact C-N 3.29Å; M987-I989 PolarHBondContact O-N 3.31Å; I989-C991 PolarHBondContact O-N 3.46Å; I989-T992 WeakPolarHBondContact O-CB 3.36Å; I989-T992 VanDerWaalsContact O-CG2 3.3Å; I989-T992 WeakPolarHBondContact O-CG2 3.47Å; I989-T992 PolarHBondContact O-N 2.96Å; I989-T992 PolarHBondContact O-OG1 2.72Å; I989-A1006 HydrophobicContact CG2-CB 3.35Å; I989-V1009 HydrophobicContact CD1-CB 4.24Å; I989-V1009 HydrophobicContact CD1-CG1 4.02Å; I989-V1009 HydrophobicContact CG1-CB 4.33Å; I989-V1009 HydrophobicContact CG1-CG1 3.99Å; I989-C1010 HydrophobicContact CD1-CB 3.82Å; I989-V1091 HydrophobicContact CG2-CG1 4.24Å; I989-V1091 HydrophobicContact CG2-CG2 4.29Å |
| 990 | N | 60.7 | Low | 69.1 | Low | 12 Ų | 12 | 13.5 Ų | 13.5 | 6% | 0.064 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -66.9 | -15.5 | 171.9 | -59.2 | -75.2 | 0 | 0 | 0 | 113.4 | L157 M987 F988 T992 L993 V1091 | L157-N990 HydrophobicContact CD2-CB 3.88Å; L157-N990 WeakPolarHBondContact CD2-OD1 3.19Å; M987-N990 VanDerWaalsContact O-CB 3.3Å; M987-N990 WeakPolarHBondContact O-CB 3.24Å; M987-N990 PolarHBondContact O-N 2.86Å; M987-N990 VanDerWaalsContact O-N 3.16Å; M987-N990 PolarHBondContact O-ND2 3.13Å; F988-N990 PolarHBondContact O-N 3.36Å; N990-T992 PolarHBondContact O-N 3.22Å; N990-L993 HydrophobicContact CB-CD1 4.5Å; N990-L993 VanDerWaalsContact O-CD1 3.28Å; N990-L993 WeakPolarHBondContact O-CD1 3.3Å; N990-L993 VanDerWaalsContact O-CG 3.27Å; N990-L993 WeakPolarHBondContact O-CG 3.42Å; N990-L993 PolarHBondContact O-N 2.98Å; N990-V1091 HydrophobicContact CB-CG2 4.47Å; N990-V1091 WeakPolarHBondContact OD1-CG2 3.45Å |
| 991 | C | 60.9 | Low | 70 | Confident | 11 Ų | 11 | 13.9 Ų | 13.9 | 7% | 0.074 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -65.6 | -17.4 | 169.2 | -61.9 | 0 | 0 | 0 | 0 | 112.4 | F988 I989 L993 Y994 | F988-C991 WeakPolarHBondContact O-CB 3.41Å; F988-C991 PolarHBondContact O-N 3.11Å; I989-C991 PolarHBondContact O-N 3.46Å; C991-L993 PolarHBondContact O-N 3.5Å; C991-Y994 HydrophobicContact CB-CE2 4.33Å; C991-Y994 WeakPolarHBondContact O-CD2 3.49Å; C991-Y994 WeakPolarHBondContact O-CE2 3.23Å |
| 992 | T | 58.9 | Low | 70.7 | Confident | 6 Ų | 6 | 13.7 Ų | 13.7 | 4% | 0.037 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -67.5 | -3.7 | 178.2 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | L931 I989 N990 Y994 K1002 V1091 N1095 | L931-T992 HydrophobicContact CB-CG2 4.31Å; L931-T992 HydrophobicContact CD1-CG2 4.31Å; L931-T992 HydrophobicContact CD2-CG2 4.33Å; I989-T992 WeakPolarHBondContact O-CB 3.36Å; I989-T992 VanDerWaalsContact O-CG2 3.3Å; I989-T992 WeakPolarHBondContact O-CG2 3.47Å; I989-T992 PolarHBondContact O-N 2.96Å; I989-T992 PolarHBondContact O-OG1 2.72Å; N990-T992 PolarHBondContact O-N 3.22Å; T992-Y994 VanDerWaalsContact C-N 3.26Å; T992-Y994 PolarHBondContact O-N 3Å; T992-K1002 WeakPolarHBondContact O-CD 3.17Å; T992-K1002 WeakPolarHBondContact O-CE 3.3Å; T992-K1002 WeakPolarHBondContact O-CG 3.37Å; T992-K1002 PolarHBondContact O-NZ 3.5Å; T992-V1091 WeakPolarHBondContact OG1-CG1 3.22Å; T992-N1095 PolarHBondContact O-OD1 2.93Å; T992-N1095 PolarHBondContact OG1-ND2 3.23Å |
| 993 | L | 57.1 | Low | 71.4 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | -69.2 | -16.2 | -174.4 | -68.4 | 168.6 | 0 | 0 | 0 | 114.6 | L157 I210 L214 N990 C991 T995 K1002 L1094 N1095 F1098 | L157-L993 HydrophobicContact CD1-CD1 3.97Å; L157-L993 HydrophobicContact CD2-CD1 4.02Å; L157-L993 HydrophobicContact CG-CD1 4.42Å; I210-L993 HydrophobicContact CG2-CD1 4.36Å; L214-L993 HydrophobicContact CD1-CB 3.65Å; L214-L993 HydrophobicContact CD1-CD1 3.52Å; L214-L993 HydrophobicContact CD1-CG 4.16Å; L214-L993 HydrophobicContact CD2-CB 3.91Å; L214-L993 HydrophobicContact CG-CB 4.39Å; N990-L993 HydrophobicContact CB-CD1 4.5Å; N990-L993 VanDerWaalsContact O-CD1 3.28Å; N990-L993 WeakPolarHBondContact O-CD1 3.3Å; N990-L993 VanDerWaalsContact O-CG 3.27Å; N990-L993 WeakPolarHBondContact O-CG 3.42Å; N990-L993 PolarHBondContact O-N 2.98Å; C991-L993 PolarHBondContact O-N 3.5Å; L993-T995 PolarHBondContact O-N 3.32Å; L993-K1002 PolarHBondContact O-NZ 2.78Å; L993-L1094 HydrophobicContact CD1-CD1 4.28Å; L993-L1094 HydrophobicContact CD2-CB 3.6Å; L993-L1094 HydrophobicContact CD2-CD1 4.32Å; L993-N1095 WeakPolarHBondContact CA-OD1 3.27Å; L993-F1098 HydrophobicContact CD2-CD2 4.49Å |
| 994 | Y | 65.1 | Low | 72.2 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | trans | -54.2 | 123 | -175.9 | -63.8 | -54.9 | 0 | 0 | 0 | 114.5 | N825 T828 E829 C991 T992 S996 K1002 | N825-Y994 HydrophobicContact CB-CD1 3.55Å; N825-Y994 HydrophobicContact CB-CE1 4.27Å; N825-Y994 HydrophobicContact CB-CG 3.73Å; N825-Y994 VanDerWaalsContact CG-CD1 3.43Å; N825-Y994 VanDerWaalsContact OD1-CD1 3.32Å; N825-Y994 WeakPolarHBondContact OD1-CD1 3.47Å; T828-Y994 WeakPolarHBondContact CB-OH 3.4Å; T828-Y994 HydrophobicContact CG2-CE1 4.24Å; T828-Y994 WeakPolarHBondContact CG2-OH 3.41Å; E829-Y994 HydrophobicContact CG-CD2 3.68Å; E829-Y994 HydrophobicContact CG-CE2 3.2Å; E829-Y994 VanDerWaalsContact OE1-CD2 3.25Å; E829-Y994 WeakPolarHBondContact OE1-CD2 3.38Å; C991-Y994 HydrophobicContact CB-CE2 4.33Å; C991-Y994 WeakPolarHBondContact O-CD2 3.49Å; C991-Y994 WeakPolarHBondContact O-CE2 3.23Å; T992-Y994 VanDerWaalsContact C-N 3.26Å; T992-Y994 PolarHBondContact O-N 3Å; Y994-S996 PolarHBondContact O-N 2.85Å; Y994-K1002 WeakPolarHBondContact O-CE 3.29Å; Y994-K1002 PolarHBondContact O-NZ 3.01Å | ||
| 995 | T | 59 | Low | 73 | Confident | 12 Ų | 12 | 19.3 Ų | 19.3 | 7% | 0.074 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -0.7 | -166.6 | 51.9 | 0 | 0 | 0 | 0 | 116.2 | W221 N825 L993 F1098 | W221-T995 VanDerWaalsContact CH2-CB 3.49Å; W221-T995 HydrophobicContact CH2-CG2 3.86Å; W221-T995 VanDerWaalsContact CH2-OG1 3.28Å; W221-T995 WeakPolarHBondContact CH2-OG1 3.5Å; W221-T995 HydrophobicContact CZ3-CG2 3.7Å; N825-T995 PolarHBondContact ND2-N 2.74Å; L993-T995 PolarHBondContact O-N 3.32Å; T995-F1098 HydrophobicContact CG2-CB 4.37Å |
| 996 | S | 69.3 | Low | 73.6 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 4% | 0.035 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -20.5 | -175.6 | -51.1 | 0 | 0 | 0 | 0 | 114.4 | P822 N825 R923 Y994 | P822-S996 WeakPolarHBondContact CA-OG 3.48Å; N825-S996 PolarHBondContact ND2-OG 2.94Å; R923-S996 PolarHBondContact NE-O 3.04Å; R923-S996 PolarHBondContact NH2-O 3.47Å; Y994-S996 PolarHBondContact O-N 2.85Å |
| 997 | F | 79.1 | Confident | 74.3 | Confident | 21 Ų | 21 | 21.9 Ų | 21.9 | 9% | 0.092 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -114.9 | 154.5 | -176.1 | -51.1 | -68.7 | 0 | 0 | 0 | 112.3 | R923 I930 L931 K1002 | R923-F997 HydrophobicContact CG-CD1 4.21Å; R923-F997 HydrophobicContact CG-CE1 4.04Å; R923-F997 WeakPolarHBondContact O-CD1 3.42Å; R923-F997 WeakPolarHBondContact O-CE1 3.38Å; I930-F997 HydrophobicContact CD1-CZ 4.17Å; L931-F997 HydrophobicContact CD1-CD2 4.14Å; L931-F997 HydrophobicContact CD2-CD2 4.38Å; L931-F997 HydrophobicContact CD2-CE2 4.35Å; L931-F997 HydrophobicContact CG-CD2 4.33Å; L931-F997 HydrophobicContact CG-CE2 4.4Å; F997-K1002 HydrophobicContact CB-CD 4.31Å; F997-K1002 HydrophobicContact CB-CG 4.05Å; F997-K1002 WeakPolarHBondContact O-CD 3.24Å; F997-K1002 VanDerWaalsContact O-CE 3.3Å; F997-K1002 WeakPolarHBondContact O-CE 3.38Å |
| 998 | S | 83.3 | Confident | 75.2 | Confident | 15 Ų | 15 | 26.9 Ų | 26.9 | 11% | 0.105 | 13% | 0.134 | C | C | . | . | trans | -56.3 | 138.5 | 174.2 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | N924 W1000 T1001 K1002 | N924-S998 WeakPolarHBondContact OD1-CB 3.39Å; N924-S998 PolarHBondContact OD1-N 3.26Å; S998-W1000 PolarHBondContact O-N 3.32Å; S998-T1001 WeakPolarHBondContact O-CB 3.27Å; S998-T1001 PolarHBondContact O-N 3.25Å; S998-K1002 WeakPolarHBondContact O-CD 3.33Å; S998-K1002 WeakPolarHBondContact O-CG 3.46Å; S998-K1002 PolarHBondContact O-N 3.18Å | ||
| 999 | S | 85.2 | Confident | 75.9 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -51.8 | -41.5 | 177.4 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | L786 K1002 T1003 D1099 | L786-S999 VanDerWaalsContact CD1-OG 3.3Å; L786-S999 WeakPolarHBondContact CD1-OG 3.34Å; S999-K1002 PolarHBondContact O-N 3.44Å; S999-T1003 WeakPolarHBondContact O-CB 3.38Å; S999-T1003 PolarHBondContact O-N 3.42Å; S999-T1003 PolarHBondContact O-OG1 2.88Å; S999-D1099 WeakPolarHBondContact CB-OD2 3.37Å; S999-D1099 PolarHBondContact N-OD2 2.94Å; S999-D1099 PolarHBondContact OG-OD2 2.67Å |
| 1000 | W | 83.9 | Confident | 76.6 | Confident | 124 Ų | 124 | 26.7 Ų | 26.7 | 47% | 0.47 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 178.4 | -81.7 | 105.4 | 0 | 0 | 0 | 112.8 | L784 S998 K1002 T1003 I1004 | L784-W1000 PolarHBondContact O-NE1 3.05Å; L784-W1000 VanDerWaalsContact O-NE1 3.12Å; S998-W1000 PolarHBondContact O-N 3.32Å; W1000-K1002 VanDerWaalsContact C-N 3.31Å; W1000-K1002 PolarHBondContact O-N 3.49Å; W1000-T1003 PolarHBondContact O-N 3.45Å; W1000-I1004 HydrophobicContact CE3-CD1 4.35Å; W1000-I1004 WeakPolarHBondContact O-CB 3.35Å; W1000-I1004 WeakPolarHBondContact O-CD1 3.22Å; W1000-I1004 WeakPolarHBondContact O-CG1 3.21Å; W1000-I1004 PolarHBondContact O-N 3.28Å |
| 1001 | T | 85.5 | Confident | 77.6 | Confident | 22 Ų | 22 | 29.3 Ų | 29.3 | 14% | 0.135 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59 | -43.6 | 177.7 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | N924 V928 S998 S1005 | N924-T1001 HydrophobicContact CB-CG2 4.25Å; N924-T1001 VanDerWaalsContact O-CG2 3.25Å; N924-T1001 WeakPolarHBondContact O-CG2 3.49Å; V928-T1001 HydrophobicContact CG2-CG2 3.73Å; S998-T1001 WeakPolarHBondContact O-CB 3.27Å; S998-T1001 PolarHBondContact O-N 3.25Å; T1001-S1005 WeakPolarHBondContact O-CB 3.36Å; T1001-S1005 PolarHBondContact O-N 3.41Å; T1001-S1005 VanDerWaalsContact O-N 3.08Å; T1001-S1005 PolarHBondContact O-OG 3.19Å |
| 1002 | K | 84.4 | Confident | 78.6 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.3 | -50.2 | 179.1 | -61.9 | 152 | 140.5 | -148.4 | 0 | 111.5 | L931 T992 L993 Y994 F997 S998 S999 W1000 I1004 S1005 A1006 N1095 | L931-K1002 HydrophobicContact CD1-CB 4.34Å; L931-K1002 HydrophobicContact CD1-CG 3.88Å; T992-K1002 WeakPolarHBondContact O-CD 3.17Å; T992-K1002 WeakPolarHBondContact O-CE 3.3Å; T992-K1002 WeakPolarHBondContact O-CG 3.37Å; T992-K1002 PolarHBondContact O-NZ 3.5Å; L993-K1002 PolarHBondContact O-NZ 2.78Å; Y994-K1002 WeakPolarHBondContact O-CE 3.29Å; Y994-K1002 PolarHBondContact O-NZ 3.01Å; F997-K1002 HydrophobicContact CB-CD 4.31Å; F997-K1002 HydrophobicContact CB-CG 4.05Å; F997-K1002 WeakPolarHBondContact O-CD 3.24Å; F997-K1002 VanDerWaalsContact O-CE 3.3Å; F997-K1002 WeakPolarHBondContact O-CE 3.38Å; S998-K1002 WeakPolarHBondContact O-CD 3.33Å; S998-K1002 WeakPolarHBondContact O-CG 3.46Å; S998-K1002 PolarHBondContact O-N 3.18Å; S999-K1002 PolarHBondContact O-N 3.44Å; W1000-K1002 VanDerWaalsContact C-N 3.31Å; W1000-K1002 PolarHBondContact O-N 3.49Å; K1002-I1004 VanDerWaalsContact C-N 3.35Å; K1002-I1004 PolarHBondContact O-N 3.2Å; K1002-S1005 PolarHBondContact O-N 2.97Å; K1002-A1006 WeakPolarHBondContact O-CB 3.25Å; K1002-A1006 PolarHBondContact O-N 2.91Å; K1002-N1095 HydrophobicContact CD-CB 4.45Å; K1002-N1095 WeakPolarHBondContact CD-OD1 3.47Å; K1002-N1095 WeakPolarHBondContact CE-OD1 3.33Å; K1002-N1095 PolarHBondContact NZ-OD1 3.23Å |
| 1003 | T | 85.1 | Confident | 79.4 | Confident | 30 Ų | 30 | 31.3 Ų | 31.3 | 18% | 0.184 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 180 | -56.5 | 0 | 0 | 0 | 0 | 111.6 | S999 W1000 A1006 T1007 | S999-T1003 WeakPolarHBondContact O-CB 3.38Å; S999-T1003 PolarHBondContact O-N 3.42Å; S999-T1003 PolarHBondContact O-OG1 2.88Å; W1000-T1003 PolarHBondContact O-N 3.45Å; T1003-A1006 WeakPolarHBondContact O-CB 3.28Å; T1003-A1006 PolarHBondContact O-N 3.47Å; T1003-T1007 PolarHBondContact O-N 3.18Å; T1003-T1007 PolarHBondContact O-OG1 2.92Å |
| 1004 | I | 86.4 | Confident | 80.3 | Confident | 106 Ų | 106 | 32.9 Ų | 32.9 | 54% | 0.544 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.8 | -43.1 | 175.5 | -68.6 | 164.6 | 0 | 0 | 0 | 111.1 | W1000 K1002 A1006 T1007 F1008 | W1000-I1004 HydrophobicContact CE3-CD1 4.35Å; W1000-I1004 WeakPolarHBondContact O-CB 3.35Å; W1000-I1004 WeakPolarHBondContact O-CD1 3.22Å; W1000-I1004 WeakPolarHBondContact O-CG1 3.21Å; W1000-I1004 PolarHBondContact O-N 3.28Å; K1002-I1004 VanDerWaalsContact C-N 3.35Å; K1002-I1004 PolarHBondContact O-N 3.2Å; I1004-A1006 VanDerWaalsContact C-N 3.33Å; I1004-A1006 PolarHBondContact O-N 2.76Å; I1004-T1007 PolarHBondContact O-N 3.48Å; I1004-F1008 PolarHBondContact O-N 2.96Å |
| 1005 | S | 85.4 | Confident | 80.9 | Confident | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.6 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | T1001 K1002 F1008 V1009 | T1001-S1005 WeakPolarHBondContact O-CB 3.36Å; T1001-S1005 PolarHBondContact O-N 3.41Å; T1001-S1005 VanDerWaalsContact O-N 3.08Å; T1001-S1005 PolarHBondContact O-OG 3.19Å; K1002-S1005 PolarHBondContact O-N 2.97Å; S1005-F1008 PolarHBondContact O-N 3.39Å; S1005-V1009 WeakPolarHBondContact O-CG2 3.42Å; S1005-V1009 PolarHBondContact O-N 3.35Å; S1005-V1009 VanDerWaalsContact O-N 3.08Å |
| 1006 | A | 83.5 | Confident | 81.6 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I989 K1002 T1003 I1004 F1008 V1009 C1010 L1088 V1091 | I989-A1006 HydrophobicContact CG2-CB 3.35Å; K1002-A1006 WeakPolarHBondContact O-CB 3.25Å; K1002-A1006 PolarHBondContact O-N 2.91Å; T1003-A1006 WeakPolarHBondContact O-CB 3.28Å; T1003-A1006 PolarHBondContact O-N 3.47Å; I1004-A1006 VanDerWaalsContact C-N 3.33Å; I1004-A1006 PolarHBondContact O-N 2.76Å; A1006-F1008 PolarHBondContact O-N 2.9Å; A1006-V1009 PolarHBondContact O-N 2.85Å; A1006-C1010 VanDerWaalsContact O-CB 3.22Å; A1006-C1010 WeakPolarHBondContact O-CB 3.39Å; A1006-C1010 PolarHBondContact O-N 2.95Å; A1006-L1088 HydrophobicContact CB-CD1 3.79Å; A1006-V1091 HydrophobicContact CB-CG1 4.18Å |
| 1007 | T | 85.9 | Confident | 81.7 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 111 | T1003 I1004 C1010 S1011 L1088 | T1003-T1007 PolarHBondContact O-N 3.18Å; T1003-T1007 PolarHBondContact O-OG1 2.92Å; I1004-T1007 PolarHBondContact O-N 3.48Å; T1007-C1010 PolarHBondContact O-N 2.81Å; T1007-S1011 WeakPolarHBondContact O-CB 3.5Å; T1007-S1011 PolarHBondContact O-N 2.99Å; T1007-S1011 PolarHBondContact O-OG 3.44Å; T1007-S1011 VanDerWaalsContact O-OG 3.12Å; T1007-L1088 HydrophobicContact CG2-CD2 4.12Å |
| 1008 | F | 86.4 | Confident | 81.4 | Confident | 120 Ų | 120 | 40.8 Ų | 40.8 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.8 | -49.9 | -179.1 | 177.9 | -99.6 | 0 | 0 | 0 | 112 | I932 I1004 S1005 A1006 C1010 S1011 L1012 | I932-F1008 HydrophobicContact CD1-CD1 4.08Å; I1004-F1008 PolarHBondContact O-N 2.96Å; S1005-F1008 PolarHBondContact O-N 3.39Å; A1006-F1008 PolarHBondContact O-N 2.9Å; F1008-C1010 PolarHBondContact O-N 3.42Å; F1008-S1011 PolarHBondContact O-N 3.31Å; F1008-L1012 HydrophobicContact CE1-CD2 4.4Å; F1008-L1012 VanDerWaalsContact O-CB 3.32Å; F1008-L1012 WeakPolarHBondContact O-CB 3.5Å; F1008-L1012 PolarHBondContact O-N 3.03Å |
| 1009 | V | 81.5 | Confident | 80.8 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | I932 T935 T985 I989 S1005 A1006 G1013 | I932-V1009 HydrophobicContact CG1-CG2 3.95Å; I932-V1009 HydrophobicContact CG2-CG2 4.27Å; T935-V1009 HydrophobicContact CG2-CG1 3.96Å; T985-V1009 HydrophobicContact CG2-CG1 3.55Å; I989-V1009 HydrophobicContact CD1-CB 4.24Å; I989-V1009 HydrophobicContact CD1-CG1 4.02Å; I989-V1009 HydrophobicContact CG1-CB 4.33Å; I989-V1009 HydrophobicContact CG1-CG1 3.99Å; S1005-V1009 WeakPolarHBondContact O-CG2 3.42Å; S1005-V1009 PolarHBondContact O-N 3.35Å; S1005-V1009 VanDerWaalsContact O-N 3.08Å; A1006-V1009 PolarHBondContact O-N 2.85Å; V1009-G1013 PolarHBondContact O-N 3.05Å |
| 1010 | C | 81.4 | Confident | 80 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -48.3 | 177.8 | -168.6 | 0 | 0 | 0 | 0 | 111.9 | I989 A1006 T1007 F1008 G1013 I1014 G1084 | I989-C1010 HydrophobicContact CD1-CB 3.82Å; A1006-C1010 VanDerWaalsContact O-CB 3.22Å; A1006-C1010 WeakPolarHBondContact O-CB 3.39Å; A1006-C1010 PolarHBondContact O-N 2.95Å; T1007-C1010 PolarHBondContact O-N 2.81Å; F1008-C1010 PolarHBondContact O-N 3.42Å; C1010-G1013 PolarHBondContact O-N 3.03Å; C1010-I1014 WeakPolarHBondContact O-CG1 3.46Å; C1010-I1014 PolarHBondContact O-N 2.97Å; C1010-G1084 VanDerWaalsContact SG-C 3.57Å; C1010-G1084 WeakPolarHBondContact SG-CA 3.36Å; C1010-G1084 PolarHBondContact SG-O 3.16Å |
| 1011 | S | 83.2 | Confident | 79.1 | Confident | 66 Ų | 66 | 41.1 Ų | 41.1 | 46% | 0.462 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 178.3 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | T1007 F1008 I1014 L1015 | T1007-S1011 WeakPolarHBondContact O-CB 3.5Å; T1007-S1011 PolarHBondContact O-N 2.99Å; T1007-S1011 PolarHBondContact O-OG 3.44Å; T1007-S1011 VanDerWaalsContact O-OG 3.12Å; F1008-S1011 PolarHBondContact O-N 3.31Å; S1011-I1014 PolarHBondContact O-N 3.16Å; S1011-L1015 WeakPolarHBondContact O-CB 3.32Å; S1011-L1015 PolarHBondContact O-N 2.99Å |
| 1012 | L | 81.4 | Confident | 78.1 | Confident | 60 Ų | 60 | 44 Ų | 44 | 31% | 0.314 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 173.5 | 179.6 | 60.3 | 0 | 0 | 0 | 111.5 | L939 F1008 L1015 L1016 | L939-L1012 HydrophobicContact CD1-CD2 4.12Å; F1008-L1012 HydrophobicContact CE1-CD2 4.4Å; F1008-L1012 VanDerWaalsContact O-CB 3.32Å; F1008-L1012 WeakPolarHBondContact O-CB 3.5Å; F1008-L1012 PolarHBondContact O-N 3.03Å; L1012-L1015 PolarHBondContact O-N 3.21Å; L1012-L1016 HydrophobicContact CD1-CD1 4.22Å; L1012-L1016 HydrophobicContact CD1-CG 4.4Å; L1012-L1016 HydrophobicContact CG-CD1 4.18Å; L1012-L1016 VanDerWaalsContact O-CG 3.28Å; L1012-L1016 WeakPolarHBondContact O-CG 3.22Å; L1012-L1016 PolarHBondContact O-N 3.46Å; L1012-L1016 VanDerWaalsContact O-N 3.09Å |
| 1013 | G | 75.2 | Confident | 77 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -52.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L982 V1009 C1010 L1015 L1016 I1017 | L982-G1013 WeakPolarHBondContact CD1-O 3.24Å; V1009-G1013 PolarHBondContact O-N 3.05Å; C1010-G1013 PolarHBondContact O-N 3.03Å; G1013-L1015 VanDerWaalsContact C-N 3.31Å; G1013-L1015 PolarHBondContact O-N 3.23Å; G1013-L1016 PolarHBondContact O-N 3.3Å; G1013-L1016 VanDerWaalsContact O-N 3.14Å; G1013-I1017 PolarHBondContact O-N 2.97Å |
| 1014 | I | 75.2 | Confident | 75.8 | Confident | 33 Ų | 33 | 48.6 Ų | 48.6 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58 | -43 | 178.4 | -68.7 | 169 | 0 | 0 | 0 | 111.4 | F986 C1010 S1011 L1016 I1017 S1018 I1081 | F986-I1014 HydrophobicContact CE1-CG1 4.44Å; F986-I1014 HydrophobicContact CZ-CG1 3.9Å; C1010-I1014 WeakPolarHBondContact O-CG1 3.46Å; C1010-I1014 PolarHBondContact O-N 2.97Å; S1011-I1014 PolarHBondContact O-N 3.16Å; I1014-L1016 VanDerWaalsContact C-N 3.33Å; I1014-L1016 PolarHBondContact O-N 2.89Å; I1014-I1017 PolarHBondContact O-N 3.29Å; I1014-S1018 PolarHBondContact O-N 2.86Å; I1014-S1018 PolarHBondContact O-OG 3.2Å; I1014-I1081 HydrophobicContact CG2-CG1 3.91Å |
| 1015 | L | 79.1 | Confident | 74.5 | Confident | 110 Ų | 110 | 48.3 Ų | 48.3 | 58% | 0.576 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -59.5 | -41.9 | 177.1 | -179.9 | 62.8 | 0 | 0 | 0 | 112.2 | S1011 L1012 G1013 S1018 L1019 | S1011-L1015 WeakPolarHBondContact O-CB 3.32Å; S1011-L1015 PolarHBondContact O-N 2.99Å; L1012-L1015 PolarHBondContact O-N 3.21Å; G1013-L1015 VanDerWaalsContact C-N 3.31Å; G1013-L1015 PolarHBondContact O-N 3.23Å; L1015-S1018 PolarHBondContact O-N 3.22Å; L1015-L1019 VanDerWaalsContact O-CB 3.31Å; L1015-L1019 WeakPolarHBondContact O-CB 3.28Å; L1015-L1019 PolarHBondContact O-N 2.93Å |
| 1016 | L | 73.6 | Confident | 73.1 | Confident | 31 Ų | 31 | 53 Ų | 53 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.6 | -33.2 | -178.9 | -70.3 | 168.7 | 0 | 0 | 0 | 113 | L939 Y942 L946 L982 L1012 G1013 I1014 H1020 | L939-L1016 HydrophobicContact CD2-CD1 4.32Å; Y942-L1016 HydrophobicContact CE2-CD1 4.22Å; Y942-L1016 WeakPolarHBondContact OH-CD1 3.24Å; L946-L1016 HydrophobicContact CD1-CD2 4.01Å; L982-L1016 HydrophobicContact CD1-CB 4.27Å; L1012-L1016 HydrophobicContact CD1-CD1 4.22Å; L1012-L1016 HydrophobicContact CD1-CG 4.4Å; L1012-L1016 HydrophobicContact CG-CD1 4.18Å; L1012-L1016 VanDerWaalsContact O-CG 3.28Å; L1012-L1016 WeakPolarHBondContact O-CG 3.22Å; L1012-L1016 PolarHBondContact O-N 3.46Å; L1012-L1016 VanDerWaalsContact O-N 3.09Å; G1013-L1016 PolarHBondContact O-N 3.3Å; G1013-L1016 VanDerWaalsContact O-N 3.14Å; I1014-L1016 VanDerWaalsContact C-N 3.33Å; I1014-L1016 PolarHBondContact O-N 2.89Å; L1016-H1020 WeakPolarHBondContact O-CB 3.3Å; L1016-H1020 PolarHBondContact O-N 3.48Å |
| 1017 | I | 71 | Confident | 71.6 | Confident | 20 Ų | 20 | 56 Ų | 56 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -53.1 | 171.1 | -51.6 | 167.4 | 0 | 0 | 0 | 110.1 | L982 G1013 I1014 L1019 H1020 R1021 V1077 Y1080 | L982-I1017 HydrophobicContact CD1-CG1 3.89Å; L982-I1017 HydrophobicContact CD2-CD1 3.6Å; L982-I1017 HydrophobicContact CD2-CG1 3.66Å; L982-I1017 HydrophobicContact CG-CG1 4.37Å; G1013-I1017 PolarHBondContact O-N 2.97Å; I1014-I1017 PolarHBondContact O-N 3.29Å; I1017-L1019 VanDerWaalsContact C-N 3.28Å; I1017-L1019 PolarHBondContact O-N 2.68Å; I1017-H1020 WeakPolarHBondContact O-CB 3.46Å; I1017-H1020 PolarHBondContact O-N 2.9Å; I1017-R1021 PolarHBondContact O-N 3.26Å; I1017-R1021 VanDerWaalsContact O-N 3.14Å; I1017-V1077 HydrophobicContact CG2-CB 4.42Å; I1017-V1077 HydrophobicContact CG2-CG1 4.08Å; I1017-V1077 HydrophobicContact CG2-CG2 3.81Å; I1017-Y1080 HydrophobicContact CD1-CD1 4.44Å; I1017-Y1080 HydrophobicContact CD1-CG 3.9Å |
| 1018 | S | 72.7 | Confident | 70.1 | Confident | 45 Ų | 45 | 55.2 Ų | 55.2 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | -175.4 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | I1014 L1015 T1022 | I1014-S1018 PolarHBondContact O-N 2.86Å; I1014-S1018 PolarHBondContact O-OG 3.2Å; L1015-S1018 PolarHBondContact O-N 3.22Å; S1018-T1022 WeakPolarHBondContact O-CB 3.31Å; S1018-T1022 PolarHBondContact O-N 3.39Å; S1018-T1022 VanDerWaalsContact O-N 3.09Å; S1018-T1022 PolarHBondContact O-OG1 2.94Å |
| 1019 | L | 71.2 | Confident | 68.5 | Low | 72 Ų | 72 | 53.3 Ų | 53.3 | 38% | 0.377 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 174.1 | -176.6 | 60.7 | 0 | 0 | 0 | 111.8 | F947 L1015 I1017 R1021 T1022 L1023 | F947-L1019 HydrophobicContact CZ-CD2 4.38Å; L1015-L1019 VanDerWaalsContact O-CB 3.31Å; L1015-L1019 WeakPolarHBondContact O-CB 3.28Å; L1015-L1019 PolarHBondContact O-N 2.93Å; I1017-L1019 VanDerWaalsContact C-N 3.28Å; I1017-L1019 PolarHBondContact O-N 2.68Å; L1019-R1021 PolarHBondContact O-N 3.03Å; L1019-T1022 PolarHBondContact O-N 3.48Å; L1019-L1023 HydrophobicContact CD1-CD1 4.26Å; L1019-L1023 HydrophobicContact CD1-CG 4.44Å; L1019-L1023 HydrophobicContact CG-CD1 4.01Å; L1019-L1023 WeakPolarHBondContact O-CG 3.42Å; L1019-L1023 PolarHBondContact O-N 3.05Å |
| 1020 | H | 68.9 | Low | 67.1 | Low | 25 Ų | 25 | 60.8 Ų | 60.8 | 12% | 0.116 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.5 | -48.7 | 178.3 | -174.2 | 53.4 | 0 | 0 | 0 | 112.3 | L946 L1016 I1017 L1023 Q1024 | L946-H1020 HydrophobicContact CD2-CB 3.56Å; L946-H1020 WeakPolarHBondContact CD2-ND1 3.21Å; L1016-H1020 WeakPolarHBondContact O-CB 3.3Å; L1016-H1020 PolarHBondContact O-N 3.48Å; I1017-H1020 WeakPolarHBondContact O-CB 3.46Å; I1017-H1020 PolarHBondContact O-N 2.9Å; H1020-L1023 WeakPolarHBondContact O-CB 3.41Å; H1020-L1023 PolarHBondContact O-N 3.47Å; H1020-Q1024 PolarHBondContact NE2-NE2 3.16Å; H1020-Q1024 PolarHBondContact O-N 3.46Å |
| 1021 | R | 64 | Low | 65.7 | Low | 56 Ų | 56 | 64.2 Ų | 64.2 | 21% | 0.211 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.2 | -34.1 | -177.6 | -173.2 | 164.7 | 165.6 | -145.6 | -8.9 | 112.5 | I1017 L1019 L1023 Q1024 Y1025 D1074 V1077 | I1017-R1021 PolarHBondContact O-N 3.26Å; I1017-R1021 VanDerWaalsContact O-N 3.14Å; L1019-R1021 PolarHBondContact O-N 3.03Å; R1021-L1023 VanDerWaalsContact C-N 3.34Å; R1021-Q1024 PolarHBondContact O-N 3.31Å; R1021-Y1025 HydrophobicContact CG-CD2 4Å; R1021-Y1025 HydrophobicContact CG-CE2 3.55Å; R1021-Y1025 PolarHBondContact NE-OH 3.3Å; R1021-Y1025 VanDerWaalsContact NE-OH 3.12Å; R1021-Y1025 PolarHBondContact NH2-OH 3.02Å; R1021-Y1025 WeakPolarHBondContact O-CD2 3.45Å; R1021-Y1025 PolarHBondContact O-N 2.94Å; R1021-Y1025 VanDerWaalsContact O-N 3.12Å; R1021-D1074 IonicContact CZ-OD1 2.66Å; R1021-D1074 PolarHBondContact NH1-O 3.19Å; R1021-D1074 VanDerWaalsContact NH2-CG 3.3Å; R1021-D1074 PolarHBondContact NH2-O 3.16Å; R1021-D1074 IonicContact NH2-OD1 2.71Å; R1021-D1074 PolarHBondContact NH2-OD1 3.14Å; R1021-V1077 VanDerWaalsContact NH1-CG2 3.33Å |
| 1022 | T | 64.8 | Low | 64.2 | Low | 83 Ų | 83 | 63.1 Ų | 63.1 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 170.1 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | S1018 L1019 Q1024 Y1025 T1026 | S1018-T1022 WeakPolarHBondContact O-CB 3.31Å; S1018-T1022 PolarHBondContact O-N 3.39Å; S1018-T1022 VanDerWaalsContact O-N 3.09Å; S1018-T1022 PolarHBondContact O-OG1 2.94Å; L1019-T1022 PolarHBondContact O-N 3.48Å; T1022-Q1024 PolarHBondContact O-N 2.86Å; T1022-Y1025 PolarHBondContact O-N 3.36Å; T1022-T1026 WeakPolarHBondContact O-CG2 3.4Å; T1022-T1026 PolarHBondContact O-N 2.85Å; T1022-T1026 VanDerWaalsContact O-N 3.09Å; T1022-T1026 PolarHBondContact O-OG1 2.69Å |
| 1023 | L | 60.7 | Low | 62.7 | Low | 63 Ų | 63 | 67.1 Ų | 67.1 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 175.8 | -73.6 | 162.9 | 0 | 0 | 0 | 112.6 | F947 L1019 H1020 R1021 T1026 C1027 | F947-L1023 HydrophobicContact CE1-CD1 4.35Å; L1019-L1023 HydrophobicContact CD1-CD1 4.26Å; L1019-L1023 HydrophobicContact CD1-CG 4.44Å; L1019-L1023 HydrophobicContact CG-CD1 4.01Å; L1019-L1023 WeakPolarHBondContact O-CG 3.42Å; L1019-L1023 PolarHBondContact O-N 3.05Å; H1020-L1023 WeakPolarHBondContact O-CB 3.41Å; H1020-L1023 PolarHBondContact O-N 3.47Å; R1021-L1023 VanDerWaalsContact C-N 3.34Å; L1023-T1026 PolarHBondContact O-OG1 2.86Å; L1023-C1027 WeakPolarHBondContact O-CB 3.42Å; L1023-C1027 PolarHBondContact O-N 3.12Å; L1023-C1027 PolarHBondContact O-SG 2.68Å |
| 1024 | Q | 60.2 | Low | 61.5 | Low | 64 Ų | 64 | 69.8 Ų | 69.8 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 176.4 | -75.4 | -178.4 | -40.3 | 0 | 0 | 112.5 | T975 H1020 R1021 T1022 | T975-Q1024 PolarHBondContact OG1-NE2 2.85Å; H1020-Q1024 PolarHBondContact NE2-NE2 3.16Å; H1020-Q1024 PolarHBondContact O-N 3.46Å; R1021-Q1024 PolarHBondContact O-N 3.31Å; T1022-Q1024 PolarHBondContact O-N 2.86Å |
| 1025 | Y | 58.8 | Low | 60.4 | Low | 101 Ų | 101 | 70.5 Ų | 70.5 | 40% | 0.396 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.1 | -39.7 | 177.4 | -72.2 | -60.7 | 0 | 0 | 0 | 113.6 | R1021 T1022 C1027 V1032 D1074 | R1021-Y1025 HydrophobicContact CG-CD2 4Å; R1021-Y1025 HydrophobicContact CG-CE2 3.55Å; R1021-Y1025 PolarHBondContact NE-OH 3.3Å; R1021-Y1025 VanDerWaalsContact NE-OH 3.12Å; R1021-Y1025 PolarHBondContact NH2-OH 3.02Å; R1021-Y1025 WeakPolarHBondContact O-CD2 3.45Å; R1021-Y1025 PolarHBondContact O-N 2.94Å; R1021-Y1025 VanDerWaalsContact O-N 3.12Å; T1022-Y1025 PolarHBondContact O-N 3.36Å; Y1025-C1027 VanDerWaalsContact C-N 3.35Å; Y1025-C1027 PolarHBondContact O-N 2.92Å; Y1025-V1032 HydrophobicContact CD1-CG1 4.45Å; Y1025-V1032 HydrophobicContact CE1-CG1 4.38Å; Y1025-D1074 PolarHBondContact OH-OD1 3.03Å |
| 1026 | T | 55.5 | Low | 59 | Low | 100 Ų | 100 | 70.1 Ų | 70.1 | 61% | 0.613 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -73.7 | -24.9 | -177.1 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | T1022 L1023 | T1022-T1026 WeakPolarHBondContact O-CG2 3.4Å; T1022-T1026 PolarHBondContact O-N 2.85Å; T1022-T1026 VanDerWaalsContact O-N 3.09Å; T1022-T1026 PolarHBondContact O-OG1 2.69Å; L1023-T1026 PolarHBondContact O-OG1 2.86Å |
| 1027 | C | 53.2 | Low | 57.9 | Low | 65 Ų | 65 | 71.9 Ų | 71.9 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -80.5 | -26.6 | -174.3 | -84.7 | 0 | 0 | 0 | 0 | 115.9 | T951 L1023 Y1025 | T951-C1027 HydrophobicContact CG2-CB 3.84Å; L1023-C1027 WeakPolarHBondContact O-CB 3.42Å; L1023-C1027 PolarHBondContact O-N 3.12Å; L1023-C1027 PolarHBondContact O-SG 2.68Å; Y1025-C1027 VanDerWaalsContact C-N 3.35Å; Y1025-C1027 PolarHBondContact O-N 2.92Å |
| 1028 | S | 53.5 | Low | 56.9 | Low | 37 Ų | 37 | 76.4 Ų | 76.4 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | trans | -166.4 | 82.8 | 170 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | Q1030 H1031 V1032 | S1028-Q1030 VanDerWaalsContact C-N 3.33Å; S1028-Q1030 PolarHBondContact O-N 3.44Å; S1028-H1031 PolarHBondContact O-N 2.88Å; S1028-V1032 PolarHBondContact O-N 3.07Å; S1028-V1032 VanDerWaalsContact O-N 3.12Å | ||
| 1029 | P | 53.7 | Low | 55.8 | Low | 81 Ų | 81 | 75.6 Ų | 75.6 | 53% | 0.526 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.4 | -39.8 | -175 | 21.5 | -32.7 | 0 | 0 | 0 | 113.3 | H1031 Q1033 | P1029-H1031 PolarHBondContact O-N 3.46Å; P1029-Q1033 VanDerWaalsContact O-CB 3.24Å; P1029-Q1033 WeakPolarHBondContact O-CB 3.47Å; P1029-Q1033 PolarHBondContact O-N 3.24Å |
| 1030 | Q | 51.8 | Low | 54.5 | Low | 160 Ų | 160 | 78 Ų | 78 | 75% | 0.748 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65.1 | -37 | -179.5 | -70.1 | 175.4 | -22.2 | 0 | 0 | 113.4 | S1028 S1034 | S1028-Q1030 VanDerWaalsContact C-N 3.33Å; S1028-Q1030 PolarHBondContact O-N 3.44Å; Q1030-S1034 WeakPolarHBondContact O-CB 3.43Å; Q1030-S1034 PolarHBondContact O-N 2.87Å; Q1030-S1034 PolarHBondContact O-OG 3.04Å |
| 1031 | H | 51.4 | Low | 53.4 | Low | 77 Ų | 77 | 86.2 Ų | 86.2 | 36% | 0.356 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -79.9 | -36.4 | 179.3 | -71.9 | -53.4 | 0 | 0 | 0 | 112.7 | S1028 P1029 Q1033 S1034 W1035 | S1028-H1031 PolarHBondContact O-N 2.88Å; P1029-H1031 PolarHBondContact O-N 3.46Å; H1031-Q1033 VanDerWaalsContact C-N 3.31Å; H1031-Q1033 PolarHBondContact O-N 2.93Å; H1031-S1034 WeakPolarHBondContact CA-OG 3.48Å; H1031-S1034 PolarHBondContact O-OG 3.4Å; H1031-W1035 WeakPolarHBondContact O-CB 3.29Å; H1031-W1035 PolarHBondContact O-N 3.27Å |
| 1032 | V | 51.9 | Low | 52.7 | Low | 43 Ų | 43 | 87.9 Ų | 87.9 | 26% | 0.261 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 170.2 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | Y1025 S1028 W1035 Y1036 | Y1025-V1032 HydrophobicContact CD1-CG1 4.45Å; Y1025-V1032 HydrophobicContact CE1-CG1 4.38Å; S1028-V1032 PolarHBondContact O-N 3.07Å; S1028-V1032 VanDerWaalsContact O-N 3.12Å; V1032-W1035 PolarHBondContact O-N 2.94Å; V1032-Y1036 VanDerWaalsContact O-CB 3.28Å; V1032-Y1036 WeakPolarHBondContact O-CB 3.36Å; V1032-Y1036 PolarHBondContact O-N 2.9Å |
| 1033 | Q | 50.6 | Low | 51.6 | Low | 144 Ų | 144 | 88.6 Ų | 88.6 | 67% | 0.673 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -73.3 | -32.2 | -177.7 | -166 | 165.1 | -0.6 | 0 | 0 | 113.6 | P1029 H1031 S1037 | P1029-Q1033 VanDerWaalsContact O-CB 3.24Å; P1029-Q1033 WeakPolarHBondContact O-CB 3.47Å; P1029-Q1033 PolarHBondContact O-N 3.24Å; H1031-Q1033 VanDerWaalsContact C-N 3.31Å; H1031-Q1033 PolarHBondContact O-N 2.93Å; Q1033-S1037 WeakPolarHBondContact O-CB 3.05Å; Q1033-S1037 PolarHBondContact O-N 3.33Å; Q1033-S1037 PolarHBondContact O-OG 3.32Å |
| 1034 | S | 50.3 | Low | 50.6 | Low | 55 Ų | 55 | 91.2 Ų | 91.2 | 39% | 0.385 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -78.3 | -30.4 | 172.5 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | Q1030 H1031 S1037 L1038 | Q1030-S1034 WeakPolarHBondContact O-CB 3.43Å; Q1030-S1034 PolarHBondContact O-N 2.87Å; Q1030-S1034 PolarHBondContact O-OG 3.04Å; H1031-S1034 WeakPolarHBondContact CA-OG 3.48Å; H1031-S1034 PolarHBondContact O-OG 3.4Å; S1034-S1037 WeakPolarHBondContact CA-OG 3.44Å; S1034-S1037 PolarHBondContact O-OG 2.98Å; S1034-S1037 VanDerWaalsContact O-OG 3.05Å; S1034-L1038 VanDerWaalsContact O-CB 3.29Å; S1034-L1038 WeakPolarHBondContact O-CB 2.94Å; S1034-L1038 PolarHBondContact O-N 3.32Å |
| 1035 | W | 51.8 | Low | 49.6 | Very low | 48 Ų | 48 | 89.8 Ų | 89.8 | 18% | 0.182 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 168.4 | 179.6 | 77.6 | 0 | 0 | 0 | 111.6 | F972 H1031 V1032 L1038 I1039 T1072 | F972-W1035 HydrophobicContact CD2-CH2 4.25Å; F972-W1035 HydrophobicContact CD2-CZ2 4.1Å; H1031-W1035 WeakPolarHBondContact O-CB 3.29Å; H1031-W1035 PolarHBondContact O-N 3.27Å; V1032-W1035 PolarHBondContact O-N 2.94Å; W1035-L1038 PolarHBondContact O-N 3.38Å; W1035-I1039 HydrophobicContact CD2-CD1 3.81Å; W1035-I1039 VanDerWaalsContact CE2-CD1 3.47Å; W1035-I1039 HydrophobicContact CE3-CD1 4.13Å; W1035-I1039 HydrophobicContact CG-CD1 4.47Å; W1035-I1039 HydrophobicContact CH2-CD1 3.94Å; W1035-I1039 HydrophobicContact CZ2-CD1 3.56Å; W1035-I1039 HydrophobicContact CZ3-CD1 4.19Å; W1035-I1039 WeakPolarHBondContact O-CG1 3.25Å; W1035-I1039 PolarHBondContact O-N 3.48Å; W1035-T1072 HydrophobicContact CH2-CG2 3.6Å; W1035-T1072 HydrophobicContact CZ3-CG2 4.17Å |
| 1036 | Y | 49.1 | Very low | 48.7 | Very low | 103 Ų | 103 | 90.8 Ų | 90.8 | 40% | 0.404 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 175.5 | -162 | -100.4 | 0 | 0 | 0 | 112.1 | V1032 K1040 | V1032-Y1036 VanDerWaalsContact O-CB 3.28Å; V1032-Y1036 WeakPolarHBondContact O-CB 3.36Å; V1032-Y1036 PolarHBondContact O-N 2.9Å; Y1036-K1040 VanDerWaalsContact O-CB 3.25Å; Y1036-K1040 WeakPolarHBondContact O-CB 3.14Å; Y1036-K1040 PolarHBondContact O-N 3.27Å |
| 1037 | S | 50.5 | Low | 47.9 | Very low | 67 Ų | 67 | 94.3 Ų | 94.3 | 47% | 0.469 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.5 | -39.9 | 173.8 | 71.7 | 0 | 0 | 0 | 0 | 112.2 | Q1033 S1034 K1040 Y1041 | Q1033-S1037 WeakPolarHBondContact O-CB 3.05Å; Q1033-S1037 PolarHBondContact O-N 3.33Å; Q1033-S1037 PolarHBondContact O-OG 3.32Å; S1034-S1037 WeakPolarHBondContact CA-OG 3.44Å; S1034-S1037 PolarHBondContact O-OG 2.98Å; S1034-S1037 VanDerWaalsContact O-OG 3.05Å; S1037-K1040 CarbonylContact O-C 3.59Å; S1037-K1040 PolarHBondContact O-N 3.46Å; S1037-Y1041 WeakPolarHBondContact O-CB 3.48Å; S1037-Y1041 PolarHBondContact O-N 3.43Å |
| 1038 | L | 49.8 | Very low | 47.4 | Very low | 115 Ų | 115 | 96.8 Ų | 96.8 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.8 | -47.9 | 175.8 | -172.6 | 70.8 | 0 | 0 | 0 | 111.4 | S1034 W1035 Y1041 S1042 | S1034-L1038 VanDerWaalsContact O-CB 3.29Å; S1034-L1038 WeakPolarHBondContact O-CB 2.94Å; S1034-L1038 PolarHBondContact O-N 3.32Å; W1035-L1038 PolarHBondContact O-N 3.38Å; L1038-Y1041 PolarHBondContact O-N 3.02Å; L1038-S1042 PolarHBondContact O-N 3.07Å; L1038-S1042 PolarHBondContact O-OG 3.33Å |
| 1039 | I | 50.1 | Low | 46.8 | Very low | 29 Ų | 29 | 99.9 Ų | 99.9 | 15% | 0.149 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 173.7 | -73 | 174.4 | 0 | 0 | 0 | 110.5 | W1035 Y1041 S1042 F1043 | W1035-I1039 HydrophobicContact CD2-CD1 3.81Å; W1035-I1039 VanDerWaalsContact CE2-CD1 3.47Å; W1035-I1039 HydrophobicContact CE3-CD1 4.13Å; W1035-I1039 HydrophobicContact CG-CD1 4.47Å; W1035-I1039 HydrophobicContact CH2-CD1 3.94Å; W1035-I1039 HydrophobicContact CZ2-CD1 3.56Å; W1035-I1039 HydrophobicContact CZ3-CD1 4.19Å; W1035-I1039 WeakPolarHBondContact O-CG1 3.25Å; W1035-I1039 PolarHBondContact O-N 3.48Å; I1039-Y1041 PolarHBondContact O-N 2.98Å; I1039-S1042 PolarHBondContact O-N 3.27Å; I1039-S1042 VanDerWaalsContact O-N 3.15Å; I1039-F1043 HydrophobicContact CG2-CD2 3.82Å; I1039-F1043 HydrophobicContact CG2-CE2 3.97Å; I1039-F1043 WeakPolarHBondContact O-CD2 3.2Å; I1039-F1043 PolarHBondContact O-N 3.13Å; I1039-F1043 VanDerWaalsContact O-N 3.12Å |
| 1040 | K | 43.8 | Very low | 46.1 | Very low | 123 Ų | 123 | 104.3 Ų | 104.3 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -29.1 | 179.6 | -168 | 175.4 | -177.6 | -177.5 | 0 | 112.8 | Y1036 S1037 N1044 | Y1036-K1040 VanDerWaalsContact O-CB 3.25Å; Y1036-K1040 WeakPolarHBondContact O-CB 3.14Å; Y1036-K1040 PolarHBondContact O-N 3.27Å; S1037-K1040 CarbonylContact O-C 3.59Å; S1037-K1040 PolarHBondContact O-N 3.46Å; K1040-N1044 VanDerWaalsContact O-CB 3.3Å; K1040-N1044 WeakPolarHBondContact O-CB 3.36Å; K1040-N1044 PolarHBondContact O-N 3.43Å; K1040-N1044 PolarHBondContact O-OD1 3.38Å |
| 1041 | Y | 47.1 | Very low | 45.3 | Very low | 196 Ų | 196 | 105.7 Ų | 105.7 | 77% | 0.769 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73 | -41.3 | 174.4 | -144.1 | -85.9 | 0 | 0 | 0 | 111.4 | S1037 L1038 I1039 F1043 N1044 | S1037-Y1041 WeakPolarHBondContact O-CB 3.48Å; S1037-Y1041 PolarHBondContact O-N 3.43Å; L1038-Y1041 PolarHBondContact O-N 3.02Å; I1039-Y1041 PolarHBondContact O-N 2.98Å; Y1041-F1043 VanDerWaalsContact C-N 3.28Å; Y1041-F1043 PolarHBondContact O-N 3.49Å; Y1041-N1044 PolarHBondContact O-N 2.96Å |
| 1042 | S | 48 | Very low | 44.5 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 64% | 0.643 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -25.7 | 175.1 | -62.6 | 0 | 0 | 0 | 0 | 114.3 | L1038 I1039 | L1038-S1042 PolarHBondContact O-N 3.07Å; L1038-S1042 PolarHBondContact O-OG 3.33Å; I1039-S1042 PolarHBondContact O-N 3.27Å; I1039-S1042 VanDerWaalsContact O-N 3.15Å |
| 1043 | F | 41.7 | Very low | 43.8 | Very low | 98 Ų | 98 | 116.3 Ų | 116.3 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -95.3 | -12.6 | -179.9 | -81 | -71.8 | 0 | 0 | 0 | 115.1 | I1039 Y1041 Y1069 | I1039-F1043 HydrophobicContact CG2-CD2 3.82Å; I1039-F1043 HydrophobicContact CG2-CE2 3.97Å; I1039-F1043 WeakPolarHBondContact O-CD2 3.2Å; I1039-F1043 PolarHBondContact O-N 3.13Å; I1039-F1043 VanDerWaalsContact O-N 3.12Å; Y1041-F1043 VanDerWaalsContact C-N 3.28Å; Y1041-F1043 PolarHBondContact O-N 3.49Å; F1043-Y1069 HydrophobicContact CD2-CD2 4.08Å; F1043-Y1069 HydrophobicContact CD2-CE2 4.12Å; F1043-Y1069 AromaticContact CE2-CD2 3.92Å; F1043-Y1069 HydrophobicContact CE2-CD2 3.92Å; F1043-Y1069 HydrophobicContact CE2-CE2 4.43Å; F1043-Y1069 HydrophobicContact CG-CE2 4.34Å; F1043-Y1069 HydrophobicContact CZ-CD2 4.2Å |
| 1044 | N | 40 | Very low | 43 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 63% | 0.626 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -105.8 | 3.6 | -172.3 | -81.7 | 27.5 | 0 | 0 | 0 | 115.4 | K1040 Y1041 | K1040-N1044 VanDerWaalsContact O-CB 3.3Å; K1040-N1044 WeakPolarHBondContact O-CB 3.36Å; K1040-N1044 PolarHBondContact O-N 3.43Å; K1040-N1044 PolarHBondContact O-OD1 3.38Å; Y1041-N1044 PolarHBondContact O-N 2.96Å |
| 1045 | G | 40 | Very low | 41.9 | Very low | 35 Ų | 35 | 122.4 Ų | 122.4 | 36% | 0.361 | 61% | 0.609 | S | S | . | * | trans | -117.5 | 105.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1046 | P | 39.3 | Very low | 41 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -78.8 | -14.3 | -178.1 | 28.6 | -32.3 | 0 | 0 | 0 | 115.1 | ||
| 1047 | E | 39.5 | Very low | 40.1 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -116.5 | -2.6 | -164.3 | -70.1 | 172.6 | 141.1 | 0 | 0 | 115.7 | ||
| 1048 | I | 41.7 | Very low | 39.2 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 60% | 0.595 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -104.2 | -5.1 | -170.1 | -61.9 | 177.8 | 0 | 0 | 0 | 113.4 | ||
| 1049 | V | 40.5 | Very low | 38.3 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 62% | 0.618 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -90.6 | -32.9 | -172.9 | -178.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1050 | E | 39.6 | Very low | 37.6 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -73.9 | -39.1 | -174.9 | -68.2 | -170.3 | 128.5 | 0 | 0 | 113.3 | R1052 L1053 | E1050-R1052 PolarHBondContact O-N 3.11Å; E1050-R1052 VanDerWaalsContact O-N 3.14Å; E1050-L1053 PolarHBondContact O-N 3.27Å |
| 1051 | E | 34.9 | Very low | 37.3 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -15.9 | -175.8 | -160.8 | -179.1 | -152.1 | 0 | 0 | 113.9 | ||
| 1052 | R | 35.1 | Very low | 37.1 | Very low | 207 Ų | 207 | 132.5 Ų | 132.5 | 78% | 0.781 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 13.2 | -176.5 | -152 | 173.5 | -68.1 | -170.3 | -0.6 | 114.3 | E1050 | E1050-R1052 PolarHBondContact O-N 3.11Å; E1050-R1052 VanDerWaalsContact O-N 3.14Å |
| 1053 | L | 36.6 | Very low | 37 | Very low | 135 Ų | 135 | 131.7 Ų | 131.7 | 71% | 0.707 | 71% | 0.705 | S | S | * | * | trans | -101.8 | -9.3 | -170.4 | -113.2 | 159.4 | 0 | 0 | 0 | 115.8 | E1050 | E1050-L1053 PolarHBondContact O-N 3.27Š| ||
| 1054 | E | 33.1 | Very low | 37.5 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 88% | 0.883 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -85.1 | -5.2 | -176.5 | -68.9 | -157.3 | 128.6 | 0 | 0 | 115.8 | ||
| 1055 | N | 28.9 | Very low | 38.4 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -121.5 | 118.7 | -176.5 | -96.7 | -67.3 | 0 | 0 | 0 | 115.1 | ||
| 1056 | Q | 32.7 | Very low | 39.3 | Very low | 155 Ų | 155 | 129 Ų | 129 | 72% | 0.724 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 63.2 | 91.7 | 160.2 | -57.3 | -169.8 | 0.2 | 0 | 0 | 119.4 | S1058 | Q1056-S1058 VanDerWaalsContact C-N 3.28Å; Q1056-S1058 WeakPolarHBondContact O-CB 3.35Å; Q1056-S1058 PolarHBondContact O-N 3.03Å; Q1056-S1058 PolarHBondContact O-OG 2.88Å |
| 1057 | N | 30.4 | Very low | 40.5 | Very low | 178 Ų | 178 | 123.5 Ų | 123.5 | 95% | 0.952 | 65% | 0.649 | S | S | * | * | trans | 44.7 | 31.6 | 133 | -69.5 | -9.5 | 0 | 0 | 0 | 119.4 | ||||
| 1058 | S | 31.4 | Very low | 41.6 | Very low | 90 Ų | 90 | 115.4 Ų | 115.4 | 63% | 0.629 | 61% | 0.613 | S | S | * | * | trans | -115.7 | 51.6 | -172 | -61 | 0 | 0 | 0 | 0 | 112.8 | Q1056 L1060 | Q1056-S1058 VanDerWaalsContact C-N 3.28Å; Q1056-S1058 WeakPolarHBondContact O-CB 3.35Å; Q1056-S1058 PolarHBondContact O-N 3.03Å; Q1056-S1058 PolarHBondContact O-OG 2.88Å; S1058-L1060 PolarHBondContact O-N 3.15Å | ||
| 1059 | S | 31.1 | Very low | 42.5 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 89% | 0.888 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 40 | -175.1 | 70.1 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1060 | L | 35.2 | Very low | 43.8 | Very low | 138 Ų | 138 | 110.7 Ų | 110.7 | 72% | 0.723 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.4 | 2.2 | -170.4 | -118.2 | 167.8 | 0 | 0 | 0 | 114.4 | S1058 | S1058-L1060 PolarHBondContact O-N 3.15Š|
| 1061 | L | 35.9 | Very low | 44.9 | Very low | 139 Ų | 139 | 102.7 Ų | 102.7 | 73% | 0.728 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -78.5 | 135 | 170.3 | -79.8 | 167.9 | 0 | 0 | 0 | 111 | G1063 | L1061-G1063 PolarHBondContact O-N 3.28Å; L1061-G1063 VanDerWaalsContact O-N 3.14Å |
| 1062 | L | 43.6 | Very low | 46.1 | Very low | 67 Ų | 67 | 95.6 Ų | 95.6 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | trans | -72.9 | 104.2 | -160.7 | -74.8 | 67.7 | 0 | 0 | 0 | 113.5 | A965 F1064 | A965-L1062 HydrophobicContact CB-CD1 3.88Å; L1062-F1064 HydrophobicContact CB-CD2 4.22Å; L1062-F1064 HydrophobicContact CB-CE2 4.04Å; L1062-F1064 HydrophobicContact CD2-CE1 4.19Å; L1062-F1064 HydrophobicContact CD2-CE2 3.85Å; L1062-F1064 HydrophobicContact CD2-CZ 3.6Å; L1062-F1064 PolarHBondContact O-N 2.77Å | ||
| 1063 | G | 46.4 | Very low | 47.6 | Very low | 74 Ų | 74 | 87.4 Ų | 87.4 | 76% | 0.763 | 49% | 0.486 | S | S | * | . | trans | -72.8 | 102.6 | 148 | 0 | 0 | 0 | 0 | 0 | 109.8 | L1061 | L1061-G1063 PolarHBondContact O-N 3.28Å; L1061-G1063 VanDerWaalsContact O-N 3.14Å | ||
| 1064 | F | 52.3 | Low | 49.1 | Very low | 53 Ų | 53 | 84.2 Ų | 84.2 | 23% | 0.232 | 47% | 0.469 | C | S | . | . | trans | -66.1 | 133.1 | 172.4 | -79 | -87.4 | 0 | 0 | 0 | 110 | F972 L1062 | F972-F1064 HydrophobicContact CG-CE1 4.41Å; L1062-F1064 HydrophobicContact CB-CD2 4.22Å; L1062-F1064 HydrophobicContact CB-CE2 4.04Å; L1062-F1064 HydrophobicContact CD2-CE1 4.19Å; L1062-F1064 HydrophobicContact CD2-CE2 3.85Å; L1062-F1064 HydrophobicContact CD2-CZ 3.6Å; L1062-F1064 PolarHBondContact O-N 2.77Å | ||
| 1065 | P | 57.9 | Low | 51 | Low | 31 Ų | 31 | 78.5 Ų | 78.5 | 20% | 0.201 | 45% | 0.445 | C | S | . | . | trans | -66.3 | 141.9 | -175.1 | -23.2 | 34.5 | 0 | 0 | 0 | 113.3 | W1067 S1068 | P1065-W1067 HydrophobicContact CB-CD2 4.06Å; P1065-W1067 HydrophobicContact CB-CG 4.06Å; P1065-W1067 HydrophobicContact CB-CZ2 4.04Å; P1065-W1067 HydrophobicContact CG-CZ2 3.84Å; P1065-W1067 PolarHBondContact O-N 2.94Å; P1065-S1068 WeakPolarHBondContact O-CB 3.28Å; P1065-S1068 PolarHBondContact O-N 2.77Å; P1065-S1068 PolarHBondContact O-OG 3.47Å | ||
| 1066 | N | 59 | Low | 53.1 | Low | 110 Ų | 110 | 72 Ų | 72 | 59% | 0.588 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.7 | -176.6 | -58.8 | 20.6 | 0 | 0 | 0 | 114.1 | P141 S1068 | P141-N1066 VanDerWaalsContact CG-O 3.31Å; P141-N1066 WeakPolarHBondContact CG-O 3.13Å; N1066-S1068 PolarHBondContact O-N 2.86Å |
| 1067 | W | 63.8 | Low | 55.2 | Low | 5 Ų | 5 | 65.5 Ų | 65.5 | 2% | 0.019 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.2 | 171.8 | 57.6 | -106.7 | 0 | 0 | 0 | 114.1 | Y189 F972 Y973 Y976 P1065 | Y189-W1067 HydrophobicContact CD1-CB 3.58Å; Y189-W1067 HydrophobicContact CE1-CB 4.27Å; Y189-W1067 HydrophobicContact CG-CB 3.97Å; F972-W1067 HydrophobicContact CE1-CH2 4.15Å; F972-W1067 AromaticContact CE1-CZ3 3.9Å; F972-W1067 HydrophobicContact CE1-CZ3 3.9Å; F972-W1067 HydrophobicContact CZ-CZ3 4.42Å; Y973-W1067 HydrophobicContact CD1-CH2 4.31Å; Y973-W1067 AromaticContact CE1-CH2 3.77Å; Y973-W1067 HydrophobicContact CE1-CH2 3.77Å; Y973-W1067 HydrophobicContact CE1-CZ2 4.08Å; Y976-W1067 HydrophobicContact CD1-CE3 4.25Å; Y976-W1067 AromaticContact CD1-CH2 3.84Å; Y976-W1067 HydrophobicContact CD1-CH2 3.84Å; Y976-W1067 AromaticContact CD1-CZ3 3.38Å; Y976-W1067 HydrophobicContact CD1-CZ3 3.38Å; Y976-W1067 HydrophobicContact CD2-CZ3 4.26Å; Y976-W1067 HydrophobicContact CE1-CD2 4.45Å; Y976-W1067 AromaticContact CE1-CE3 3.46Å; Y976-W1067 HydrophobicContact CE1-CE3 3.46Å; Y976-W1067 VanDerWaalsContact CE1-CE3 3.46Å; Y976-W1067 AromaticContact CE1-CH2 3.67Å; Y976-W1067 HydrophobicContact CE1-CH2 3.67Å; Y976-W1067 AromaticContact CE1-CZ3 3.02Å; Y976-W1067 HydrophobicContact CE1-CZ3 3.02Å; Y976-W1067 HydrophobicContact CE2-CE3 4.09Å; Y976-W1067 AromaticContact CE2-CZ3 3.99Å; Y976-W1067 HydrophobicContact CE2-CZ3 3.99Å; Y976-W1067 AromaticContact CG-CZ3 3.98Å; Y976-W1067 HydrophobicContact CG-CZ3 3.98Å; Y976-W1067 AromaticContact CZ-CE3 3.35Å; Y976-W1067 AromaticContact CZ-CZ3 3.36Å; Y976-W1067 VanDerWaalsContact OH-CE3 3.3Å; P1065-W1067 HydrophobicContact CB-CD2 4.06Å; P1065-W1067 HydrophobicContact CB-CG 4.06Å; P1065-W1067 HydrophobicContact CB-CZ2 4.04Å; P1065-W1067 HydrophobicContact CG-CZ2 3.84Å; P1065-W1067 PolarHBondContact O-N 2.94Å |
| 1068 | S | 62.6 | Low | 57.7 | Low | 6 Ų | 6 | 63.8 Ų | 63.8 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -32.1 | -167.1 | 109 | 0 | 0 | 0 | 0 | 112.4 | F972 P1065 N1066 A1071 T1072 | F972-S1068 VanDerWaalsContact CZ-OG 3.28Å; F972-S1068 WeakPolarHBondContact CZ-OG 3.27Å; P1065-S1068 WeakPolarHBondContact O-CB 3.28Å; P1065-S1068 PolarHBondContact O-N 2.77Å; P1065-S1068 PolarHBondContact O-OG 3.47Å; N1066-S1068 PolarHBondContact O-N 2.86Å; S1068-A1071 PolarHBondContact O-N 2.96Å; S1068-T1072 PolarHBondContact O-OG1 3.21Å |
| 1069 | Y | 61.3 | Low | 60.2 | Low | 111 Ų | 111 | 59.6 Ų | 59.6 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -53.1 | -46 | -177.1 | -178.5 | -96.6 | 0 | 0 | 0 | 114.8 | F1043 A1071 T1072 S1073 | F1043-Y1069 HydrophobicContact CD2-CD2 4.08Å; F1043-Y1069 HydrophobicContact CD2-CE2 4.12Å; F1043-Y1069 AromaticContact CE2-CD2 3.92Å; F1043-Y1069 HydrophobicContact CE2-CD2 3.92Å; F1043-Y1069 HydrophobicContact CE2-CE2 4.43Å; F1043-Y1069 HydrophobicContact CG-CE2 4.34Å; F1043-Y1069 HydrophobicContact CZ-CD2 4.2Å; Y1069-A1071 VanDerWaalsContact C-N 3.33Å; Y1069-A1071 PolarHBondContact O-N 3.36Å; Y1069-T1072 PolarHBondContact O-N 3.27Å; Y1069-T1072 PolarHBondContact O-OG1 3.47Å; Y1069-S1073 PolarHBondContact O-N 3.25Å |
| 1070 | P | 66.9 | Low | 62.6 | Low | 7 Ų | 7 | 53.7 Ų | 53.7 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -70.8 | -29.3 | -177 | -19.2 | 35.1 | 0 | 0 | 0 | 112.9 | P141 A143 T144 T1072 S1073 | P141-P1070 HydrophobicContact CB-CG 4.09Å; P141-P1070 HydrophobicContact CG-CG 4.05Å; P141-P1070 WeakPolarHBondContact O-CG 3.09Å; A143-P1070 WeakPolarHBondContact O-CB 3.42Å; T144-P1070 HydrophobicContact CG2-CB 4.26Å; P1070-T1072 VanDerWaalsContact C-N 3.26Å; P1070-T1072 PolarHBondContact O-N 2.89Å; P1070-S1073 VanDerWaalsContact O-CB 3.3Å; P1070-S1073 WeakPolarHBondContact O-CB 3.3Å; P1070-S1073 PolarHBondContact O-N 3.31Å; P1070-S1073 VanDerWaalsContact O-N 3.07Å; P1070-S1073 PolarHBondContact O-OG 3.49Å |
| 1071 | A | 63.9 | Low | 64.9 | Low | 7 Ų | 7 | 49.4 Ų | 49.4 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -71.8 | -21.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y976 Q979 S1068 Y1069 | Y976-A1071 HydrophobicContact CD2-CB 3.63Å; Y976-A1071 HydrophobicContact CE2-CB 3.59Å; Q979-A1071 PolarHBondContact NE2-O 2.83Å; S1068-A1071 PolarHBondContact O-N 2.96Å; Y1069-A1071 VanDerWaalsContact C-N 3.33Å; Y1069-A1071 PolarHBondContact O-N 3.36Å |
| 1072 | T | 60.5 | Low | 67.4 | Low | 41 Ų | 41 | 45 Ų | 45 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -90.1 | -6.2 | 168.4 | 28.8 | 0 | 0 | 0 | 0 | 114.5 | F972 W1035 S1068 Y1069 P1070 | F972-T1072 HydrophobicContact CD2-CG2 3.96Å; F972-T1072 HydrophobicContact CE2-CG2 3.46Å; F972-T1072 VanDerWaalsContact CE2-CG2 3.46Å; F972-T1072 HydrophobicContact CZ-CG2 4.48Å; W1035-T1072 HydrophobicContact CH2-CG2 3.6Å; W1035-T1072 HydrophobicContact CZ3-CG2 4.17Å; S1068-T1072 PolarHBondContact O-OG1 3.21Å; Y1069-T1072 PolarHBondContact O-N 3.27Å; Y1069-T1072 PolarHBondContact O-OG1 3.47Å; P1070-T1072 VanDerWaalsContact C-N 3.26Å; P1070-T1072 PolarHBondContact O-N 2.89Å |
| 1073 | S | 67.1 | Low | 69.4 | Low | 35 Ų | 35 | 41.8 Ų | 41.8 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -68.3 | 144.6 | 177.1 | 75.8 | 0 | 0 | 0 | 0 | 111 | Y1069 P1070 N1075 A1076 | Y1069-S1073 PolarHBondContact O-N 3.25Å; P1070-S1073 VanDerWaalsContact O-CB 3.3Å; P1070-S1073 WeakPolarHBondContact O-CB 3.3Å; P1070-S1073 PolarHBondContact O-N 3.31Å; P1070-S1073 VanDerWaalsContact O-N 3.07Å; P1070-S1073 PolarHBondContact O-OG 3.49Å; S1073-N1075 PolarHBondContact O-N 2.96Å; S1073-A1076 WeakPolarHBondContact O-CB 3.38Å; S1073-A1076 PolarHBondContact O-N 3.43Å; S1073-A1076 VanDerWaalsContact O-N 3.11Å |
| 1074 | D | 66.8 | Low | 71.2 | Confident | 67 Ų | 67 | 38.2 Ų | 38.2 | 36% | 0.358 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17.1 | 177 | -74.7 | -38.8 | 0 | 0 | 0 | 113.3 | R1021 Y1025 | R1021-D1074 IonicContact CZ-OD1 2.66Å; R1021-D1074 PolarHBondContact NH1-O 3.19Å; R1021-D1074 VanDerWaalsContact NH2-CG 3.3Å; R1021-D1074 PolarHBondContact NH2-O 3.16Å; R1021-D1074 IonicContact NH2-OD1 2.71Å; R1021-D1074 PolarHBondContact NH2-OD1 3.14Å; Y1025-D1074 PolarHBondContact OH-OD1 3.03Å |
| 1075 | N | 74 | Confident | 72.9 | Confident | 69 Ų | 69 | 39.8 Ų | 39.8 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -18.8 | -177.9 | -60.4 | -44.9 | 0 | 0 | 0 | 114 | Y77 L81 S1073 V1077 Y1078 E1079 | Y77-N1075 PolarHBondContact OH-O 2.86Å; L81-N1075 HydrophobicContact CD2-CB 3.87Å; S1073-N1075 PolarHBondContact O-N 2.96Å; N1075-V1077 PolarHBondContact O-N 3.12Å; N1075-V1077 VanDerWaalsContact O-N 3.13Å; N1075-Y1078 PolarHBondContact O-N 3.08Å; N1075-E1079 PolarHBondContact O-N 3.22Å |
| 1076 | A | 73.1 | Confident | 74.4 | Confident | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.9 | -34.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T144 S1073 Y1078 E1079 Y1080 | T144-A1076 HydrophobicContact CG2-CB 4.02Å; S1073-A1076 WeakPolarHBondContact O-CB 3.38Å; S1073-A1076 PolarHBondContact O-N 3.43Å; S1073-A1076 VanDerWaalsContact O-N 3.11Å; A1076-Y1078 VanDerWaalsContact C-N 3.34Å; A1076-Y1078 PolarHBondContact O-N 3.42Å; A1076-E1079 WeakPolarHBondContact O-CB 2.79Å; A1076-E1079 PolarHBondContact O-N 3.01Å; A1076-E1079 VanDerWaalsContact O-N 3.15Å; A1076-Y1080 WeakPolarHBondContact O-CD2 3.32Å; A1076-Y1080 PolarHBondContact O-N 2.88Å; A1076-Y1080 VanDerWaalsContact O-N 3.13Å |
| 1077 | V | 76.4 | Confident | 75.6 | Confident | 18 Ų | 18 | 33.7 Ų | 33.7 | 11% | 0.109 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.7 | -37.4 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 112 | I1017 R1021 N1075 E1079 Y1080 I1081 | I1017-V1077 HydrophobicContact CG2-CB 4.42Å; I1017-V1077 HydrophobicContact CG2-CG1 4.08Å; I1017-V1077 HydrophobicContact CG2-CG2 3.81Å; R1021-V1077 VanDerWaalsContact NH1-CG2 3.33Å; N1075-V1077 PolarHBondContact O-N 3.12Å; N1075-V1077 VanDerWaalsContact O-N 3.13Å; V1077-E1079 VanDerWaalsContact C-N 3.32Å; V1077-Y1080 PolarHBondContact O-N 3.06Å; V1077-I1081 HydrophobicContact CG1-CD1 4.1Å; V1077-I1081 WeakPolarHBondContact O-CG1 3.34Å; V1077-I1081 PolarHBondContact O-N 3.22Å |
| 1078 | Y | 82.6 | Confident | 76.7 | Confident | 142 Ų | 142 | 35.1 Ų | 35.1 | 56% | 0.557 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -68.7 | -32.7 | 175 | -56.4 | -68.1 | 0 | 0 | 0 | 111.5 | N1075 A1076 I1081 M1082 | N1075-Y1078 PolarHBondContact O-N 3.08Å; A1076-Y1078 VanDerWaalsContact C-N 3.34Å; A1076-Y1078 PolarHBondContact O-N 3.42Å; Y1078-I1081 HydrophobicContact CD1-CD1 4.46Å; Y1078-I1081 PolarHBondContact O-N 3.19Å; Y1078-M1082 WeakPolarHBondContact O-CG 3.11Å; Y1078-M1082 PolarHBondContact O-N 3.29Å |
| 1079 | E | 83.5 | Confident | 77.9 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -49 | 171.3 | -152 | -175.3 | 92 | 0 | 0 | 111.3 | W74 Y77 T144 F147 N1075 A1076 V1077 I1081 M1082 I1083 | W74-E1079 HydrophobicContact CH2-CG 4.1Å; W74-E1079 HydrophobicContact CZ3-CG 4.11Å; Y77-E1079 HydrophobicContact CE1-CG 4.12Å; Y77-E1079 WeakPolarHBondContact OH-CA 3.22Å; Y77-E1079 VanDerWaalsContact OH-CB 3.24Å; Y77-E1079 WeakPolarHBondContact OH-CB 3.46Å; Y77-E1079 PolarHBondContact OH-N 2.97Å; T144-E1079 VanDerWaalsContact CB-OE1 3.31Å; T144-E1079 WeakPolarHBondContact CB-OE1 3.5Å; T144-E1079 WeakPolarHBondContact CG2-OE1 3.3Å; T144-E1079 PolarHBondContact N-OE2 2.99Å; T144-E1079 PolarHBondContact OG1-OE1 2.85Å; F147-E1079 HydrophobicContact CB-CG 3.91Å; F147-E1079 WeakPolarHBondContact CB-OE1 3.38Å; F147-E1079 PolarHBondContact N-OE1 3.36Å; F147-E1079 VanDerWaalsContact N-OE1 3.15Å; N1075-E1079 PolarHBondContact O-N 3.22Å; A1076-E1079 WeakPolarHBondContact O-CB 2.79Å; A1076-E1079 PolarHBondContact O-N 3.01Å; A1076-E1079 VanDerWaalsContact O-N 3.15Å; V1077-E1079 VanDerWaalsContact C-N 3.32Å; E1079-I1081 PolarHBondContact O-N 2.91Å; E1079-M1082 PolarHBondContact O-N 2.83Å; E1079-I1083 HydrophobicContact CG-CD1 4.44Å; E1079-I1083 WeakPolarHBondContact O-CG1 3.43Å; E1079-I1083 PolarHBondContact O-N 2.75Å |
| 1080 | Y | 80.9 | Confident | 79.2 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 178.7 | -77.4 | -75.2 | 0 | 0 | 0 | 113.5 | A146 Q979 L983 F986 I1017 A1076 V1077 I1083 G1084 | A146-Y1080 HydrophobicContact CB-CE1 3.58Å; A146-Y1080 WeakPolarHBondContact CB-OH 3.37Å; Q979-Y1080 HydrophobicContact CB-CE2 4.17Å; Q979-Y1080 WeakPolarHBondContact CB-OH 3.44Å; Q979-Y1080 HydrophobicContact CG-CE2 4.26Å; L983-Y1080 HydrophobicContact CB-CE1 4.23Å; F986-Y1080 HydrophobicContact CE2-CD1 4.28Å; I1017-Y1080 HydrophobicContact CD1-CD1 4.44Å; I1017-Y1080 HydrophobicContact CD1-CG 3.9Å; A1076-Y1080 WeakPolarHBondContact O-CD2 3.32Å; A1076-Y1080 PolarHBondContact O-N 2.88Å; A1076-Y1080 VanDerWaalsContact O-N 3.13Å; V1077-Y1080 PolarHBondContact O-N 3.06Å; Y1080-I1083 HydrophobicContact CD1-CD1 4.37Å; Y1080-I1083 PolarHBondContact O-N 2.93Å; Y1080-G1084 PolarHBondContact O-N 3.14Å |
| 1081 | I | 84.4 | Confident | 80 | Confident | 48 Ų | 48 | 33.5 Ų | 33.5 | 25% | 0.246 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 172.9 | -70.1 | 165.2 | 0 | 0 | 0 | 110.2 | I1014 V1077 Y1078 E1079 G1084 L1085 | I1014-I1081 HydrophobicContact CG2-CG1 3.91Å; V1077-I1081 HydrophobicContact CG1-CD1 4.1Å; V1077-I1081 WeakPolarHBondContact O-CG1 3.34Å; V1077-I1081 PolarHBondContact O-N 3.22Å; Y1078-I1081 HydrophobicContact CD1-CD1 4.46Å; Y1078-I1081 PolarHBondContact O-N 3.19Å; E1079-I1081 PolarHBondContact O-N 2.91Å; I1081-G1084 PolarHBondContact O-N 2.69Å; I1081-L1085 HydrophobicContact CG2-CD1 3.92Å; I1081-L1085 HydrophobicContact CG2-CG 4.46Å; I1081-L1085 WeakPolarHBondContact O-CG 3.48Å; I1081-L1085 PolarHBondContact O-N 3.29Å |
| 1082 | M | 87.4 | Confident | 81.1 | Confident | 45 Ų | 45 | 34 Ų | 34 | 22% | 0.222 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 175.5 | -71.2 | -60.3 | -66 | 0 | 0 | 112.1 | A73 W74 Y77 Y1078 E1079 G1084 L1085 L1086 | A73-M1082 HydrophobicContact CB-CE 3.98Å; W74-M1082 HydrophobicContact CH2-CB 4.01Å; W74-M1082 HydrophobicContact CZ3-CB 4.27Å; Y77-M1082 HydrophobicContact CD2-CG 3.85Å; Y77-M1082 HydrophobicContact CE2-CG 4.36Å; Y1078-M1082 WeakPolarHBondContact O-CG 3.11Å; Y1078-M1082 PolarHBondContact O-N 3.29Å; E1079-M1082 PolarHBondContact O-N 2.83Å; M1082-G1084 VanDerWaalsContact C-N 3.35Å; M1082-G1084 PolarHBondContact O-N 2.91Å; M1082-L1085 PolarHBondContact O-N 3.46Å; M1082-L1086 VanDerWaalsContact O-CB 3.28Å; M1082-L1086 WeakPolarHBondContact O-CB 3.31Å; M1082-L1086 WeakPolarHBondContact O-CD1 3.33Å; M1082-L1086 VanDerWaalsContact O-CG 3.27Å; M1082-L1086 WeakPolarHBondContact O-CG 3.12Å; M1082-L1086 PolarHBondContact O-N 2.99Å |
| 1083 | I | 86.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 174.2 | -72.8 | 164.5 | 0 | 0 | 0 | 111.3 | W74 A146 S150 L983 F986 E1079 Y1080 T1087 | W74-I1083 HydrophobicContact CH2-CG1 3.89Å; W74-I1083 HydrophobicContact CZ2-CG1 3.94Å; A146-I1083 HydrophobicContact CB-CD1 4.21Å; S150-I1083 WeakPolarHBondContact OG-CG2 3.32Å; L983-I1083 HydrophobicContact CD1-CG2 4.28Å; F986-I1083 HydrophobicContact CB-CG2 4.45Å; F986-I1083 HydrophobicContact CD2-CG2 3.75Å; F986-I1083 HydrophobicContact CE2-CG2 4.45Å; E1079-I1083 HydrophobicContact CG-CD1 4.44Å; E1079-I1083 WeakPolarHBondContact O-CG1 3.43Å; E1079-I1083 PolarHBondContact O-N 2.75Å; Y1080-I1083 HydrophobicContact CD1-CD1 4.37Å; Y1080-I1083 PolarHBondContact O-N 2.93Å; I1083-T1087 WeakPolarHBondContact O-CB 3.17Å; I1083-T1087 PolarHBondContact O-N 3.12Å; I1083-T1087 PolarHBondContact O-OG1 2.96Å |
| 1084 | G | 84 | Confident | 83.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -50.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1010 Y1080 I1081 M1082 L1086 T1087 L1088 | C1010-G1084 VanDerWaalsContact SG-C 3.57Å; C1010-G1084 WeakPolarHBondContact SG-CA 3.36Å; C1010-G1084 PolarHBondContact SG-O 3.16Å; Y1080-G1084 PolarHBondContact O-N 3.14Å; I1081-G1084 PolarHBondContact O-N 2.69Å; M1082-G1084 VanDerWaalsContact C-N 3.35Å; M1082-G1084 PolarHBondContact O-N 2.91Å; G1084-L1086 PolarHBondContact O-N 2.94Å; G1084-T1087 PolarHBondContact O-N 2.9Å; G1084-L1088 WeakPolarHBondContact O-CB 3.45Å; G1084-L1088 PolarHBondContact O-N 2.91Å |
| 1085 | L | 88 | Confident | 84.3 | Confident | 85 Ų | 85 | 28.4 Ų | 28.4 | 45% | 0.445 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 178.6 | -70 | 171.6 | 0 | 0 | 0 | 112.4 | I1081 M1082 L1088 I1089 | I1081-L1085 HydrophobicContact CG2-CD1 3.92Å; I1081-L1085 HydrophobicContact CG2-CG 4.46Å; I1081-L1085 WeakPolarHBondContact O-CG 3.48Å; I1081-L1085 PolarHBondContact O-N 3.29Å; M1082-L1085 PolarHBondContact O-N 3.46Å; L1085-L1088 PolarHBondContact O-N 3.47Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.22Å; L1085-I1089 PolarHBondContact O-N 3.34Å |
| 1086 | L | 89 | Confident | 84.9 | Confident | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.052 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -42.9 | 178 | -75.9 | 169.2 | 0 | 0 | 0 | 112.2 | F69 L70 A73 W74 M1082 G1084 I1089 L1090 | F69-L1086 HydrophobicContact CD1-CD2 4.25Å; F69-L1086 HydrophobicContact CE1-CD2 3.84Å; L70-L1086 HydrophobicContact CD1-CD1 3.77Å; L70-L1086 HydrophobicContact CD1-CD2 4.05Å; L70-L1086 HydrophobicContact CD1-CG 4.35Å; A73-L1086 HydrophobicContact CB-CD1 4.16Å; A73-L1086 HydrophobicContact CB-CD2 3.69Å; A73-L1086 HydrophobicContact CB-CG 4.35Å; W74-L1086 HydrophobicContact CD2-CD1 4.45Å; W74-L1086 HydrophobicContact CZ2-CD1 3.82Å; M1082-L1086 VanDerWaalsContact O-CB 3.28Å; M1082-L1086 WeakPolarHBondContact O-CB 3.31Å; M1082-L1086 WeakPolarHBondContact O-CD1 3.33Å; M1082-L1086 VanDerWaalsContact O-CG 3.27Å; M1082-L1086 WeakPolarHBondContact O-CG 3.12Å; M1082-L1086 PolarHBondContact O-N 2.99Å; G1084-L1086 PolarHBondContact O-N 2.94Å; L1086-I1089 PolarHBondContact O-N 3.49Å; L1086-L1090 WeakPolarHBondContact O-CB 3.34Å; L1086-L1090 PolarHBondContact O-N 3.43Å |
| 1087 | T | 85.7 | Confident | 85.5 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.025 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.6 | -55.3 | 0 | 0 | 0 | 0 | 111 | Q154 I1083 G1084 L1090 V1091 | Q154-T1087 PolarHBondContact NE2-OG1 3.41Å; I1083-T1087 WeakPolarHBondContact O-CB 3.17Å; I1083-T1087 PolarHBondContact O-N 3.12Å; I1083-T1087 PolarHBondContact O-OG1 2.96Å; G1084-T1087 PolarHBondContact O-N 2.9Å; T1087-L1090 PolarHBondContact O-N 2.97Å; T1087-V1091 HydrophobicContact CG2-CG2 4.23Å; T1087-V1091 WeakPolarHBondContact O-CB 3.39Å; T1087-V1091 VanDerWaalsContact O-CG2 3.28Å; T1087-V1091 WeakPolarHBondContact O-CG2 3.21Å; T1087-V1091 PolarHBondContact O-N 2.96Å |
| 1088 | L | 86.6 | Confident | 85.8 | Confident | 35 Ų | 35 | 31.1 Ų | 31.1 | 18% | 0.183 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 179.3 | -176.2 | 60.3 | 0 | 0 | 0 | 112.4 | A1006 T1007 G1084 L1085 G1092 | A1006-L1088 HydrophobicContact CB-CD1 3.79Å; T1007-L1088 HydrophobicContact CG2-CD2 4.12Å; G1084-L1088 WeakPolarHBondContact O-CB 3.45Å; G1084-L1088 PolarHBondContact O-N 2.91Å; L1085-L1088 PolarHBondContact O-N 3.47Å; L1088-G1092 PolarHBondContact O-N 3.32Å |
| 1089 | I | 88.3 | Confident | 85.9 | Confident | 82 Ų | 82 | 24.8 Ų | 24.8 | 42% | 0.421 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.9 | -69.6 | 166.4 | 0 | 0 | 0 | 110.4 | F69 L1085 L1086 G1092 A1093 | F69-I1089 HydrophobicContact CD1-CG2 4.47Å; F69-I1089 HydrophobicContact CE1-CB 4.49Å; F69-I1089 HydrophobicContact CE1-CD1 3.88Å; F69-I1089 HydrophobicContact CE1-CG2 3.89Å; F69-I1089 HydrophobicContact CZ-CD1 3.83Å; F69-I1089 HydrophobicContact CZ-CG2 4.48Å; L1085-I1089 WeakPolarHBondContact O-CG1 3.22Å; L1085-I1089 PolarHBondContact O-N 3.34Å; L1086-I1089 PolarHBondContact O-N 3.49Å; I1089-G1092 PolarHBondContact O-N 3.04Å; I1089-A1093 WeakPolarHBondContact O-CB 3.21Å; I1089-A1093 PolarHBondContact O-N 3.29Å |
| 1090 | L | 87.5 | Confident | 85.9 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -50.8 | 177.4 | 178.2 | 60.6 | 0 | 0 | 0 | 111.6 | L66 Q154 L157 I158 L1086 T1087 G1092 A1093 L1094 | L66-L1090 HydrophobicContact CD1-CD1 4.03Å; L66-L1090 HydrophobicContact CD2-CD1 4.46Å; Q154-L1090 HydrophobicContact CB-CD2 3.88Å; Q154-L1090 HydrophobicContact CG-CD2 3.91Å; L157-L1090 HydrophobicContact CD2-CD2 4.29Å; I158-L1090 HydrophobicContact CD1-CD1 4.03Å; I158-L1090 HydrophobicContact CD1-CD2 4.46Å; I158-L1090 HydrophobicContact CG1-CD1 3.52Å; I158-L1090 HydrophobicContact CG1-CD2 4.22Å; L1086-L1090 WeakPolarHBondContact O-CB 3.34Å; L1086-L1090 PolarHBondContact O-N 3.43Å; T1087-L1090 PolarHBondContact O-N 2.97Å; L1090-G1092 PolarHBondContact O-N 3.46Å; L1090-A1093 PolarHBondContact O-N 3.46Å; L1090-L1094 HydrophobicContact CD1-CD1 3.81Å; L1090-L1094 HydrophobicContact CD1-CD2 4.47Å; L1090-L1094 HydrophobicContact CD1-CG 3.91Å; L1090-L1094 HydrophobicContact CG-CD1 3.98Å; L1090-L1094 HydrophobicContact CG-CG 4.4Å; L1090-L1094 WeakPolarHBondContact O-CB 3.23Å; L1090-L1094 VanDerWaalsContact O-CG 3.31Å; L1090-L1094 WeakPolarHBondContact O-CG 3.24Å; L1090-L1094 PolarHBondContact O-N 2.91Å |
| 1091 | V | 84.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | -179 | 167.8 | 0 | 0 | 0 | 0 | 111.4 | I989 N990 T992 A1006 T1087 N1095 | I989-V1091 HydrophobicContact CG2-CG1 4.24Å; I989-V1091 HydrophobicContact CG2-CG2 4.29Å; N990-V1091 HydrophobicContact CB-CG2 4.47Å; N990-V1091 WeakPolarHBondContact OD1-CG2 3.45Å; T992-V1091 WeakPolarHBondContact OG1-CG1 3.22Å; A1006-V1091 HydrophobicContact CB-CG1 4.18Å; T1087-V1091 HydrophobicContact CG2-CG2 4.23Å; T1087-V1091 WeakPolarHBondContact O-CB 3.39Å; T1087-V1091 VanDerWaalsContact O-CG2 3.28Å; T1087-V1091 WeakPolarHBondContact O-CG2 3.21Å; T1087-V1091 PolarHBondContact O-N 2.96Å; V1091-N1095 VanDerWaalsContact CG1-ND2 3.33Å; V1091-N1095 WeakPolarHBondContact CG1-ND2 3.35Å; V1091-N1095 WeakPolarHBondContact O-CB 3.39Å; V1091-N1095 PolarHBondContact O-N 2.68Å; V1091-N1095 PolarHBondContact O-ND2 3.01Å; V1091-N1095 VanDerWaalsContact O-ND2 3.12Å |
| 1092 | G | 86.7 | Confident | 85.7 | Confident | 17 Ų | 17 | 24.3 Ų | 24.3 | 18% | 0.175 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | L1088 I1089 L1090 R1096 | L1088-G1092 PolarHBondContact O-N 3.32Å; I1089-G1092 PolarHBondContact O-N 3.04Å; L1090-G1092 PolarHBondContact O-N 3.46Å; G1092-R1096 WeakPolarHBondContact O-CB 3.4Å; G1092-R1096 PolarHBondContact O-N 3.44Å; G1092-R1096 VanDerWaalsContact O-N 3.12Å |
| 1093 | A | 88.6 | Confident | 85.6 | Confident | 26 Ų | 26 | 22.3 Ų | 22.3 | 22% | 0.215 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -49.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F62 L66 I1089 L1090 R1096 E1097 | F62-A1093 HydrophobicContact CZ-CB 4.02Å; L66-A1093 HydrophobicContact CD2-CB 4.34Å; I1089-A1093 WeakPolarHBondContact O-CB 3.21Å; I1089-A1093 PolarHBondContact O-N 3.29Å; L1090-A1093 PolarHBondContact O-N 3.46Å; A1093-R1096 PolarHBondContact O-N 3.22Å; A1093-E1097 PolarHBondContact O-N 3.33Å |
| 1094 | L | 87.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.4 | -66.9 | 179.8 | 0 | 0 | 0 | 111.8 | L66 L157 T161 M162 L993 L1090 R1096 E1097 F1098 | L66-L1094 HydrophobicContact CD1-CD2 4.49Å; L157-L1094 HydrophobicContact CD2-CD1 4.09Å; L157-L1094 HydrophobicContact CG-CD1 3.98Å; T161-L1094 WeakPolarHBondContact OG1-CD2 3.47Å; M162-L1094 HydrophobicContact CE-CD2 3.5Å; M162-L1094 VanDerWaalsContact CE-CD2 3.5Å; M162-L1094 HydrophobicContact CG-CD2 4.08Å; L993-L1094 HydrophobicContact CD1-CD1 4.28Å; L993-L1094 HydrophobicContact CD2-CB 3.6Å; L993-L1094 HydrophobicContact CD2-CD1 4.32Å; L1090-L1094 HydrophobicContact CD1-CD1 3.81Å; L1090-L1094 HydrophobicContact CD1-CD2 4.47Å; L1090-L1094 HydrophobicContact CD1-CG 3.91Å; L1090-L1094 HydrophobicContact CG-CD1 3.98Å; L1090-L1094 HydrophobicContact CG-CG 4.4Å; L1090-L1094 WeakPolarHBondContact O-CB 3.23Å; L1090-L1094 VanDerWaalsContact O-CG 3.31Å; L1090-L1094 WeakPolarHBondContact O-CG 3.24Å; L1090-L1094 PolarHBondContact O-N 2.91Å; L1094-R1096 VanDerWaalsContact C-N 3.3Å; L1094-R1096 PolarHBondContact O-N 3.4Å; L1094-E1097 PolarHBondContact O-N 3.21Å; L1094-F1098 HydrophobicContact CB-CD2 4.49Å; L1094-F1098 HydrophobicContact CB-CE2 4.38Å; L1094-F1098 WeakPolarHBondContact O-CD2 3.37Å; L1094-F1098 PolarHBondContact O-N 3.05Å |
| 1095 | N | 85.8 | Confident | 85 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 179 | -89.7 | -43.6 | 0 | 0 | 0 | 112.9 | T992 L993 K1002 V1091 F1098 D1099 | T992-N1095 PolarHBondContact O-OD1 2.93Å; T992-N1095 PolarHBondContact OG1-ND2 3.23Å; L993-N1095 WeakPolarHBondContact CA-OD1 3.27Å; K1002-N1095 HydrophobicContact CD-CB 4.45Å; K1002-N1095 WeakPolarHBondContact CD-OD1 3.47Å; K1002-N1095 WeakPolarHBondContact CE-OD1 3.33Å; K1002-N1095 PolarHBondContact NZ-OD1 3.23Å; V1091-N1095 VanDerWaalsContact CG1-ND2 3.33Å; V1091-N1095 WeakPolarHBondContact CG1-ND2 3.35Å; V1091-N1095 WeakPolarHBondContact O-CB 3.39Å; V1091-N1095 PolarHBondContact O-N 2.68Å; V1091-N1095 PolarHBondContact O-ND2 3.01Å; V1091-N1095 VanDerWaalsContact O-ND2 3.12Å; N1095-F1098 PolarHBondContact O-N 2.95Å; N1095-D1099 PolarHBondContact O-N 3.46Å; N1095-D1099 VanDerWaalsContact O-N 3.11Å |
| 1096 | R | 86.7 | Confident | 84.8 | Confident | 97 Ų | 97 | 20.6 Ų | 20.6 | 37% | 0.366 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.5 | -177.1 | 171.4 | 177.4 | -76.4 | 0.2 | 111.5 | R783 L786 G1092 A1093 L1094 F1098 D1099 I1100 | R783-R1096 PolarHBondContact O-NH2 3.12Å; L786-R1096 HydrophobicContact CD1-CG 4.25Å; L786-R1096 HydrophobicContact CD2-CG 4.4Å; G1092-R1096 WeakPolarHBondContact O-CB 3.4Å; G1092-R1096 PolarHBondContact O-N 3.44Å; G1092-R1096 VanDerWaalsContact O-N 3.12Å; A1093-R1096 PolarHBondContact O-N 3.22Å; L1094-R1096 VanDerWaalsContact C-N 3.3Å; L1094-R1096 PolarHBondContact O-N 3.4Å; R1096-F1098 PolarHBondContact O-N 2.7Å; R1096-D1099 PolarHBondContact O-N 3.48Å; R1096-I1100 HydrophobicContact CG-CD1 3.86Å; R1096-I1100 WeakPolarHBondContact O-CD1 3.25Å; R1096-I1100 WeakPolarHBondContact O-CG1 3.27Å; R1096-I1100 PolarHBondContact O-N 3.23Å; R1096-I1100 VanDerWaalsContact O-N 3.13Å |
| 1097 | E | 85.3 | Confident | 84.4 | Confident | 37 Ų | 37 | 21 Ų | 21 | 17% | 0.173 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.9 | 179.7 | 58.8 | -165 | 0 | 0 | 111.7 | R59 M162 A1093 L1094 I1100 N1101 | R59-E1097 IonicContact NE-OE1 3.93Å; M162-E1097 HydrophobicContact CE-CB 4.13Å; M162-E1097 HydrophobicContact CE-CG 3.64Å; M162-E1097 HydrophobicContact SD-CG 4.32Å; A1093-E1097 PolarHBondContact O-N 3.33Å; L1094-E1097 PolarHBondContact O-N 3.21Å; E1097-I1100 PolarHBondContact O-N 3.49Å; E1097-N1101 PolarHBondContact O-N 3.12Å; E1097-N1101 PolarHBondContact O-ND2 3.23Å; E1097-N1101 PolarHBondContact OE1-ND2 3.45Å |
| 1098 | F | 83.4 | Confident | 84 | Confident | 11 Ų | 11 | 22.7 Ų | 22.7 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.6 | -75.7 | -62.5 | 0 | 0 | 0 | 114 | T161 L214 L993 T995 L1094 N1095 R1096 N1101 F1102 | T161-F1098 HydrophobicContact CG2-CE2 4.05Å; T161-F1098 HydrophobicContact CG2-CZ 3.84Å; L214-F1098 HydrophobicContact CB-CE1 4.48Å; L214-F1098 HydrophobicContact CB-CZ 3.96Å; L214-F1098 HydrophobicContact CD1-CE2 4.22Å; L214-F1098 HydrophobicContact CD1-CZ 4.41Å; L214-F1098 HydrophobicContact CD2-CE2 4.28Å; L214-F1098 HydrophobicContact CD2-CZ 4.3Å; L214-F1098 HydrophobicContact CG-CZ 4.46Å; L993-F1098 HydrophobicContact CD2-CD2 4.49Å; T995-F1098 HydrophobicContact CG2-CB 4.37Å; L1094-F1098 HydrophobicContact CB-CD2 4.49Å; L1094-F1098 HydrophobicContact CB-CE2 4.38Å; L1094-F1098 WeakPolarHBondContact O-CD2 3.37Å; L1094-F1098 PolarHBondContact O-N 3.05Å; N1095-F1098 PolarHBondContact O-N 2.95Å; R1096-F1098 PolarHBondContact O-N 2.7Å; F1098-N1101 PolarHBondContact O-N 3.05Å; F1098-F1102 WeakPolarHBondContact O-CB 3.37Å; F1098-F1102 PolarHBondContact O-N 3.36Å |
| 1099 | D | 83.8 | Confident | 83.4 | Confident | 9 Ų | 9 | 22.6 Ų | 22.6 | 5% | 0.048 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.9 | -165.4 | -30.8 | 0 | 0 | 0 | 110.8 | L786 S999 N1095 R1096 F1102 R1103 | L786-D1099 HydrophobicContact CD1-CB 4.03Å; S999-D1099 WeakPolarHBondContact CB-OD2 3.37Å; S999-D1099 PolarHBondContact N-OD2 2.94Å; S999-D1099 PolarHBondContact OG-OD2 2.67Å; N1095-D1099 PolarHBondContact O-N 3.46Å; N1095-D1099 VanDerWaalsContact O-N 3.11Å; R1096-D1099 PolarHBondContact O-N 3.48Å; D1099-F1102 PolarHBondContact O-N 3.1Å; D1099-R1103 WeakPolarHBondContact O-CB 3.48Å; D1099-R1103 WeakPolarHBondContact O-CG 3.34Å; D1099-R1103 PolarHBondContact O-N 3.48Å; D1099-R1103 VanDerWaalsContact OD1-CD 3.28Å; D1099-R1103 WeakPolarHBondContact OD1-CD 3.45Å; D1099-R1103 IonicContact OD1-NE 3.03Å; D1099-R1103 PolarHBondContact OD1-NE 2.91Å |
| 1100 | I | 84.5 | Confident | 82.9 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.4 | -46 | 177.4 | -67 | 168.4 | 0 | 0 | 0 | 111.8 | F778 P779 I781 L786 R1096 E1097 F1102 R1103 L1104 | F778-I1100 HydrophobicContact CD1-CG2 4.22Å; F778-I1100 HydrophobicContact CE1-CD1 3.97Å; F778-I1100 HydrophobicContact CE1-CG1 4.49Å; F778-I1100 HydrophobicContact CE1-CG2 3.67Å; F778-I1100 HydrophobicContact CE2-CG2 4.15Å; F778-I1100 HydrophobicContact CZ-CD1 3.84Å; F778-I1100 HydrophobicContact CZ-CG2 3.64Å; P779-I1100 HydrophobicContact CG-CG2 4.4Å; I781-I1100 HydrophobicContact CD1-CG1 3.83Å; I781-I1100 HydrophobicContact CD1-CG2 4.31Å; L786-I1100 HydrophobicContact CD1-CG1 4.22Å; L786-I1100 HydrophobicContact CD2-CD1 3.97Å; L786-I1100 HydrophobicContact CD2-CG1 3.95Å; R1096-I1100 HydrophobicContact CG-CD1 3.86Å; R1096-I1100 WeakPolarHBondContact O-CD1 3.25Å; R1096-I1100 WeakPolarHBondContact O-CG1 3.27Å; R1096-I1100 PolarHBondContact O-N 3.23Å; R1096-I1100 VanDerWaalsContact O-N 3.13Å; E1097-I1100 PolarHBondContact O-N 3.49Å; I1100-F1102 VanDerWaalsContact C-N 3.32Å; I1100-F1102 PolarHBondContact O-N 3.4Å; I1100-R1103 PolarHBondContact O-N 2.86Å; I1100-L1104 WeakPolarHBondContact O-CB 3.49Å; I1100-L1104 PolarHBondContact O-N 3.31Å |
| 1101 | N | 79.7 | Confident | 82.3 | Confident | 29 Ų | 29 | 23.3 Ų | 23.3 | 16% | 0.155 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 177.1 | -79.1 | -93.2 | 0 | 0 | 0 | 112.1 | R59 E1097 F1098 L1104 S1105 | R59-N1101 PolarHBondContact NH2-OD1 3.13Å; E1097-N1101 PolarHBondContact O-N 3.12Å; E1097-N1101 PolarHBondContact O-ND2 3.23Å; E1097-N1101 PolarHBondContact OE1-ND2 3.45Å; F1098-N1101 PolarHBondContact O-N 3.05Å; N1101-L1104 PolarHBondContact O-N 3.33Å; N1101-S1105 PolarHBondContact O-N 3.38Å; N1101-S1105 VanDerWaalsContact O-N 3.17Å |
| 1102 | F | 80.5 | Confident | 81.6 | Confident | 11 Ų | 11 | 23.9 Ų | 23.9 | 5% | 0.048 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.6 | -44.9 | 176.2 | -177.6 | -117 | 0 | 0 | 0 | 112.1 | W221 Y797 G801 L802 F1098 D1099 I1100 L1104 S1105 F1106 | W221-F1102 HydrophobicContact CD2-CD2 4.45Å; W221-F1102 HydrophobicContact CE3-CD2 4.03Å; W221-F1102 HydrophobicContact CH2-CB 4.4Å; W221-F1102 AromaticContact CH2-CD2 3.22Å; W221-F1102 HydrophobicContact CH2-CD2 3.22Å; W221-F1102 AromaticContact CH2-CE2 3.67Å; W221-F1102 HydrophobicContact CH2-CE2 3.67Å; W221-F1102 HydrophobicContact CH2-CG 4Å; W221-F1102 AromaticContact CZ2-CD2 3.75Å; W221-F1102 HydrophobicContact CZ2-CD2 3.75Å; W221-F1102 AromaticContact CZ2-CE2 3.81Å; W221-F1102 HydrophobicContact CZ2-CE2 3.81Å; W221-F1102 HydrophobicContact CZ3-CB 3.89Å; W221-F1102 AromaticContact CZ3-CD2 3.42Å; W221-F1102 HydrophobicContact CZ3-CD2 3.42Å; W221-F1102 VanDerWaalsContact CZ3-CD2 3.42Å; W221-F1102 HydrophobicContact CZ3-CE2 4.3Å; W221-F1102 AromaticContact CZ3-CG 3.98Å; W221-F1102 HydrophobicContact CZ3-CG 3.98Å; Y797-F1102 HydrophobicContact CE2-CD1 4.07Å; Y797-F1102 AromaticContact CE2-CE1 3.83Å; Y797-F1102 HydrophobicContact CE2-CE1 3.83Å; Y797-F1102 WeakPolarHBondContact OH-CD1 3.35Å; G801-F1102 WeakPolarHBondContact O-CZ 3.43Å; L802-F1102 HydrophobicContact CD2-CE1 4.28Å; L802-F1102 HydrophobicContact CD2-CZ 3.73Å; F1098-F1102 WeakPolarHBondContact O-CB 3.37Å; F1098-F1102 PolarHBondContact O-N 3.36Å; D1099-F1102 PolarHBondContact O-N 3.1Å; I1100-F1102 VanDerWaalsContact C-N 3.32Å; I1100-F1102 PolarHBondContact O-N 3.4Å; F1102-L1104 VanDerWaalsContact C-N 3.3Å; F1102-L1104 PolarHBondContact O-N 2.95Å; F1102-S1105 PolarHBondContact O-N 3.24Å; F1102-F1106 PolarHBondContact O-N 3.27Å |
| 1103 | R | 85.2 | Confident | 80.9 | Confident | 3 Ų | 3 | 26.2 Ų | 26.2 | 1% | 0.011 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.9 | -39 | 172.7 | -76.8 | 175.1 | 174.6 | -93.2 | 11.5 | 112.1 | L786 F788 E794 Y797 D1099 I1100 F1106 H1107 | L786-R1103 WeakPolarHBondContact O-CD 3.25Å; L786-R1103 PolarHBondContact O-NE 3.41Å; L786-R1103 PolarHBondContact O-NH1 3.41Å; F788-R1103 HydrophobicContact CE1-CB 4.42Å; F788-R1103 HydrophobicContact CE2-CB 4.4Å; F788-R1103 HydrophobicContact CE2-CG 4.3Å; F788-R1103 HydrophobicContact CZ-CB 3.77Å; F788-R1103 HydrophobicContact CZ-CG 4.16Å; F788-R1103 WeakPolarHBondContact CZ-O 3.42Å; E794-R1103 IonicContact OE1-NH1 2.82Å; E794-R1103 IonicContact OE1-NH2 3.6Å; E794-R1103 IonicContact OE2-CZ 3.85Å; E794-R1103 IonicContact OE2-NH1 3.78Å; E794-R1103 PolarHBondContact OE2-NH1 2.96Å; E794-R1103 IonicContact OE2-NH2 3.73Å; Y797-R1103 HydrophobicContact CE1-CG 4.02Å; Y797-R1103 HydrophobicContact CE2-CG 4.15Å; D1099-R1103 WeakPolarHBondContact O-CB 3.48Å; D1099-R1103 WeakPolarHBondContact O-CG 3.34Å; D1099-R1103 PolarHBondContact O-N 3.48Å; D1099-R1103 VanDerWaalsContact OD1-CD 3.28Å; D1099-R1103 WeakPolarHBondContact OD1-CD 3.45Å; D1099-R1103 IonicContact OD1-NE 3.03Å; D1099-R1103 PolarHBondContact OD1-NE 2.91Å; I1100-R1103 PolarHBondContact O-N 2.86Å; R1103-F1106 PolarHBondContact O-N 3.13Å; R1103-H1107 WeakPolarHBondContact O-CB 3.3Å; R1103-H1107 PolarHBondContact O-N 2.89Å |
| 1104 | L | 81.1 | Confident | 80.1 | Confident | 17 Ų | 17 | 31.2 Ų | 31.2 | 9% | 0.089 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 174.5 | -179.7 | 56 | 0 | 0 | 0 | 111.9 | I777 P779 I1100 N1101 F1102 F1106 H1107 R1108 | I777-L1104 VanDerWaalsContact O-CD1 3.27Å; I777-L1104 WeakPolarHBondContact O-CD1 3.42Å; P779-L1104 HydrophobicContact CB-CB 4.47Å; P779-L1104 HydrophobicContact CB-CD1 4.22Å; P779-L1104 HydrophobicContact CG-CB 4.11Å; I1100-L1104 WeakPolarHBondContact O-CB 3.49Å; I1100-L1104 PolarHBondContact O-N 3.31Å; N1101-L1104 PolarHBondContact O-N 3.33Å; F1102-L1104 VanDerWaalsContact C-N 3.3Å; F1102-L1104 PolarHBondContact O-N 2.95Å; L1104-F1106 PolarHBondContact O-N 3.45Å; L1104-H1107 PolarHBondContact O-N 3.34Å; L1104-R1108 HydrophobicContact CD1-CG 4.26Å; L1104-R1108 WeakPolarHBondContact O-CG 3.24Å; L1104-R1108 PolarHBondContact O-N 3.47Å; L1104-R1108 VanDerWaalsContact O-N 3.07Å |
| 1105 | S | 78 | Confident | 79.2 | Confident | 11 Ų | 11 | 32.1 Ų | 32.1 | 8% | 0.077 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 176 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | T225 N1101 F1102 H1107 R1108 D1109 | T225-S1105 WeakPolarHBondContact OG1-CB 3.2Å; T225-S1105 PolarHBondContact OG1-OG 3.15Å; N1101-S1105 PolarHBondContact O-N 3.38Å; N1101-S1105 VanDerWaalsContact O-N 3.17Å; F1102-S1105 PolarHBondContact O-N 3.24Å; S1105-H1107 VanDerWaalsContact C-N 3.29Å; S1105-H1107 PolarHBondContact O-N 2.9Å; S1105-R1108 PolarHBondContact O-N 3.49Å; S1105-D1109 WeakPolarHBondContact O-CB 3.31Å; S1105-D1109 PolarHBondContact O-N 3.5Å |
| 1106 | F | 81.8 | Confident | 78.4 | Confident | 22 Ų | 22 | 37.2 Ų | 37.2 | 10% | 0.096 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.7 | -39.8 | 177.9 | 179 | -91.2 | 0 | 0 | 0 | 112.3 | F788 Y797 L800 F1102 R1103 L1104 D1109 Y1110 | F788-F1106 HydrophobicContact CE2-CD1 4.47Å; Y797-F1106 VanDerWaalsContact CA-CE1 3.48Å; Y797-F1106 HydrophobicContact CD2-CB 4.11Å; Y797-F1106 AromaticContact CD2-CD1 3.64Å; Y797-F1106 HydrophobicContact CD2-CD1 3.64Å; Y797-F1106 HydrophobicContact CD2-CD2 4.14Å; Y797-F1106 HydrophobicContact CD2-CE1 4.13Å; Y797-F1106 AromaticContact CD2-CG 3.66Å; Y797-F1106 HydrophobicContact CD2-CG 3.66Å; Y797-F1106 HydrophobicContact CE2-CB 4.35Å; Y797-F1106 HydrophobicContact CE2-CG 4.35Å; Y797-F1106 HydrophobicContact CG-CD1 4.2Å; Y797-F1106 HydrophobicContact CG-CE1 4.38Å; L800-F1106 HydrophobicContact CB-CE2 4.16Å; L800-F1106 HydrophobicContact CB-CZ 4.4Å; F1102-F1106 PolarHBondContact O-N 3.27Å; R1103-F1106 PolarHBondContact O-N 3.13Å; L1104-F1106 PolarHBondContact O-N 3.45Å; F1106-D1109 PolarHBondContact O-N 3.15Å; F1106-Y1110 HydrophobicContact CZ-CD2 4.5Å; F1106-Y1110 WeakPolarHBondContact O-CB 3.49Å; F1106-Y1110 PolarHBondContact O-N 2.84Å |
| 1107 | H | 82.1 | Confident | 77.6 | Confident | 19 Ų | 19 | 36.2 Ų | 36.2 | 9% | 0.088 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 179 | -179.5 | 20.9 | 0 | 0 | 0 | 111.9 | P780 F788 R1103 L1104 S1105 D1109 Y1110 E1111 | P780-H1107 WeakPolarHBondContact CD-CD2 3.25Å; P780-H1107 WeakPolarHBondContact CD-NE2 3.39Å; P780-H1107 WeakPolarHBondContact CG-NE2 3.36Å; F788-H1107 HydrophobicContact CE1-CB 3.82Å; F788-H1107 HydrophobicContact CZ-CB 4.13Å; R1103-H1107 WeakPolarHBondContact O-CB 3.3Å; R1103-H1107 PolarHBondContact O-N 2.89Å; L1104-H1107 PolarHBondContact O-N 3.34Å; S1105-H1107 VanDerWaalsContact C-N 3.29Å; S1105-H1107 PolarHBondContact O-N 2.9Å; H1107-D1109 VanDerWaalsContact C-N 3.31Å; H1107-D1109 PolarHBondContact O-N 3.48Å; H1107-Y1110 WeakPolarHBondContact O-CB 3.45Å; H1107-Y1110 PolarHBondContact O-N 3.2Å; H1107-Y1110 VanDerWaalsContact O-N 3.16Å; H1107-E1111 VanDerWaalsContact CE1-CD 3.44Å; H1107-E1111 IonicContact CE1-OE1 2.87Å; H1107-E1111 PolarHBondContact CE1-OE1 3.32Å; H1107-E1111 VanDerWaalsContact CE1-OE1 3.23Å; H1107-E1111 IonicContact NE2-OE1 3.16Å; H1107-E1111 WeakPolarHBondContact O-CG 3.4Å; H1107-E1111 PolarHBondContact O-N 2.99Å |
| 1108 | R | 76.6 | Confident | 76.8 | Confident | 38 Ų | 38 | 37 Ų | 37 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -35.1 | 175.3 | -63.9 | -52.4 | -164.5 | -161.7 | 3.6 | 112.1 | T225 M229 E774 L1104 S1105 Y1110 E1111 A1112 | T225-R1108 HydrophobicContact CG2-CB 3.73Å; T225-R1108 HydrophobicContact CG2-CG 3.92Å; M229-R1108 HydrophobicContact CE-CG 4.49Å; M229-R1108 HydrophobicContact CG-CB 4.18Å; M229-R1108 HydrophobicContact CG-CG 4.34Å; M229-R1108 HydrophobicContact SD-CB 4.12Å; M229-R1108 HydrophobicContact SD-CG 3.62Å; E774-R1108 PolarHBondContact O-NH2 2.94Å; L1104-R1108 HydrophobicContact CD1-CG 4.26Å; L1104-R1108 WeakPolarHBondContact O-CG 3.24Å; L1104-R1108 PolarHBondContact O-N 3.47Å; L1104-R1108 VanDerWaalsContact O-N 3.07Å; S1105-R1108 PolarHBondContact O-N 3.49Å; R1108-Y1110 VanDerWaalsContact C-N 3.34Å; R1108-E1111 WeakPolarHBondContact CD-OE2 3.45Å; R1108-E1111 IonicContact CZ-OE2 2.92Å; R1108-E1111 IonicContact NE-OE2 3.19Å; R1108-E1111 IonicContact NH1-OE1 3.62Å; R1108-E1111 IonicContact NH1-OE2 3.52Å; R1108-E1111 PolarHBondContact NH1-OE2 3.37Å; R1108-A1112 WeakPolarHBondContact O-CB 3.48Å; R1108-A1112 PolarHBondContact O-N 3.18Å |
| 1109 | D | 74.2 | Confident | 76 | Confident | 34 Ų | 34 | 37 Ų | 37 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -32.7 | 172.8 | -69 | -30.8 | 0 | 0 | 0 | 112.7 | R228 S1105 F1106 H1107 A1112 Q1113 | R228-D1109 WeakPolarHBondContact CD-OD1 3.31Å; R228-D1109 IonicContact CZ-OD1 2.6Å; R228-D1109 IonicContact NE-OD1 3.62Å; R228-D1109 IonicContact NH1-OD1 2.79Å; R228-D1109 PolarHBondContact NH1-OD1 3.21Å; R228-D1109 IonicContact NH1-OD2 3.94Å; R228-D1109 PolarHBondContact NH1-OD2 3.5Å; S1105-D1109 WeakPolarHBondContact O-CB 3.31Å; S1105-D1109 PolarHBondContact O-N 3.5Å; F1106-D1109 PolarHBondContact O-N 3.15Å; H1107-D1109 VanDerWaalsContact C-N 3.31Å; H1107-D1109 PolarHBondContact O-N 3.48Å; D1109-A1112 WeakPolarHBondContact O-CB 3.45Å; D1109-Q1113 PolarHBondContact O-N 2.84Å |
| 1110 | Y | 77.9 | Confident | 75.2 | Confident | 34 Ų | 34 | 38.5 Ų | 38.5 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.9 | -43.1 | 176.2 | -175.5 | -98.2 | 0 | 0 | 0 | 112 | M792 V793 S796 F1106 H1107 R1108 A1112 Q1113 R1114 | M792-Y1110 PolarHBondContact SD-OH 2.89Å; V793-Y1110 HydrophobicContact CG2-CD1 4.11Å; V793-Y1110 HydrophobicContact CG2-CE1 3.82Å; S796-Y1110 WeakPolarHBondContact OG-CE2 3.41Å; F1106-Y1110 HydrophobicContact CZ-CD2 4.5Å; F1106-Y1110 WeakPolarHBondContact O-CB 3.49Å; F1106-Y1110 PolarHBondContact O-N 2.84Å; H1107-Y1110 WeakPolarHBondContact O-CB 3.45Å; H1107-Y1110 PolarHBondContact O-N 3.2Å; H1107-Y1110 VanDerWaalsContact O-N 3.16Å; R1108-Y1110 VanDerWaalsContact C-N 3.34Å; Y1110-A1112 VanDerWaalsContact C-N 3.28Å; Y1110-A1112 PolarHBondContact O-N 2.88Å; Y1110-Q1113 PolarHBondContact O-N 3.29Å; Y1110-R1114 HydrophobicContact CE1-CG 4.2Å; Y1110-R1114 PolarHBondContact O-N 3.47Å |
| 1111 | E | 75.3 | Confident | 74.4 | Confident | 70 Ų | 70 | 40.8 Ų | 40.8 | 33% | 0.327 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.6 | -38.6 | 171.9 | -69.5 | 178.2 | 140.5 | 0 | 0 | 111.7 | H1107 R1108 A1115 | H1107-E1111 VanDerWaalsContact CE1-CD 3.44Å; H1107-E1111 IonicContact CE1-OE1 2.87Å; H1107-E1111 PolarHBondContact CE1-OE1 3.32Å; H1107-E1111 VanDerWaalsContact CE1-OE1 3.23Å; H1107-E1111 IonicContact NE2-OE1 3.16Å; H1107-E1111 WeakPolarHBondContact O-CG 3.4Å; H1107-E1111 PolarHBondContact O-N 2.99Å; R1108-E1111 WeakPolarHBondContact CD-OE2 3.45Å; R1108-E1111 IonicContact CZ-OE2 2.92Å; R1108-E1111 IonicContact NE-OE2 3.19Å; R1108-E1111 IonicContact NH1-OE1 3.62Å; R1108-E1111 IonicContact NH1-OE2 3.52Å; R1108-E1111 PolarHBondContact NH1-OE2 3.37Å; E1111-A1115 VanDerWaalsContact O-CB 3.26Å; E1111-A1115 WeakPolarHBondContact O-CB 3.18Å; E1111-A1115 PolarHBondContact O-N 2.91Å; E1111-A1115 VanDerWaalsContact O-N 3.09Å |
| 1112 | A | 69.1 | Low | 73.7 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.7 | -53.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | N232 R1108 D1109 Y1110 A1115 K1116 | N232-A1112 WeakPolarHBondContact ND2-CA 3.35Å; N232-A1112 WeakPolarHBondContact ND2-CB 3.4Å; N232-A1112 WeakPolarHBondContact OD1-CA 3.43Å; N232-A1112 VanDerWaalsContact OD1-CB 3.23Å; N232-A1112 WeakPolarHBondContact OD1-CB 3.27Å; R1108-A1112 WeakPolarHBondContact O-CB 3.48Å; R1108-A1112 PolarHBondContact O-N 3.18Å; D1109-A1112 WeakPolarHBondContact O-CB 3.45Å; Y1110-A1112 VanDerWaalsContact C-N 3.28Å; Y1110-A1112 PolarHBondContact O-N 2.88Å; A1112-A1115 PolarHBondContact O-N 3.33Å; A1112-K1116 PolarHBondContact O-N 3.36Å |
| 1113 | Q | 72.2 | Confident | 73.2 | Confident | 66 Ų | 66 | 44.5 Ų | 44.5 | 31% | 0.308 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.3 | -45.9 | -173.8 | -176 | 62 | 24.4 | 0 | 0 | 111.6 | D1109 Y1110 A1115 K1116 E1117 | D1109-Q1113 PolarHBondContact O-N 2.84Å; Y1110-Q1113 PolarHBondContact O-N 3.29Å; Q1113-A1115 VanDerWaalsContact C-N 3.34Å; Q1113-A1115 PolarHBondContact O-N 3.29Å; Q1113-K1116 PolarHBondContact O-N 3.17Å; Q1113-E1117 VanDerWaalsContact NE2-CD 3.34Å; Q1113-E1117 PolarHBondContact NE2-OE1 3.32Å; Q1113-E1117 WeakPolarHBondContact O-CG 3.21Å; Q1113-E1117 PolarHBondContact O-N 3.48Å |
| 1114 | R | 72.5 | Confident | 72.4 | Confident | 131 Ų | 131 | 49 Ų | 49 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -37.2 | 177.7 | -66.3 | -154.9 | 80.6 | -175 | 8.5 | 112.6 | Y1110 E1117 A1118 | Y1110-R1114 HydrophobicContact CE1-CG 4.2Å; Y1110-R1114 PolarHBondContact O-N 3.47Å; R1114-E1117 PolarHBondContact O-N 3.45Å; R1114-A1118 PolarHBondContact O-N 3.39Å |
| 1115 | A | 67.4 | Low | 71.7 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 15% | 0.149 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1111 A1112 Q1113 A1118 I1119 | E1111-A1115 VanDerWaalsContact O-CB 3.26Å; E1111-A1115 WeakPolarHBondContact O-CB 3.18Å; E1111-A1115 PolarHBondContact O-N 2.91Å; E1111-A1115 VanDerWaalsContact O-N 3.09Å; A1112-A1115 PolarHBondContact O-N 3.33Å; Q1113-A1115 VanDerWaalsContact C-N 3.34Å; Q1113-A1115 PolarHBondContact O-N 3.29Å; A1115-A1118 PolarHBondContact O-N 2.89Å; A1115-I1119 WeakPolarHBondContact O-CB 3.31Å; A1115-I1119 VanDerWaalsContact O-CD1 3.3Å; A1115-I1119 WeakPolarHBondContact O-CD1 3.44Å; A1115-I1119 WeakPolarHBondContact O-CG1 3.33Å; A1115-I1119 PolarHBondContact O-N 3.24Å |
| 1116 | K | 69.2 | Low | 71.2 | Confident | 107 Ų | 107 | 49.5 Ų | 49.5 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 176.4 | -177.7 | 172.7 | 178.9 | 172.2 | 0 | 113.1 | A1112 Q1113 I1119 G1120 | A1112-K1116 PolarHBondContact O-N 3.36Å; Q1113-K1116 PolarHBondContact O-N 3.17Å; K1116-I1119 PolarHBondContact O-N 3.05Å; K1116-G1120 PolarHBondContact O-N 3.45Å |
| 1117 | E | 69.6 | Low | 70.7 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 36% | 0.355 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 178.1 | -73.7 | 166.3 | 163.2 | 0 | 0 | 111 | R806 Q1113 R1114 I1119 G1120 H1121 | R806-E1117 IonicContact NH1-OE1 2.76Å; R806-E1117 PolarHBondContact NH1-OE1 2.82Å; Q1113-E1117 VanDerWaalsContact NE2-CD 3.34Å; Q1113-E1117 PolarHBondContact NE2-OE1 3.32Å; Q1113-E1117 WeakPolarHBondContact O-CG 3.21Å; Q1113-E1117 PolarHBondContact O-N 3.48Å; R1114-E1117 PolarHBondContact O-N 3.45Å; E1117-I1119 PolarHBondContact O-N 3.16Å; E1117-G1120 PolarHBondContact O-N 2.85Å; E1117-H1121 PolarHBondContact O-N 3.25Å |
| 1118 | A | 68.7 | Low | 70.3 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 45% | 0.446 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | R1114 A1115 G1120 H1121 Q1122 | R1114-A1118 PolarHBondContact O-N 3.39Å; A1115-A1118 PolarHBondContact O-N 2.89Å; A1118-G1120 VanDerWaalsContact C-N 3.33Å; A1118-G1120 PolarHBondContact O-N 3.46Å; A1118-H1121 PolarHBondContact O-N 2.94Å; A1118-Q1122 PolarHBondContact O-N 3.24Å |
| 1119 | I | 66.9 | Low | 70 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 175.2 | -73.6 | 163 | 0 | 0 | 0 | 111.3 | M235 L239 A1115 K1116 E1117 H1121 Q1122 K1123 | M235-I1119 HydrophobicContact CB-CD1 4.23Å; M235-I1119 HydrophobicContact CE-CG2 3.85Å; M235-I1119 HydrophobicContact CG-CD1 3.69Å; M235-I1119 HydrophobicContact CG-CG2 4.32Å; L239-I1119 HydrophobicContact CB-CD1 4.42Å; L239-I1119 HydrophobicContact CB-CG1 4.07Å; L239-I1119 HydrophobicContact CD1-CB 4.33Å; L239-I1119 HydrophobicContact CD1-CG1 4.03Å; L239-I1119 HydrophobicContact CD1-CG2 4.17Å; L239-I1119 HydrophobicContact CD2-CG1 3.85Å; L239-I1119 HydrophobicContact CG-CG1 4.15Å; A1115-I1119 WeakPolarHBondContact O-CB 3.31Å; A1115-I1119 VanDerWaalsContact O-CD1 3.3Å; A1115-I1119 WeakPolarHBondContact O-CD1 3.44Å; A1115-I1119 WeakPolarHBondContact O-CG1 3.33Å; A1115-I1119 PolarHBondContact O-N 3.24Å; K1116-I1119 PolarHBondContact O-N 3.05Å; E1117-I1119 PolarHBondContact O-N 3.16Å; I1119-H1121 PolarHBondContact O-N 3.25Å; I1119-Q1122 PolarHBondContact O-N 3.4Å; I1119-K1123 WeakPolarHBondContact O-CB 3.26Å; I1119-K1123 PolarHBondContact O-N 3.19Å |
| 1120 | G | 66.3 | Low | 69.8 | Low | 42 Ų | 42 | 52.8 Ų | 52.8 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1116 E1117 A1118 K1123 L1124 | K1116-G1120 PolarHBondContact O-N 3.45Å; E1117-G1120 PolarHBondContact O-N 2.85Å; A1118-G1120 VanDerWaalsContact C-N 3.33Å; A1118-G1120 PolarHBondContact O-N 3.46Å; G1120-K1123 PolarHBondContact O-N 3.17Å; G1120-L1124 PolarHBondContact O-N 2.91Å; G1120-L1124 VanDerWaalsContact O-N 3.08Å |
| 1121 | H | 68.6 | Low | 69.6 | Low | 51 Ų | 51 | 55.6 Ų | 55.6 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -46.9 | 177.9 | -171.5 | -78.2 | 0 | 0 | 0 | 112.1 | S270 Y274 E1117 A1118 I1119 K1123 L1124 Q1125 | S270-H1121 PolarHBondContact OG-CE1 2.74Å; S270-H1121 PolarHBondContact OG-NE2 3.32Å; Y274-H1121 AromaticContact CD2-CD2 3.91Å; Y274-H1121 AromaticContact CE2-CD2 3.8Å; E1117-H1121 PolarHBondContact O-N 3.25Å; A1118-H1121 PolarHBondContact O-N 2.94Å; I1119-H1121 PolarHBondContact O-N 3.25Å; H1121-K1123 PolarHBondContact O-N 3.47Å; H1121-L1124 PolarHBondContact O-N 3.16Å; H1121-Q1125 PolarHBondContact O-N 2.76Å; H1121-Q1125 VanDerWaalsContact O-N 3.14Å |
| 1122 | Q | 64.9 | Low | 69.7 | Low | 57 Ų | 57 | 53.1 Ų | 53.1 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -29.6 | 175.5 | -71.5 | -175.4 | -56.6 | 0 | 0 | 112.9 | L239 R246 A1118 I1119 A1126 | L239-Q1122 HydrophobicContact CD1-CB 4.17Å; R246-Q1122 PolarHBondContact NH2-O 3.05Å; A1118-Q1122 PolarHBondContact O-N 3.24Å; I1119-Q1122 PolarHBondContact O-N 3.4Å; Q1122-A1126 PolarHBondContact O-N 2.9Å; Q1122-A1126 VanDerWaalsContact O-N 3.17Å |
| 1123 | K | 68.6 | Low | 69.9 | Low | 61 Ų | 61 | 53.5 Ų | 53.5 | 27% | 0.265 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.2 | -44.6 | 173.7 | -176.1 | 167.6 | -176.4 | 64 | 0 | 112.1 | E242 I1119 G1120 H1121 Q1125 A1126 D1127 | E242-K1123 IonicContact OE1-NZ 3.34Å; E242-K1123 PolarHBondContact OE1-NZ 3.26Å; E242-K1123 IonicContact OE2-NZ 2.99Å; I1119-K1123 WeakPolarHBondContact O-CB 3.26Å; I1119-K1123 PolarHBondContact O-N 3.19Å; G1120-K1123 PolarHBondContact O-N 3.17Å; H1121-K1123 PolarHBondContact O-N 3.47Å; K1123-Q1125 VanDerWaalsContact C-N 3.29Å; K1123-Q1125 PolarHBondContact O-N 2.84Å; K1123-A1126 WeakPolarHBondContact O-CA 3.42Å; K1123-A1126 VanDerWaalsContact O-CB 3.3Å; K1123-A1126 WeakPolarHBondContact O-CB 3.48Å; K1123-A1126 PolarHBondContact O-N 3.33Å; K1123-D1127 WeakPolarHBondContact CE-OD2 3.22Å; K1123-D1127 WeakPolarHBondContact CG-OD2 3.49Å; K1123-D1127 IonicContact NZ-OD1 2.7Å; K1123-D1127 IonicContact NZ-OD2 3.56Å; K1123-D1127 PolarHBondContact O-N 2.92Å |
| 1124 | L | 68.6 | Low | 70.3 | Confident | 97 Ų | 97 | 50.5 Ų | 50.5 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.5 | -175.9 | 64.6 | 0 | 0 | 0 | 111.7 | G1120 H1121 A1126 D1127 W1128 | G1120-L1124 PolarHBondContact O-N 2.91Å; G1120-L1124 VanDerWaalsContact O-N 3.08Å; H1121-L1124 PolarHBondContact O-N 3.16Å; L1124-A1126 VanDerWaalsContact C-N 3.32Å; L1124-A1126 PolarHBondContact O-N 3.35Å; L1124-D1127 PolarHBondContact O-N 2.71Å; L1124-W1128 WeakPolarHBondContact O-CB 3.41Å; L1124-W1128 PolarHBondContact O-N 3.04Å |
| 1125 | Q | 67.4 | Low | 70.9 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -36.3 | 173.4 | -177.8 | 173.1 | 22.3 | 0 | 0 | 112.9 | M263 V266 H1121 K1123 L1129 | M263-Q1125 PolarHBondContact O-NE2 3.46Å; M263-Q1125 HydrophobicContact SD-CG 4.28Å; V266-Q1125 HydrophobicContact CG1-CG 3.87Å; H1121-Q1125 PolarHBondContact O-N 2.76Å; H1121-Q1125 VanDerWaalsContact O-N 3.14Å; K1123-Q1125 VanDerWaalsContact C-N 3.29Å; K1123-Q1125 PolarHBondContact O-N 2.84Å; Q1125-L1129 PolarHBondContact O-N 3.44Å |
| 1126 | A | 66.8 | Low | 71.7 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.9 | -48.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R246 Q1122 K1123 L1124 W1128 L1129 L1130 | R246-A1126 HydrophobicContact CG-CB 4.17Å; R246-A1126 VanDerWaalsContact NE-CB 3.27Å; Q1122-A1126 PolarHBondContact O-N 2.9Å; Q1122-A1126 VanDerWaalsContact O-N 3.17Å; K1123-A1126 WeakPolarHBondContact O-CA 3.42Å; K1123-A1126 VanDerWaalsContact O-CB 3.3Å; K1123-A1126 WeakPolarHBondContact O-CB 3.48Å; K1123-A1126 PolarHBondContact O-N 3.33Å; L1124-A1126 VanDerWaalsContact C-N 3.32Å; L1124-A1126 PolarHBondContact O-N 3.35Å; A1126-W1128 VanDerWaalsContact C-N 3.34Å; A1126-W1128 PolarHBondContact O-N 2.84Å; A1126-L1129 PolarHBondContact O-N 2.87Å; A1126-L1130 WeakPolarHBondContact O-CB 3.37Å; A1126-L1130 PolarHBondContact O-N 3.39Å |
| 1127 | D | 71.3 | Confident | 72.5 | Confident | 46 Ų | 46 | 46 Ų | 46 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.3 | -38 | -178.9 | -67.8 | -36 | 0 | 0 | 0 | 110.3 | K1123 L1124 L1130 E1131 | K1123-D1127 WeakPolarHBondContact CE-OD2 3.22Å; K1123-D1127 WeakPolarHBondContact CG-OD2 3.49Å; K1123-D1127 IonicContact NZ-OD1 2.7Å; K1123-D1127 IonicContact NZ-OD2 3.56Å; K1123-D1127 PolarHBondContact O-N 2.92Å; L1124-D1127 PolarHBondContact O-N 2.71Å; D1127-L1130 PolarHBondContact O-N 3.41Å; D1127-E1131 WeakPolarHBondContact O-CB 3.35Å; D1127-E1131 WeakPolarHBondContact O-CG 3.49Å; D1127-E1131 PolarHBondContact O-N 2.96Å |
| 1128 | W | 73.7 | Confident | 73.3 | Confident | 108 Ų | 108 | 42.3 Ų | 42.3 | 41% | 0.409 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 173 | 178 | 90.3 | 0 | 0 | 0 | 113.6 | V266 F524 L1124 A1126 N1132 | V266-W1128 HydrophobicContact CG2-CE3 4.45Å; V266-W1128 HydrophobicContact CG2-CH2 4.18Å; V266-W1128 HydrophobicContact CG2-CZ3 3.9Å; F524-W1128 AromaticContact CE1-CH2 3.95Å; F524-W1128 HydrophobicContact CE1-CH2 3.95Å; F524-W1128 HydrophobicContact CZ-CH2 4Å; F524-W1128 HydrophobicContact CZ-CZ3 4.22Å; L1124-W1128 WeakPolarHBondContact O-CB 3.41Å; L1124-W1128 PolarHBondContact O-N 3.04Å; A1126-W1128 VanDerWaalsContact C-N 3.34Å; A1126-W1128 PolarHBondContact O-N 2.84Å; W1128-N1132 VanDerWaalsContact CE2-ND2 3.27Å; W1128-N1132 WeakPolarHBondContact CH2-ND2 3.3Å; W1128-N1132 WeakPolarHBondContact CZ2-ND2 3.39Å; W1128-N1132 PolarHBondContact O-N 3.24Å |
| 1129 | L | 70.2 | Confident | 73.9 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64 | -47.1 | 177.2 | -174.4 | 76 | 0 | 0 | 0 | 109.9 | I250 L253 M263 Q1125 A1126 E1131 N1132 I1133 | I250-L1129 HydrophobicContact CB-CD2 4.48Å; I250-L1129 HydrophobicContact CD1-CD2 4.26Å; I250-L1129 HydrophobicContact CG1-CD2 3.34Å; L253-L1129 HydrophobicContact CD1-CD1 4.07Å; L253-L1129 HydrophobicContact CD1-CD2 4.34Å; L253-L1129 HydrophobicContact CD1-CG 4.24Å; M263-L1129 HydrophobicContact CE-CB 4.48Å; M263-L1129 HydrophobicContact CE-CD1 3.88Å; M263-L1129 HydrophobicContact CE-CD2 3.87Å; M263-L1129 HydrophobicContact CE-CG 4.3Å; Q1125-L1129 PolarHBondContact O-N 3.44Å; A1126-L1129 PolarHBondContact O-N 2.87Å; L1129-E1131 VanDerWaalsContact C-N 3.34Å; L1129-E1131 PolarHBondContact O-N 3.39Å; L1129-N1132 WeakPolarHBondContact O-CA 3.43Å; L1129-N1132 WeakPolarHBondContact O-CB 3.45Å; L1129-N1132 PolarHBondContact O-N 3.08Å; L1129-I1133 WeakPolarHBondContact O-CG1 3.45Å; L1129-I1133 PolarHBondContact O-N 3.32Å; L1129-I1133 VanDerWaalsContact O-N 3.1Å |
| 1130 | L | 70.2 | Confident | 74.3 | Confident | 25 Ų | 25 | 44.2 Ų | 44.2 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -45.1 | 179.7 | -176.7 | 60.9 | 0 | 0 | 0 | 112.4 | M249 A1126 D1127 N1132 I1133 I1134 M1139 | M249-L1130 HydrophobicContact CE-CD1 3.43Å; M249-L1130 VanDerWaalsContact CE-CD1 3.43Å; M249-L1130 HydrophobicContact SD-CD1 3.97Å; A1126-L1130 WeakPolarHBondContact O-CB 3.37Å; A1126-L1130 PolarHBondContact O-N 3.39Å; D1127-L1130 PolarHBondContact O-N 3.41Å; L1130-N1132 VanDerWaalsContact C-N 3.25Å; L1130-N1132 PolarHBondContact O-N 3Å; L1130-I1133 PolarHBondContact O-N 3.41Å; L1130-I1134 PolarHBondContact O-N 2.94Å; L1130-M1139 HydrophobicContact CD1-CE 3.87Å; L1130-M1139 HydrophobicContact CD1-SD 3.87Å; L1130-M1139 HydrophobicContact CD2-CE 3.75Å; L1130-M1139 HydrophobicContact CD2-SD 4.28Å; L1130-M1139 HydrophobicContact CG-CE 4Å; L1130-M1139 HydrophobicContact CG-SD 3.91Å |
| 1131 | E | 75.3 | Confident | 75.1 | Confident | 92 Ų | 92 | 45 Ų | 45 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.2 | -26.2 | 175 | -77.8 | 178.5 | -167.9 | 0 | 0 | 113.5 | R523 D1127 L1129 Y1136 | R523-E1131 PolarHBondContact NH1-O 3.39Å; D1127-E1131 WeakPolarHBondContact O-CB 3.35Å; D1127-E1131 WeakPolarHBondContact O-CG 3.49Å; D1127-E1131 PolarHBondContact O-N 2.96Å; L1129-E1131 VanDerWaalsContact C-N 3.34Å; L1129-E1131 PolarHBondContact O-N 3.39Å; E1131-Y1136 HydrophobicContact CG-CD2 3.88Å; E1131-Y1136 WeakPolarHBondContact OE1-CD2 3.25Å; E1131-Y1136 WeakPolarHBondContact OE1-CE2 3.42Å |
| 1132 | N | 75.8 | Confident | 75.5 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.102 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -77.7 | -32.5 | 173.5 | -95.8 | -38.6 | 0 | 0 | 0 | 113.3 | T521 R522 R523 F524 W1128 L1129 L1130 | T521-N1132 PolarHBondContact O-OD1 2.98Å; R522-N1132 WeakPolarHBondContact CA-OD1 3.21Å; R523-N1132 VanDerWaalsContact CA-O 3.29Å; R523-N1132 WeakPolarHBondContact CA-O 3.35Å; R523-N1132 PolarHBondContact N-O 2.9Å; R523-N1132 PolarHBondContact NH1-O 3.1Å; F524-N1132 HydrophobicContact CE1-CB 4.21Å; W1128-N1132 VanDerWaalsContact CE2-ND2 3.27Å; W1128-N1132 WeakPolarHBondContact CH2-ND2 3.3Å; W1128-N1132 WeakPolarHBondContact CZ2-ND2 3.39Å; W1128-N1132 PolarHBondContact O-N 3.24Å; L1129-N1132 WeakPolarHBondContact O-CA 3.43Å; L1129-N1132 WeakPolarHBondContact O-CB 3.45Å; L1129-N1132 PolarHBondContact O-N 3.08Å; L1130-N1132 VanDerWaalsContact C-N 3.25Å; L1130-N1132 PolarHBondContact O-N 3Å |
| 1133 | I | 74.1 | Confident | 75.9 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.5 | -62.6 | 174.2 | -46.4 | 165.2 | 0 | 0 | 0 | 110.1 | M249 L253 R523 L1129 L1130 | M249-I1133 HydrophobicContact CE-CD1 3.81Å; L253-I1133 HydrophobicContact CD1-CD1 3.69Å; L253-I1133 HydrophobicContact CD1-CG1 3.51Å; L253-I1133 HydrophobicContact CD2-CB 4.16Å; L253-I1133 HydrophobicContact CD2-CD1 3.8Å; L253-I1133 HydrophobicContact CD2-CG1 3.53Å; L253-I1133 HydrophobicContact CD2-CG2 3.61Å; L253-I1133 HydrophobicContact CG-CD1 3.98Å; L253-I1133 HydrophobicContact CG-CG1 3.99Å; R523-I1133 VanDerWaalsContact NH1-C 3.25Å; R523-I1133 PolarHBondContact NH1-O 3.46Å; L1129-I1133 WeakPolarHBondContact O-CG1 3.45Å; L1129-I1133 PolarHBondContact O-N 3.32Å; L1129-I1133 VanDerWaalsContact O-N 3.1Å; L1130-I1133 PolarHBondContact O-N 3.41Å |
| 1134 | I | 80 | Confident | 76.2 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -112.8 | 139.4 | -163.1 | -60.3 | -174.3 | 0 | 0 | 0 | 109.4 | R523 L1130 Y1136 I1138 M1139 L1142 | R523-I1134 PolarHBondContact NH1-O 3.48Å; L1130-I1134 PolarHBondContact O-N 2.94Å; I1134-Y1136 PolarHBondContact O-N 2.99Å; I1134-I1138 HydrophobicContact CG2-CD1 3.73Å; I1134-I1138 HydrophobicContact CG2-CG1 3.51Å; I1134-M1139 HydrophobicContact CB-SD 3.87Å; I1134-M1139 HydrophobicContact CD1-SD 4.4Å; I1134-M1139 HydrophobicContact CG2-SD 3.71Å; I1134-L1142 HydrophobicContact CD1-CD1 3.81Å; I1134-L1142 HydrophobicContact CG2-CD1 3.67Å |
| 1135 | P | 86.5 | Confident | 76.5 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | trans | -59.8 | 126.6 | 172.6 | -21.6 | 32.3 | 0 | 0 | 0 | 112.4 | Y1137 I1138 Y1282 | P1135-Y1137 HydrophobicContact CB-CD1 3.74Å; P1135-Y1137 HydrophobicContact CB-CE1 3.32Å; P1135-Y1137 HydrophobicContact CG-CE1 4.27Å; P1135-Y1137 PolarHBondContact O-N 3.33Å; P1135-I1138 WeakPolarHBondContact O-CG1 3.27Å; P1135-I1138 PolarHBondContact O-N 3.12Å; P1135-Y1282 HydrophobicContact CG-CD1 3.61Å; P1135-Y1282 HydrophobicContact CG-CD2 4.23Å; P1135-Y1282 HydrophobicContact CG-CE1 3.78Å; P1135-Y1282 HydrophobicContact CG-CE2 4.36Å; P1135-Y1282 HydrophobicContact CG-CG 3.85Å | ||
| 1136 | Y | 82.4 | Confident | 76.8 | Confident | 126 Ų | 126 | 58.1 Ų | 58.1 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -52.7 | -35.5 | -175.5 | -174.4 | -88.2 | 0 | 0 | 0 | 113.1 | E1131 I1134 I1138 M1139 | E1131-Y1136 HydrophobicContact CG-CD2 3.88Å; E1131-Y1136 WeakPolarHBondContact OE1-CD2 3.25Å; E1131-Y1136 WeakPolarHBondContact OE1-CE2 3.42Å; I1134-Y1136 PolarHBondContact O-N 2.99Å; Y1136-I1138 PolarHBondContact O-N 3.4Å; Y1136-I1138 VanDerWaalsContact O-N 3.14Å; Y1136-M1139 WeakPolarHBondContact O-CB 3.17Å; Y1136-M1139 PolarHBondContact O-N 3.13Å; Y1136-M1139 VanDerWaalsContact O-N 3.11Å |
| 1137 | Y | 86 | Confident | 77.4 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -69.1 | -7.2 | -178.1 | 69.5 | -94.5 | 0 | 0 | 0 | 114.9 | P1135 E1203 L1218 N1219 Y1282 | P1135-Y1137 HydrophobicContact CB-CD1 3.74Å; P1135-Y1137 HydrophobicContact CB-CE1 3.32Å; P1135-Y1137 HydrophobicContact CG-CE1 4.27Å; P1135-Y1137 PolarHBondContact O-N 3.33Å; Y1137-E1203 HydrophobicContact CE1-CG 4.02Å; Y1137-E1203 WeakPolarHBondContact CE1-OE1 3.44Å; Y1137-L1218 WeakPolarHBondContact CE2-O 3.33Å; Y1137-L1218 VanDerWaalsContact OH-CB 3.25Å; Y1137-L1218 WeakPolarHBondContact OH-CB 3.33Å; Y1137-N1219 HydrophobicContact CD1-CB 3.72Å; Y1137-N1219 HydrophobicContact CD2-CB 4.21Å; Y1137-N1219 HydrophobicContact CE1-CB 3.82Å; Y1137-N1219 HydrophobicContact CE2-CB 4.29Å; Y1137-N1219 HydrophobicContact CG-CB 3.95Å; Y1137-Y1282 PolarHBondContact OH-OH 2.92Å; Y1137-Y1282 VanDerWaalsContact OH-OH 3.05Å |
| 1138 | I | 87.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -109.5 | -1.5 | 172.4 | 74.6 | 160.4 | 0 | 0 | 0 | 113.3 | I1134 P1135 Y1136 D1140 D1141 L1142 Y1148 V1274 Y1282 | I1134-I1138 HydrophobicContact CG2-CD1 3.73Å; I1134-I1138 HydrophobicContact CG2-CG1 3.51Å; P1135-I1138 WeakPolarHBondContact O-CG1 3.27Å; P1135-I1138 PolarHBondContact O-N 3.12Å; Y1136-I1138 PolarHBondContact O-N 3.4Å; Y1136-I1138 VanDerWaalsContact O-N 3.14Å; I1138-D1140 VanDerWaalsContact C-N 3.34Å; I1138-D1140 PolarHBondContact O-N 3.26Å; I1138-D1141 PolarHBondContact O-N 3.01Å; I1138-L1142 HydrophobicContact CD1-CD1 3.96Å; I1138-L1142 HydrophobicContact CG1-CD1 4.02Å; I1138-L1142 PolarHBondContact O-N 2.95Å; I1138-L1142 VanDerWaalsContact O-N 3.1Å; I1138-Y1148 HydrophobicContact CB-CD1 4.46Å; I1138-Y1148 HydrophobicContact CB-CD2 3.83Å; I1138-Y1148 HydrophobicContact CB-CE1 4.42Å; I1138-Y1148 HydrophobicContact CB-CE2 3.77Å; I1138-Y1148 HydrophobicContact CB-CG 4.18Å; I1138-Y1148 HydrophobicContact CD1-CD1 3.7Å; I1138-Y1148 HydrophobicContact CD1-CD2 4.37Å; I1138-Y1148 HydrophobicContact CD1-CE1 4.13Å; I1138-Y1148 HydrophobicContact CD1-CG 3.84Å; I1138-Y1148 HydrophobicContact CG2-CD1 4.36Å; I1138-Y1148 HydrophobicContact CG2-CD2 4.07Å; I1138-Y1148 HydrophobicContact CG2-CE1 3.84Å; I1138-Y1148 HydrophobicContact CG2-CE2 3.49Å; I1138-Y1148 VanDerWaalsContact CG2-CE2 3.49Å; I1138-Y1148 HydrophobicContact CG2-CG 4.46Å; I1138-V1274 HydrophobicContact CD1-CG2 3.5Å; I1138-V1274 VanDerWaalsContact CD1-CG2 3.5Å; I1138-Y1282 HydrophobicContact CD1-CD2 3.54Å; I1138-Y1282 HydrophobicContact CD1-CE2 3.92Å |
| 1139 | M | 79.9 | Confident | 79 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.069 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -34.6 | -176.3 | -77.1 | -57.5 | -37.7 | 0 | 0 | 113.5 | L1130 I1134 Y1136 L1142 R1143 | L1130-M1139 HydrophobicContact CD1-CE 3.87Å; L1130-M1139 HydrophobicContact CD1-SD 3.87Å; L1130-M1139 HydrophobicContact CD2-CE 3.75Å; L1130-M1139 HydrophobicContact CD2-SD 4.28Å; L1130-M1139 HydrophobicContact CG-CE 4Å; L1130-M1139 HydrophobicContact CG-SD 3.91Å; I1134-M1139 HydrophobicContact CB-SD 3.87Å; I1134-M1139 HydrophobicContact CD1-SD 4.4Å; I1134-M1139 HydrophobicContact CG2-SD 3.71Å; Y1136-M1139 WeakPolarHBondContact O-CB 3.17Å; Y1136-M1139 PolarHBondContact O-N 3.13Å; Y1136-M1139 VanDerWaalsContact O-N 3.11Å; M1139-L1142 HydrophobicContact SD-CD1 4.38Å; M1139-R1143 HydrophobicContact CE-CG 4.46Å; M1139-R1143 WeakPolarHBondContact O-CB 3.32Å; M1139-R1143 WeakPolarHBondContact O-CD 3.4Å; M1139-R1143 WeakPolarHBondContact O-CG 3.12Å; M1139-R1143 PolarHBondContact O-N 3.45Å |
| 1140 | D | 76.2 | Confident | 79.9 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.8 | -32 | 179 | -70.7 | -24.2 | 0 | 0 | 0 | 112.2 | I1138 R1143 Q1144 | I1138-D1140 VanDerWaalsContact C-N 3.34Å; I1138-D1140 PolarHBondContact O-N 3.26Å; D1140-R1143 IonicContact OD1-NH1 2.61Å; D1140-Q1144 WeakPolarHBondContact O-CG 3.28Å; D1140-Q1144 PolarHBondContact O-N 3.26Å; D1140-Q1144 PolarHBondContact O-NE2 3.47Å |
| 1141 | D | 82.8 | Confident | 81 | Confident | 58 Ų | 58 | 66.8 Ų | 66.8 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.7 | -46.2 | 174.3 | -69.7 | -19.4 | 0 | 0 | 0 | 110.5 | I1138 Q1144 H1145 Y1148 | I1138-D1141 PolarHBondContact O-N 3.01Å; D1141-Q1144 PolarHBondContact O-N 3.21Å; D1141-H1145 PolarHBondContact O-N 3.46Å; D1141-H1145 PolarHBondContact O-ND1 3Å; D1141-Y1148 HydrophobicContact CB-CD2 3.94Å; D1141-Y1148 HydrophobicContact CB-CE2 4.45Å |
| 1142 | L | 77.9 | Confident | 81.9 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -45 | 174.5 | -76.4 | 166.1 | 0 | 0 | 0 | 112.3 | I1134 I1138 M1139 Q1144 H1145 N1146 V1274 | I1134-L1142 HydrophobicContact CD1-CD1 3.81Å; I1134-L1142 HydrophobicContact CG2-CD1 3.67Å; I1138-L1142 HydrophobicContact CD1-CD1 3.96Å; I1138-L1142 HydrophobicContact CG1-CD1 4.02Å; I1138-L1142 PolarHBondContact O-N 2.95Å; I1138-L1142 VanDerWaalsContact O-N 3.1Å; M1139-L1142 HydrophobicContact SD-CD1 4.38Å; L1142-Q1144 PolarHBondContact O-N 3.33Å; L1142-H1145 PolarHBondContact O-N 3.09Å; L1142-N1146 VanDerWaalsContact O-CA 3.28Å; L1142-N1146 WeakPolarHBondContact O-CA 3.33Å; L1142-N1146 PolarHBondContact O-N 3.31Å; L1142-V1274 HydrophobicContact CD1-CG2 4.36Å; L1142-V1274 HydrophobicContact CD2-CB 4.45Å; L1142-V1274 HydrophobicContact CD2-CG2 4.33Å |
| 1143 | R | 72.6 | Confident | 82.7 | Confident | 142 Ų | 142 | 69 Ų | 69 | 54% | 0.536 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.7 | -21.6 | 178 | -78.9 | 168.2 | 174.5 | 165.9 | -0.5 | 113.9 | M1139 D1140 | M1139-R1143 HydrophobicContact CE-CG 4.46Å; M1139-R1143 WeakPolarHBondContact O-CB 3.32Å; M1139-R1143 WeakPolarHBondContact O-CD 3.4Å; M1139-R1143 WeakPolarHBondContact O-CG 3.12Å; M1139-R1143 PolarHBondContact O-N 3.45Å; D1140-R1143 IonicContact OD1-NH1 2.61Å |
| 1144 | Q | 74.7 | Confident | 83.6 | Confident | 136 Ų | 136 | 69.6 Ų | 69.6 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -94.6 | -40.9 | 178.9 | -73.8 | 170.1 | 75.8 | 0 | 0 | 112.9 | D1140 D1141 L1142 | D1140-Q1144 WeakPolarHBondContact O-CG 3.28Å; D1140-Q1144 PolarHBondContact O-N 3.26Å; D1140-Q1144 PolarHBondContact O-NE2 3.47Å; D1141-Q1144 PolarHBondContact O-N 3.21Å; L1142-Q1144 PolarHBondContact O-N 3.33Å |
| 1145 | H | 75.2 | Confident | 84.4 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -118.2 | -6.5 | -167.7 | -54.4 | 96.2 | 0 | 0 | 0 | 114.7 | D1141 L1142 K1147 | D1141-H1145 PolarHBondContact O-N 3.46Å; D1141-H1145 PolarHBondContact O-ND1 3Å; L1142-H1145 PolarHBondContact O-N 3.09Å; H1145-K1147 PolarHBondContact O-N 2.65Å |
| 1146 | N | 72.6 | Confident | 85 | Confident | 141 Ų | 141 | 69.4 Ų | 69.4 | 75% | 0.754 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 53.2 | 16.9 | -174.3 | -156 | 47.6 | 0 | 0 | 0 | 115.2 | L1142 | L1142-N1146 VanDerWaalsContact O-CA 3.28Å; L1142-N1146 WeakPolarHBondContact O-CA 3.33Å; L1142-N1146 PolarHBondContact O-N 3.31Å |
| 1147 | K | 80.3 | Confident | 85.7 | Confident | 155 Ų | 155 | 63.4 Ų | 63.4 | 67% | 0.674 | 30% | 0.298 | S | S | * | . | trans | -146.9 | 148.1 | 179.2 | -64.8 | -174.3 | 179.5 | -177.5 | 0 | 108.5 | H1145 | H1145-K1147 PolarHBondContact O-N 2.65Š| ||
| 1148 | Y | 88 | Confident | 86.3 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | trans | -140.5 | 126.5 | 171.8 | 179.9 | -91.7 | 0 | 0 | 0 | 110.6 | I1138 D1141 R1150 A1272 G1273 V1274 Y1282 | I1138-Y1148 HydrophobicContact CB-CD1 4.46Å; I1138-Y1148 HydrophobicContact CB-CD2 3.83Å; I1138-Y1148 HydrophobicContact CB-CE1 4.42Å; I1138-Y1148 HydrophobicContact CB-CE2 3.77Å; I1138-Y1148 HydrophobicContact CB-CG 4.18Å; I1138-Y1148 HydrophobicContact CD1-CD1 3.7Å; I1138-Y1148 HydrophobicContact CD1-CD2 4.37Å; I1138-Y1148 HydrophobicContact CD1-CE1 4.13Å; I1138-Y1148 HydrophobicContact CD1-CG 3.84Å; I1138-Y1148 HydrophobicContact CG2-CD1 4.36Å; I1138-Y1148 HydrophobicContact CG2-CD2 4.07Å; I1138-Y1148 HydrophobicContact CG2-CE1 3.84Å; I1138-Y1148 HydrophobicContact CG2-CE2 3.49Å; I1138-Y1148 VanDerWaalsContact CG2-CE2 3.49Å; I1138-Y1148 HydrophobicContact CG2-CG 4.46Å; D1141-Y1148 HydrophobicContact CB-CD2 3.94Å; D1141-Y1148 HydrophobicContact CB-CE2 4.45Å; Y1148-R1150 HydrophobicContact CE1-CB 4.14Å; Y1148-R1150 WeakPolarHBondContact OH-CD 3.35Å; Y1148-A1272 HydrophobicContact CE1-CB 4.43Å; Y1148-G1273 VanDerWaalsContact O-CA 3.31Å; Y1148-G1273 WeakPolarHBondContact O-CA 3.32Å; Y1148-V1274 HydrophobicContact CD1-CG2 4.38Å; Y1148-V1274 PolarHBondContact O-N 3.07Å; Y1148-Y1282 HydrophobicContact CD1-CE2 4.44Å; Y1148-Y1282 HydrophobicContact CE1-CE2 4.07Å | ||
| 1149 | S | 90.1 | Very high | 86.7 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 33% | 0.329 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 129.4 | 176.6 | 60.5 | 0 | 0 | 0 | 0 | 109.1 | S432 A1272 | S432-S1149 WeakPolarHBondContact CA-OG 3.43Å; S1149-A1272 CarbonylContact C-O 3.57Å; S1149-A1272 WeakPolarHBondContact CA-O 3.45Å |
| 1150 | R | 90.4 | Very high | 87.5 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 33% | 0.328 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 123.8 | -175.7 | -169.4 | 174.6 | -160.2 | 136.9 | 12 | 111.3 | Y1148 I1152 A1272 | Y1148-R1150 HydrophobicContact CE1-CB 4.14Å; Y1148-R1150 WeakPolarHBondContact OH-CD 3.35Å; R1150-I1152 HydrophobicContact CG-CD1 4.46Å; R1150-I1152 HydrophobicContact CG-CG1 4.03Å; R1150-A1272 PolarHBondContact N-O 2.91Å; R1150-A1272 PolarHBondContact O-N 2.86Å |
| 1151 | H | 92.4 | Very high | 88.5 | Confident | 82 Ų | 82 | 57.5 Ų | 57.5 | 38% | 0.38 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 140.8 | 165 | -175.8 | -92.2 | 0 | 0 | 0 | 109.9 | A431 E1269 | A431-H1151 HydrophobicContact CB-CB 3.82Å; H1151-E1269 IonicContact CD2-OE2 2.89Å; H1151-E1269 IonicContact CE1-OE2 3.91Å; H1151-E1269 IonicContact NE2-OE2 3.75Å; H1151-E1269 PolarHBondContact NE2-OE2 3.29Å |
| 1152 | I | 93.8 | Very high | 89 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 103.2 | -177 | -54.4 | -178.8 | 0 | 0 | 0 | 107.5 | R1150 D1154 A1155 L1218 M1220 E1269 V1270 A1272 | R1150-I1152 HydrophobicContact CG-CD1 4.46Å; R1150-I1152 HydrophobicContact CG-CG1 4.03Å; I1152-D1154 VanDerWaalsContact C-N 3.31Å; I1152-D1154 PolarHBondContact O-N 3.46Å; I1152-A1155 HydrophobicContact CG2-CB 4.34Å; I1152-L1218 HydrophobicContact CD1-CB 4.44Å; I1152-L1218 HydrophobicContact CD1-CD2 3.76Å; I1152-M1220 HydrophobicContact CG2-CE 4.34Å; I1152-E1269 CarbonylContact O-C 3.4Å; I1152-E1269 VanDerWaalsContact O-CA 3.26Å; I1152-E1269 WeakPolarHBondContact O-CA 3.2Å; I1152-V1270 HydrophobicContact CB-CG2 4.02Å; I1152-V1270 PolarHBondContact N-O 3.37Å; I1152-V1270 PolarHBondContact O-N 2.92Å; I1152-A1272 HydrophobicContact CD1-CB 4.05Å |
| 1153 | E | 92.3 | Very high | 89.6 | Confident | 157 Ų | 157 | 55.4 Ų | 55.4 | 73% | 0.734 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | -29.7 | -171.8 | -64.3 | 159.6 | -174.5 | 0 | 0 | 115 | G1268 E1269 | E1153-G1268 CarbonylContact O-C 3.57Å; E1153-E1269 VanDerWaalsContact O-CA 3.31Å; E1153-E1269 WeakPolarHBondContact O-CA 3.42Å; E1153-E1269 PolarHBondContact O-N 3.21Å |
| 1154 | D | 94.6 | Very high | 90.4 | Very high | 32 Ų | 32 | 49 Ų | 49 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 100.2 | -175.3 | 173.5 | 29.2 | 0 | 0 | 0 | 110 | I1152 R1223 I1267 | I1152-D1154 VanDerWaalsContact C-N 3.31Å; I1152-D1154 PolarHBondContact O-N 3.46Å; D1154-R1223 PolarHBondContact O-NH1 2.88Å; D1154-R1223 PolarHBondContact O-NH2 3.35Å; D1154-R1223 IonicContact OD2-CZ 2.67Å; D1154-R1223 IonicContact OD2-NH2 2.73Å; D1154-R1223 PolarHBondContact OD2-NH2 3.49Å; D1154-I1267 VanDerWaalsContact OD1-CG2 3.3Å; D1154-I1267 WeakPolarHBondContact OD1-CG2 3.35Å |
| 1155 | A | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 147 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I1152 S1216 L1218 I1267 G1268 V1270 | I1152-A1155 HydrophobicContact CG2-CB 4.34Å; A1155-S1216 WeakPolarHBondContact CA-O 3.48Å; A1155-S1216 WeakPolarHBondContact CB-O 3.47Å; A1155-L1218 HydrophobicContact CB-CD2 4.25Å; A1155-I1267 WeakPolarHBondContact O-CA 3.4Å; A1155-G1268 PolarHBondContact N-O 3.03Å; A1155-G1268 PolarHBondContact O-N 3.12Å; A1155-G1268 VanDerWaalsContact O-N 3.13Å; A1155-V1270 HydrophobicContact CB-CG1 4.3Å; A1155-V1270 HydrophobicContact CB-CG2 3.6Å |
| 1156 | G | 97.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 140.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | A1215 S1216 L1236 | G1156-A1215 CarbonylContact O-C 3.56Å; G1156-A1215 WeakPolarHBondContact O-CA 3.38Å; G1156-A1215 VanDerWaalsContact O-CB 3.26Å; G1156-A1215 WeakPolarHBondContact O-CB 3.38Å; G1156-S1216 PolarHBondContact N-O 3.16Å; G1156-S1216 PolarHBondContact O-N 3.4Å; G1156-L1236 VanDerWaalsContact O-CD2 3.29Å; G1156-L1236 WeakPolarHBondContact O-CD2 3.5Å |
| 1157 | V | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.9 | 174.9 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | F1159 M1213 A1215 Y1265 N1266 V1270 I1284 T1288 V1289 A1292 | V1157-F1159 HydrophobicContact CG1-CD2 4.41Å; V1157-F1159 HydrophobicContact CG1-CE2 4.02Å; V1157-M1213 HydrophobicContact CG1-CE 4.49Å; V1157-A1215 HydrophobicContact CG2-CB 4.28Å; V1157-Y1265 WeakPolarHBondContact O-CA 3.32Å; V1157-N1266 PolarHBondContact N-O 3.09Å; V1157-N1266 PolarHBondContact O-N 3.37Å; V1157-V1270 HydrophobicContact CG2-CG1 4.03Å; V1157-I1284 HydrophobicContact CG2-CD1 4.04Å; V1157-T1288 HydrophobicContact CB-CG2 4.48Å; V1157-T1288 HydrophobicContact CG2-CG2 3.97Å; V1157-V1289 HydrophobicContact CG1-CG2 4.43Å; V1157-V1289 HydrophobicContact CG2-CG2 4.22Å; V1157-A1292 HydrophobicContact CB-CB 4.14Å; V1157-A1292 HydrophobicContact CG1-CB 4.02Å |
| 1158 | V | 97.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.8 | 177.2 | 73.5 | 0 | 0 | 0 | 0 | 112 | A1214 L1236 A1240 V1263 G1264 Y1265 | V1158-A1214 HydrophobicContact CG1-CB 3.97Å; V1158-A1214 PolarHBondContact N-O 3.37Å; V1158-A1214 PolarHBondContact O-N 2.93Å; V1158-A1214 VanDerWaalsContact O-N 3.1Å; V1158-L1236 HydrophobicContact CB-CD2 4.36Å; V1158-L1236 HydrophobicContact CB-CG 4.35Å; V1158-L1236 HydrophobicContact CG1-CD1 3.78Å; V1158-L1236 HydrophobicContact CG1-CD2 4.41Å; V1158-L1236 HydrophobicContact CG1-CG 4.09Å; V1158-A1240 HydrophobicContact CG2-CB 4.12Å; V1158-V1263 HydrophobicContact CG2-CG1 3.42Å; V1158-V1263 VanDerWaalsContact CG2-CG1 3.42Å; V1158-G1264 WeakPolarHBondContact CA-O 3.41Å; V1158-G1264 WeakPolarHBondContact CG2-O 3.27Å; V1158-Y1265 HydrophobicContact CB-CD2 4.1Å; V1158-Y1265 HydrophobicContact CG2-CD2 4.22Å |
| 1159 | F | 97.4 | Very high | 92.1 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 120.7 | 165.3 | -74.6 | -96.9 | 0 | 0 | 0 | 108.1 | V1157 I1208 M1213 V1263 G1264 V1289 A1292 Y1296 | V1157-F1159 HydrophobicContact CG1-CD2 4.41Å; V1157-F1159 HydrophobicContact CG1-CE2 4.02Å; F1159-I1208 HydrophobicContact CE1-CD1 4.46Å; F1159-M1213 HydrophobicContact CD1-CB 4.35Å; F1159-M1213 HydrophobicContact CD1-CG 4.36Å; F1159-M1213 HydrophobicContact CE1-CB 4.16Å; F1159-M1213 HydrophobicContact CE1-CG 3.9Å; F1159-M1213 HydrophobicContact CE1-SD 3.86Å; F1159-M1213 HydrophobicContact CE2-CE 4.48Å; F1159-M1213 HydrophobicContact CE2-CG 4.38Å; F1159-M1213 HydrophobicContact CZ-CE 4Å; F1159-M1213 HydrophobicContact CZ-CG 3.91Å; F1159-M1213 HydrophobicContact CZ-SD 3.68Å; F1159-V1263 CarbonylContact O-C 3.48Å; F1159-V1263 VanDerWaalsContact O-CA 3.3Å; F1159-V1263 WeakPolarHBondContact O-CA 3.2Å; F1159-G1264 PolarHBondContact N-O 3.17Å; F1159-G1264 PolarHBondContact O-N 3.47Å; F1159-V1289 HydrophobicContact CE2-CG1 3.96Å; F1159-V1289 WeakPolarHBondContact CE2-O 3.44Å; F1159-V1289 HydrophobicContact CZ-CG1 3.91Å; F1159-A1292 HydrophobicContact CD2-CB 3.86Å; F1159-A1292 HydrophobicContact CE2-CB 4.11Å; F1159-Y1296 HydrophobicContact CB-CG 4.3Å |
| 1160 | A | 96.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | F1212 L1243 L1261 V1263 | A1160-F1212 PolarHBondContact N-O 3.44Å; A1160-F1212 WeakPolarHBondContact O-CB 3.28Å; A1160-F1212 PolarHBondContact O-N 3.38Å; A1160-L1243 HydrophobicContact CB-CD1 3.79Å; A1160-L1261 HydrophobicContact CB-CD1 4.32Å; A1160-L1261 HydrophobicContact CB-CD2 4.19Å; A1160-L1261 HydrophobicContact CB-CG 4.39Å; A1160-V1263 HydrophobicContact CB-CG1 4.31Å; A1160-V1263 HydrophobicContact CB-CG2 4.03Å |
| 1161 | C | 96.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.6 | -172.7 | -35.6 | 0 | 0 | 0 | 0 | 112.8 | A1163 S1210 C1211 K1262 Y1296 | C1161-A1163 PolarHBondContact O-N 3.05Å; C1161-S1210 VanDerWaalsContact CA-O 3.3Å; C1161-S1210 WeakPolarHBondContact CA-O 3.43Å; C1161-C1211 HydrophobicContact CB-CB 3.84Å; C1161-C1211 WeakPolarHBondContact CB-SG 3.31Å; C1161-C1211 WeakPolarHBondContact SG-CA 3.32Å; C1161-C1211 WeakPolarHBondContact SG-CB 3.42Å; C1161-C1211 CovalentContact SG-SG 2.03Å; C1161-C1211 PolarHBondContact SG-SG 3.03Å; C1161-K1262 PolarHBondContact N-O 3.24Å; C1161-K1262 PolarHBondContact O-N 2.95Å; C1161-Y1296 HydrophobicContact CB-CD2 3.98Å; C1161-Y1296 HydrophobicContact CB-CE1 4.26Å; C1161-Y1296 HydrophobicContact CB-CE2 3.4Å; C1161-Y1296 VanDerWaalsContact CB-CE2 3.4Å; C1161-Y1296 VanDerWaalsContact SG-CE1 3.51Å; C1161-Y1296 VanDerWaalsContact SG-CE2 3.51Å |
| 1162 | I | 94.5 | Very high | 90.4 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 107.8 | 177.7 | -50.9 | 171.2 | 0 | 0 | 0 | 108 | F1165 I1186 S1210 F1259 E1260 L1261 | I1162-F1165 HydrophobicContact CB-CB 4.16Å; I1162-F1165 HydrophobicContact CG2-CB 3.96Å; I1162-I1186 HydrophobicContact CD1-CD1 4.03Å; I1162-I1186 HydrophobicContact CD1-CG2 4.07Å; I1162-S1210 PolarHBondContact N-O 2.93Å; I1162-S1210 VanDerWaalsContact N-O 3.08Å; I1162-S1210 PolarHBondContact O-OG 3.07Å; I1162-S1210 VanDerWaalsContact O-OG 3.06Å; I1162-F1259 HydrophobicContact CG2-CB 3.89Å; I1162-F1259 HydrophobicContact CG2-CD1 3.67Å; I1162-F1259 HydrophobicContact CG2-CG 4.16Å; I1162-E1260 WeakPolarHBondContact CA-O 3.32Å; I1162-L1261 HydrophobicContact CG1-CD1 4.33Å |
| 1163 | A | 89.5 | Confident | 89.5 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 26% | 0.256 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -32.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1161 E1260 K1262 | C1161-A1163 PolarHBondContact O-N 3.05Å; A1163-E1260 PolarHBondContact N-O 3.41Å; A1163-K1262 HydrophobicContact CB-CD 3.85Å; A1163-K1262 HydrophobicContact CB-CG 3.83Å |
| 1164 | N | 89.9 | Confident | 88.9 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 18.9 | 178.5 | 66.7 | -23.1 | 0 | 0 | 0 | 113.2 | S1166 E1167 F1168 Q1258 F1259 E1260 | N1164-S1166 PolarHBondContact O-N 3.42Å; N1164-E1167 HydrophobicContact CB-CB 4.42Å; N1164-E1167 HydrophobicContact CB-CG 4.23Å; N1164-E1167 WeakPolarHBondContact O-CB 3.31Å; N1164-E1167 PolarHBondContact O-N 3.08Å; N1164-F1168 PolarHBondContact O-N 3.47Å; N1164-Q1258 PolarHBondContact ND2-O 2.87Å; N1164-F1259 WeakPolarHBondContact OD1-CA 3.3Å; N1164-E1260 PolarHBondContact OD1-N 3.02Å |
| 1165 | F | 88.1 | Confident | 88 | Confident | 18 Ų | 18 | 42.2 Ų | 42.2 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -30.5 | 176.2 | -171.6 | -98.4 | 0 | 0 | 0 | 112.3 | I1162 E1167 F1168 Y1169 M1179 L1180 M1183 F1259 | I1162-F1165 HydrophobicContact CB-CB 4.16Å; I1162-F1165 HydrophobicContact CG2-CB 3.96Å; F1165-E1167 VanDerWaalsContact C-N 3.25Å; F1165-E1167 PolarHBondContact O-N 3.21Å; F1165-F1168 HydrophobicContact CD2-CD1 4.3Å; F1165-F1168 AromaticContact CE2-CD1 3.95Å; F1165-F1168 HydrophobicContact CE2-CD1 3.95Å; F1165-F1168 PolarHBondContact O-N 3.5Å; F1165-F1168 VanDerWaalsContact O-N 3.12Å; F1165-Y1169 AromaticContact CE1-CD2 3.96Å; F1165-Y1169 HydrophobicContact CE1-CD2 3.96Å; F1165-Y1169 HydrophobicContact CE1-CG 4.27Å; F1165-Y1169 HydrophobicContact CZ-CD2 4.38Å; F1165-Y1169 VanDerWaalsContact O-CB 3.32Å; F1165-Y1169 WeakPolarHBondContact O-CB 3.4Å; F1165-Y1169 PolarHBondContact O-N 3.33Å; F1165-M1179 HydrophobicContact CZ-CB 4.32Å; F1165-M1179 WeakPolarHBondContact CZ-O 3.17Å; F1165-L1180 HydrophobicContact CE1-CD2 4.49Å; F1165-L1180 HydrophobicContact CZ-CD2 4.47Å; F1165-M1183 HydrophobicContact CD1-SD 4.5Å; F1165-M1183 HydrophobicContact CE1-SD 4.11Å; F1165-M1183 HydrophobicContact CE2-CB 3.8Å; F1165-M1183 HydrophobicContact CE2-CG 4.33Å; F1165-M1183 HydrophobicContact CE2-SD 4.34Å; F1165-M1183 HydrophobicContact CZ-CB 3.93Å; F1165-M1183 HydrophobicContact CZ-CG 4.45Å; F1165-M1183 HydrophobicContact CZ-SD 4.02Å; F1165-F1259 HydrophobicContact CD2-CE1 4.06Å |
| 1166 | S | 83.5 | Confident | 87.3 | Confident | 95 Ų | 95 | 42.2 Ų | 42.2 | 66% | 0.664 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -65.8 | -22.6 | 172.3 | 48.5 | 0 | 0 | 0 | 0 | 114 | N1164 | N1164-S1166 PolarHBondContact O-N 3.42Å |
| 1167 | E | 85.5 | Confident | 86.7 | Confident | 136 Ų | 136 | 44.3 Ų | 44.3 | 64% | 0.636 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -81 | -20.9 | 173.5 | -58.7 | 169.6 | -161.8 | 0 | 0 | 111.6 | N1164 F1165 F1257 | N1164-E1167 HydrophobicContact CB-CB 4.42Å; N1164-E1167 HydrophobicContact CB-CG 4.23Å; N1164-E1167 WeakPolarHBondContact O-CB 3.31Å; N1164-E1167 PolarHBondContact O-N 3.08Å; F1165-E1167 VanDerWaalsContact C-N 3.25Å; F1165-E1167 PolarHBondContact O-N 3.21Å; E1167-F1257 HydrophobicContact CB-CZ 4.39Å |
| 1168 | F | 84.6 | Confident | 86.1 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 18% | 0.184 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -93.5 | -24.2 | 177.4 | -177.5 | -105.8 | 0 | 0 | 0 | 113.3 | N1164 F1165 D1170 M1179 V1182 M1254 F1257 F1259 | N1164-F1168 PolarHBondContact O-N 3.47Å; F1165-F1168 HydrophobicContact CD2-CD1 4.3Å; F1165-F1168 AromaticContact CE2-CD1 3.95Å; F1165-F1168 HydrophobicContact CE2-CD1 3.95Å; F1165-F1168 PolarHBondContact O-N 3.5Å; F1165-F1168 VanDerWaalsContact O-N 3.12Å; F1168-D1170 PolarHBondContact O-N 2.94Å; F1168-M1179 HydrophobicContact CD1-CB 4.13Å; F1168-M1179 HydrophobicContact CD1-CG 3.97Å; F1168-M1179 HydrophobicContact CE1-CB 3.94Å; F1168-M1179 HydrophobicContact CE1-CG 3.78Å; F1168-M1179 HydrophobicContact CZ-CG 4.45Å; F1168-M1179 WeakPolarHBondContact O-CG 3.27Å; F1168-V1182 HydrophobicContact CE1-CB 4.03Å; F1168-V1182 HydrophobicContact CE1-CG1 3.99Å; F1168-V1182 HydrophobicContact CE1-CG2 4.32Å; F1168-V1182 HydrophobicContact CZ-CB 4.34Å; F1168-V1182 HydrophobicContact CZ-CG1 4.18Å; F1168-V1182 HydrophobicContact CZ-CG2 4.19Å; F1168-M1254 HydrophobicContact CE2-CE 3.72Å; F1168-M1254 HydrophobicContact CZ-CE 4.01Å; F1168-F1257 HydrophobicContact CB-CE1 3.94Å; F1168-F1257 HydrophobicContact CB-CE2 4.23Å; F1168-F1257 HydrophobicContact CB-CZ 3.75Å; F1168-F1257 AromaticContact CD2-CD1 3.99Å; F1168-F1257 HydrophobicContact CD2-CD1 3.99Å; F1168-F1257 HydrophobicContact CD2-CD2 4.24Å; F1168-F1257 HydrophobicContact CD2-CE1 4.22Å; F1168-F1257 HydrophobicContact CD2-CE2 4.43Å; F1168-F1257 HydrophobicContact CD2-CG 4.02Å; F1168-F1257 HydrophobicContact CD2-CZ 4.43Å; F1168-F1257 HydrophobicContact CG-CE1 4.36Å; F1168-F1259 HydrophobicContact CB-CE1 3.87Å; F1168-F1259 HydrophobicContact CB-CZ 4.46Å; F1168-F1259 AromaticContact CD1-CE1 3.72Å; F1168-F1259 HydrophobicContact CD1-CE1 3.72Å; F1168-F1259 AromaticContact CD1-CZ 3.66Å; F1168-F1259 HydrophobicContact CD1-CZ 3.66Å; F1168-F1259 HydrophobicContact CD2-CE1 4.15Å; F1168-F1259 AromaticContact CD2-CZ 3.93Å; F1168-F1259 HydrophobicContact CD2-CZ 3.93Å; F1168-F1259 HydrophobicContact CE1-CE1 4.29Å; F1168-F1259 AromaticContact CE1-CZ 3.75Å; F1168-F1259 HydrophobicContact CE1-CZ 3.75Å; F1168-F1259 HydrophobicContact CE2-CZ 4.03Å; F1168-F1259 AromaticContact CG-CE1 3.64Å; F1168-F1259 HydrophobicContact CG-CE1 3.64Å; F1168-F1259 AromaticContact CG-CZ 3.75Å; F1168-F1259 HydrophobicContact CG-CZ 3.75Å; F1168-F1259 AromaticContact CZ-CZ 3.94Å; F1168-F1259 HydrophobicContact CZ-CZ 3.94Å |
| 1169 | Y | 83.9 | Confident | 85.6 | Confident | 30 Ų | 30 | 47.7 Ų | 47.7 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | trans | -83.7 | 96.7 | -172.8 | -176.8 | -105 | 0 | 0 | 0 | 112.4 | I515 F1165 E1171 M1179 L1180 | I515-Y1169 HydrophobicContact CD1-CE2 4.41Å; I515-Y1169 WeakPolarHBondContact CD1-OH 3.41Å; F1165-Y1169 AromaticContact CE1-CD2 3.96Å; F1165-Y1169 HydrophobicContact CE1-CD2 3.96Å; F1165-Y1169 HydrophobicContact CE1-CG 4.27Å; F1165-Y1169 HydrophobicContact CZ-CD2 4.38Å; F1165-Y1169 VanDerWaalsContact O-CB 3.32Å; F1165-Y1169 WeakPolarHBondContact O-CB 3.4Å; F1165-Y1169 PolarHBondContact O-N 3.33Å; Y1169-E1171 HydrophobicContact CD1-CG 4.12Å; Y1169-E1171 HydrophobicContact CE1-CG 3.29Å; Y1169-E1171 WeakPolarHBondContact CE1-OE1 3.29Å; Y1169-E1171 HydrophobicContact CE2-CG 4.5Å; Y1169-E1171 WeakPolarHBondContact OH-CG 3.27Å; Y1169-E1171 PolarHBondContact OH-OE1 2.9Å; Y1169-M1179 HydrophobicContact CD2-CB 3.92Å; Y1169-L1180 HydrophobicContact CE2-CD2 4.22Å; Y1169-L1180 HydrophobicContact CE2-CG 4.38Å | ||
| 1170 | D | 81.6 | Confident | 85.2 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 34% | 0.342 | 24% | 0.235 | S | C | . | . | trans | -108.5 | 112.7 | 171.9 | 176.7 | 29.4 | 0 | 0 | 0 | 111.9 | F1168 Q1172 Y1173 M1179 | F1168-D1170 PolarHBondContact O-N 2.94Å; D1170-Q1172 PolarHBondContact O-N 3.08Å; D1170-Q1172 VanDerWaalsContact OD1-CB 3.28Å; D1170-Q1172 WeakPolarHBondContact OD1-CB 3.38Å; D1170-Q1172 WeakPolarHBondContact OD1-CG 3.39Å; D1170-Q1172 PolarHBondContact OD1-N 3.17Å; D1170-Q1172 PolarHBondContact OD1-NE2 2.84Å; D1170-Y1173 PolarHBondContact O-N 3.35Å; D1170-M1179 HydrophobicContact CB-CE 4.16Å | ||
| 1171 | E | 80.1 | Confident | 84.8 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 8% | 0.084 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10.4 | 178.1 | -61.2 | -178.7 | 139.3 | 0 | 0 | 113.7 | K513 S530 N531 Y1169 Y1173 G1175 | K513-E1171 WeakPolarHBondContact CE-OE2 3.36Å; K513-E1171 VanDerWaalsContact NZ-CB 3.32Å; K513-E1171 VanDerWaalsContact NZ-CD 3.34Å; K513-E1171 IonicContact NZ-OE2 2.81Å; K513-E1171 PolarHBondContact NZ-OE2 3.03Å; S530-E1171 WeakPolarHBondContact CA-OE1 3.37Å; S530-E1171 WeakPolarHBondContact CB-OE1 3.4Å; S530-E1171 PolarHBondContact OG-OE1 2.89Å; N531-E1171 PolarHBondContact N-OE1 3.26Å; N531-E1171 PolarHBondContact ND2-OE2 3.32Å; Y1169-E1171 HydrophobicContact CD1-CG 4.12Å; Y1169-E1171 HydrophobicContact CE1-CG 3.29Å; Y1169-E1171 WeakPolarHBondContact CE1-OE1 3.29Å; Y1169-E1171 HydrophobicContact CE2-CG 4.5Å; Y1169-E1171 WeakPolarHBondContact OH-CG 3.27Å; Y1169-E1171 PolarHBondContact OH-OE1 2.9Å; E1171-Y1173 VanDerWaalsContact C-N 3.3Å; E1171-G1175 CarbonylContact O-C 3.53Å; E1171-G1175 WeakPolarHBondContact O-CA 3.25Å; E1171-G1175 PolarHBondContact O-N 3.2Å |
| 1172 | Q | 76.8 | Confident | 84.4 | Confident | 178 Ų | 178 | 50.6 Ų | 50.6 | 83% | 0.832 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -27.1 | 174 | -61.4 | 165.9 | 83.4 | 0 | 0 | 111.1 | D1170 Q1174 | D1170-Q1172 PolarHBondContact O-N 3.08Å; D1170-Q1172 VanDerWaalsContact OD1-CB 3.28Å; D1170-Q1172 WeakPolarHBondContact OD1-CB 3.38Å; D1170-Q1172 WeakPolarHBondContact OD1-CG 3.39Å; D1170-Q1172 PolarHBondContact OD1-N 3.17Å; D1170-Q1172 PolarHBondContact OD1-NE2 2.84Å; Q1172-Q1174 PolarHBondContact O-N 3.22Å |
| 1173 | Y | 75 | Confident | 84.2 | Confident | 127 Ų | 127 | 50.6 Ų | 50.6 | 50% | 0.498 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 103.8 | 178.1 | -169.4 | -91.8 | 0 | 0 | 0 | 111.6 | D1170 E1171 G1175 G1176 E1178 M1179 | D1170-Y1173 PolarHBondContact O-N 3.35Å; E1171-Y1173 VanDerWaalsContact C-N 3.3Å; Y1173-G1175 PolarHBondContact O-N 3.03Å; Y1173-G1175 VanDerWaalsContact O-N 3.14Å; Y1173-G1176 PolarHBondContact O-N 3.19Å; Y1173-E1178 HydrophobicContact CE1-CB 4.41Å; Y1173-E1178 HydrophobicContact CE1-CG 4.29Å; Y1173-M1179 HydrophobicContact CD1-CE 4.07Å; Y1173-M1179 HydrophobicContact CD1-SD 4.3Å; Y1173-M1179 HydrophobicContact CG-CE 4.25Å |
| 1174 | Q | 78.6 | Confident | 84.3 | Confident | 114 Ų | 114 | 49.4 Ų | 49.4 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | 49.4 | 39.8 | -179.3 | -58.9 | -167 | -12 | 0 | 0 | 113.1 | Q1172 G1176 Q1177 | Q1172-Q1174 PolarHBondContact O-N 3.22Å; Q1174-G1176 PolarHBondContact O-N 3.48Å; Q1174-G1176 VanDerWaalsContact O-N 3.1Å; Q1174-Q1177 PolarHBondContact O-N 2.91Å; Q1174-Q1177 VanDerWaalsContact O-N 3.16Å |
| 1175 | G | 76.3 | Confident | 84.3 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | 71.9 | -4.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q408 I515 E1171 Y1173 | Q408-G1175 VanDerWaalsContact OE1-CA 3.31Å; I515-G1175 WeakPolarHBondContact CD1-O 3.24Å; E1171-G1175 CarbonylContact O-C 3.53Å; E1171-G1175 WeakPolarHBondContact O-CA 3.25Å; E1171-G1175 PolarHBondContact O-N 3.2Å; Y1173-G1175 PolarHBondContact O-N 3.03Å; Y1173-G1175 VanDerWaalsContact O-N 3.14Å |
| 1176 | G | 81.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | 95.2 | 1.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1173 Q1174 E1178 M1179 L1180 | Y1173-G1176 PolarHBondContact O-N 3.19Å; Q1174-G1176 PolarHBondContact O-N 3.48Å; Q1174-G1176 VanDerWaalsContact O-N 3.1Å; G1176-E1178 PolarHBondContact O-N 3.12Å; G1176-M1179 PolarHBondContact O-N 2.72Å; G1176-L1180 PolarHBondContact O-N 3.22Å |
| 1177 | Q | 85.7 | Confident | 85 | Confident | 44 Ų | 44 | 44.4 Ų | 44.4 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62 | -42.3 | -174.9 | -68.7 | -168.4 | -14.2 | 0 | 0 | 113.4 | V406 I515 Q1174 M1179 L1180 R1181 | V406-Q1177 HydrophobicContact CG2-CB 4.27Å; V406-Q1177 HydrophobicContact CG2-CG 4.18Å; I515-Q1177 HydrophobicContact CG2-CG 4.16Å; Q1174-Q1177 PolarHBondContact O-N 2.91Å; Q1174-Q1177 VanDerWaalsContact O-N 3.16Å; Q1177-M1179 VanDerWaalsContact C-N 3.28Å; Q1177-M1179 PolarHBondContact O-N 3.28Å; Q1177-L1180 PolarHBondContact O-N 3.28Å; Q1177-R1181 PolarHBondContact O-N 2.86Å |
| 1178 | E | 84.8 | Confident | 85.2 | Confident | 48 Ų | 48 | 38 Ų | 38 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.2 | -27.8 | -179.3 | -64.3 | -54.8 | 110.7 | 0 | 0 | 112.7 | Y1173 G1176 R1181 V1182 | Y1173-E1178 HydrophobicContact CE1-CB 4.41Å; Y1173-E1178 HydrophobicContact CE1-CG 4.29Å; G1176-E1178 PolarHBondContact O-N 3.12Å; E1178-R1181 VanDerWaalsContact CD-NE 3.31Å; E1178-R1181 WeakPolarHBondContact O-CB 3.3Å; E1178-R1181 PolarHBondContact O-N 3.34Å; E1178-R1181 IonicContact OE1-CZ 2.66Å; E1178-R1181 VanDerWaalsContact OE1-CZ 3.28Å; E1178-R1181 IonicContact OE1-NE 2.65Å; E1178-R1181 PolarHBondContact OE1-NE 3.48Å; E1178-R1181 IonicContact OE1-NH2 2.66Å; E1178-R1181 PolarHBondContact OE1-NH2 3.17Å; E1178-R1181 WeakPolarHBondContact OE2-CD 3.49Å; E1178-R1181 IonicContact OE2-CZ 2.8Å; E1178-R1181 IonicContact OE2-NE 2.68Å; E1178-R1181 PolarHBondContact OE2-NE 3.2Å; E1178-R1181 IonicContact OE2-NH2 3.39Å; E1178-V1182 PolarHBondContact O-N 3.22Å |
| 1179 | M | 87.3 | Confident | 85.6 | Confident | 23 Ų | 23 | 38.4 Ų | 38.4 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.1 | -38.8 | 174.7 | -68 | 68.5 | 175.9 | 0 | 0 | 110.9 | F1165 F1168 Y1169 D1170 Y1173 G1176 Q1177 R1181 V1182 M1183 | F1165-M1179 HydrophobicContact CZ-CB 4.32Å; F1165-M1179 WeakPolarHBondContact CZ-O 3.17Å; F1168-M1179 HydrophobicContact CD1-CB 4.13Å; F1168-M1179 HydrophobicContact CD1-CG 3.97Å; F1168-M1179 HydrophobicContact CE1-CB 3.94Å; F1168-M1179 HydrophobicContact CE1-CG 3.78Å; F1168-M1179 HydrophobicContact CZ-CG 4.45Å; F1168-M1179 WeakPolarHBondContact O-CG 3.27Å; Y1169-M1179 HydrophobicContact CD2-CB 3.92Å; D1170-M1179 HydrophobicContact CB-CE 4.16Å; Y1173-M1179 HydrophobicContact CD1-CE 4.07Å; Y1173-M1179 HydrophobicContact CD1-SD 4.3Å; Y1173-M1179 HydrophobicContact CG-CE 4.25Å; G1176-M1179 PolarHBondContact O-N 2.72Å; Q1177-M1179 VanDerWaalsContact C-N 3.28Å; Q1177-M1179 PolarHBondContact O-N 3.28Å; M1179-R1181 VanDerWaalsContact C-N 3.33Å; M1179-V1182 PolarHBondContact O-N 3.37Å; M1179-M1183 PolarHBondContact O-N 3.2Å; M1179-M1183 VanDerWaalsContact O-N 3.1Å |
| 1180 | L | 88.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.4 | -31.3 | 171 | -58.7 | -179.8 | 0 | 0 | 0 | 112.2 | F404 V406 I515 W529 F1165 Y1169 G1176 Q1177 M1183 N1184 | F404-L1180 HydrophobicContact CE1-CB 4Å; F404-L1180 HydrophobicContact CZ-CB 3.58Å; V406-L1180 HydrophobicContact CG1-CD1 4.46Å; I515-L1180 HydrophobicContact CB-CD1 4.05Å; I515-L1180 HydrophobicContact CD1-CD1 3.65Å; I515-L1180 HydrophobicContact CD1-CG 4.35Å; I515-L1180 HydrophobicContact CG1-CD1 4.49Å; I515-L1180 HydrophobicContact CG2-CD1 3.87Å; W529-L1180 HydrophobicContact CB-CD1 3.9Å; W529-L1180 HydrophobicContact CB-CD2 4.11Å; W529-L1180 HydrophobicContact CD2-CD1 4Å; W529-L1180 HydrophobicContact CD2-CD2 4.34Å; W529-L1180 HydrophobicContact CE3-CD1 3.91Å; W529-L1180 HydrophobicContact CG-CD1 4.02Å; W529-L1180 HydrophobicContact CG-CD2 3.91Å; F1165-L1180 HydrophobicContact CE1-CD2 4.49Å; F1165-L1180 HydrophobicContact CZ-CD2 4.47Å; Y1169-L1180 HydrophobicContact CE2-CD2 4.22Å; Y1169-L1180 HydrophobicContact CE2-CG 4.38Å; G1176-L1180 PolarHBondContact O-N 3.22Å; Q1177-L1180 PolarHBondContact O-N 3.28Å; L1180-M1183 HydrophobicContact CD2-CE 3.69Å; L1180-M1183 PolarHBondContact O-N 2.99Å; L1180-N1184 WeakPolarHBondContact O-CB 3.41Å; L1180-N1184 PolarHBondContact O-N 3.43Å |
| 1181 | R | 88.3 | Confident | 86.6 | Confident | 51 Ų | 51 | 34 Ų | 34 | 19% | 0.192 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 172.1 | -168.3 | -171.4 | -54.8 | -67.8 | -7.9 | 111.1 | F401 F404 Q1177 E1178 M1179 N1184 E1185 | F401-R1181 HydrophobicContact CD1-CG 4.11Å; F401-R1181 HydrophobicContact CG-CG 4.45Å; F404-R1181 HydrophobicContact CD1-CB 3.69Å; F404-R1181 HydrophobicContact CD1-CG 3.93Å; F404-R1181 HydrophobicContact CE1-CB 3.88Å; F404-R1181 HydrophobicContact CG-CG 4.5Å; Q1177-R1181 PolarHBondContact O-N 2.86Å; E1178-R1181 VanDerWaalsContact CD-NE 3.31Å; E1178-R1181 WeakPolarHBondContact O-CB 3.3Å; E1178-R1181 PolarHBondContact O-N 3.34Å; E1178-R1181 IonicContact OE1-CZ 2.66Å; E1178-R1181 VanDerWaalsContact OE1-CZ 3.28Å; E1178-R1181 IonicContact OE1-NE 2.65Å; E1178-R1181 PolarHBondContact OE1-NE 3.48Å; E1178-R1181 IonicContact OE1-NH2 2.66Å; E1178-R1181 PolarHBondContact OE1-NH2 3.17Å; E1178-R1181 WeakPolarHBondContact OE2-CD 3.49Å; E1178-R1181 IonicContact OE2-CZ 2.8Å; E1178-R1181 IonicContact OE2-NE 2.68Å; E1178-R1181 PolarHBondContact OE2-NE 3.2Å; E1178-R1181 IonicContact OE2-NH2 3.39Å; M1179-R1181 VanDerWaalsContact C-N 3.33Å; R1181-N1184 WeakPolarHBondContact O-CB 3.4Å; R1181-N1184 PolarHBondContact O-N 3.11Å; R1181-E1185 PolarHBondContact O-N 3.24Å; R1181-E1185 VanDerWaalsContact O-N 3.11Å |
| 1182 | V | 89.5 | Confident | 87.2 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 14% | 0.139 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | F1168 E1178 M1179 N1184 E1185 I1186 F1250 M1254 F1259 | F1168-V1182 HydrophobicContact CE1-CB 4.03Å; F1168-V1182 HydrophobicContact CE1-CG1 3.99Å; F1168-V1182 HydrophobicContact CE1-CG2 4.32Å; F1168-V1182 HydrophobicContact CZ-CB 4.34Å; F1168-V1182 HydrophobicContact CZ-CG1 4.18Å; F1168-V1182 HydrophobicContact CZ-CG2 4.19Å; E1178-V1182 PolarHBondContact O-N 3.22Å; M1179-V1182 PolarHBondContact O-N 3.37Å; V1182-N1184 VanDerWaalsContact C-N 3.31Å; V1182-N1184 PolarHBondContact O-N 3.25Å; V1182-E1185 PolarHBondContact O-N 3.39Å; V1182-I1186 HydrophobicContact CG1-CD1 4.17Å; V1182-I1186 WeakPolarHBondContact O-CG1 3.48Å; V1182-I1186 PolarHBondContact O-N 3.41Å; V1182-F1250 HydrophobicContact CG1-CE1 4Å; V1182-F1250 HydrophobicContact CG1-CZ 4.05Å; V1182-M1254 HydrophobicContact CG1-SD 4.5Å; V1182-F1259 HydrophobicContact CG1-CE2 3.84Å; V1182-F1259 HydrophobicContact CG1-CZ 3.79Å |
| 1183 | M | 90.4 | Very high | 88 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -37.7 | 174.3 | -171.5 | 174.8 | 68.1 | 0 | 0 | 112.6 | V519 F1165 M1179 L1180 I1186 F1187 | V519-M1183 HydrophobicContact CG2-CE 4.46Å; F1165-M1183 HydrophobicContact CD1-SD 4.5Å; F1165-M1183 HydrophobicContact CE1-SD 4.11Å; F1165-M1183 HydrophobicContact CE2-CB 3.8Å; F1165-M1183 HydrophobicContact CE2-CG 4.33Å; F1165-M1183 HydrophobicContact CE2-SD 4.34Å; F1165-M1183 HydrophobicContact CZ-CB 3.93Å; F1165-M1183 HydrophobicContact CZ-CG 4.45Å; F1165-M1183 HydrophobicContact CZ-SD 4.02Å; M1179-M1183 PolarHBondContact O-N 3.2Å; M1179-M1183 VanDerWaalsContact O-N 3.1Å; L1180-M1183 HydrophobicContact CD2-CE 3.69Å; L1180-M1183 PolarHBondContact O-N 2.99Å; M1183-I1186 PolarHBondContact O-N 3.25Å; M1183-F1187 HydrophobicContact CE-CE2 4.4Å; M1183-F1187 HydrophobicContact CG-CD2 4.07Å; M1183-F1187 HydrophobicContact CG-CE2 3.72Å; M1183-F1187 HydrophobicContact CG-CZ 4.01Å; M1183-F1187 PolarHBondContact O-N 3.15Å; M1183-F1187 HydrophobicContact SD-CE2 3.96Å; M1183-F1187 HydrophobicContact SD-CZ 4.23Å |
| 1184 | N | 90.1 | Very high | 88.8 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.1 | -178.1 | 72.6 | 0 | 0 | 0 | 112.5 | F404 V519 G520 L1180 R1181 V1182 A1188 | F404-N1184 HydrophobicContact CD2-CB 3.97Å; F404-N1184 HydrophobicContact CE2-CB 4.1Å; V519-N1184 HydrophobicContact CG1-CB 4.4Å; G520-N1184 PolarHBondContact N-OD1 3.03Å; L1180-N1184 WeakPolarHBondContact O-CB 3.41Å; L1180-N1184 PolarHBondContact O-N 3.43Å; R1181-N1184 WeakPolarHBondContact O-CB 3.4Å; R1181-N1184 PolarHBondContact O-N 3.11Å; V1182-N1184 VanDerWaalsContact C-N 3.31Å; V1182-N1184 PolarHBondContact O-N 3.25Å; N1184-A1188 VanDerWaalsContact O-CB 3.25Å; N1184-A1188 WeakPolarHBondContact O-CB 3.38Å; N1184-A1188 PolarHBondContact O-N 3.47Å |
| 1185 | E | 90.7 | Very high | 89.3 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 6% | 0.061 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.7 | -46.1 | 173.5 | -62.1 | -55.6 | 154.2 | 0 | 0 | 112 | F401 R402 R1181 V1182 F1187 A1188 D1189 F1250 | F401-E1185 WeakPolarHBondContact CA-OE1 3.43Å; F401-E1185 HydrophobicContact CD1-CG 3.75Å; F401-E1185 HydrophobicContact CE1-CG 4.18Å; R402-E1185 WeakPolarHBondContact CB-OE1 3Å; R402-E1185 VanDerWaalsContact CD-OE2 3.23Å; R402-E1185 WeakPolarHBondContact CD-OE2 3.41Å; R402-E1185 WeakPolarHBondContact CG-OE2 3.34Å; R402-E1185 IonicContact CZ-OE2 2.79Å; R402-E1185 PolarHBondContact N-OE1 2.73Å; R402-E1185 IonicContact NE-OE2 3.25Å; R402-E1185 IonicContact NH1-OE2 3.17Å; R402-E1185 PolarHBondContact NH1-OE2 2.76Å; R1181-E1185 PolarHBondContact O-N 3.24Å; R1181-E1185 VanDerWaalsContact O-N 3.11Å; V1182-E1185 PolarHBondContact O-N 3.39Å; E1185-F1187 VanDerWaalsContact C-N 3.35Å; E1185-F1187 PolarHBondContact O-N 2.55Å; E1185-A1188 PolarHBondContact O-N 3.49Å; E1185-D1189 PolarHBondContact O-N 3.32Å; E1185-F1250 HydrophobicContact CB-CE2 4Å; E1185-F1250 HydrophobicContact CB-CZ 4.41Å |
| 1186 | I | 92.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 178.4 | -66.3 | 161.9 | 0 | 0 | 0 | 110.8 | I1162 V1182 M1183 D1189 F1190 L1247 F1250 F1259 | I1162-I1186 HydrophobicContact CD1-CD1 4.03Å; I1162-I1186 HydrophobicContact CD1-CG2 4.07Å; V1182-I1186 HydrophobicContact CG1-CD1 4.17Å; V1182-I1186 WeakPolarHBondContact O-CG1 3.48Å; V1182-I1186 PolarHBondContact O-N 3.41Å; M1183-I1186 PolarHBondContact O-N 3.25Å; I1186-D1189 PolarHBondContact O-N 2.87Å; I1186-F1190 HydrophobicContact CG2-CD1 4.32Å; I1186-F1190 HydrophobicContact CG2-CD2 4.42Å; I1186-F1190 HydrophobicContact CG2-CE1 3.78Å; I1186-F1190 HydrophobicContact CG2-CE2 3.9Å; I1186-F1190 HydrophobicContact CG2-CZ 3.55Å; I1186-F1190 VanDerWaalsContact O-CD1 3.31Å; I1186-F1190 WeakPolarHBondContact O-CD1 3.49Å; I1186-F1190 VanDerWaalsContact O-CG 3.3Å; I1186-F1190 WeakPolarHBondContact O-CG 3.15Å; I1186-F1190 PolarHBondContact O-N 3.47Å; I1186-L1247 HydrophobicContact CD1-CD1 4.16Å; I1186-L1247 HydrophobicContact CG1-CD1 4.34Å; I1186-L1247 HydrophobicContact CG2-CD1 3.78Å; I1186-F1250 HydrophobicContact CD1-CD1 3.98Å; I1186-F1250 HydrophobicContact CD1-CE1 3.72Å; I1186-F1250 HydrophobicContact CD1-CZ 4.09Å; I1186-F1250 HydrophobicContact CG1-CD1 3.75Å; I1186-F1250 HydrophobicContact CG1-CD2 3.84Å; I1186-F1250 HydrophobicContact CG1-CE1 3.61Å; I1186-F1250 HydrophobicContact CG1-CE2 3.7Å; I1186-F1250 HydrophobicContact CG1-CG 3.87Å; I1186-F1250 HydrophobicContact CG1-CZ 3.59Å; I1186-F1259 HydrophobicContact CD1-CD2 3.93Å; I1186-F1259 HydrophobicContact CD1-CE2 3.99Å; I1186-F1259 HydrophobicContact CD1-CG 4.4Å |
| 1187 | F | 93 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69 | -33.2 | 177.8 | -69.6 | -16.6 | 0 | 0 | 0 | 113.1 | V519 M1183 E1185 D1189 F1190 E1191 T1207 F1212 | V519-F1187 HydrophobicContact CG1-CD2 3.75Å; V519-F1187 HydrophobicContact CG1-CE2 4.38Å; M1183-F1187 HydrophobicContact CE-CE2 4.4Å; M1183-F1187 HydrophobicContact CG-CD2 4.07Å; M1183-F1187 HydrophobicContact CG-CE2 3.72Å; M1183-F1187 HydrophobicContact CG-CZ 4.01Å; M1183-F1187 PolarHBondContact O-N 3.15Å; M1183-F1187 HydrophobicContact SD-CE2 3.96Å; M1183-F1187 HydrophobicContact SD-CZ 4.23Å; E1185-F1187 VanDerWaalsContact C-N 3.35Å; E1185-F1187 PolarHBondContact O-N 2.55Å; F1187-D1189 VanDerWaalsContact C-N 3.35Å; F1187-F1190 AromaticContact CD1-CD2 3.93Å; F1187-F1190 HydrophobicContact CD1-CD2 3.93Å; F1187-F1190 HydrophobicContact CD1-CE2 4.21Å; F1187-F1190 HydrophobicContact CE1-CD2 4.5Å; F1187-F1190 HydrophobicContact CE1-CE2 4.43Å; F1187-F1190 PolarHBondContact O-N 3.02Å; F1187-E1191 WeakPolarHBondContact O-CB 3.48Å; F1187-E1191 WeakPolarHBondContact O-CG 3.31Å; F1187-E1191 PolarHBondContact O-N 2.95Å; F1187-T1207 HydrophobicContact CD2-CG2 3.59Å; F1187-T1207 HydrophobicContact CE2-CG2 3.58Å; F1187-T1207 HydrophobicContact CG-CG2 4.15Å; F1187-T1207 HydrophobicContact CZ-CG2 4.13Å; F1187-F1212 HydrophobicContact CD1-CD2 4.18Å; F1187-F1212 HydrophobicContact CE1-CB 4.22Å; F1187-F1212 HydrophobicContact CG-CD2 4.46Å |
| 1188 | A | 90.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.5 | -32.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R402 T521 N1184 E1185 H1192 | R402-A1188 VanDerWaalsContact CD-CB 3.43Å; T521-A1188 HydrophobicContact CG2-CB 3.89Å; N1184-A1188 VanDerWaalsContact O-CB 3.25Å; N1184-A1188 WeakPolarHBondContact O-CB 3.38Å; N1184-A1188 PolarHBondContact O-N 3.47Å; E1185-A1188 PolarHBondContact O-N 3.49Å; A1188-H1192 PolarHBondContact O-N 3.49Å |
| 1189 | D | 92.5 | Very high | 91.4 | Very high | 49 Ų | 49 | 34.1 Ų | 34.1 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.9 | -39.9 | 173 | -70.9 | -11.5 | 0 | 0 | 0 | 111.6 | R402 E1185 I1186 F1187 E1191 H1192 T1246 | R402-D1189 IonicContact CZ-OD1 3Å; R402-D1189 VanDerWaalsContact CZ-OD1 3.22Å; R402-D1189 IonicContact NH1-OD1 3.72Å; R402-D1189 PolarHBondContact NH1-OD1 2.9Å; R402-D1189 IonicContact NH2-OD1 2.74Å; R402-D1189 PolarHBondContact NH2-OD1 3.44Å; E1185-D1189 PolarHBondContact O-N 3.32Å; I1186-D1189 PolarHBondContact O-N 2.87Å; F1187-D1189 VanDerWaalsContact C-N 3.35Å; D1189-E1191 VanDerWaalsContact C-N 3.34Å; D1189-E1191 PolarHBondContact O-N 2.85Å; D1189-H1192 PolarHBondContact O-N 3.08Å; D1189-T1246 HydrophobicContact CB-CG2 3.95Å |
| 1190 | F | 94.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 170.1 | -67.9 | -2 | 0 | 0 | 0 | 111.9 | I1186 F1187 Q1193 F1212 L1243 T1246 L1247 L1261 | I1186-F1190 HydrophobicContact CG2-CD1 4.32Å; I1186-F1190 HydrophobicContact CG2-CD2 4.42Å; I1186-F1190 HydrophobicContact CG2-CE1 3.78Å; I1186-F1190 HydrophobicContact CG2-CE2 3.9Å; I1186-F1190 HydrophobicContact CG2-CZ 3.55Å; I1186-F1190 VanDerWaalsContact O-CD1 3.31Å; I1186-F1190 WeakPolarHBondContact O-CD1 3.49Å; I1186-F1190 VanDerWaalsContact O-CG 3.3Å; I1186-F1190 WeakPolarHBondContact O-CG 3.15Å; I1186-F1190 PolarHBondContact O-N 3.47Å; F1187-F1190 AromaticContact CD1-CD2 3.93Å; F1187-F1190 HydrophobicContact CD1-CD2 3.93Å; F1187-F1190 HydrophobicContact CD1-CE2 4.21Å; F1187-F1190 HydrophobicContact CE1-CD2 4.5Å; F1187-F1190 HydrophobicContact CE1-CE2 4.43Å; F1187-F1190 PolarHBondContact O-N 3.02Å; F1190-Q1193 PolarHBondContact O-N 3.4Å; F1190-F1212 HydrophobicContact CB-CE2 4.3Å; F1190-F1212 HydrophobicContact CD2-CB 4.4Å; F1190-F1212 HydrophobicContact CD2-CD2 4.29Å; F1190-F1212 HydrophobicContact CD2-CG 4.3Å; F1190-L1243 HydrophobicContact CB-CD2 3.68Å; F1190-L1243 HydrophobicContact CD1-CD2 3.68Å; F1190-L1243 HydrophobicContact CD2-CD2 3.96Å; F1190-L1243 HydrophobicContact CE1-CD2 4.26Å; F1190-L1243 HydrophobicContact CG-CD2 3.51Å; F1190-T1246 HydrophobicContact CD1-CG2 3.85Å; F1190-T1246 HydrophobicContact CE1-CG2 4.05Å; F1190-L1247 HydrophobicContact CE1-CB 4.5Å; F1190-L1247 HydrophobicContact CZ-CB 4.46Å; F1190-L1247 HydrophobicContact CZ-CD1 4.4Å; F1190-L1261 HydrophobicContact CE2-CD1 4.35Å; F1190-L1261 HydrophobicContact CZ-CD1 4.25Å |
| 1191 | E | 93 | Very high | 91.9 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.009 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.8 | -31.3 | 177.7 | -75.4 | 167.5 | -169.4 | 0 | 0 | 113.4 | T521 R522 F1187 D1189 Q1193 L1194 K1204 F1212 | T521-E1191 VanDerWaalsContact CA-OE2 3.3Å; T521-E1191 WeakPolarHBondContact CA-OE2 3.42Å; T521-E1191 WeakPolarHBondContact CB-OE2 3.3Å; T521-E1191 PolarHBondContact N-OE2 3.48Å; T521-E1191 PolarHBondContact OG1-OE2 3.38Å; R522-E1191 HydrophobicContact CB-CG 4.37Å; R522-E1191 PolarHBondContact N-OE2 3.31Å; F1187-E1191 WeakPolarHBondContact O-CB 3.48Å; F1187-E1191 WeakPolarHBondContact O-CG 3.31Å; F1187-E1191 PolarHBondContact O-N 2.95Å; D1189-E1191 VanDerWaalsContact C-N 3.34Å; D1189-E1191 PolarHBondContact O-N 2.85Å; E1191-Q1193 PolarHBondContact O-N 3.33Å; E1191-L1194 WeakPolarHBondContact O-CB 3.37Å; E1191-L1194 PolarHBondContact O-N 2.91Å; E1191-K1204 HydrophobicContact CG-CD 4.18Å; E1191-K1204 IonicContact OE1-NZ 3.23Å; E1191-K1204 PolarHBondContact OE1-NZ 2.85Å; E1191-F1212 HydrophobicContact CG-CE2 3.9Å; E1191-F1212 HydrophobicContact CG-CZ 4.19Å |
| 1192 | H | 91.9 | Very high | 92.2 | Very high | 136 Ų | 136 | 35 Ų | 35 | 63% | 0.63 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -61.3 | -33.4 | 177.1 | -166.9 | 73.9 | 0 | 0 | 0 | 111.7 | A1188 D1189 L1194 A1195 | A1188-H1192 PolarHBondContact O-N 3.49Å; D1189-H1192 PolarHBondContact O-N 3.08Å; H1192-L1194 PolarHBondContact O-N 3.42Å; H1192-A1195 WeakPolarHBondContact O-CB 3.01Å; H1192-A1195 PolarHBondContact O-N 3Å; H1192-A1195 VanDerWaalsContact O-N 3.14Å |
| 1193 | Q | 92.8 | Very high | 92.4 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 12% | 0.121 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.2 | -31 | 173.1 | -67.2 | -147.6 | 17.4 | 0 | 0 | 113.3 | F1190 E1191 A1195 L1196 Y1199 F1239 D1242 T1246 | F1190-Q1193 PolarHBondContact O-N 3.4Å; E1191-Q1193 PolarHBondContact O-N 3.33Å; Q1193-A1195 PolarHBondContact O-N 2.95Å; Q1193-A1195 VanDerWaalsContact O-N 3.07Å; Q1193-L1196 HydrophobicContact CB-CD1 4.48Å; Q1193-L1196 VanDerWaalsContact O-CB 3.25Å; Q1193-L1196 WeakPolarHBondContact O-CB 3.23Å; Q1193-L1196 WeakPolarHBondContact O-CG 3.38Å; Q1193-L1196 PolarHBondContact O-N 3.41Å; Q1193-Y1199 HydrophobicContact CB-CD2 4.4Å; Q1193-Y1199 HydrophobicContact CB-CE2 4.39Å; Q1193-F1239 HydrophobicContact CB-CD2 4.42Å; Q1193-F1239 HydrophobicContact CB-CE2 4.01Å; Q1193-D1242 PolarHBondContact NE2-O 3.47Å; Q1193-T1246 PolarHBondContact NE2-OG1 3.31Å |
| 1194 | L | 92.6 | Very high | 92.6 | Very high | 19 Ų | 19 | 35.9 Ų | 35.9 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | 2.3 | 177.5 | -59.8 | 174.1 | 0 | 0 | 0 | 113.4 | R522 E1191 H1192 V1202 K1204 F1212 F1239 | R522-L1194 PolarHBondContact NH1-O 3.26Å; E1191-L1194 WeakPolarHBondContact O-CB 3.37Å; E1191-L1194 PolarHBondContact O-N 2.91Å; H1192-L1194 PolarHBondContact O-N 3.42Å; L1194-V1202 HydrophobicContact CD2-CB 4.15Å; L1194-V1202 HydrophobicContact CD2-CG1 3.72Å; L1194-K1204 HydrophobicContact CD1-CB 3.84Å; L1194-F1212 HydrophobicContact CD1-CZ 4.23Å; L1194-F1239 HydrophobicContact CD1-CZ 4.45Å; L1194-F1239 HydrophobicContact CD2-CD2 4.13Å; L1194-F1239 HydrophobicContact CD2-CE1 4.31Å; L1194-F1239 HydrophobicContact CD2-CE2 3.55Å; L1194-F1239 HydrophobicContact CD2-CZ 3.66Å; L1194-F1239 HydrophobicContact CG-CE2 3.97Å; L1194-F1239 HydrophobicContact CG-CZ 4.02Å |
| 1195 | A | 88.9 | Confident | 92.7 | Very high | 64 Ų | 64 | 36 Ų | 36 | 53% | 0.529 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -11.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | H1192 Q1193 | H1192-A1195 WeakPolarHBondContact O-CB 3.01Å; H1192-A1195 PolarHBondContact O-N 3Å; H1192-A1195 VanDerWaalsContact O-N 3.14Å; Q1193-A1195 PolarHBondContact O-N 2.95Å; Q1193-A1195 VanDerWaalsContact O-N 3.07Å |
| 1196 | L | 92.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 36.2 Ų | 36.2 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -77.5 | 133.2 | -179.2 | -59.5 | 174.9 | 0 | 0 | 0 | 111.2 | Q1193 K1198 Y1199 | Q1193-L1196 HydrophobicContact CB-CD1 4.48Å; Q1193-L1196 VanDerWaalsContact O-CB 3.25Å; Q1193-L1196 WeakPolarHBondContact O-CB 3.23Å; Q1193-L1196 WeakPolarHBondContact O-CG 3.38Å; Q1193-L1196 PolarHBondContact O-N 3.41Å; L1196-K1198 HydrophobicContact CB-CG 4.01Å; L1196-K1198 PolarHBondContact O-N 3.48Å; L1196-Y1199 HydrophobicContact CB-CD2 4.33Å; L1196-Y1199 HydrophobicContact CD1-CE2 4.43Å; L1196-Y1199 PolarHBondContact O-N 3.44Å |
| 1197 | S | 90.9 | Very high | 92.5 | Very high | 111 Ų | 111 | 36.6 Ų | 36.6 | 78% | 0.776 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -60.9 | -19.5 | -177.5 | 55.9 | 0 | 0 | 0 | 0 | 115 | Y1199 | S1197-Y1199 PolarHBondContact O-N 2.99Š|
| 1198 | K | 93.6 | Very high | 92.3 | Very high | 97 Ų | 97 | 39 Ų | 39 | 42% | 0.422 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -67.8 | -18.6 | 171.7 | 57.8 | 161.9 | 173.3 | 161.8 | 0 | 114 | L1196 D1242 | L1196-K1198 HydrophobicContact CB-CG 4.01Å; L1196-K1198 PolarHBondContact O-N 3.48Å; K1198-D1242 IonicContact NZ-OD2 2.67Å; K1198-D1242 PolarHBondContact NZ-OD2 2.77Å |
| 1199 | Y | 94.9 | Very high | 92 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -113.7 | 21.6 | -178.4 | -58.2 | -44.9 | 0 | 0 | 0 | 112.9 | Q1193 L1196 S1197 D1201 V1202 A1235 D1238 F1239 D1242 | Q1193-Y1199 HydrophobicContact CB-CD2 4.4Å; Q1193-Y1199 HydrophobicContact CB-CE2 4.39Å; L1196-Y1199 HydrophobicContact CB-CD2 4.33Å; L1196-Y1199 HydrophobicContact CD1-CE2 4.43Å; L1196-Y1199 PolarHBondContact O-N 3.44Å; S1197-Y1199 PolarHBondContact O-N 2.99Å; Y1199-D1201 PolarHBondContact O-N 2.95Å; Y1199-V1202 HydrophobicContact CD1-CG2 4.41Å; Y1199-V1202 PolarHBondContact O-N 2.93Å; Y1199-A1235 HydrophobicContact CD1-CB 4.44Å; Y1199-A1235 WeakPolarHBondContact CD1-O 3.49Å; Y1199-A1235 VanDerWaalsContact CE1-O 3.23Å; Y1199-A1235 WeakPolarHBondContact CE1-O 3.22Å; Y1199-D1238 HydrophobicContact CE1-CB 4.28Å; Y1199-D1238 VanDerWaalsContact OH-C 3.3Å; Y1199-D1238 PolarHBondContact OH-O 3.13Å; Y1199-F1239 HydrophobicContact CD1-CB 3.83Å; Y1199-F1239 HydrophobicContact CD1-CD2 4.49Å; Y1199-F1239 AromaticContact CD2-CD2 3.88Å; Y1199-F1239 HydrophobicContact CD2-CD2 3.88Å; Y1199-F1239 HydrophobicContact CE1-CB 3.58Å; Y1199-F1239 HydrophobicContact CE2-CB 4.41Å; Y1199-F1239 AromaticContact CE2-CD2 3.9Å; Y1199-F1239 HydrophobicContact CE2-CD2 3.9Å; Y1199-F1239 HydrophobicContact CG-CB 4.36Å; Y1199-F1239 HydrophobicContact CG-CD2 4.19Å; Y1199-F1239 WeakPolarHBondContact OH-CA 3.5Å; Y1199-D1242 WeakPolarHBondContact OH-CB 3.39Å; Y1199-D1242 PolarHBondContact OH-OD2 3.14Å |
| 1200 | K | 92.2 | Very high | 91.9 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 33% | 0.33 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -22.2 | 177.7 | 73.7 | 178.5 | -167.4 | 70.7 | 0 | 115.1 | E1222 N1226 | K1200-E1222 PolarHBondContact NZ-O 3.48Å; K1200-E1222 IonicContact NZ-OE2 3.78Å; K1200-E1222 PolarHBondContact NZ-OE2 3.44Å; K1200-N1226 WeakPolarHBondContact CE-OD1 3.47Å; K1200-N1226 PolarHBondContact NZ-OD1 3.31Å |
| 1201 | D | 93.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 40.3 Ų | 40.3 | 5% | 0.053 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 2.4 | -178.2 | -57.6 | -58 | 0 | 0 | 0 | 112.8 | Y1199 S1216 G1217 E1222 N1226 H1232 | Y1199-D1201 PolarHBondContact O-N 2.95Å; D1201-S1216 WeakPolarHBondContact O-CA 3.21Å; D1201-S1216 WeakPolarHBondContact O-CB 3.48Å; D1201-G1217 PolarHBondContact O-N 3.01Å; D1201-E1222 WeakPolarHBondContact OD1-CB 3.22Å; D1201-N1226 PolarHBondContact OD2-ND2 3.45Å; D1201-N1226 PolarHBondContact OD2-OD1 2.82Å; D1201-H1232 HydrophobicContact CB-CB 3.64Å |
| 1202 | V | 95.7 | Very high | 91.9 | Very high | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.055 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 123.8 | 179.3 | 179.1 | 0 | 0 | 0 | 0 | 109.2 | L1194 Y1199 A1214 A1215 A1235 L1236 F1239 | L1194-V1202 HydrophobicContact CD2-CB 4.15Å; L1194-V1202 HydrophobicContact CD2-CG1 3.72Å; Y1199-V1202 HydrophobicContact CD1-CG2 4.41Å; Y1199-V1202 PolarHBondContact O-N 2.93Å; V1202-A1214 HydrophobicContact CG1-CB 4.25Å; V1202-A1215 WeakPolarHBondContact CA-O 3.31Å; V1202-A1235 HydrophobicContact CG2-CB 4.13Å; V1202-L1236 HydrophobicContact CB-CD1 4.43Å; V1202-L1236 HydrophobicContact CG1-CD1 3.63Å; V1202-L1236 HydrophobicContact CG2-CB 4.29Å; V1202-L1236 HydrophobicContact CG2-CD1 4.05Å; V1202-F1239 HydrophobicContact CG1-CD1 4.03Å; V1202-F1239 HydrophobicContact CG1-CE1 4.3Å; V1202-F1239 HydrophobicContact CG1-CG 4.33Å |
| 1203 | E | 93.8 | Very high | 92.1 | Very high | 38 Ų | 38 | 34 Ų | 34 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134 | 177.2 | -71.8 | -78 | 176.9 | 0 | 0 | 109.8 | R523 Y1137 A1214 A1215 | R523-E1203 IonicContact NH2-OE2 3.22Å; Y1137-E1203 HydrophobicContact CE1-CG 4.02Å; Y1137-E1203 WeakPolarHBondContact CE1-OE1 3.44Å; E1203-A1214 VanDerWaalsContact O-CA 3.32Å; E1203-A1214 WeakPolarHBondContact O-CA 3.27Å; E1203-A1214 WeakPolarHBondContact O-CB 3.31Å; E1203-A1215 PolarHBondContact N-O 3.43Å; E1203-A1215 PolarHBondContact O-N 3.35Å |
| 1204 | K | 93.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.4 | 163.8 | 177.3 | -177.8 | 173.3 | -170.5 | 0 | 107.7 | R522 R523 E1191 L1194 F1212 | R522-K1204 WeakPolarHBondContact O-CD 3.49Å; R522-K1204 PolarHBondContact O-NZ 3.05Å; R523-K1204 HydrophobicContact CB-CD 3.96Å; R523-K1204 HydrophobicContact CB-CG 4.22Å; R523-K1204 HydrophobicContact CG-CB 4.28Å; R523-K1204 HydrophobicContact CG-CD 4.38Å; R523-K1204 HydrophobicContact CG-CG 4.3Å; E1191-K1204 HydrophobicContact CG-CD 4.18Å; E1191-K1204 IonicContact OE1-NZ 3.23Å; E1191-K1204 PolarHBondContact OE1-NZ 2.85Å; L1194-K1204 HydrophobicContact CD1-CB 3.84Å; K1204-F1212 HydrophobicContact CB-CZ 4.18Å; K1204-F1212 HydrophobicContact CD-CE2 3.76Å; K1204-F1212 HydrophobicContact CD-CZ 3.81Å; K1204-F1212 HydrophobicContact CG-CE1 4.43Å; K1204-F1212 HydrophobicContact CG-CE2 4.22Å; K1204-F1212 HydrophobicContact CG-CZ 3.88Å |
| 1205 | I | 92.1 | Very high | 92.5 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -66.4 | 172.7 | -49.6 | -56.6 | 0 | 0 | 0 | 108.4 | M1213 A1215 L1218 Y1282 D1283 I1284 | I1205-M1213 HydrophobicContact CB-CE 4.29Å; I1205-M1213 HydrophobicContact CB-CG 4.18Å; I1205-M1213 HydrophobicContact CB-SD 4.19Å; I1205-M1213 HydrophobicContact CG1-CE 4.29Å; I1205-M1213 HydrophobicContact CG1-CG 4.42Å; I1205-M1213 HydrophobicContact CG2-CE 4.16Å; I1205-M1213 HydrophobicContact CG2-SD 4.23Å; I1205-M1213 PolarHBondContact N-O 3.11Å; I1205-A1215 HydrophobicContact CD1-CB 4.17Å; I1205-A1215 HydrophobicContact CG1-CB 4.19Å; I1205-L1218 HydrophobicContact CD1-CD1 3.67Å; I1205-Y1282 HydrophobicContact CD1-CE1 4.14Å; I1205-D1283 WeakPolarHBondContact CG2-OD1 3.34Å; I1205-I1284 HydrophobicContact CD1-CD1 4.24Å; I1205-I1284 HydrophobicContact CD1-CG2 4.44Å; I1205-I1284 HydrophobicContact CG1-CD1 4.08Å; I1205-I1284 HydrophobicContact CG1-CG1 4.33Å; I1205-I1284 HydrophobicContact CG2-CG1 4.43Å |
| 1206 | K | 89.4 | Confident | 92.9 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 8% | 0.078 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 168.9 | 179 | 52.3 | -172.2 | 162.9 | -167.1 | 0 | 112.5 | T459 I1208 M1213 D1283 | T459-K1206 PolarHBondContact O-NZ 3.15Å; K1206-I1208 HydrophobicContact CD-CD1 4.37Å; K1206-I1208 HydrophobicContact CD-CG1 4.34Å; K1206-I1208 HydrophobicContact CG-CD1 4.25Å; K1206-I1208 HydrophobicContact CG-CG1 4.09Å; K1206-M1213 HydrophobicContact CG-SD 4.21Å; K1206-M1213 PolarHBondContact N-O 3.32Å; K1206-M1213 WeakPolarHBondContact O-CB 3.47Å; K1206-M1213 PolarHBondContact O-N 3.47Å; K1206-D1283 VanDerWaalsContact CE-OD1 3.22Å; K1206-D1283 WeakPolarHBondContact CE-OD1 3.28Å; K1206-D1283 IonicContact NZ-OD1 3.75Å; K1206-D1283 PolarHBondContact NZ-OD1 3.35Å; K1206-D1283 IonicContact NZ-OD2 2.68Å; K1206-D1283 PolarHBondContact NZ-OD2 3.45Å |
| 1207 | T | 89.5 | Confident | 92.9 | Very high | 11 Ų | 11 | 24.9 Ų | 24.9 | 7% | 0.067 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 146 | 161.8 | 33.6 | 0 | 0 | 0 | 0 | 109.3 | F1187 C1211 F1212 | F1187-T1207 HydrophobicContact CD2-CG2 3.59Å; F1187-T1207 HydrophobicContact CE2-CG2 3.58Å; F1187-T1207 HydrophobicContact CG-CG2 4.15Å; F1187-T1207 HydrophobicContact CZ-CG2 4.13Å; T1207-C1211 CarbonylContact C-O 3.56Å; T1207-C1211 VanDerWaalsContact CA-O 3.31Å; T1207-C1211 WeakPolarHBondContact CA-O 3.18Å; T1207-F1212 HydrophobicContact CG2-CD2 3.86Å |
| 1208 | I | 87.9 | Confident | 93.1 | Very high | 51 Ų | 51 | 19.6 Ų | 19.6 | 26% | 0.262 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 95.9 | -177.2 | -52.8 | 174.3 | 0 | 0 | 0 | 107.2 | L460 F1159 K1206 S1210 C1211 | L460-I1208 HydrophobicContact CD1-CG2 4.42Å; L460-I1208 HydrophobicContact CD2-CD1 4.09Å; L460-I1208 HydrophobicContact CD2-CG1 3.97Å; L460-I1208 HydrophobicContact CD2-CG2 3.94Å; F1159-I1208 HydrophobicContact CE1-CD1 4.46Å; K1206-I1208 HydrophobicContact CD-CD1 4.37Å; K1206-I1208 HydrophobicContact CD-CG1 4.34Å; K1206-I1208 HydrophobicContact CG-CD1 4.25Å; K1206-I1208 HydrophobicContact CG-CG1 4.09Å; I1208-S1210 PolarHBondContact O-N 3.33Å; I1208-C1211 HydrophobicContact CB-CB 4.36Å; I1208-C1211 PolarHBondContact N-O 2.83Å; I1208-C1211 VanDerWaalsContact O-CB 3.29Å; I1208-C1211 WeakPolarHBondContact O-CB 3.44Å; I1208-C1211 PolarHBondContact O-N 3.14Å |
| 1209 | G | 86.2 | Confident | 93.1 | Very high | 33 Ų | 33 | 16.1 Ų | 16.1 | 34% | 0.34 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -125.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C1211 | G1209-C1211 VanDerWaalsContact C-N 3.29Å; G1209-C1211 PolarHBondContact O-N 2.86Å |
| 1210 | S | 89.8 | Confident | 92.8 | Very high | 30 Ų | 30 | 18.2 Ų | 18.2 | 21% | 0.21 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 6.9 | 175.2 | 69.8 | 0 | 0 | 0 | 0 | 114.9 | C1161 I1162 I1208 | C1161-S1210 VanDerWaalsContact CA-O 3.3Å; C1161-S1210 WeakPolarHBondContact CA-O 3.43Å; I1162-S1210 PolarHBondContact N-O 2.93Å; I1162-S1210 VanDerWaalsContact N-O 3.08Å; I1162-S1210 PolarHBondContact O-OG 3.07Å; I1162-S1210 VanDerWaalsContact O-OG 3.06Å; I1208-S1210 PolarHBondContact O-N 3.33Å |
| 1211 | C | 93.3 | Very high | 92.6 | Very high | 16 Ų | 16 | 17.8 Ų | 17.8 | 11% | 0.108 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.5 | 174.4 | -74.4 | 0 | 0 | 0 | 0 | 113.4 | C1161 T1207 I1208 G1209 | C1161-C1211 HydrophobicContact CB-CB 3.84Å; C1161-C1211 WeakPolarHBondContact CB-SG 3.31Å; C1161-C1211 WeakPolarHBondContact SG-CA 3.32Å; C1161-C1211 WeakPolarHBondContact SG-CB 3.42Å; C1161-C1211 CovalentContact SG-SG 2.03Å; C1161-C1211 PolarHBondContact SG-SG 3.03Å; T1207-C1211 CarbonylContact C-O 3.56Å; T1207-C1211 VanDerWaalsContact CA-O 3.31Å; T1207-C1211 WeakPolarHBondContact CA-O 3.18Å; I1208-C1211 HydrophobicContact CB-CB 4.36Å; I1208-C1211 PolarHBondContact N-O 2.83Å; I1208-C1211 VanDerWaalsContact O-CB 3.29Å; I1208-C1211 WeakPolarHBondContact O-CB 3.44Å; I1208-C1211 PolarHBondContact O-N 3.14Å; G1209-C1211 VanDerWaalsContact C-N 3.29Å; G1209-C1211 PolarHBondContact O-N 2.86Å |
| 1212 | F | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.3 | 166 | -166.9 | -88.8 | 0 | 0 | 0 | 109.8 | A1160 F1187 F1190 E1191 L1194 K1204 T1207 A1214 F1239 | A1160-F1212 PolarHBondContact N-O 3.44Å; A1160-F1212 WeakPolarHBondContact O-CB 3.28Å; A1160-F1212 PolarHBondContact O-N 3.38Å; F1187-F1212 HydrophobicContact CD1-CD2 4.18Å; F1187-F1212 HydrophobicContact CE1-CB 4.22Å; F1187-F1212 HydrophobicContact CG-CD2 4.46Å; F1190-F1212 HydrophobicContact CB-CE2 4.3Å; F1190-F1212 HydrophobicContact CD2-CB 4.4Å; F1190-F1212 HydrophobicContact CD2-CD2 4.29Å; F1190-F1212 HydrophobicContact CD2-CG 4.3Å; E1191-F1212 HydrophobicContact CG-CE2 3.9Å; E1191-F1212 HydrophobicContact CG-CZ 4.19Å; L1194-F1212 HydrophobicContact CD1-CZ 4.23Å; K1204-F1212 HydrophobicContact CB-CZ 4.18Å; K1204-F1212 HydrophobicContact CD-CE2 3.76Å; K1204-F1212 HydrophobicContact CD-CZ 3.81Å; K1204-F1212 HydrophobicContact CG-CE1 4.43Å; K1204-F1212 HydrophobicContact CG-CE2 4.22Å; K1204-F1212 HydrophobicContact CG-CZ 3.88Å; T1207-F1212 HydrophobicContact CG2-CD2 3.86Å; F1212-A1214 HydrophobicContact CD1-CB 4.46Å; F1212-A1214 HydrophobicContact CE1-CB 4.11Å; F1212-F1239 AromaticContact CE1-CE1 3.99Å; F1212-F1239 HydrophobicContact CE1-CE1 3.99Å; F1212-F1239 AromaticContact CE1-CZ 3.92Å; F1212-F1239 HydrophobicContact CE1-CZ 3.92Å; F1212-F1239 HydrophobicContact CZ-CZ 4.5Å |
| 1213 | M | 95.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.02 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.1 | -179.7 | -177.3 | -173.5 | 171.2 | 0 | 0 | 110.9 | V1157 F1159 I1205 K1206 I1284 V1289 | V1157-M1213 HydrophobicContact CG1-CE 4.49Å; F1159-M1213 HydrophobicContact CD1-CB 4.35Å; F1159-M1213 HydrophobicContact CD1-CG 4.36Å; F1159-M1213 HydrophobicContact CE1-CB 4.16Å; F1159-M1213 HydrophobicContact CE1-CG 3.9Å; F1159-M1213 HydrophobicContact CE1-SD 3.86Å; F1159-M1213 HydrophobicContact CE2-CE 4.48Å; F1159-M1213 HydrophobicContact CE2-CG 4.38Å; F1159-M1213 HydrophobicContact CZ-CE 4Å; F1159-M1213 HydrophobicContact CZ-CG 3.91Å; F1159-M1213 HydrophobicContact CZ-SD 3.68Å; I1205-M1213 HydrophobicContact CB-CE 4.29Å; I1205-M1213 HydrophobicContact CB-CG 4.18Å; I1205-M1213 HydrophobicContact CB-SD 4.19Å; I1205-M1213 HydrophobicContact CG1-CE 4.29Å; I1205-M1213 HydrophobicContact CG1-CG 4.42Å; I1205-M1213 HydrophobicContact CG2-CE 4.16Å; I1205-M1213 HydrophobicContact CG2-SD 4.23Å; I1205-M1213 PolarHBondContact N-O 3.11Å; K1206-M1213 HydrophobicContact CG-SD 4.21Å; K1206-M1213 PolarHBondContact N-O 3.32Å; K1206-M1213 WeakPolarHBondContact O-CB 3.47Å; K1206-M1213 PolarHBondContact O-N 3.47Å; M1213-I1284 HydrophobicContact CE-CD1 3.9Å; M1213-I1284 HydrophobicContact CE-CG1 3.62Å; M1213-V1289 HydrophobicContact CE-CG1 3.7Å |
| 1214 | A | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1158 V1202 E1203 F1212 L1236 F1239 | V1158-A1214 HydrophobicContact CG1-CB 3.97Å; V1158-A1214 PolarHBondContact N-O 3.37Å; V1158-A1214 PolarHBondContact O-N 2.93Å; V1158-A1214 VanDerWaalsContact O-N 3.1Å; V1202-A1214 HydrophobicContact CG1-CB 4.25Å; E1203-A1214 VanDerWaalsContact O-CA 3.32Å; E1203-A1214 WeakPolarHBondContact O-CA 3.27Å; E1203-A1214 WeakPolarHBondContact O-CB 3.31Å; F1212-A1214 HydrophobicContact CD1-CB 4.46Å; F1212-A1214 HydrophobicContact CE1-CB 4.11Å; A1214-L1236 HydrophobicContact CB-CD1 4.32Å; A1214-F1239 HydrophobicContact CB-CE1 4.11Å |
| 1215 | A | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 166 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1156 V1157 V1202 E1203 I1205 L1218 I1284 | G1156-A1215 CarbonylContact O-C 3.56Å; G1156-A1215 WeakPolarHBondContact O-CA 3.38Å; G1156-A1215 VanDerWaalsContact O-CB 3.26Å; G1156-A1215 WeakPolarHBondContact O-CB 3.38Å; V1157-A1215 HydrophobicContact CG2-CB 4.28Å; V1202-A1215 WeakPolarHBondContact CA-O 3.31Å; E1203-A1215 PolarHBondContact N-O 3.43Å; E1203-A1215 PolarHBondContact O-N 3.35Å; I1205-A1215 HydrophobicContact CD1-CB 4.17Å; I1205-A1215 HydrophobicContact CG1-CB 4.19Å; A1215-L1218 HydrophobicContact CB-CD1 3.89Å; A1215-L1218 HydrophobicContact CB-CG 4.37Å; A1215-I1284 HydrophobicContact CB-CD1 3.63Å |
| 1216 | S | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.3 | -179.9 | 78.3 | 0 | 0 | 0 | 0 | 114 | A1155 G1156 D1201 L1218 H1232 | A1155-S1216 WeakPolarHBondContact CA-O 3.48Å; A1155-S1216 WeakPolarHBondContact CB-O 3.47Å; G1156-S1216 PolarHBondContact N-O 3.16Å; G1156-S1216 PolarHBondContact O-N 3.4Å; D1201-S1216 WeakPolarHBondContact O-CA 3.21Å; D1201-S1216 WeakPolarHBondContact O-CB 3.48Å; S1216-L1218 VanDerWaalsContact C-N 3.33Å; S1216-H1232 VanDerWaalsContact CB-O 3.27Å; S1216-H1232 WeakPolarHBondContact CB-O 3.36Å; S1216-H1232 PolarHBondContact O-ND1 3.39Å; S1216-H1232 VanDerWaalsContact OG-C 3.26Å; S1216-H1232 PolarHBondContact OG-ND1 3.24Å; S1216-H1232 VanDerWaalsContact OG-ND1 3.09Å; S1216-H1232 PolarHBondContact OG-O 3.04Å |
| 1217 | G | 94.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 88.1 | -2.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1201 H1232 | D1201-G1217 PolarHBondContact O-N 3.01Å; G1217-H1232 WeakPolarHBondContact CA-ND1 3.47Å; G1217-H1232 PolarHBondContact N-ND1 3.41Å |
| 1218 | L | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | trans | -66.9 | -39.4 | -179 | -54.4 | 179.1 | 0 | 0 | 0 | 112.8 | Y1137 I1152 A1155 I1205 A1215 S1216 M1220 V1270 I1284 | Y1137-L1218 WeakPolarHBondContact CE2-O 3.33Å; Y1137-L1218 VanDerWaalsContact OH-CB 3.25Å; Y1137-L1218 WeakPolarHBondContact OH-CB 3.33Å; I1152-L1218 HydrophobicContact CD1-CB 4.44Å; I1152-L1218 HydrophobicContact CD1-CD2 3.76Å; A1155-L1218 HydrophobicContact CB-CD2 4.25Å; I1205-L1218 HydrophobicContact CD1-CD1 3.67Å; A1215-L1218 HydrophobicContact CB-CD1 3.89Å; A1215-L1218 HydrophobicContact CB-CG 4.37Å; S1216-L1218 VanDerWaalsContact C-N 3.33Å; L1218-M1220 VanDerWaalsContact C-N 3.35Å; L1218-M1220 PolarHBondContact O-N 3.47Å; L1218-V1270 HydrophobicContact CD2-CG2 3.87Å; L1218-I1284 HydrophobicContact CD1-CG2 4.09Å; L1218-I1284 HydrophobicContact CD2-CG2 4.25Å | ||
| 1219 | N | 92.5 | Very high | 92 | Very high | 23 Ų | 23 | 51.1 Ų | 51.1 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | trans | -76.4 | 84.1 | 174.9 | -174.3 | -21.2 | 0 | 0 | 0 | 110.4 | Y1137 T1221 E1222 R1223 | Y1137-N1219 HydrophobicContact CD1-CB 3.72Å; Y1137-N1219 HydrophobicContact CD2-CB 4.21Å; Y1137-N1219 HydrophobicContact CE1-CB 3.82Å; Y1137-N1219 HydrophobicContact CE2-CB 4.29Å; Y1137-N1219 HydrophobicContact CG-CB 3.95Å; N1219-T1221 PolarHBondContact O-N 2.89Å; N1219-T1221 VanDerWaalsContact O-N 3.07Å; N1219-T1221 WeakPolarHBondContact OD1-CB 3.49Å; N1219-T1221 PolarHBondContact OD1-N 3.44Å; N1219-T1221 PolarHBondContact OD1-OG1 3.09Å; N1219-E1222 HydrophobicContact CB-CB 4.28Å; N1219-E1222 PolarHBondContact O-N 3.34Å; N1219-E1222 PolarHBondContact OD1-N 2.95Å; N1219-R1223 PolarHBondContact O-N 2.74Å | ||
| 1220 | M | 89.6 | Confident | 92.4 | Very high | 48 Ų | 48 | 50.2 Ų | 50.2 | 24% | 0.236 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -17.4 | -178.9 | -70 | -64.4 | -131.1 | 0 | 0 | 114.4 | I1152 L1218 K1224 | I1152-M1220 HydrophobicContact CG2-CE 4.34Å; L1218-M1220 VanDerWaalsContact C-N 3.35Å; L1218-M1220 PolarHBondContact O-N 3.47Å; M1220-K1224 VanDerWaalsContact O-CG 3.27Å; M1220-K1224 WeakPolarHBondContact O-CG 3.2Å; M1220-K1224 PolarHBondContact O-N 3.37Å |
| 1221 | T | 88.7 | Confident | 92.6 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.3 | -40.8 | 172.2 | 9.6 | 0 | 0 | 0 | 0 | 112.9 | N1219 | N1219-T1221 PolarHBondContact O-N 2.89Å; N1219-T1221 VanDerWaalsContact O-N 3.07Å; N1219-T1221 WeakPolarHBondContact OD1-CB 3.49Å; N1219-T1221 PolarHBondContact OD1-N 3.44Å; N1219-T1221 PolarHBondContact OD1-OG1 3.09Å |
| 1222 | E | 88.9 | Confident | 92.7 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.5 | -38.3 | 174.7 | -81.4 | -58.2 | 139.6 | 0 | 0 | 112.3 | K1200 D1201 N1219 K1224 R1225 N1226 | K1200-E1222 PolarHBondContact NZ-O 3.48Å; K1200-E1222 IonicContact NZ-OE2 3.78Å; K1200-E1222 PolarHBondContact NZ-OE2 3.44Å; D1201-E1222 WeakPolarHBondContact OD1-CB 3.22Å; N1219-E1222 HydrophobicContact CB-CB 4.28Å; N1219-E1222 PolarHBondContact O-N 3.34Å; N1219-E1222 PolarHBondContact OD1-N 2.95Å; E1222-K1224 PolarHBondContact O-N 3.03Å; E1222-R1225 WeakPolarHBondContact O-CA 3.43Å; E1222-R1225 WeakPolarHBondContact O-CB 3.34Å; E1222-R1225 PolarHBondContact O-N 3.24Å; E1222-R1225 WeakPolarHBondContact OE1-CD 3.33Å; E1222-R1225 IonicContact OE1-CZ 2.72Å; E1222-R1225 IonicContact OE1-NE 3.23Å; E1222-R1225 IonicContact OE1-NH1 3.6Å; E1222-R1225 PolarHBondContact OE1-NH1 3.21Å; E1222-N1226 PolarHBondContact O-OD1 3.1Å |
| 1223 | R | 89.9 | Confident | 92.8 | Very high | 45 Ų | 45 | 50.6 Ų | 50.6 | 17% | 0.17 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.8 | -37.3 | 174.9 | -168.5 | 179.8 | -177.1 | 176.6 | 4.3 | 112.3 | D1154 N1219 R1225 N1226 H1232 | D1154-R1223 PolarHBondContact O-NH1 2.88Å; D1154-R1223 PolarHBondContact O-NH2 3.35Å; D1154-R1223 IonicContact OD2-CZ 2.67Å; D1154-R1223 IonicContact OD2-NH2 2.73Å; D1154-R1223 PolarHBondContact OD2-NH2 3.49Å; N1219-R1223 PolarHBondContact O-N 2.74Å; R1223-R1225 PolarHBondContact O-N 3.37Å; R1223-N1226 WeakPolarHBondContact O-CB 3.24Å; R1223-N1226 PolarHBondContact O-N 3.33Å; R1223-H1232 PolarHBondContact NE-NE2 3.07Å; R1223-H1232 VanDerWaalsContact NE-NE2 3.12Å; R1223-H1232 PolarHBondContact NH2-NE2 2.71Å |
| 1224 | K | 89.9 | Confident | 92.8 | Very high | 179 Ų | 179 | 51.6 Ų | 51.6 | 78% | 0.778 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -7.6 | 175.4 | -76.9 | 178.4 | -179.5 | -172.4 | 0 | 114.9 | M1220 E1222 | M1220-K1224 VanDerWaalsContact O-CG 3.27Å; M1220-K1224 WeakPolarHBondContact O-CG 3.2Å; M1220-K1224 PolarHBondContact O-N 3.37Å; E1222-K1224 PolarHBondContact O-N 3.03Å |
| 1225 | R | 91.4 | Very high | 92.8 | Very high | 140 Ų | 140 | 52 Ų | 52 | 53% | 0.528 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -7.6 | 175 | -62.7 | 171.6 | 173.6 | -172.1 | -5.4 | 112.7 | T743 E1222 R1223 | T743-R1225 PolarHBondContact OG1-NH2 3.27Å; E1222-R1225 WeakPolarHBondContact O-CA 3.43Å; E1222-R1225 WeakPolarHBondContact O-CB 3.34Å; E1222-R1225 PolarHBondContact O-N 3.24Å; E1222-R1225 WeakPolarHBondContact OE1-CD 3.33Å; E1222-R1225 IonicContact OE1-CZ 2.72Å; E1222-R1225 IonicContact OE1-NE 3.23Å; E1222-R1225 IonicContact OE1-NH1 3.6Å; E1222-R1225 PolarHBondContact OE1-NH1 3.21Å; R1223-R1225 PolarHBondContact O-N 3.37Å |
| 1226 | N | 91.6 | Very high | 92.8 | Very high | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 24% | 0.239 | C | C | . | . | trans | -79.5 | 151.5 | -179.3 | -70.2 | 4.2 | 0 | 0 | 0 | 111.3 | K1200 D1201 E1222 R1223 E1231 | K1200-N1226 WeakPolarHBondContact CE-OD1 3.47Å; K1200-N1226 PolarHBondContact NZ-OD1 3.31Å; D1201-N1226 PolarHBondContact OD2-ND2 3.45Å; D1201-N1226 PolarHBondContact OD2-OD1 2.82Å; E1222-N1226 PolarHBondContact O-OD1 3.1Å; R1223-N1226 WeakPolarHBondContact O-CB 3.24Å; R1223-N1226 PolarHBondContact O-N 3.33Å; N1226-E1231 WeakPolarHBondContact CA-OE2 3.34Å; N1226-E1231 HydrophobicContact CB-CB 4.17Å; N1226-E1231 VanDerWaalsContact CB-OE2 3.28Å; N1226-E1231 WeakPolarHBondContact CB-OE2 3.28Å | ||
| 1227 | K | 90.6 | Very high | 92.8 | Very high | 193 Ų | 193 | 52 Ų | 52 | 84% | 0.839 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -82.4 | -25 | -177.4 | -66.5 | 179.5 | 179.4 | 176.9 | 0 | 112.8 | E1231 | K1227-E1231 PolarHBondContact N-OE2 3.12Š|
| 1228 | R | 90.5 | Very high | 92.9 | Very high | 151 Ų | 151 | 52.9 Ų | 52.9 | 57% | 0.57 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -135.6 | 143.6 | 178.7 | -58 | 178.7 | 70 | 173.2 | 0.6 | 108.4 | D1230 E1231 W1234 | R1228-D1230 PolarHBondContact O-N 3.32Å; R1228-D1230 VanDerWaalsContact O-N 3.1Å; R1228-E1231 HydrophobicContact CB-CG 4.25Å; R1228-E1231 PolarHBondContact N-OE2 3Å; R1228-E1231 PolarHBondContact O-N 2.83Å; R1228-W1234 HydrophobicContact CB-CH2 4.41Å |
| 1229 | S | 89.8 | Confident | 93 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -41.9 | 177.1 | 44.3 | 0 | 0 | 0 | 0 | 112.6 | E1231 H1232 | S1229-E1231 PolarHBondContact O-N 3.36Å; S1229-H1232 PolarHBondContact O-CD2 3.43Å; S1229-H1232 PolarHBondContact O-NE2 3.28Å |
| 1230 | D | 93.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -2.8 | -166.4 | -47.9 | -9.5 | 0 | 0 | 0 | 113.5 | R1228 H1232 L1233 W1234 R1313 | R1228-D1230 PolarHBondContact O-N 3.32Å; R1228-D1230 VanDerWaalsContact O-N 3.1Å; D1230-H1232 PolarHBondContact O-N 3.41Å; D1230-L1233 HydrophobicContact CB-CD1 4.23Å; D1230-L1233 WeakPolarHBondContact O-CA 3.09Å; D1230-L1233 WeakPolarHBondContact O-CB 3.49Å; D1230-L1233 PolarHBondContact O-N 3.06Å; D1230-W1234 HydrophobicContact CB-CD2 4.45Å; D1230-W1234 HydrophobicContact CB-CZ2 3.81Å; D1230-W1234 PolarHBondContact O-N 2.94Å; D1230-R1313 IonicContact OD1-CZ 3.93Å; D1230-R1313 IonicContact OD1-NH1 3.86Å; D1230-R1313 PolarHBondContact OD1-NH1 2.97Å; D1230-R1313 IonicContact OD1-NH2 3.22Å; D1230-R1313 PolarHBondContact OD1-NH2 3.41Å; D1230-R1313 IonicContact OD2-CZ 3.83Å; D1230-R1313 IonicContact OD2-NH1 2.68Å; D1230-R1313 PolarHBondContact OD2-NH1 2.78Å; D1230-R1313 IonicContact OD2-NH2 3.59Å |
| 1231 | E | 94.1 | Very high | 93.5 | Very high | 56 Ų | 56 | 50.8 Ų | 50.8 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.9 | -31.2 | -174.8 | -85 | 176.4 | 158.6 | 0 | 0 | 112.8 | N1226 K1227 R1228 S1229 W1234 A1235 | N1226-E1231 WeakPolarHBondContact CA-OE2 3.34Å; N1226-E1231 HydrophobicContact CB-CB 4.17Å; N1226-E1231 VanDerWaalsContact CB-OE2 3.28Å; N1226-E1231 WeakPolarHBondContact CB-OE2 3.28Å; K1227-E1231 PolarHBondContact N-OE2 3.12Å; R1228-E1231 HydrophobicContact CB-CG 4.25Å; R1228-E1231 PolarHBondContact N-OE2 3Å; R1228-E1231 PolarHBondContact O-N 2.83Å; S1229-E1231 PolarHBondContact O-N 3.36Å; E1231-W1234 HydrophobicContact CB-CE3 4.46Å; E1231-W1234 HydrophobicContact CG-CE3 3.81Å; E1231-W1234 HydrophobicContact CG-CZ3 3.73Å; E1231-A1235 WeakPolarHBondContact O-CB 3.31Å; E1231-A1235 PolarHBondContact O-N 3.34Å |
| 1232 | H | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -74.1 | -30.8 | 174.2 | 70.2 | 91.8 | 0 | 0 | 0 | 113.1 | D1201 S1216 G1217 R1223 S1229 D1230 A1235 L1236 | D1201-H1232 HydrophobicContact CB-CB 3.64Å; S1216-H1232 VanDerWaalsContact CB-O 3.27Å; S1216-H1232 WeakPolarHBondContact CB-O 3.36Å; S1216-H1232 PolarHBondContact O-ND1 3.39Å; S1216-H1232 VanDerWaalsContact OG-C 3.26Å; S1216-H1232 PolarHBondContact OG-ND1 3.24Å; S1216-H1232 VanDerWaalsContact OG-ND1 3.09Å; S1216-H1232 PolarHBondContact OG-O 3.04Å; G1217-H1232 WeakPolarHBondContact CA-ND1 3.47Å; G1217-H1232 PolarHBondContact N-ND1 3.41Å; R1223-H1232 PolarHBondContact NE-NE2 3.07Å; R1223-H1232 VanDerWaalsContact NE-NE2 3.12Å; R1223-H1232 PolarHBondContact NH2-NE2 2.71Å; S1229-H1232 PolarHBondContact O-CD2 3.43Å; S1229-H1232 PolarHBondContact O-NE2 3.28Å; D1230-H1232 PolarHBondContact O-N 3.41Å; H1232-A1235 PolarHBondContact O-N 2.84Å; H1232-L1236 PolarHBondContact O-N 3.35Å |
| 1233 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 175.7 | -56.4 | 174 | 0 | 0 | 0 | 109.5 | D1230 L1236 L1237 Y1265 I1267 L1314 | D1230-L1233 HydrophobicContact CB-CD1 4.23Å; D1230-L1233 WeakPolarHBondContact O-CA 3.09Å; D1230-L1233 WeakPolarHBondContact O-CB 3.49Å; D1230-L1233 PolarHBondContact O-N 3.06Å; L1233-L1236 PolarHBondContact O-N 3.43Å; L1233-L1237 PolarHBondContact O-N 2.97Å; L1233-Y1265 PolarHBondContact O-OH 3.14Å; L1233-I1267 HydrophobicContact CD1-CD1 4.14Å; L1233-I1267 HydrophobicContact CD1-CG2 4.34Å; L1233-I1267 HydrophobicContact CD2-CD1 4.25Å; L1233-I1267 HydrophobicContact CD2-CG1 4.07Å; L1233-I1267 HydrophobicContact CD2-CG2 3.99Å; L1233-L1314 HydrophobicContact CB-CD2 4.3Å |
| 1234 | W | 95.3 | Very high | 94.4 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -44.7 | 173.2 | -54.3 | -18 | 0 | 0 | 0 | 111.7 | R1228 D1230 E1231 L1236 L1237 D1238 Y1318 | R1228-W1234 HydrophobicContact CB-CH2 4.41Å; D1230-W1234 HydrophobicContact CB-CD2 4.45Å; D1230-W1234 HydrophobicContact CB-CZ2 3.81Å; D1230-W1234 PolarHBondContact O-N 2.94Å; E1231-W1234 HydrophobicContact CB-CE3 4.46Å; E1231-W1234 HydrophobicContact CG-CE3 3.81Å; E1231-W1234 HydrophobicContact CG-CZ3 3.73Å; W1234-L1236 VanDerWaalsContact C-N 3.26Å; W1234-L1236 PolarHBondContact O-N 2.93Å; W1234-L1237 PolarHBondContact O-N 3.48Å; W1234-D1238 VanDerWaalsContact O-CB 3.23Å; W1234-D1238 WeakPolarHBondContact O-CB 3.21Å; W1234-D1238 PolarHBondContact O-N 3.13Å; W1234-Y1318 AromaticContact CD1-CE2 3.92Å; W1234-Y1318 HydrophobicContact CG-CE2 4.35Å; W1234-Y1318 PolarHBondContact O-OH 3.07Å |
| 1235 | A | 96.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1199 V1202 E1231 H1232 F1239 | Y1199-A1235 HydrophobicContact CD1-CB 4.44Å; Y1199-A1235 WeakPolarHBondContact CD1-O 3.49Å; Y1199-A1235 VanDerWaalsContact CE1-O 3.23Å; Y1199-A1235 WeakPolarHBondContact CE1-O 3.22Å; V1202-A1235 HydrophobicContact CG2-CB 4.13Å; E1231-A1235 WeakPolarHBondContact O-CB 3.31Å; E1231-A1235 PolarHBondContact O-N 3.34Å; H1232-A1235 PolarHBondContact O-N 2.84Å; A1235-F1239 VanDerWaalsContact O-CB 3.24Å; A1235-F1239 WeakPolarHBondContact O-CB 3.29Å; A1235-F1239 PolarHBondContact O-N 3.24Å |
| 1236 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.6 | -38.7 | 177.2 | -168.4 | 68.8 | 0 | 0 | 0 | 113.1 | G1156 V1158 V1202 A1214 H1232 L1233 W1234 F1239 A1240 Y1265 | G1156-L1236 VanDerWaalsContact O-CD2 3.29Å; G1156-L1236 WeakPolarHBondContact O-CD2 3.5Å; V1158-L1236 HydrophobicContact CB-CD2 4.36Å; V1158-L1236 HydrophobicContact CB-CG 4.35Å; V1158-L1236 HydrophobicContact CG1-CD1 3.78Å; V1158-L1236 HydrophobicContact CG1-CD2 4.41Å; V1158-L1236 HydrophobicContact CG1-CG 4.09Å; V1202-L1236 HydrophobicContact CB-CD1 4.43Å; V1202-L1236 HydrophobicContact CG1-CD1 3.63Å; V1202-L1236 HydrophobicContact CG2-CB 4.29Å; V1202-L1236 HydrophobicContact CG2-CD1 4.05Å; A1214-L1236 HydrophobicContact CB-CD1 4.32Å; H1232-L1236 PolarHBondContact O-N 3.35Å; L1233-L1236 PolarHBondContact O-N 3.43Å; W1234-L1236 VanDerWaalsContact C-N 3.26Å; W1234-L1236 PolarHBondContact O-N 2.93Å; L1236-F1239 HydrophobicContact CD1-CD1 4.5Å; L1236-F1239 WeakPolarHBondContact O-CB 3.44Å; L1236-F1239 PolarHBondContact O-N 3.03Å; L1236-A1240 WeakPolarHBondContact O-CB 3.47Å; L1236-A1240 PolarHBondContact O-N 3.4Å; L1236-Y1265 HydrophobicContact CB-CE2 3.95Å; L1236-Y1265 HydrophobicContact CD2-CD2 4.24Å; L1236-Y1265 HydrophobicContact CD2-CE2 3.73Å; L1236-Y1265 HydrophobicContact CG-CD2 4.35Å; L1236-Y1265 HydrophobicContact CG-CE2 3.81Å |
| 1237 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -74.7 | -34.5 | 177.6 | -166.5 | 62.7 | 0 | 0 | 0 | 111.7 | L1233 W1234 F1239 A1240 L1241 Y1265 I1304 L1314 Y1318 F1320 L1339 | L1233-L1237 PolarHBondContact O-N 2.97Å; W1234-L1237 PolarHBondContact O-N 3.48Å; L1237-F1239 VanDerWaalsContact C-N 3.33Å; L1237-A1240 PolarHBondContact O-N 2.87Å; L1237-L1241 PolarHBondContact O-N 3.12Å; L1237-Y1265 HydrophobicContact CB-CE2 3.85Å; L1237-Y1265 HydrophobicContact CD1-CD1 4.49Å; L1237-Y1265 HydrophobicContact CD1-CD2 3.86Å; L1237-Y1265 HydrophobicContact CD1-CE2 3.99Å; L1237-Y1265 HydrophobicContact CD1-CG 4.12Å; L1237-I1304 HydrophobicContact CD1-CD1 4.24Å; L1237-I1304 HydrophobicContact CD1-CG2 4.05Å; L1237-L1314 HydrophobicContact CD2-CD1 3.72Å; L1237-Y1318 HydrophobicContact CD2-CD1 3.88Å; L1237-Y1318 HydrophobicContact CD2-CD2 3.87Å; L1237-Y1318 HydrophobicContact CD2-CE1 3.96Å; L1237-Y1318 HydrophobicContact CD2-CE2 3.96Å; L1237-Y1318 HydrophobicContact CD2-CG 3.84Å; L1237-Y1318 HydrophobicContact CG-CE1 4.27Å; L1237-F1320 HydrophobicContact CD2-CZ 4.22Å; L1237-L1339 HydrophobicContact CD1-CD2 4.14Å; L1237-L1339 HydrophobicContact CD2-CD1 4.45Å; L1237-L1339 HydrophobicContact CD2-CD2 4.32Å; L1237-L1339 HydrophobicContact CG-CD2 4.15Å |
| 1238 | D | 96.2 | Very high | 95.2 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.4 | -28.5 | 170.3 | -76.6 | -19.8 | 0 | 0 | 0 | 111.8 | Y1199 W1234 D1242 R1317 Y1318 R1342 | Y1199-D1238 HydrophobicContact CE1-CB 4.28Å; Y1199-D1238 VanDerWaalsContact OH-C 3.3Å; Y1199-D1238 PolarHBondContact OH-O 3.13Å; W1234-D1238 VanDerWaalsContact O-CB 3.23Å; W1234-D1238 WeakPolarHBondContact O-CB 3.21Å; W1234-D1238 PolarHBondContact O-N 3.13Å; D1238-D1242 PolarHBondContact O-N 3.15Å; D1238-R1317 IonicContact OD2-CZ 2.73Å; D1238-R1317 IonicContact OD2-NE 2.71Å; D1238-R1317 IonicContact OD2-NH2 3.89Å; D1238-R1317 PolarHBondContact OD2-NH2 3.26Å; D1238-Y1318 WeakPolarHBondContact OD1-CE1 3.08Å; D1238-Y1318 PolarHBondContact OD1-OH 3.28Å; D1238-Y1318 PolarHBondContact OD2-OH 3.17Å; D1238-R1342 PolarHBondContact O-NH2 3.44Å; D1238-R1342 IonicContact OD1-CZ 2.96Å; D1238-R1342 IonicContact OD1-NE 3.49Å; D1238-R1342 PolarHBondContact OD1-NE 3.11Å; D1238-R1342 IonicContact OD1-NH2 3.95Å; D1238-R1342 PolarHBondContact OD1-NH2 3.34Å; D1238-R1342 VanDerWaalsContact OD1-NH2 3.09Å |
| 1239 | F | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.4 | -47.5 | 168.9 | 176.1 | -111.1 | 0 | 0 | 0 | 110.6 | Q1193 L1194 Y1199 V1202 F1212 A1214 A1235 L1236 L1237 L1241 D1242 L1243 | Q1193-F1239 HydrophobicContact CB-CD2 4.42Å; Q1193-F1239 HydrophobicContact CB-CE2 4.01Å; L1194-F1239 HydrophobicContact CD1-CZ 4.45Å; L1194-F1239 HydrophobicContact CD2-CD2 4.13Å; L1194-F1239 HydrophobicContact CD2-CE1 4.31Å; L1194-F1239 HydrophobicContact CD2-CE2 3.55Å; L1194-F1239 HydrophobicContact CD2-CZ 3.66Å; L1194-F1239 HydrophobicContact CG-CE2 3.97Å; L1194-F1239 HydrophobicContact CG-CZ 4.02Å; Y1199-F1239 HydrophobicContact CD1-CB 3.83Å; Y1199-F1239 HydrophobicContact CD1-CD2 4.49Å; Y1199-F1239 AromaticContact CD2-CD2 3.88Å; Y1199-F1239 HydrophobicContact CD2-CD2 3.88Å; Y1199-F1239 HydrophobicContact CE1-CB 3.58Å; Y1199-F1239 HydrophobicContact CE2-CB 4.41Å; Y1199-F1239 AromaticContact CE2-CD2 3.9Å; Y1199-F1239 HydrophobicContact CE2-CD2 3.9Å; Y1199-F1239 HydrophobicContact CG-CB 4.36Å; Y1199-F1239 HydrophobicContact CG-CD2 4.19Å; Y1199-F1239 WeakPolarHBondContact OH-CA 3.5Å; V1202-F1239 HydrophobicContact CG1-CD1 4.03Å; V1202-F1239 HydrophobicContact CG1-CE1 4.3Å; V1202-F1239 HydrophobicContact CG1-CG 4.33Å; F1212-F1239 AromaticContact CE1-CE1 3.99Å; F1212-F1239 HydrophobicContact CE1-CE1 3.99Å; F1212-F1239 AromaticContact CE1-CZ 3.92Å; F1212-F1239 HydrophobicContact CE1-CZ 3.92Å; F1212-F1239 HydrophobicContact CZ-CZ 4.5Å; A1214-F1239 HydrophobicContact CB-CE1 4.11Å; A1235-F1239 VanDerWaalsContact O-CB 3.24Å; A1235-F1239 WeakPolarHBondContact O-CB 3.29Å; A1235-F1239 PolarHBondContact O-N 3.24Å; L1236-F1239 HydrophobicContact CD1-CD1 4.5Å; L1236-F1239 WeakPolarHBondContact O-CB 3.44Å; L1236-F1239 PolarHBondContact O-N 3.03Å; L1237-F1239 VanDerWaalsContact C-N 3.33Å; F1239-L1241 VanDerWaalsContact C-N 3.29Å; F1239-L1241 PolarHBondContact O-N 3.38Å; F1239-D1242 CarbonylContact O-C 3.58Å; F1239-D1242 PolarHBondContact O-N 3.04Å; F1239-D1242 VanDerWaalsContact O-N 3.08Å; F1239-L1243 HydrophobicContact CD1-CD1 4.16Å; F1239-L1243 HydrophobicContact CD1-CG 4.3Å; F1239-L1243 HydrophobicContact CE1-CD1 3.75Å; F1239-L1243 HydrophobicContact CE1-CD2 4.15Å; F1239-L1243 HydrophobicContact CE1-CG 4.06Å; F1239-L1243 HydrophobicContact CE2-CD2 3.93Å; F1239-L1243 HydrophobicContact CE2-CG 4.39Å; F1239-L1243 HydrophobicContact CZ-CD1 4.17Å; F1239-L1243 HydrophobicContact CZ-CD2 3.7Å; F1239-L1243 HydrophobicContact CZ-CG 4.11Å; F1239-L1243 WeakPolarHBondContact O-CG 3.19Å; F1239-L1243 PolarHBondContact O-N 3.34Å |
| 1240 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.3 | -34.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V1158 L1236 L1237 V1263 I1304 | V1158-A1240 HydrophobicContact CG2-CB 4.12Å; L1236-A1240 WeakPolarHBondContact O-CB 3.47Å; L1236-A1240 PolarHBondContact O-N 3.4Å; L1237-A1240 PolarHBondContact O-N 2.87Å; A1240-V1263 HydrophobicContact CB-CG1 4.24Å; A1240-I1304 HydrophobicContact CB-CD1 3.69Å |
| 1241 | L | 95.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 24.5 Ų | 24.5 | 15% | 0.147 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -49.5 | 170.5 | -79.9 | 170.7 | 0 | 0 | 0 | 112 | L1237 F1239 L1243 I1244 H1245 I1304 Y1318 L1339 R1342 | L1237-L1241 PolarHBondContact O-N 3.12Å; F1239-L1241 VanDerWaalsContact C-N 3.29Å; F1239-L1241 PolarHBondContact O-N 3.38Å; L1241-L1243 PolarHBondContact O-N 3.41Å; L1241-I1244 WeakPolarHBondContact O-CB 3.45Å; L1241-I1244 PolarHBondContact O-N 3.31Å; L1241-I1244 VanDerWaalsContact O-N 3.11Å; L1241-H1245 PolarHBondContact O-N 3.13Å; L1241-I1304 HydrophobicContact CD2-CD1 4.14Å; L1241-I1304 HydrophobicContact CG-CD1 4.12Å; L1241-Y1318 HydrophobicContact CD1-CE1 4.43Å; L1241-L1339 HydrophobicContact CD1-CD2 4.05Å; L1241-L1339 HydrophobicContact CD2-CD2 3.74Å; L1241-L1339 HydrophobicContact CG-CD2 3.89Å; L1241-R1342 HydrophobicContact CD1-CG 4.02Å |
| 1242 | D | 95.7 | Very high | 95.2 | Very high | 28 Ų | 28 | 31 Ų | 31 | 15% | 0.15 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.4 | -20.8 | -178.6 | -73.8 | 43.5 | 0 | 0 | 0 | 112.4 | Q1193 K1198 Y1199 D1238 F1239 T1246 R1342 | Q1193-D1242 PolarHBondContact NE2-O 3.47Å; K1198-D1242 IonicContact NZ-OD2 2.67Å; K1198-D1242 PolarHBondContact NZ-OD2 2.77Å; Y1199-D1242 WeakPolarHBondContact OH-CB 3.39Å; Y1199-D1242 PolarHBondContact OH-OD2 3.14Å; D1238-D1242 PolarHBondContact O-N 3.15Å; F1239-D1242 CarbonylContact O-C 3.58Å; F1239-D1242 PolarHBondContact O-N 3.04Å; F1239-D1242 VanDerWaalsContact O-N 3.08Å; D1242-T1246 PolarHBondContact O-N 3.04Å; D1242-T1246 PolarHBondContact O-OG1 2.91Å; D1242-R1342 IonicContact OD1-CZ 3.61Å; D1242-R1342 IonicContact OD1-NH1 2.79Å; D1242-R1342 IonicContact OD1-NH2 3.75Å; D1242-R1342 PolarHBondContact OD1-NH2 3.15Å |
| 1243 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 167.7 | -71.4 | -173.5 | 0 | 0 | 0 | 112.6 | A1160 F1190 F1239 L1241 T1246 L1247 L1261 | A1160-L1243 HydrophobicContact CB-CD1 3.79Å; F1190-L1243 HydrophobicContact CB-CD2 3.68Å; F1190-L1243 HydrophobicContact CD1-CD2 3.68Å; F1190-L1243 HydrophobicContact CD2-CD2 3.96Å; F1190-L1243 HydrophobicContact CE1-CD2 4.26Å; F1190-L1243 HydrophobicContact CG-CD2 3.51Å; F1239-L1243 HydrophobicContact CD1-CD1 4.16Å; F1239-L1243 HydrophobicContact CD1-CG 4.3Å; F1239-L1243 HydrophobicContact CE1-CD1 3.75Å; F1239-L1243 HydrophobicContact CE1-CD2 4.15Å; F1239-L1243 HydrophobicContact CE1-CG 4.06Å; F1239-L1243 HydrophobicContact CE2-CD2 3.93Å; F1239-L1243 HydrophobicContact CE2-CG 4.39Å; F1239-L1243 HydrophobicContact CZ-CD1 4.17Å; F1239-L1243 HydrophobicContact CZ-CD2 3.7Å; F1239-L1243 HydrophobicContact CZ-CG 4.11Å; F1239-L1243 WeakPolarHBondContact O-CG 3.19Å; F1239-L1243 PolarHBondContact O-N 3.34Å; L1241-L1243 PolarHBondContact O-N 3.41Å; L1243-T1246 PolarHBondContact O-N 3.37Å; L1243-L1247 PolarHBondContact O-N 3.01Å; L1243-L1261 HydrophobicContact CB-CD2 4.06Å |
| 1244 | I | 95.4 | Very high | 94.1 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.6 | -48 | 176.8 | -61.8 | 171.7 | 0 | 0 | 0 | 109.2 | L1241 T1246 L1247 D1248 L1261 V1263 I1304 | L1241-I1244 WeakPolarHBondContact O-CB 3.45Å; L1241-I1244 PolarHBondContact O-N 3.31Å; L1241-I1244 VanDerWaalsContact O-N 3.11Å; I1244-T1246 VanDerWaalsContact C-N 3.29Å; I1244-T1246 PolarHBondContact O-N 3.45Å; I1244-L1247 PolarHBondContact O-N 3.06Å; I1244-L1247 VanDerWaalsContact O-N 3.09Å; I1244-D1248 PolarHBondContact O-N 3.49Å; I1244-L1261 HydrophobicContact CG1-CD2 3.83Å; I1244-V1263 HydrophobicContact CD1-CG2 4.43Å; I1244-V1263 HydrophobicContact CG1-CG2 4.35Å; I1244-I1304 HydrophobicContact CD1-CD1 4.18Å; I1244-I1304 HydrophobicContact CD1-CG1 3.85Å |
| 1245 | H | 94.8 | Very high | 93.3 | Very high | 103 Ų | 103 | 47.3 Ų | 47.3 | 48% | 0.477 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.4 | -32.8 | 176.7 | -65.1 | -35.2 | 0 | 0 | 0 | 113.6 | L1241 D1248 D1249 | L1241-H1245 PolarHBondContact O-N 3.13Å; H1245-D1248 IonicContact ND1-OD2 2.8Å; H1245-D1248 PolarHBondContact O-N 3.39Å; H1245-D1249 PolarHBondContact O-N 3.29Å |
| 1246 | T | 94.9 | Very high | 92.6 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 173.8 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | D1189 F1190 Q1193 D1242 L1243 I1244 D1249 F1250 | D1189-T1246 HydrophobicContact CB-CG2 3.95Å; F1190-T1246 HydrophobicContact CD1-CG2 3.85Å; F1190-T1246 HydrophobicContact CE1-CG2 4.05Å; Q1193-T1246 PolarHBondContact NE2-OG1 3.31Å; D1242-T1246 PolarHBondContact O-N 3.04Å; D1242-T1246 PolarHBondContact O-OG1 2.91Å; L1243-T1246 PolarHBondContact O-N 3.37Å; I1244-T1246 VanDerWaalsContact C-N 3.29Å; I1244-T1246 PolarHBondContact O-N 3.45Å; T1246-D1249 PolarHBondContact O-N 3.37Å; T1246-F1250 WeakPolarHBondContact O-CB 3.28Å; T1246-F1250 PolarHBondContact O-N 3.42Å |
| 1247 | L | 95 | Very high | 92.1 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.8 | -35.4 | 174.9 | -162.2 | 68.6 | 0 | 0 | 0 | 111.8 | I1186 F1190 L1243 I1244 F1250 N1251 F1259 L1261 | I1186-L1247 HydrophobicContact CD1-CD1 4.16Å; I1186-L1247 HydrophobicContact CG1-CD1 4.34Å; I1186-L1247 HydrophobicContact CG2-CD1 3.78Å; F1190-L1247 HydrophobicContact CE1-CB 4.5Å; F1190-L1247 HydrophobicContact CZ-CB 4.46Å; F1190-L1247 HydrophobicContact CZ-CD1 4.4Å; L1243-L1247 PolarHBondContact O-N 3.01Å; I1244-L1247 PolarHBondContact O-N 3.06Å; I1244-L1247 VanDerWaalsContact O-N 3.09Å; L1247-F1250 PolarHBondContact O-N 3.48Å; L1247-N1251 VanDerWaalsContact O-CB 3.29Å; L1247-N1251 WeakPolarHBondContact O-CB 3.13Å; L1247-N1251 PolarHBondContact O-N 2.79Å; L1247-N1251 PolarHBondContact O-ND2 2.99Å; L1247-F1259 HydrophobicContact CD1-CB 3.86Å; L1247-F1259 HydrophobicContact CD2-CB 3.89Å; L1247-F1259 VanDerWaalsContact CD2-O 3.32Å; L1247-F1259 WeakPolarHBondContact CD2-O 3.49Å; L1247-F1259 HydrophobicContact CG-CB 4.03Å; L1247-L1261 HydrophobicContact CD2-CB 3.75Å; L1247-L1261 HydrophobicContact CD2-CD1 4.2Å |
| 1248 | D | 94.2 | Very high | 91.8 | Very high | 67 Ų | 67 | 63 Ų | 63 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 172 | -67.7 | -33.9 | 0 | 0 | 0 | 111.8 | I1244 H1245 N1251 R1252 | I1244-D1248 PolarHBondContact O-N 3.49Å; H1245-D1248 IonicContact ND1-OD2 2.8Å; H1245-D1248 PolarHBondContact O-N 3.39Å; D1248-N1251 PolarHBondContact O-N 3.33Å; D1248-R1252 WeakPolarHBondContact O-CG 3.48Å; D1248-R1252 PolarHBondContact O-N 3.41Å; D1248-R1252 VanDerWaalsContact O-N 3.12Å |
| 1249 | D | 93.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 62.3 Ų | 62.3 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.5 | -24.1 | 177.9 | -81.4 | -27.4 | 0 | 0 | 0 | 113.2 | H1245 T1246 R1252 Q1253 | H1245-D1249 PolarHBondContact O-N 3.29Å; T1246-D1249 PolarHBondContact O-N 3.37Å; D1249-R1252 WeakPolarHBondContact OD1-CD 3.15Å; D1249-R1252 IonicContact OD1-CZ 3.38Å; D1249-R1252 IonicContact OD1-NE 3.21Å; D1249-R1252 IonicContact OD1-NH1 3.78Å; D1249-R1252 PolarHBondContact OD1-NH1 3.32Å; D1249-Q1253 PolarHBondContact O-NE2 3.14Å |
| 1250 | F | 92.3 | Very high | 91.5 | Very high | 27 Ų | 27 | 64.9 Ų | 64.9 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72 | -43.4 | 167 | -166.4 | -84.6 | 0 | 0 | 0 | 111.4 | V1182 E1185 I1186 T1246 L1247 R1252 Q1253 M1254 F1259 | V1182-F1250 HydrophobicContact CG1-CE1 4Å; V1182-F1250 HydrophobicContact CG1-CZ 4.05Å; E1185-F1250 HydrophobicContact CB-CE2 4Å; E1185-F1250 HydrophobicContact CB-CZ 4.41Å; I1186-F1250 HydrophobicContact CD1-CD1 3.98Å; I1186-F1250 HydrophobicContact CD1-CE1 3.72Å; I1186-F1250 HydrophobicContact CD1-CZ 4.09Å; I1186-F1250 HydrophobicContact CG1-CD1 3.75Å; I1186-F1250 HydrophobicContact CG1-CD2 3.84Å; I1186-F1250 HydrophobicContact CG1-CE1 3.61Å; I1186-F1250 HydrophobicContact CG1-CE2 3.7Å; I1186-F1250 HydrophobicContact CG1-CG 3.87Å; I1186-F1250 HydrophobicContact CG1-CZ 3.59Å; T1246-F1250 WeakPolarHBondContact O-CB 3.28Å; T1246-F1250 PolarHBondContact O-N 3.42Å; L1247-F1250 PolarHBondContact O-N 3.48Å; F1250-R1252 PolarHBondContact O-N 3.26Å; F1250-Q1253 WeakPolarHBondContact O-CA 3.38Å; F1250-Q1253 WeakPolarHBondContact O-CB 3.34Å; F1250-Q1253 PolarHBondContact O-N 3.31Å; F1250-M1254 HydrophobicContact CD1-CG 3.88Å; F1250-M1254 HydrophobicContact CE1-CG 3.69Å; F1250-M1254 HydrophobicContact CE1-SD 3.96Å; F1250-M1254 PolarHBondContact O-N 3.4Å; F1250-M1254 VanDerWaalsContact O-N 3.12Å; F1250-F1259 HydrophobicContact CD1-CD2 4.27Å; F1250-F1259 HydrophobicContact CD1-CE2 4.44Å; F1250-F1259 HydrophobicContact CE1-CD2 4.34Å; F1250-F1259 HydrophobicContact CE1-CE2 4.06Å |
| 1251 | N | 92.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 65.1 Ų | 65.1 | 10% | 0.096 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.4 | -27 | 176.9 | -76.3 | -23.8 | 0 | 0 | 0 | 113 | L1247 D1248 Q1253 Q1258 F1259 | L1247-N1251 VanDerWaalsContact O-CB 3.29Å; L1247-N1251 WeakPolarHBondContact O-CB 3.13Å; L1247-N1251 PolarHBondContact O-N 2.79Å; L1247-N1251 PolarHBondContact O-ND2 2.99Å; D1248-N1251 PolarHBondContact O-N 3.33Å; N1251-Q1253 PolarHBondContact O-N 2.98Å; N1251-Q1258 HydrophobicContact CB-CG 4.46Å; N1251-F1259 PolarHBondContact ND2-N 2.95Å; N1251-F1259 PolarHBondContact ND2-O 3.47Å; N1251-F1259 PolarHBondContact OD1-N 3.07Å |
| 1252 | R | 90.8 | Very high | 91.4 | Very high | 193 Ų | 193 | 66 Ų | 66 | 73% | 0.728 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.2 | 171.7 | -70.8 | 168.6 | -170.6 | -176.4 | -4.2 | 114.1 | D1248 D1249 F1250 | D1248-R1252 WeakPolarHBondContact O-CG 3.48Å; D1248-R1252 PolarHBondContact O-N 3.41Å; D1248-R1252 VanDerWaalsContact O-N 3.12Å; D1249-R1252 WeakPolarHBondContact OD1-CD 3.15Å; D1249-R1252 IonicContact OD1-CZ 3.38Å; D1249-R1252 IonicContact OD1-NE 3.21Å; D1249-R1252 IonicContact OD1-NH1 3.78Å; D1249-R1252 PolarHBondContact OD1-NH1 3.32Å; F1250-R1252 PolarHBondContact O-N 3.26Å |
| 1253 | Q | 86 | Confident | 91.5 | Very high | 143 Ų | 143 | 64.7 Ų | 64.7 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -25.3 | 178 | -61.2 | 171.6 | 73 | 0 | 0 | 111.7 | D1249 F1250 N1251 | D1249-Q1253 PolarHBondContact O-NE2 3.14Å; F1250-Q1253 WeakPolarHBondContact O-CA 3.38Å; F1250-Q1253 WeakPolarHBondContact O-CB 3.34Å; F1250-Q1253 PolarHBondContact O-N 3.31Å; N1251-Q1253 PolarHBondContact O-N 2.98Å |
| 1254 | M | 82.4 | Confident | 91.6 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -69 | 143.1 | 170.3 | -74 | -65.4 | -67.9 | 0 | 0 | 111.8 | F1168 V1182 F1250 F1257 F1259 | F1168-M1254 HydrophobicContact CE2-CE 3.72Å; F1168-M1254 HydrophobicContact CZ-CE 4.01Å; V1182-M1254 HydrophobicContact CG1-SD 4.5Å; F1250-M1254 HydrophobicContact CD1-CG 3.88Å; F1250-M1254 HydrophobicContact CE1-CG 3.69Å; F1250-M1254 HydrophobicContact CE1-SD 3.96Å; F1250-M1254 PolarHBondContact O-N 3.4Å; F1250-M1254 VanDerWaalsContact O-N 3.12Å; M1254-F1257 WeakPolarHBondContact CB-O 2.99Å; M1254-F1257 HydrophobicContact CE-CB 4.26Å; M1254-F1259 HydrophobicContact CE-CE2 3.85Å; M1254-F1259 HydrophobicContact CE-CZ 4.2Å; M1254-F1259 HydrophobicContact CG-CD2 4.4Å; M1254-F1259 HydrophobicContact CG-CE2 4.01Å; M1254-F1259 HydrophobicContact SD-CE2 4.18Å |
| 1255 | F | 79.3 | Confident | 91.7 | Very high | 176 Ų | 176 | 63.5 Ų | 63.5 | 77% | 0.772 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -105.5 | 127.5 | 176.7 | -168.7 | -100 | 0 | 0 | 0 | 110.1 | F1257 | F1255-F1257 PolarHBondContact O-N 3.36Å; F1255-F1257 VanDerWaalsContact O-N 3.07Å |
| 1256 | N | 81.4 | Confident | 91.9 | Very high | 148 Ų | 148 | 59.2 Ų | 59.2 | 79% | 0.791 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 56.6 | 14.5 | 178.3 | -66.2 | -0.6 | 0 | 0 | 0 | 117.1 | ||
| 1257 | F | 86.8 | Confident | 92 | Very high | 49 Ų | 49 | 59.1 Ų | 59.1 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | trans | -139.1 | 145.5 | 170.9 | -161.6 | -89.9 | 0 | 0 | 0 | 110.6 | E1167 F1168 M1254 F1255 F1259 | E1167-F1257 HydrophobicContact CB-CZ 4.39Å; F1168-F1257 HydrophobicContact CB-CE1 3.94Å; F1168-F1257 HydrophobicContact CB-CE2 4.23Å; F1168-F1257 HydrophobicContact CB-CZ 3.75Å; F1168-F1257 AromaticContact CD2-CD1 3.99Å; F1168-F1257 HydrophobicContact CD2-CD1 3.99Å; F1168-F1257 HydrophobicContact CD2-CD2 4.24Å; F1168-F1257 HydrophobicContact CD2-CE1 4.22Å; F1168-F1257 HydrophobicContact CD2-CE2 4.43Å; F1168-F1257 HydrophobicContact CD2-CG 4.02Å; F1168-F1257 HydrophobicContact CD2-CZ 4.43Å; F1168-F1257 HydrophobicContact CG-CE1 4.36Å; M1254-F1257 WeakPolarHBondContact CB-O 2.99Å; M1254-F1257 HydrophobicContact CE-CB 4.26Å; F1255-F1257 PolarHBondContact O-N 3.36Å; F1255-F1257 VanDerWaalsContact O-N 3.07Å; F1257-F1259 HydrophobicContact CD1-CD1 4.01Å; F1257-F1259 HydrophobicContact CD1-CD2 4.42Å; F1257-F1259 AromaticContact CD1-CE1 3.89Å; F1257-F1259 HydrophobicContact CD1-CE1 3.89Å; F1257-F1259 HydrophobicContact CD1-CE2 4.32Å; F1257-F1259 HydrophobicContact CD1-CG 4.27Å; F1257-F1259 HydrophobicContact CD1-CZ 4.05Å; F1257-F1259 AromaticContact CE1-CD1 3.57Å; F1257-F1259 HydrophobicContact CE1-CD1 3.57Å; F1257-F1259 AromaticContact CE1-CE1 3.61Å; F1257-F1259 HydrophobicContact CE1-CE1 3.61Å; F1257-F1259 HydrophobicContact CE1-CG 4.18Å; F1257-F1259 HydrophobicContact CE1-CZ 4.24Å | ||
| 1258 | Q | 90.9 | Very high | 92 | Very high | 143 Ų | 143 | 60 Ų | 60 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | trans | -130.3 | 121.1 | 174.7 | -68.1 | -173.9 | -15.7 | 0 | 0 | 109.6 | N1164 N1251 | N1164-Q1258 PolarHBondContact ND2-O 2.87Å; N1251-Q1258 HydrophobicContact CB-CG 4.46Å | ||
| 1259 | F | 93.4 | Very high | 92 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | trans | -78.7 | 135.7 | 175 | -66.8 | -69.7 | 0 | 0 | 0 | 111 | I1162 N1164 F1165 F1168 V1182 I1186 L1247 F1250 N1251 M1254 F1257 | I1162-F1259 HydrophobicContact CG2-CB 3.89Å; I1162-F1259 HydrophobicContact CG2-CD1 3.67Å; I1162-F1259 HydrophobicContact CG2-CG 4.16Å; N1164-F1259 WeakPolarHBondContact OD1-CA 3.3Å; F1165-F1259 HydrophobicContact CD2-CE1 4.06Å; F1168-F1259 HydrophobicContact CB-CE1 3.87Å; F1168-F1259 HydrophobicContact CB-CZ 4.46Å; F1168-F1259 AromaticContact CD1-CE1 3.72Å; F1168-F1259 HydrophobicContact CD1-CE1 3.72Å; F1168-F1259 AromaticContact CD1-CZ 3.66Å; F1168-F1259 HydrophobicContact CD1-CZ 3.66Å; F1168-F1259 HydrophobicContact CD2-CE1 4.15Å; F1168-F1259 AromaticContact CD2-CZ 3.93Å; F1168-F1259 HydrophobicContact CD2-CZ 3.93Å; F1168-F1259 HydrophobicContact CE1-CE1 4.29Å; F1168-F1259 AromaticContact CE1-CZ 3.75Å; F1168-F1259 HydrophobicContact CE1-CZ 3.75Å; F1168-F1259 HydrophobicContact CE2-CZ 4.03Å; F1168-F1259 AromaticContact CG-CE1 3.64Å; F1168-F1259 HydrophobicContact CG-CE1 3.64Å; F1168-F1259 AromaticContact CG-CZ 3.75Å; F1168-F1259 HydrophobicContact CG-CZ 3.75Å; F1168-F1259 AromaticContact CZ-CZ 3.94Å; F1168-F1259 HydrophobicContact CZ-CZ 3.94Å; V1182-F1259 HydrophobicContact CG1-CE2 3.84Å; V1182-F1259 HydrophobicContact CG1-CZ 3.79Å; I1186-F1259 HydrophobicContact CD1-CD2 3.93Å; I1186-F1259 HydrophobicContact CD1-CE2 3.99Å; I1186-F1259 HydrophobicContact CD1-CG 4.4Å; L1247-F1259 HydrophobicContact CD1-CB 3.86Å; L1247-F1259 HydrophobicContact CD2-CB 3.89Å; L1247-F1259 VanDerWaalsContact CD2-O 3.32Å; L1247-F1259 WeakPolarHBondContact CD2-O 3.49Å; L1247-F1259 HydrophobicContact CG-CB 4.03Å; F1250-F1259 HydrophobicContact CD1-CD2 4.27Å; F1250-F1259 HydrophobicContact CD1-CE2 4.44Å; F1250-F1259 HydrophobicContact CE1-CD2 4.34Å; F1250-F1259 HydrophobicContact CE1-CE2 4.06Å; N1251-F1259 PolarHBondContact ND2-N 2.95Å; N1251-F1259 PolarHBondContact ND2-O 3.47Å; N1251-F1259 PolarHBondContact OD1-N 3.07Å; M1254-F1259 HydrophobicContact CE-CE2 3.85Å; M1254-F1259 HydrophobicContact CE-CZ 4.2Å; M1254-F1259 HydrophobicContact CG-CD2 4.4Å; M1254-F1259 HydrophobicContact CG-CE2 4.01Å; M1254-F1259 HydrophobicContact SD-CE2 4.18Å; F1257-F1259 HydrophobicContact CD1-CD1 4.01Å; F1257-F1259 HydrophobicContact CD1-CD2 4.42Å; F1257-F1259 AromaticContact CD1-CE1 3.89Å; F1257-F1259 HydrophobicContact CD1-CE1 3.89Å; F1257-F1259 HydrophobicContact CD1-CE2 4.32Å; F1257-F1259 HydrophobicContact CD1-CG 4.27Å; F1257-F1259 HydrophobicContact CD1-CZ 4.05Å; F1257-F1259 AromaticContact CE1-CD1 3.57Å; F1257-F1259 HydrophobicContact CE1-CD1 3.57Å; F1257-F1259 AromaticContact CE1-CE1 3.61Å; F1257-F1259 HydrophobicContact CE1-CE1 3.61Å; F1257-F1259 HydrophobicContact CE1-CG 4.18Å; F1257-F1259 HydrophobicContact CE1-CZ 4.24Å | ||
| 1260 | E | 93.3 | Very high | 92 | Very high | 54 Ų | 54 | 58.2 Ų | 58.2 | 25% | 0.252 | 27% | 0.272 | S | S | . | . | trans | -109.4 | 118 | -177.7 | -62.1 | 172.3 | 147.5 | 0 | 0 | 111.1 | I1162 A1163 N1164 K1301 | I1162-E1260 WeakPolarHBondContact CA-O 3.32Å; A1163-E1260 PolarHBondContact N-O 3.41Å; N1164-E1260 PolarHBondContact OD1-N 3.02Å; E1260-K1301 WeakPolarHBondContact OE1-CD 3.39Å; E1260-K1301 IonicContact OE1-NZ 3.41Å; E1260-K1301 PolarHBondContact OE1-NZ 3.46Å; E1260-K1301 VanDerWaalsContact OE2-CD 3.22Å; E1260-K1301 WeakPolarHBondContact OE2-CD 3.42Å; E1260-K1301 WeakPolarHBondContact OE2-CE 3.38Å; E1260-K1301 IonicContact OE2-NZ 3.69Å; E1260-K1301 PolarHBondContact OE2-NZ 3.17Å | ||
| 1261 | L | 94.8 | Very high | 92 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131 | 173.5 | -153.2 | 68.3 | 0 | 0 | 0 | 110.4 | A1160 I1162 F1190 L1243 I1244 L1247 V1263 G1302 | A1160-L1261 HydrophobicContact CB-CD1 4.32Å; A1160-L1261 HydrophobicContact CB-CD2 4.19Å; A1160-L1261 HydrophobicContact CB-CG 4.39Å; I1162-L1261 HydrophobicContact CG1-CD1 4.33Å; F1190-L1261 HydrophobicContact CE2-CD1 4.35Å; F1190-L1261 HydrophobicContact CZ-CD1 4.25Å; L1243-L1261 HydrophobicContact CB-CD2 4.06Å; I1244-L1261 HydrophobicContact CG1-CD2 3.83Å; L1247-L1261 HydrophobicContact CD2-CB 3.75Å; L1247-L1261 HydrophobicContact CD2-CD1 4.2Å; L1261-V1263 HydrophobicContact CD2-CG2 3.67Å; L1261-V1263 HydrophobicContact CG-CG2 3.85Å; L1261-G1302 WeakPolarHBondContact O-CA 3.42Å; L1261-G1302 PolarHBondContact O-N 3.39Å |
| 1262 | K | 96.6 | Very high | 91.9 | Very high | 47 Ų | 47 | 56.8 Ų | 56.8 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137.4 | 159.1 | -74.6 | -177.1 | 179.2 | -156.4 | 0 | 108.6 | C1161 A1163 Y1296 G1299 | C1161-K1262 PolarHBondContact N-O 3.24Å; C1161-K1262 PolarHBondContact O-N 2.95Å; A1163-K1262 HydrophobicContact CB-CD 3.85Å; A1163-K1262 HydrophobicContact CB-CG 3.83Å; K1262-Y1296 HydrophobicContact CB-CD2 3.69Å; K1262-Y1296 HydrophobicContact CB-CE2 3.78Å; K1262-Y1296 HydrophobicContact CD-CE2 4.29Å; K1262-G1299 WeakPolarHBondContact CD-O 3.46Å; K1262-G1299 WeakPolarHBondContact CE-O 3.45Å; K1262-G1299 PolarHBondContact NZ-O 3.12Å |
| 1263 | V | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.7 | -178.4 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | V1158 F1159 A1160 A1240 I1244 L1261 R1303 I1304 Q1305 | V1158-V1263 HydrophobicContact CG2-CG1 3.42Å; V1158-V1263 VanDerWaalsContact CG2-CG1 3.42Å; F1159-V1263 CarbonylContact O-C 3.48Å; F1159-V1263 VanDerWaalsContact O-CA 3.3Å; F1159-V1263 WeakPolarHBondContact O-CA 3.2Å; A1160-V1263 HydrophobicContact CB-CG1 4.31Å; A1160-V1263 HydrophobicContact CB-CG2 4.03Å; A1240-V1263 HydrophobicContact CB-CG1 4.24Å; I1244-V1263 HydrophobicContact CD1-CG2 4.43Å; I1244-V1263 HydrophobicContact CG1-CG2 4.35Å; L1261-V1263 HydrophobicContact CD2-CG2 3.67Å; L1261-V1263 HydrophobicContact CG-CG2 3.85Å; V1263-R1303 PolarHBondContact N-O 3.15Å; V1263-I1304 HydrophobicContact CB-CB 4.28Å; V1263-I1304 HydrophobicContact CB-CG1 3.86Å; V1263-I1304 HydrophobicContact CB-CG2 4.29Å; V1263-I1304 HydrophobicContact CG1-CB 4.45Å; V1263-I1304 HydrophobicContact CG1-CG1 4.05Å; V1263-I1304 HydrophobicContact CG1-CG2 4Å; V1263-I1304 HydrophobicContact CG2-CG1 4.28Å; V1263-I1304 WeakPolarHBondContact O-CA 3.44Å; V1263-Q1305 PolarHBondContact O-N 3.01Å |
| 1264 | G | 97.5 | Very high | 92 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1158 F1159 | V1158-G1264 WeakPolarHBondContact CA-O 3.41Å; V1158-G1264 WeakPolarHBondContact CG2-O 3.27Å; F1159-G1264 PolarHBondContact N-O 3.17Å; F1159-G1264 PolarHBondContact O-N 3.47Å |
| 1265 | Y | 98 | Very high | 92 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.1 | -177.3 | 176.2 | -71.4 | 0 | 0 | 0 | 110.1 | V1157 V1158 L1233 L1236 L1237 I1267 Q1305 V1306 V1310 L1314 | V1157-Y1265 WeakPolarHBondContact O-CA 3.32Å; V1158-Y1265 HydrophobicContact CB-CD2 4.1Å; V1158-Y1265 HydrophobicContact CG2-CD2 4.22Å; L1233-Y1265 PolarHBondContact O-OH 3.14Å; L1236-Y1265 HydrophobicContact CB-CE2 3.95Å; L1236-Y1265 HydrophobicContact CD2-CD2 4.24Å; L1236-Y1265 HydrophobicContact CD2-CE2 3.73Å; L1236-Y1265 HydrophobicContact CG-CD2 4.35Å; L1236-Y1265 HydrophobicContact CG-CE2 3.81Å; L1237-Y1265 HydrophobicContact CB-CE2 3.85Å; L1237-Y1265 HydrophobicContact CD1-CD1 4.49Å; L1237-Y1265 HydrophobicContact CD1-CD2 3.86Å; L1237-Y1265 HydrophobicContact CD1-CE2 3.99Å; L1237-Y1265 HydrophobicContact CD1-CG 4.12Å; Y1265-I1267 HydrophobicContact CE1-CD1 3.9Å; Y1265-I1267 HydrophobicContact CE1-CG1 3.65Å; Y1265-Q1305 PolarHBondContact N-O 3.5Å; Y1265-V1306 HydrophobicContact CD1-CG1 4.18Å; Y1265-V1310 HydrophobicContact CD1-CG1 3.8Å; Y1265-V1310 HydrophobicContact CD1-CG2 4.32Å; Y1265-V1310 HydrophobicContact CE1-CG1 3.69Å; Y1265-V1310 HydrophobicContact CE1-CG2 4.4Å; Y1265-L1314 HydrophobicContact CE1-CD1 4.11Å |
| 1266 | N | 97.6 | Very high | 91.7 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 162 | 173.7 | -162.8 | 44.5 | 0 | 0 | 0 | 112 | V1157 T1288 V1291 A1292 T1307 | V1157-N1266 PolarHBondContact N-O 3.09Å; V1157-N1266 PolarHBondContact O-N 3.37Å; N1266-T1288 HydrophobicContact CB-CG2 4.49Å; N1266-V1291 HydrophobicContact CB-CG1 4.32Å; N1266-A1292 HydrophobicContact CB-CB 3.83Å; N1266-T1307 VanDerWaalsContact OD1-CG2 3.28Å; N1266-T1307 WeakPolarHBondContact OD1-CG2 3.38Å; N1266-T1307 PolarHBondContact OD1-OG1 3.37Å |
| 1267 | I | 97.5 | Very high | 91 | Very high | 25 Ų | 25 | 28.4 Ų | 28.4 | 13% | 0.128 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.4 | 176.6 | -57.8 | 166.3 | 0 | 0 | 0 | 108.6 | D1154 A1155 L1233 Y1265 V1310 R1313 L1314 | D1154-I1267 VanDerWaalsContact OD1-CG2 3.3Å; D1154-I1267 WeakPolarHBondContact OD1-CG2 3.35Å; A1155-I1267 WeakPolarHBondContact O-CA 3.4Å; L1233-I1267 HydrophobicContact CD1-CD1 4.14Å; L1233-I1267 HydrophobicContact CD1-CG2 4.34Å; L1233-I1267 HydrophobicContact CD2-CD1 4.25Å; L1233-I1267 HydrophobicContact CD2-CG1 4.07Å; L1233-I1267 HydrophobicContact CD2-CG2 3.99Å; Y1265-I1267 HydrophobicContact CE1-CD1 3.9Å; Y1265-I1267 HydrophobicContact CE1-CG1 3.65Å; I1267-V1310 HydrophobicContact CB-CG2 4.12Å; I1267-V1310 HydrophobicContact CD1-CB 4.35Å; I1267-V1310 HydrophobicContact CD1-CG1 4.04Å; I1267-V1310 HydrophobicContact CD1-CG2 3.97Å; I1267-V1310 HydrophobicContact CG1-CG2 3.85Å; I1267-R1313 HydrophobicContact CD1-CG 4.49Å; I1267-L1314 HydrophobicContact CD1-CD1 4.06Å; I1267-L1314 HydrophobicContact CD1-CD2 4.4Å; I1267-L1314 HydrophobicContact CD1-CG 4.12Å |
| 1268 | G | 95.3 | Very high | 89.8 | Confident | 20 Ų | 20 | 29 Ų | 29 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.9 | -164 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1153 A1155 T1288 | E1153-G1268 CarbonylContact O-C 3.57Å; A1155-G1268 PolarHBondContact N-O 3.03Å; A1155-G1268 PolarHBondContact O-N 3.12Å; A1155-G1268 VanDerWaalsContact O-N 3.13Å; G1268-T1288 VanDerWaalsContact CA-OG1 3.28Å; G1268-T1288 WeakPolarHBondContact CA-OG1 3.39Å |
| 1269 | E | 93.6 | Very high | 88.8 | Confident | 109 Ų | 109 | 23.5 Ų | 23.5 | 51% | 0.509 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 148.5 | -179.7 | 67.6 | -177.9 | 132.9 | 0 | 0 | 113.1 | H1151 I1152 E1153 T1288 | H1151-E1269 IonicContact CD2-OE2 2.89Å; H1151-E1269 IonicContact CE1-OE2 3.91Å; H1151-E1269 IonicContact NE2-OE2 3.75Å; H1151-E1269 PolarHBondContact NE2-OE2 3.29Å; I1152-E1269 CarbonylContact O-C 3.4Å; I1152-E1269 VanDerWaalsContact O-CA 3.26Å; I1152-E1269 WeakPolarHBondContact O-CA 3.2Å; E1153-E1269 VanDerWaalsContact O-CA 3.31Å; E1153-E1269 WeakPolarHBondContact O-CA 3.42Å; E1153-E1269 PolarHBondContact O-N 3.21Å; E1269-T1288 PolarHBondContact N-OG1 3.14Å; E1269-T1288 VanDerWaalsContact O-CB 3.24Å; E1269-T1288 WeakPolarHBondContact O-CB 3.22Å; E1269-T1288 PolarHBondContact O-OG1 3.19Å |
| 1270 | V | 93.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.2 | 170.7 | -61.7 | 0 | 0 | 0 | 0 | 111 | I1152 A1155 V1157 L1218 W1285 T1288 V1289 | I1152-V1270 HydrophobicContact CB-CG2 4.02Å; I1152-V1270 PolarHBondContact N-O 3.37Å; I1152-V1270 PolarHBondContact O-N 2.92Å; A1155-V1270 HydrophobicContact CB-CG1 4.3Å; A1155-V1270 HydrophobicContact CB-CG2 3.6Å; V1157-V1270 HydrophobicContact CG2-CG1 4.03Å; L1218-V1270 HydrophobicContact CD2-CG2 3.87Å; V1270-W1285 CarbonylContact C-O 3.41Å; V1270-W1285 WeakPolarHBondContact CA-O 3.07Å; V1270-T1288 HydrophobicContact CG1-CG2 4.33Å; V1270-V1289 HydrophobicContact CG1-CG2 3.99Å |
| 1271 | T | 92 | Very high | 87.3 | Confident | 16 Ų | 16 | 25.2 Ų | 25.2 | 10% | 0.098 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 119.2 | 162.5 | -73.9 | 0 | 0 | 0 | 0 | 108.5 | A431 V435 I1284 W1285 | A431-T1271 HydrophobicContact CB-CG2 3.62Å; V435-T1271 HydrophobicContact CG2-CG2 4.1Å; T1271-I1284 CarbonylContact O-C 3.57Å; T1271-I1284 WeakPolarHBondContact O-CA 3.43Å; T1271-W1285 HydrophobicContact CG2-CE3 4.34Å; T1271-W1285 PolarHBondContact N-O 2.94Å; T1271-W1285 PolarHBondContact O-N 3.37Å |
| 1272 | A | 92.3 | Very high | 87 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 140.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y1148 S1149 R1150 I1152 Y1282 I1284 | Y1148-A1272 HydrophobicContact CE1-CB 4.43Å; S1149-A1272 CarbonylContact C-O 3.57Å; S1149-A1272 WeakPolarHBondContact CA-O 3.45Å; R1150-A1272 PolarHBondContact N-O 2.91Å; R1150-A1272 PolarHBondContact O-N 2.86Å; I1152-A1272 HydrophobicContact CD1-CB 4.05Å; A1272-Y1282 HydrophobicContact CB-CE2 4.31Å; A1272-I1284 HydrophobicContact CB-CG2 3.91Å |
| 1273 | G | 90.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 170.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1148 Y1282 D1283 | Y1148-G1273 VanDerWaalsContact O-CA 3.31Å; Y1148-G1273 WeakPolarHBondContact O-CA 3.32Å; G1273-Y1282 WeakPolarHBondContact O-CA 3.47Å; G1273-Y1282 WeakPolarHBondContact O-CD2 3.35Å; G1273-D1283 PolarHBondContact N-O 3.28Å; G1273-D1283 VanDerWaalsContact N-O 3.11Å; G1273-D1283 PolarHBondContact O-N 2.91Å; G1273-D1283 VanDerWaalsContact O-N 3.13Å |
| 1274 | V | 88 | Confident | 86.4 | Confident | 9 Ų | 9 | 23.5 Ų | 23.5 | 6% | 0.055 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.1 | 167.6 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | N439 I1138 L1142 Y1148 L1280 L1281 Y1282 | N439-V1274 PolarHBondContact ND2-O 3.22Å; I1138-V1274 HydrophobicContact CD1-CG2 3.5Å; I1138-V1274 VanDerWaalsContact CD1-CG2 3.5Å; L1142-V1274 HydrophobicContact CD1-CG2 4.36Å; L1142-V1274 HydrophobicContact CD2-CB 4.45Å; L1142-V1274 HydrophobicContact CD2-CG2 4.33Å; Y1148-V1274 HydrophobicContact CD1-CG2 4.38Å; Y1148-V1274 PolarHBondContact O-N 3.07Å; V1274-L1280 HydrophobicContact CG1-CB 4.28Å; V1274-L1280 HydrophobicContact CG1-CD2 3.69Å; V1274-L1281 WeakPolarHBondContact CA-O 3.46Å; V1274-Y1282 HydrophobicContact CG2-CD2 4.03Å |
| 1275 | I | 82 | Confident | 86 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 149.3 | -178.4 | -76.8 | -170.9 | 0 | 0 | 0 | 110.6 | L438 N439 F442 L1280 L1281 W1285 | L438-I1275 HydrophobicContact CB-CD1 3.71Å; L438-I1275 HydrophobicContact CD1-CD1 3.83Å; L438-I1275 HydrophobicContact CG-CD1 4.4Å; N439-I1275 WeakPolarHBondContact OD1-CA 3.31Å; F442-I1275 HydrophobicContact CB-CG2 4.5Å; F442-I1275 HydrophobicContact CD2-CD1 4.18Å; F442-I1275 HydrophobicContact CD2-CG2 3.66Å; F442-I1275 HydrophobicContact CE2-CD1 4.18Å; F442-I1275 HydrophobicContact CE2-CG2 4.38Å; I1275-L1280 WeakPolarHBondContact O-CA 3.48Å; I1275-L1281 PolarHBondContact N-O 3.35Å; I1275-L1281 PolarHBondContact O-N 3.22Å; I1275-W1285 HydrophobicContact CD1-CH2 3.43Å; I1275-W1285 VanDerWaalsContact CD1-CH2 3.43Å; I1275-W1285 HydrophobicContact CD1-CZ2 3.28Å; I1275-W1285 HydrophobicContact CD1-CZ3 4.36Å; I1275-W1285 HydrophobicContact CG1-CH2 3.71Å; I1275-W1285 HydrophobicContact CG1-CZ2 4.05Å |
| 1276 | G | 72.7 | Confident | 85.6 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 6% | 0.062 | 15% | 0.149 | C | C | . | . | trans | 105 | 137.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N439 L1280 | N439-G1276 PolarHBondContact OD1-N 3.07Å; G1276-L1280 WeakPolarHBondContact O-CD2 3.12Å | ||
| 1277 | T | 66.2 | Low | 85.1 | Confident | 94 Ų | 94 | 28.4 Ų | 28.4 | 58% | 0.577 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -88.8 | -36.9 | 175.5 | 50.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1278 | T | 62.3 | Low | 84.9 | Confident | 61 Ų | 61 | 27.5 Ų | 27.5 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -104.7 | -38.8 | 177.4 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | S252 | S252-T1278 WeakPolarHBondContact CB-O 3.32Š|
| 1279 | K | 69.9 | Low | 84.8 | Confident | 28 Ų | 28 | 27.2 Ų | 27.2 | 12% | 0.122 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -110.2 | 87.6 | 176.9 | -61.4 | -153.8 | 174.8 | -174.4 | 0 | 112.2 | S252 E455 K456 L1281 | S252-K1279 WeakPolarHBondContact O-CB 3.31Å; S252-K1279 WeakPolarHBondContact O-CD 3Å; S252-K1279 WeakPolarHBondContact O-CG 3.45Å; E455-K1279 IonicContact OE1-NZ 2.75Å; E455-K1279 PolarHBondContact OE1-NZ 3.42Å; K456-K1279 HydrophobicContact CB-CD 4.36Å; K456-K1279 HydrophobicContact CD-CB 4.39Å; K456-K1279 HydrophobicContact CD-CD 4.21Å; K456-K1279 HydrophobicContact CD-CG 4.43Å; K456-K1279 HydrophobicContact CG-CD 4.34Å; K456-K1279 PolarHBondContact O-NZ 3.14Å; K1279-L1281 PolarHBondContact O-N 3.09Å |
| 1280 | L | 74.5 | Confident | 84.6 | Confident | 53 Ų | 53 | 25.6 Ų | 25.6 | 28% | 0.277 | 15% | 0.15 | S | C | . | . | trans | -66.2 | 117.7 | 179.5 | -70.3 | 168.7 | 0 | 0 | 0 | 111.9 | M249 V1274 I1275 G1276 | M249-L1280 HydrophobicContact CE-CD1 4.42Å; V1274-L1280 HydrophobicContact CG1-CB 4.28Å; V1274-L1280 HydrophobicContact CG1-CD2 3.69Å; I1275-L1280 WeakPolarHBondContact O-CA 3.48Å; G1276-L1280 WeakPolarHBondContact O-CD2 3.12Å | ||
| 1281 | L | 81 | Confident | 84.6 | Confident | 41 Ų | 41 | 25.9 Ų | 25.9 | 22% | 0.215 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.8 | -179.7 | -167.4 | 151.9 | 0 | 0 | 0 | 110.3 | A458 V1274 I1275 K1279 D1283 | A458-L1281 HydrophobicContact CB-CD1 4.26Å; V1274-L1281 WeakPolarHBondContact CA-O 3.46Å; I1275-L1281 PolarHBondContact N-O 3.35Å; I1275-L1281 PolarHBondContact O-N 3.22Å; K1279-L1281 PolarHBondContact O-N 3.09Å; L1281-D1283 HydrophobicContact CD2-CB 3.82Å |
| 1282 | Y | 87.7 | Confident | 84.8 | Confident | 10 Ų | 10 | 25.1 Ų | 25.1 | 4% | 0.039 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130.5 | 173.2 | 175.7 | -94 | 0 | 0 | 0 | 110.6 | P1135 Y1137 I1138 Y1148 I1205 A1272 G1273 V1274 | P1135-Y1282 HydrophobicContact CG-CD1 3.61Å; P1135-Y1282 HydrophobicContact CG-CD2 4.23Å; P1135-Y1282 HydrophobicContact CG-CE1 3.78Å; P1135-Y1282 HydrophobicContact CG-CE2 4.36Å; P1135-Y1282 HydrophobicContact CG-CG 3.85Å; Y1137-Y1282 PolarHBondContact OH-OH 2.92Å; Y1137-Y1282 VanDerWaalsContact OH-OH 3.05Å; I1138-Y1282 HydrophobicContact CD1-CD2 3.54Å; I1138-Y1282 HydrophobicContact CD1-CE2 3.92Å; Y1148-Y1282 HydrophobicContact CD1-CE2 4.44Å; Y1148-Y1282 HydrophobicContact CE1-CE2 4.07Å; I1205-Y1282 HydrophobicContact CD1-CE1 4.14Å; A1272-Y1282 HydrophobicContact CB-CE2 4.31Å; G1273-Y1282 WeakPolarHBondContact O-CA 3.47Å; G1273-Y1282 WeakPolarHBondContact O-CD2 3.35Å; V1274-Y1282 HydrophobicContact CG2-CD2 4.03Å |
| 1283 | D | 90.2 | Very high | 84.9 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 172.7 | -177.6 | -163.6 | 21.3 | 0 | 0 | 0 | 112.1 | I1205 K1206 G1273 L1281 W1285 | I1205-D1283 WeakPolarHBondContact CG2-OD1 3.34Å; K1206-D1283 VanDerWaalsContact CE-OD1 3.22Å; K1206-D1283 WeakPolarHBondContact CE-OD1 3.28Å; K1206-D1283 IonicContact NZ-OD1 3.75Å; K1206-D1283 PolarHBondContact NZ-OD1 3.35Å; K1206-D1283 IonicContact NZ-OD2 2.68Å; K1206-D1283 PolarHBondContact NZ-OD2 3.45Å; G1273-D1283 PolarHBondContact N-O 3.28Å; G1273-D1283 VanDerWaalsContact N-O 3.11Å; G1273-D1283 PolarHBondContact O-N 2.91Å; G1273-D1283 VanDerWaalsContact O-N 3.13Å; L1281-D1283 HydrophobicContact CD2-CB 3.82Å; D1283-W1285 HydrophobicContact CB-CH2 3.64Å; D1283-W1285 HydrophobicContact CB-CZ2 3.59Å; D1283-W1285 HydrophobicContact CB-CZ3 4.38Å; D1283-W1285 WeakPolarHBondContact O-CZ3 3.44Å |
| 1284 | I | 92.2 | Very high | 85 | Confident | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.3 | 178.1 | 61.6 | 173.8 | 0 | 0 | 0 | 112 | V1157 I1205 M1213 A1215 L1218 T1271 A1272 V1289 | V1157-I1284 HydrophobicContact CG2-CD1 4.04Å; I1205-I1284 HydrophobicContact CD1-CD1 4.24Å; I1205-I1284 HydrophobicContact CD1-CG2 4.44Å; I1205-I1284 HydrophobicContact CG1-CD1 4.08Å; I1205-I1284 HydrophobicContact CG1-CG1 4.33Å; I1205-I1284 HydrophobicContact CG2-CG1 4.43Å; M1213-I1284 HydrophobicContact CE-CD1 3.9Å; M1213-I1284 HydrophobicContact CE-CG1 3.62Å; A1215-I1284 HydrophobicContact CB-CD1 3.63Å; L1218-I1284 HydrophobicContact CD1-CG2 4.09Å; L1218-I1284 HydrophobicContact CD2-CG2 4.25Å; T1271-I1284 CarbonylContact O-C 3.57Å; T1271-I1284 WeakPolarHBondContact O-CA 3.43Å; A1272-I1284 HydrophobicContact CB-CG2 3.91Å; I1284-V1289 HydrophobicContact CD1-CG2 4.11Å; I1284-V1289 HydrophobicContact CG1-CG2 4.01Å |
| 1285 | W | 89.8 | Confident | 85.3 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 156.7 | 177.8 | -55.6 | -93.1 | 0 | 0 | 0 | 111.2 | V435 G461 V1270 T1271 I1275 D1283 | V435-W1285 HydrophobicContact CG2-CZ3 4.41Å; G461-W1285 PolarHBondContact O-NE1 3.34Å; V1270-W1285 CarbonylContact C-O 3.41Å; V1270-W1285 WeakPolarHBondContact CA-O 3.07Å; T1271-W1285 HydrophobicContact CG2-CE3 4.34Å; T1271-W1285 PolarHBondContact N-O 2.94Å; T1271-W1285 PolarHBondContact O-N 3.37Å; I1275-W1285 HydrophobicContact CD1-CH2 3.43Å; I1275-W1285 VanDerWaalsContact CD1-CH2 3.43Å; I1275-W1285 HydrophobicContact CD1-CZ2 3.28Å; I1275-W1285 HydrophobicContact CD1-CZ3 4.36Å; I1275-W1285 HydrophobicContact CG1-CH2 3.71Å; I1275-W1285 HydrophobicContact CG1-CZ2 4.05Å; D1283-W1285 HydrophobicContact CB-CH2 3.64Å; D1283-W1285 HydrophobicContact CB-CZ2 3.59Å; D1283-W1285 HydrophobicContact CB-CZ3 4.38Å; D1283-W1285 WeakPolarHBondContact O-CZ3 3.44Å |
| 1286 | G | 88.2 | Confident | 85.9 | Confident | 30 Ų | 30 | 33.6 Ų | 33.6 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 143.9 | 163.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1288 V1289 N1290 | G1286-T1288 PolarHBondContact O-N 3.25Å; G1286-V1289 WeakPolarHBondContact O-CB 3.47Å; G1286-V1289 PolarHBondContact O-N 2.76Å; G1286-N1290 PolarHBondContact O-N 3.09Å |
| 1287 | D | 87.5 | Confident | 86.7 | Confident | 74 Ų | 74 | 36 Ų | 36 | 40% | 0.396 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.9 | -34.7 | 178.7 | -170.4 | 62.1 | 0 | 0 | 0 | 112.2 | V1289 N1290 V1291 K1331 | D1287-V1289 VanDerWaalsContact C-N 3.3Å; D1287-V1289 PolarHBondContact O-N 3.49Å; D1287-N1290 PolarHBondContact O-N 2.96Å; D1287-V1291 WeakPolarHBondContact O-CB 3.34Å; D1287-V1291 WeakPolarHBondContact O-CG2 3.3Å; D1287-V1291 PolarHBondContact O-N 2.76Å; D1287-K1331 VanDerWaalsContact CG-CE 3.45Å; D1287-K1331 WeakPolarHBondContact OD1-CE 3.29Å; D1287-K1331 IonicContact OD1-NZ 3.18Å; D1287-K1331 PolarHBondContact OD1-NZ 3.49Å; D1287-K1331 WeakPolarHBondContact OD2-CE 3.2Å; D1287-K1331 IonicContact OD2-NZ 2.62Å; D1287-K1331 PolarHBondContact OD2-NZ 3.36Å |
| 1288 | T | 93.5 | Very high | 88 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.8 | -43.4 | 174.5 | -53.8 | 0 | 0 | 0 | 0 | 112.9 | V1157 N1266 G1268 E1269 V1270 G1286 A1292 | V1157-T1288 HydrophobicContact CB-CG2 4.48Å; V1157-T1288 HydrophobicContact CG2-CG2 3.97Å; N1266-T1288 HydrophobicContact CB-CG2 4.49Å; G1268-T1288 VanDerWaalsContact CA-OG1 3.28Å; G1268-T1288 WeakPolarHBondContact CA-OG1 3.39Å; E1269-T1288 PolarHBondContact N-OG1 3.14Å; E1269-T1288 VanDerWaalsContact O-CB 3.24Å; E1269-T1288 WeakPolarHBondContact O-CB 3.22Å; E1269-T1288 PolarHBondContact O-OG1 3.19Å; V1270-T1288 HydrophobicContact CG1-CG2 4.33Å; G1286-T1288 PolarHBondContact O-N 3.25Å; T1288-A1292 WeakPolarHBondContact O-CB 3.33Å; T1288-A1292 PolarHBondContact O-N 3.31Å |
| 1289 | V | 93.6 | Very high | 89.4 | Confident | 13 Ų | 13 | 30.5 Ų | 30.5 | 8% | 0.079 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.4 | -45.8 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | V1157 F1159 M1213 V1270 I1284 G1286 D1287 V1291 A1292 S1293 | V1157-V1289 HydrophobicContact CG1-CG2 4.43Å; V1157-V1289 HydrophobicContact CG2-CG2 4.22Å; F1159-V1289 HydrophobicContact CE2-CG1 3.96Å; F1159-V1289 WeakPolarHBondContact CE2-O 3.44Å; F1159-V1289 HydrophobicContact CZ-CG1 3.91Å; M1213-V1289 HydrophobicContact CE-CG1 3.7Å; V1270-V1289 HydrophobicContact CG1-CG2 3.99Å; I1284-V1289 HydrophobicContact CD1-CG2 4.11Å; I1284-V1289 HydrophobicContact CG1-CG2 4.01Å; G1286-V1289 WeakPolarHBondContact O-CB 3.47Å; G1286-V1289 PolarHBondContact O-N 2.76Å; D1287-V1289 VanDerWaalsContact C-N 3.3Å; D1287-V1289 PolarHBondContact O-N 3.49Å; V1289-V1291 PolarHBondContact O-N 3.33Å; V1289-A1292 PolarHBondContact O-N 3.18Å; V1289-S1293 PolarHBondContact O-N 2.77Å |
| 1290 | N | 90.3 | Very high | 90.5 | Very high | 76 Ų | 76 | 32.6 Ų | 32.6 | 41% | 0.406 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 178.3 | -72.7 | -16.9 | 0 | 0 | 0 | 111.4 | G1286 D1287 S1293 R1294 | G1286-N1290 PolarHBondContact O-N 3.09Å; D1287-N1290 PolarHBondContact O-N 2.96Å; N1290-S1293 PolarHBondContact O-N 2.79Å; N1290-R1294 WeakPolarHBondContact O-CG 3.31Å; N1290-R1294 PolarHBondContact O-N 3.43Å |
| 1291 | V | 93.5 | Very high | 91.2 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | N1266 D1287 V1289 S1293 R1294 M1295 T1307 M1334 | N1266-V1291 HydrophobicContact CB-CG1 4.32Å; D1287-V1291 WeakPolarHBondContact O-CB 3.34Å; D1287-V1291 WeakPolarHBondContact O-CG2 3.3Å; D1287-V1291 PolarHBondContact O-N 2.76Å; V1289-V1291 PolarHBondContact O-N 3.33Å; V1291-S1293 VanDerWaalsContact C-N 3.34Å; V1291-S1293 PolarHBondContact O-N 3.48Å; V1291-R1294 PolarHBondContact O-N 3.33Å; V1291-M1295 HydrophobicContact CG1-CG 4.46Å; V1291-M1295 WeakPolarHBondContact O-CG 3.37Å; V1291-M1295 PolarHBondContact O-N 2.98Å; V1291-T1307 HydrophobicContact CG1-CG2 3.58Å; V1291-M1334 HydrophobicContact CG1-CE 4.49Å; V1291-M1334 HydrophobicContact CG1-SD 4.21Å |
| 1292 | A | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1157 F1159 N1266 T1288 V1289 R1294 M1295 Y1296 | V1157-A1292 HydrophobicContact CB-CB 4.14Å; V1157-A1292 HydrophobicContact CG1-CB 4.02Å; F1159-A1292 HydrophobicContact CD2-CB 3.86Å; F1159-A1292 HydrophobicContact CE2-CB 4.11Å; N1266-A1292 HydrophobicContact CB-CB 3.83Å; T1288-A1292 WeakPolarHBondContact O-CB 3.33Å; T1288-A1292 PolarHBondContact O-N 3.31Å; V1289-A1292 PolarHBondContact O-N 3.18Å; A1292-R1294 PolarHBondContact O-N 3.1Å; A1292-M1295 PolarHBondContact O-N 3.03Å; A1292-Y1296 PolarHBondContact O-N 3.07Å; A1292-Y1296 VanDerWaalsContact O-N 3.09Å |
| 1293 | S | 93 | Very high | 92.1 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 174.8 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | V1289 N1290 V1291 Y1296 S1297 | V1289-S1293 PolarHBondContact O-N 2.77Å; N1290-S1293 PolarHBondContact O-N 2.79Å; V1291-S1293 VanDerWaalsContact C-N 3.34Å; V1291-S1293 PolarHBondContact O-N 3.48Å; S1293-Y1296 WeakPolarHBondContact O-CB 3.43Å; S1293-Y1296 PolarHBondContact O-N 3.14Å; S1293-S1297 PolarHBondContact O-N 3.14Å |
| 1294 | R | 92.7 | Very high | 92.4 | Very high | 107 Ų | 107 | 38.1 Ų | 38.1 | 40% | 0.404 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.6 | -29.3 | 175.6 | -60 | -61.9 | 173.4 | -156.8 | -9.1 | 113.5 | N1290 V1291 A1292 Y1296 S1297 T1298 V1328 | N1290-R1294 WeakPolarHBondContact O-CG 3.31Å; N1290-R1294 PolarHBondContact O-N 3.43Å; V1291-R1294 PolarHBondContact O-N 3.33Å; A1292-R1294 PolarHBondContact O-N 3.1Å; R1294-Y1296 VanDerWaalsContact C-N 3.31Å; R1294-S1297 PolarHBondContact O-OG 3.42Å; R1294-T1298 PolarHBondContact O-N 3.33Å; R1294-T1298 VanDerWaalsContact O-N 3.15Å; R1294-T1298 PolarHBondContact O-OG1 3.3Å; R1294-V1328 HydrophobicContact CB-CG1 3.97Å; R1294-V1328 HydrophobicContact CG-CG1 4.09Å |
| 1295 | M | 95.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.8 | -35.3 | 170.2 | -67.8 | -57.6 | 98.7 | 0 | 0 | 111.5 | V1291 A1292 G1299 Q1305 T1307 V1328 M1334 T1336 | V1291-M1295 HydrophobicContact CG1-CG 4.46Å; V1291-M1295 WeakPolarHBondContact O-CG 3.37Å; V1291-M1295 PolarHBondContact O-N 2.98Å; A1292-M1295 PolarHBondContact O-N 3.03Å; M1295-G1299 WeakPolarHBondContact O-CA 3.48Å; M1295-G1299 PolarHBondContact O-N 3.45Å; M1295-Q1305 HydrophobicContact CB-CB 4.46Å; M1295-Q1305 HydrophobicContact CB-CG 4.29Å; M1295-Q1305 PolarHBondContact O-NE2 3.28Å; M1295-Q1305 HydrophobicContact SD-CG 3.9Å; M1295-Q1305 PolarHBondContact SD-NE2 3.42Å; M1295-T1307 HydrophobicContact CE-CG2 4.43Å; M1295-T1307 HydrophobicContact CG-CG2 4.06Å; M1295-T1307 HydrophobicContact SD-CG2 3.87Å; M1295-V1328 HydrophobicContact CE-CG2 3.74Å; M1295-M1334 HydrophobicContact CE-SD 4.12Å; M1295-T1336 HydrophobicContact CE-CG2 4Å; M1295-T1336 HydrophobicContact SD-CG2 3.81Å |
| 1296 | Y | 92.6 | Very high | 93 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.1 | -53.3 | 171.9 | 146.8 | -108.5 | 0 | 0 | 0 | 110.7 | F1159 C1161 K1262 A1292 S1293 R1294 T1298 G1299 | F1159-Y1296 HydrophobicContact CB-CG 4.3Å; C1161-Y1296 HydrophobicContact CB-CD2 3.98Å; C1161-Y1296 HydrophobicContact CB-CE1 4.26Å; C1161-Y1296 HydrophobicContact CB-CE2 3.4Å; C1161-Y1296 VanDerWaalsContact CB-CE2 3.4Å; C1161-Y1296 VanDerWaalsContact SG-CE1 3.51Å; C1161-Y1296 VanDerWaalsContact SG-CE2 3.51Å; K1262-Y1296 HydrophobicContact CB-CD2 3.69Å; K1262-Y1296 HydrophobicContact CB-CE2 3.78Å; K1262-Y1296 HydrophobicContact CD-CE2 4.29Å; A1292-Y1296 PolarHBondContact O-N 3.07Å; A1292-Y1296 VanDerWaalsContact O-N 3.09Å; S1293-Y1296 WeakPolarHBondContact O-CB 3.43Å; S1293-Y1296 PolarHBondContact O-N 3.14Å; R1294-Y1296 VanDerWaalsContact C-N 3.31Å; Y1296-T1298 VanDerWaalsContact C-N 3.25Å; Y1296-T1298 PolarHBondContact O-N 3.45Å; Y1296-G1299 WeakPolarHBondContact O-CA 3.43Å; Y1296-G1299 PolarHBondContact O-N 2.82Å |
| 1297 | S | 90.8 | Very high | 93.4 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.7 | -33 | -170.2 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | S1293 R1294 | S1293-S1297 PolarHBondContact O-N 3.14Å; R1294-S1297 PolarHBondContact O-OG 3.42Å |
| 1298 | T | 93.1 | Very high | 93.8 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 23% | 0.233 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -8.8 | 174 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | R1294 Y1296 Q1305 R1323 V1326 | R1294-T1298 PolarHBondContact O-N 3.33Å; R1294-T1298 VanDerWaalsContact O-N 3.15Å; R1294-T1298 PolarHBondContact O-OG1 3.3Å; Y1296-T1298 VanDerWaalsContact C-N 3.25Å; Y1296-T1298 PolarHBondContact O-N 3.45Å; T1298-Q1305 PolarHBondContact OG1-NE2 3Å; T1298-R1323 VanDerWaalsContact O-CZ 3.31Å; T1298-R1323 PolarHBondContact O-NH1 3.13Å; T1298-R1323 PolarHBondContact O-NH2 3.36Å; T1298-V1326 HydrophobicContact CG2-CG1 3.73Å |
| 1299 | G | 91.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 157.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1262 M1295 Y1296 | K1262-G1299 WeakPolarHBondContact CD-O 3.46Å; K1262-G1299 WeakPolarHBondContact CE-O 3.45Å; K1262-G1299 PolarHBondContact NZ-O 3.12Å; M1295-G1299 WeakPolarHBondContact O-CA 3.48Å; M1295-G1299 PolarHBondContact O-N 3.45Å; Y1296-G1299 WeakPolarHBondContact O-CA 3.43Å; Y1296-G1299 PolarHBondContact O-N 2.82Å |
| 1300 | L | 92.6 | Very high | 94.1 | Very high | 72 Ų | 72 | 38 Ų | 38 | 38% | 0.377 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -84.5 | 147.7 | 173.3 | -59.4 | -170.1 | 0 | 0 | 0 | 111.3 | R1303 L1338 | L1300-R1303 HydrophobicContact CB-CB 4.32Å; L1300-R1303 HydrophobicContact CB-CG 4.35Å; L1300-R1303 PolarHBondContact O-N 3.34Å; L1300-L1338 HydrophobicContact CD1-CD1 3.65Å; L1300-L1338 HydrophobicContact CG-CD1 4.34Å; L1300-L1338 HydrophobicContact CG-CD2 4.46Å |
| 1301 | K | 91.1 | Very high | 94.4 | Very high | 111 Ų | 111 | 34.7 Ų | 34.7 | 48% | 0.483 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 135.1 | 173.5 | -63.9 | 166.9 | 161.7 | -139.6 | 0 | 110 | E1260 R1303 | E1260-K1301 WeakPolarHBondContact OE1-CD 3.39Å; E1260-K1301 IonicContact OE1-NZ 3.41Å; E1260-K1301 PolarHBondContact OE1-NZ 3.46Å; E1260-K1301 VanDerWaalsContact OE2-CD 3.22Å; E1260-K1301 WeakPolarHBondContact OE2-CD 3.42Å; E1260-K1301 WeakPolarHBondContact OE2-CE 3.38Å; E1260-K1301 IonicContact OE2-NZ 3.69Å; E1260-K1301 PolarHBondContact OE2-NZ 3.17Å; K1301-R1303 VanDerWaalsContact C-N 3.26Å; K1301-R1303 PolarHBondContact O-N 3.28Å |
| 1302 | G | 91.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 40% | 0.402 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 9.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | L1261 | L1261-G1302 WeakPolarHBondContact O-CA 3.42Å; L1261-G1302 PolarHBondContact O-N 3.39Å |
| 1303 | R | 94.8 | Very high | 94.5 | Very high | 70 Ų | 70 | 45.2 Ų | 45.2 | 26% | 0.264 | 23% | 0.233 | S | C | . | . | trans | -129.4 | 153.5 | -175.2 | -56.4 | -63.6 | -62.9 | -72.2 | -1.7 | 112.1 | V1263 L1300 K1301 E1321 L1338 L1339 | V1263-R1303 PolarHBondContact N-O 3.15Å; L1300-R1303 HydrophobicContact CB-CB 4.32Å; L1300-R1303 HydrophobicContact CB-CG 4.35Å; L1300-R1303 PolarHBondContact O-N 3.34Å; K1301-R1303 VanDerWaalsContact C-N 3.26Å; K1301-R1303 PolarHBondContact O-N 3.28Å; R1303-E1321 IonicContact CZ-OE1 3.28Å; R1303-E1321 IonicContact NH1-OE1 2.67Å; R1303-E1321 PolarHBondContact NH1-OE1 2.91Å; R1303-E1321 IonicContact NH2-OE1 3.75Å; R1303-E1321 PolarHBondContact NH2-OE1 3.02Å; R1303-L1338 HydrophobicContact CB-CD2 4.06Å; R1303-L1339 PolarHBondContact NE-O 3.4Å; R1303-L1339 PolarHBondContact NH2-O 3.14Å | ||
| 1304 | I | 97.3 | Very high | 94.6 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.015 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119.3 | 171.7 | -52.8 | 175.9 | 0 | 0 | 0 | 108.7 | L1237 A1240 L1241 I1244 V1263 V1306 L1338 L1339 | L1237-I1304 HydrophobicContact CD1-CD1 4.24Å; L1237-I1304 HydrophobicContact CD1-CG2 4.05Å; A1240-I1304 HydrophobicContact CB-CD1 3.69Å; L1241-I1304 HydrophobicContact CD2-CD1 4.14Å; L1241-I1304 HydrophobicContact CG-CD1 4.12Å; I1244-I1304 HydrophobicContact CD1-CD1 4.18Å; I1244-I1304 HydrophobicContact CD1-CG1 3.85Å; V1263-I1304 HydrophobicContact CB-CB 4.28Å; V1263-I1304 HydrophobicContact CB-CG1 3.86Å; V1263-I1304 HydrophobicContact CB-CG2 4.29Å; V1263-I1304 HydrophobicContact CG1-CB 4.45Å; V1263-I1304 HydrophobicContact CG1-CG1 4.05Å; V1263-I1304 HydrophobicContact CG1-CG2 4Å; V1263-I1304 HydrophobicContact CG2-CG1 4.28Å; V1263-I1304 WeakPolarHBondContact O-CA 3.44Å; I1304-V1306 HydrophobicContact CG2-CG1 4.29Å; I1304-L1338 WeakPolarHBondContact O-CA 3.41Å; I1304-L1339 HydrophobicContact CB-CB 4.07Å; I1304-L1339 HydrophobicContact CD1-CD2 3.88Å; I1304-L1339 PolarHBondContact O-N 2.98Å |
| 1305 | Q | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.2 | 173.2 | -177.2 | 171.6 | -57.6 | 0 | 0 | 111.5 | V1263 Y1265 M1295 T1298 Y1337 L1338 | V1263-Q1305 PolarHBondContact O-N 3.01Å; Y1265-Q1305 PolarHBondContact N-O 3.5Å; M1295-Q1305 HydrophobicContact CB-CB 4.46Å; M1295-Q1305 HydrophobicContact CB-CG 4.29Å; M1295-Q1305 PolarHBondContact O-NE2 3.28Å; M1295-Q1305 HydrophobicContact SD-CG 3.9Å; M1295-Q1305 PolarHBondContact SD-NE2 3.42Å; T1298-Q1305 PolarHBondContact OG1-NE2 3Å; Q1305-Y1337 WeakPolarHBondContact CA-O 3.06Å; Q1305-L1338 HydrophobicContact CB-CD2 3.99Å; Q1305-L1338 HydrophobicContact CG-CD2 4.44Å |
| 1306 | V | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 162.3 | 179.1 | -52 | 0 | 0 | 0 | 0 | 111.7 | Y1265 I1304 V1310 A1311 F1320 Y1337 | Y1265-V1306 HydrophobicContact CD1-CG1 4.18Å; I1304-V1306 HydrophobicContact CG2-CG1 4.29Å; V1306-V1310 HydrophobicContact CB-CB 3.88Å; V1306-V1310 HydrophobicContact CB-CG1 3.73Å; V1306-V1310 HydrophobicContact CG1-CG1 3.88Å; V1306-V1310 HydrophobicContact CG2-CB 4.26Å; V1306-V1310 HydrophobicContact CG2-CG1 4.15Å; V1306-A1311 HydrophobicContact CG2-CB 4.2Å; V1306-F1320 HydrophobicContact CG1-CE1 4.12Å; V1306-F1320 HydrophobicContact CG2-CD1 3.77Å; V1306-F1320 HydrophobicContact CG2-CE1 3.72Å; V1306-Y1337 PolarHBondContact N-O 3.27Å; V1306-Y1337 PolarHBondContact O-N 3.24Å |
| 1307 | T | 96.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 161.3 | 172 | 63 | 0 | 0 | 0 | 0 | 111.8 | N1266 V1291 M1295 A1309 V1310 A1311 M1334 | N1266-T1307 VanDerWaalsContact OD1-CG2 3.28Å; N1266-T1307 WeakPolarHBondContact OD1-CG2 3.38Å; N1266-T1307 PolarHBondContact OD1-OG1 3.37Å; V1291-T1307 HydrophobicContact CG1-CG2 3.58Å; M1295-T1307 HydrophobicContact CE-CG2 4.43Å; M1295-T1307 HydrophobicContact CG-CG2 4.06Å; M1295-T1307 HydrophobicContact SD-CG2 3.87Å; T1307-A1309 PolarHBondContact O-N 3.09Å; T1307-V1310 PolarHBondContact O-N 3.34Å; T1307-V1310 VanDerWaalsContact O-N 3.16Å; T1307-V1310 WeakPolarHBondContact OG1-CG2 3.37Å; T1307-A1311 PolarHBondContact O-N 3.29Å; T1307-M1334 HydrophobicContact CG2-SD 3.67Å |
| 1308 | E | 96.2 | Very high | 94.6 | Very high | 57 Ų | 57 | 47 Ų | 47 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -53.3 | -37.1 | 173.9 | -176.4 | 176.3 | 177.1 | 0 | 0 | 113.3 | A1311 K1312 K1335 Y1337 | E1308-A1311 PolarHBondContact O-N 3.12Å; E1308-K1312 HydrophobicContact CG-CD 4.3Å; E1308-K1312 WeakPolarHBondContact O-CG 3.38Å; E1308-K1312 PolarHBondContact O-N 3.41Å; E1308-K1312 VanDerWaalsContact O-N 3.14Å; E1308-K1312 WeakPolarHBondContact OE1-CE 3.25Å; E1308-K1312 IonicContact OE1-NZ 3.66Å; E1308-K1312 PolarHBondContact OE1-NZ 2.97Å; E1308-K1335 HydrophobicContact CB-CB 4.16Å; E1308-K1335 PolarHBondContact N-O 3.49Å; E1308-K1335 WeakPolarHBondContact OE2-CB 3.22Å; E1308-K1335 VanDerWaalsContact OE2-CD 3.27Å; E1308-K1335 WeakPolarHBondContact OE2-CD 3.47Å; E1308-Y1337 HydrophobicContact CB-CD2 4.28Å; E1308-Y1337 HydrophobicContact CB-CE2 3.76Å; E1308-Y1337 HydrophobicContact CG-CE2 3.85Å |
| 1309 | A | 95.4 | Very high | 94.8 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.1 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1307 R1313 | T1307-A1309 PolarHBondContact O-N 3.09Å; A1309-R1313 VanDerWaalsContact O-CB 3.26Å; A1309-R1313 WeakPolarHBondContact O-CB 3.39Å; A1309-R1313 PolarHBondContact O-N 2.81Å |
| 1310 | V | 97 | Very high | 95.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 176.1 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | Y1265 I1267 V1306 T1307 K1312 R1313 L1314 | Y1265-V1310 HydrophobicContact CD1-CG1 3.8Å; Y1265-V1310 HydrophobicContact CD1-CG2 4.32Å; Y1265-V1310 HydrophobicContact CE1-CG1 3.69Å; Y1265-V1310 HydrophobicContact CE1-CG2 4.4Å; I1267-V1310 HydrophobicContact CB-CG2 4.12Å; I1267-V1310 HydrophobicContact CD1-CB 4.35Å; I1267-V1310 HydrophobicContact CD1-CG1 4.04Å; I1267-V1310 HydrophobicContact CD1-CG2 3.97Å; I1267-V1310 HydrophobicContact CG1-CG2 3.85Å; V1306-V1310 HydrophobicContact CB-CB 3.88Å; V1306-V1310 HydrophobicContact CB-CG1 3.73Å; V1306-V1310 HydrophobicContact CG1-CG1 3.88Å; V1306-V1310 HydrophobicContact CG2-CB 4.26Å; V1306-V1310 HydrophobicContact CG2-CG1 4.15Å; T1307-V1310 PolarHBondContact O-N 3.34Å; T1307-V1310 VanDerWaalsContact O-N 3.16Å; T1307-V1310 WeakPolarHBondContact OG1-CG2 3.37Å; V1310-K1312 VanDerWaalsContact C-N 3.34Å; V1310-K1312 PolarHBondContact O-N 2.99Å; V1310-R1313 PolarHBondContact O-N 3.25Å; V1310-R1313 VanDerWaalsContact O-N 3.14Å; V1310-L1314 HydrophobicContact CG1-CD1 3.88Å; V1310-L1314 HydrophobicContact CG1-CG 4.32Å; V1310-L1314 WeakPolarHBondContact O-CB 3.17Å; V1310-L1314 PolarHBondContact O-N 2.71Å |
| 1311 | A | 96.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 5% | 0.05 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.4 | -49.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1306 T1307 E1308 L1314 E1315 F1320 Y1337 | V1306-A1311 HydrophobicContact CG2-CB 4.2Å; T1307-A1311 PolarHBondContact O-N 3.29Å; E1308-A1311 PolarHBondContact O-N 3.12Å; A1311-L1314 PolarHBondContact O-N 2.94Å; A1311-E1315 WeakPolarHBondContact O-CB 3.26Å; A1311-E1315 PolarHBondContact O-N 3.12Å; A1311-F1320 HydrophobicContact CB-CB 4.3Å; A1311-F1320 HydrophobicContact CB-CD2 4.1Å; A1311-F1320 HydrophobicContact CB-CG 4.07Å; A1311-Y1337 HydrophobicContact CB-CD1 4.08Å; A1311-Y1337 HydrophobicContact CB-CD2 3.95Å; A1311-Y1337 HydrophobicContact CB-CE2 4.48Å; A1311-Y1337 HydrophobicContact CB-CG 3.75Å |
| 1312 | K | 95.8 | Very high | 95.5 | Very high | 122 Ų | 122 | 50.6 Ų | 50.6 | 53% | 0.53 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 175.1 | -67.7 | 175.8 | -174.7 | 172.9 | 0 | 113 | E1308 V1310 L1314 | E1308-K1312 HydrophobicContact CG-CD 4.3Å; E1308-K1312 WeakPolarHBondContact O-CG 3.38Å; E1308-K1312 PolarHBondContact O-N 3.41Å; E1308-K1312 VanDerWaalsContact O-N 3.14Å; E1308-K1312 WeakPolarHBondContact OE1-CE 3.25Å; E1308-K1312 IonicContact OE1-NZ 3.66Å; E1308-K1312 PolarHBondContact OE1-NZ 2.97Å; V1310-K1312 VanDerWaalsContact C-N 3.34Å; V1310-K1312 PolarHBondContact O-N 2.99Å; K1312-L1314 VanDerWaalsContact C-N 3.28Å; K1312-L1314 PolarHBondContact O-N 3.29Å |
| 1313 | R | 95.4 | Very high | 95.6 | Very high | 105 Ų | 105 | 52.8 Ų | 52.8 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.1 | -29 | -178.9 | -166.3 | 69.5 | 175.1 | 74.4 | 11.4 | 112.5 | D1230 I1267 A1309 V1310 | D1230-R1313 IonicContact OD1-CZ 3.93Å; D1230-R1313 IonicContact OD1-NH1 3.86Å; D1230-R1313 PolarHBondContact OD1-NH1 2.97Å; D1230-R1313 IonicContact OD1-NH2 3.22Å; D1230-R1313 PolarHBondContact OD1-NH2 3.41Å; D1230-R1313 IonicContact OD2-CZ 3.83Å; D1230-R1313 IonicContact OD2-NH1 2.68Å; D1230-R1313 PolarHBondContact OD2-NH1 2.78Å; D1230-R1313 IonicContact OD2-NH2 3.59Å; I1267-R1313 HydrophobicContact CD1-CG 4.49Å; A1309-R1313 VanDerWaalsContact O-CB 3.26Å; A1309-R1313 WeakPolarHBondContact O-CB 3.39Å; A1309-R1313 PolarHBondContact O-N 2.81Å; V1310-R1313 PolarHBondContact O-N 3.25Å; V1310-R1313 VanDerWaalsContact O-N 3.14Å |
| 1314 | L | 95.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -113.6 | -3.1 | -171.8 | -62.7 | -170.5 | 0 | 0 | 0 | 115.2 | L1233 L1237 Y1265 I1267 V1310 A1311 K1312 S1316 R1317 Y1318 F1320 | L1233-L1314 HydrophobicContact CB-CD2 4.3Å; L1237-L1314 HydrophobicContact CD2-CD1 3.72Å; Y1265-L1314 HydrophobicContact CE1-CD1 4.11Å; I1267-L1314 HydrophobicContact CD1-CD1 4.06Å; I1267-L1314 HydrophobicContact CD1-CD2 4.4Å; I1267-L1314 HydrophobicContact CD1-CG 4.12Å; V1310-L1314 HydrophobicContact CG1-CD1 3.88Å; V1310-L1314 HydrophobicContact CG1-CG 4.32Å; V1310-L1314 WeakPolarHBondContact O-CB 3.17Å; V1310-L1314 PolarHBondContact O-N 2.71Å; A1311-L1314 PolarHBondContact O-N 2.94Å; K1312-L1314 VanDerWaalsContact C-N 3.28Å; K1312-L1314 PolarHBondContact O-N 3.29Å; L1314-S1316 PolarHBondContact O-N 2.99Å; L1314-R1317 PolarHBondContact O-N 3.28Å; L1314-Y1318 HydrophobicContact CB-CD2 4.08Å; L1314-Y1318 PolarHBondContact O-N 3.01Å; L1314-Y1318 VanDerWaalsContact O-N 3.17Å; L1314-F1320 HydrophobicContact CB-CE2 3.94Å; L1314-F1320 HydrophobicContact CB-CZ 4Å |
| 1315 | E | 93.3 | Very high | 95.4 | Very high | 109 Ų | 109 | 55 Ų | 55 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.8 | -177.6 | 66.9 | 177.9 | -144.7 | 0 | 0 | 114.4 | A1311 R1317 Y1318 R1343 | A1311-E1315 WeakPolarHBondContact O-CB 3.26Å; A1311-E1315 PolarHBondContact O-N 3.12Å; E1315-R1317 PolarHBondContact O-N 3.19Å; E1315-R1317 VanDerWaalsContact O-N 3.15Å; E1315-Y1318 CarbonylContact C-O 3.46Å; E1315-Y1318 WeakPolarHBondContact CA-O 3.46Å; E1315-Y1318 VanDerWaalsContact O-O 3.07Å; E1315-R1343 WeakPolarHBondContact O-CD 3.35Å; E1315-R1343 PolarHBondContact O-NH1 2.74Å |
| 1316 | S | 90.9 | Very high | 95.2 | Very high | 83 Ų | 83 | 56 Ų | 56 | 58% | 0.58 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.7 | 179.5 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | L1314 | L1314-S1316 PolarHBondContact O-N 2.99Š|
| 1317 | R | 92.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 62.5 Ų | 62.5 | 34% | 0.336 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -15.4 | -178.3 | -177.4 | 175.7 | 170.3 | 85.6 | -2.1 | 113.6 | D1238 L1314 E1315 R1343 | D1238-R1317 IonicContact OD2-CZ 2.73Å; D1238-R1317 IonicContact OD2-NE 2.71Å; D1238-R1317 IonicContact OD2-NH2 3.89Å; D1238-R1317 PolarHBondContact OD2-NH2 3.26Å; L1314-R1317 PolarHBondContact O-N 3.28Å; E1315-R1317 PolarHBondContact O-N 3.19Å; E1315-R1317 VanDerWaalsContact O-N 3.15Å; R1317-R1343 WeakPolarHBondContact O-CB 3.45Å; R1317-R1343 PolarHBondContact O-N 2.97Å |
| 1318 | Y | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.4 | -172.6 | -61.6 | -83.6 | 0 | 0 | 0 | 111.8 | W1234 L1237 D1238 L1241 L1314 E1315 L1339 R1342 | W1234-Y1318 AromaticContact CD1-CE2 3.92Å; W1234-Y1318 HydrophobicContact CG-CE2 4.35Å; W1234-Y1318 PolarHBondContact O-OH 3.07Å; L1237-Y1318 HydrophobicContact CD2-CD1 3.88Å; L1237-Y1318 HydrophobicContact CD2-CD2 3.87Å; L1237-Y1318 HydrophobicContact CD2-CE1 3.96Å; L1237-Y1318 HydrophobicContact CD2-CE2 3.96Å; L1237-Y1318 HydrophobicContact CD2-CG 3.84Å; L1237-Y1318 HydrophobicContact CG-CE1 4.27Å; D1238-Y1318 WeakPolarHBondContact OD1-CE1 3.08Å; D1238-Y1318 PolarHBondContact OD1-OH 3.28Å; D1238-Y1318 PolarHBondContact OD2-OH 3.17Å; L1241-Y1318 HydrophobicContact CD1-CE1 4.43Å; L1314-Y1318 HydrophobicContact CB-CD2 4.08Å; L1314-Y1318 PolarHBondContact O-N 3.01Å; L1314-Y1318 VanDerWaalsContact O-N 3.17Å; E1315-Y1318 CarbonylContact C-O 3.46Å; E1315-Y1318 WeakPolarHBondContact CA-O 3.46Å; E1315-Y1318 VanDerWaalsContact O-O 3.07Å; Y1318-L1339 HydrophobicContact CD1-CD1 3.96Å; Y1318-L1339 HydrophobicContact CG-CD1 4.19Å; Y1318-R1342 HydrophobicContact CD1-CG 4.23Å; Y1318-R1342 HydrophobicContact CE1-CG 3.92Å |
| 1319 | I | 96.2 | Very high | 93.4 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 36% | 0.359 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.8 | 176.4 | -59.5 | 177.6 | 0 | 0 | 0 | 108.3 | V1340 S1341 R1343 | I1319-V1340 HydrophobicContact CB-CB 4.4Å; I1319-V1340 HydrophobicContact CG2-CB 4.11Å; I1319-V1340 HydrophobicContact CG2-CG2 4.45Å; I1319-V1340 WeakPolarHBondContact O-CB 3.24Å; I1319-V1340 PolarHBondContact O-N 3.05Å; I1319-S1341 PolarHBondContact N-O 2.93Å; I1319-S1341 PolarHBondContact O-N 2.89Å; I1319-R1343 HydrophobicContact CD1-CG 4.25Å; I1319-R1343 HydrophobicContact CG1-CB 4.03Å; I1319-R1343 HydrophobicContact CG1-CG 3.95Å |
| 1320 | F | 96.7 | Very high | 92.5 | Very high | 34 Ų | 34 | 68 Ų | 68 | 15% | 0.149 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.7 | 179.1 | -61.3 | -81.8 | 0 | 0 | 0 | 110.7 | L1237 V1306 A1311 L1314 Y1337 L1338 L1339 | L1237-F1320 HydrophobicContact CD2-CZ 4.22Å; V1306-F1320 HydrophobicContact CG1-CE1 4.12Å; V1306-F1320 HydrophobicContact CG2-CD1 3.77Å; V1306-F1320 HydrophobicContact CG2-CE1 3.72Å; A1311-F1320 HydrophobicContact CB-CB 4.3Å; A1311-F1320 HydrophobicContact CB-CD2 4.1Å; A1311-F1320 HydrophobicContact CB-CG 4.07Å; L1314-F1320 HydrophobicContact CB-CE2 3.94Å; L1314-F1320 HydrophobicContact CB-CZ 4Å; F1320-Y1337 HydrophobicContact CB-CD1 4.27Å; F1320-L1338 VanDerWaalsContact CA-O 3.32Å; F1320-L1338 WeakPolarHBondContact CA-O 3.28Å; F1320-L1339 HydrophobicContact CD1-CB 4.24Å; F1320-L1339 HydrophobicContact CD1-CD1 3.99Å; F1320-L1339 HydrophobicContact CE1-CB 4.13Å; F1320-L1339 HydrophobicContact CE1-CD1 3.61Å; F1320-L1339 HydrophobicContact CE1-CG 4.45Å; F1320-L1339 HydrophobicContact CZ-CD1 4.01Å |
| 1321 | E | 95.9 | Very high | 91.8 | Very high | 78 Ų | 78 | 72.6 Ų | 72.6 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 146.1 | 168.4 | 66.2 | -171.8 | 177.1 | 0 | 0 | 110.1 | R1303 Y1337 L1338 V1340 | R1303-E1321 IonicContact CZ-OE1 3.28Å; R1303-E1321 IonicContact NH1-OE1 2.67Å; R1303-E1321 PolarHBondContact NH1-OE1 2.91Å; R1303-E1321 IonicContact NH2-OE1 3.75Å; R1303-E1321 PolarHBondContact NH2-OE1 3.02Å; E1321-Y1337 CarbonylContact O-C 3.56Å; E1321-Y1337 WeakPolarHBondContact O-CA 3.46Å; E1321-Y1337 WeakPolarHBondContact O-CB 3.24Å; E1321-Y1337 WeakPolarHBondContact O-CD1 3.46Å; E1321-L1338 HydrophobicContact CG-CB 3.85Å; E1321-L1338 PolarHBondContact N-O 3.48Å; E1321-L1338 PolarHBondContact O-N 3.49Å; E1321-V1340 HydrophobicContact CB-CG2 3.8Å; E1321-V1340 HydrophobicContact CG-CG2 3.81Å |
| 1322 | Y | 97 | Very high | 91.5 | Very high | 118 Ų | 118 | 73.6 Ų | 73.6 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 123.5 | 176.3 | 178.9 | -121.8 | 0 | 0 | 0 | 110 | G1324 K1335 T1336 Y1337 | Y1322-G1324 VanDerWaalsContact CZ-CA 3.41Å; Y1322-K1335 HydrophobicContact CE2-CB 4.07Å; Y1322-K1335 HydrophobicContact CE2-CG 4.15Å; Y1322-T1336 WeakPolarHBondContact CD2-O 3.34Å; Y1322-Y1337 HydrophobicContact CD2-CD1 4.32Å; Y1322-Y1337 HydrophobicContact CD2-CD2 4.27Å; Y1322-Y1337 AromaticContact CD2-CE1 3.9Å; Y1322-Y1337 HydrophobicContact CD2-CE1 3.9Å; Y1322-Y1337 AromaticContact CD2-CE2 3.81Å; Y1322-Y1337 HydrophobicContact CD2-CE2 3.81Å; Y1322-Y1337 HydrophobicContact CD2-CG 4.49Å; Y1322-Y1337 AromaticContact CD2-CZ 3.61Å; Y1322-Y1337 HydrophobicContact CE2-CE2 4.32Å; Y1322-Y1337 HydrophobicContact CG-CE1 4.29Å |
| 1323 | R | 93.8 | Very high | 91.3 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 32% | 0.317 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | -33.2 | 177.9 | 171.9 | 177.8 | 171.4 | 163 | -0.3 | 112.3 | T1298 T1336 L1338 | T1298-R1323 VanDerWaalsContact O-CZ 3.31Å; T1298-R1323 PolarHBondContact O-NH1 3.13Å; T1298-R1323 PolarHBondContact O-NH2 3.36Å; R1323-T1336 PolarHBondContact N-O 3.46Å; R1323-L1338 HydrophobicContact CB-CD1 4.19Å; R1323-L1338 HydrophobicContact CB-CG 4.14Å; R1323-L1338 HydrophobicContact CG-CD1 4.42Å |
| 1324 | G | 93.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 69.8 Ų | 69.8 | 18% | 0.175 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.8 | -177.4 | -169 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1322 T1336 | Y1322-G1324 VanDerWaalsContact CZ-CA 3.41Å; G1324-T1336 PolarHBondContact O-N 2.71Å; G1324-T1336 PolarHBondContact O-OG1 3.47Å |
| 1325 | E | 93.9 | Very high | 91.2 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.9 | 169.4 | -70.5 | -173.6 | -175.2 | 0 | 0 | 110.5 | N1333 M1334 K1335 | E1325-N1333 HydrophobicContact CB-CB 4.28Å; E1325-N1333 PolarHBondContact OE2-ND2 3.44Å; E1325-M1334 WeakPolarHBondContact CA-O 3.43Å; E1325-K1335 HydrophobicContact CG-CG 3.76Å; E1325-K1335 VanDerWaalsContact OE1-CE 3.27Å; E1325-K1335 WeakPolarHBondContact OE1-CE 3.28Å |
| 1326 | V | 93.5 | Very high | 91.4 | Very high | 21 Ų | 21 | 68.6 Ų | 68.6 | 13% | 0.127 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.8 | 179.3 | 174.1 | 0 | 0 | 0 | 0 | 108.1 | T1298 V1328 M1334 T1336 | T1298-V1326 HydrophobicContact CG2-CG1 3.73Å; V1326-V1328 PolarHBondContact O-N 3.12Å; V1326-M1334 PolarHBondContact N-O 2.76Å; V1326-M1334 PolarHBondContact O-N 2.95Å; V1326-T1336 HydrophobicContact CB-CG2 3.87Å; V1326-T1336 HydrophobicContact CG2-CG2 4Å; V1326-T1336 VanDerWaalsContact CG2-OG1 3.32Å; V1326-T1336 WeakPolarHBondContact CG2-OG1 3.5Å |
| 1327 | F | 91.3 | Very high | 91.7 | Very high | 135 Ų | 135 | 67 Ų | 67 | 59% | 0.592 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 123 | 178.1 | -176.8 | -97.1 | 0 | 0 | 0 | 111.2 | ||
| 1328 | V | 85.2 | Confident | 91.9 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.5 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | R1294 M1295 V1326 G1330 K1331 G1332 M1334 | R1294-V1328 HydrophobicContact CB-CG1 3.97Å; R1294-V1328 HydrophobicContact CG-CG1 4.09Å; M1295-V1328 HydrophobicContact CE-CG2 3.74Å; V1326-V1328 PolarHBondContact O-N 3.12Å; V1328-G1330 PolarHBondContact O-N 3.36Å; V1328-K1331 HydrophobicContact CB-CB 4.11Å; V1328-K1331 HydrophobicContact CG1-CB 3.99Å; V1328-K1331 HydrophobicContact CG1-CG 4.02Å; V1328-K1331 PolarHBondContact O-N 3.09Å; V1328-G1332 PolarHBondContact N-O 3.16Å; V1328-G1332 PolarHBondContact O-N 3.21Å; V1328-M1334 HydrophobicContact CG2-CB 3.98Å; V1328-M1334 HydrophobicContact CG2-SD 4.46Å |
| 1329 | K | 76.4 | Confident | 91.9 | Very high | 167 Ų | 167 | 63.3 Ų | 63.3 | 73% | 0.726 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 122.5 | 177.9 | -173.6 | -179.9 | -179.3 | -177.9 | 0 | 109.8 | ||
| 1330 | G | 75.5 | Confident | 91.7 | Very high | 79 Ų | 79 | 63.5 Ų | 63.5 | 81% | 0.814 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | -8.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | V1328 | V1328-G1330 PolarHBondContact O-N 3.36Š|
| 1331 | K | 83.9 | Confident | 91.4 | Very high | 99 Ų | 99 | 64.1 Ų | 64.1 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.7 | -18.4 | 175.3 | -61.5 | -63 | -169.5 | -178.6 | 0 | 114.3 | D1287 V1328 M1334 | D1287-K1331 VanDerWaalsContact CG-CE 3.45Å; D1287-K1331 WeakPolarHBondContact OD1-CE 3.29Å; D1287-K1331 IonicContact OD1-NZ 3.18Å; D1287-K1331 PolarHBondContact OD1-NZ 3.49Å; D1287-K1331 WeakPolarHBondContact OD2-CE 3.2Å; D1287-K1331 IonicContact OD2-NZ 2.62Å; D1287-K1331 PolarHBondContact OD2-NZ 3.36Å; V1328-K1331 HydrophobicContact CB-CB 4.11Å; V1328-K1331 HydrophobicContact CG1-CB 3.99Å; V1328-K1331 HydrophobicContact CG1-CG 4.02Å; V1328-K1331 PolarHBondContact O-N 3.09Å; K1331-M1334 HydrophobicContact CB-CE 3.93Å; K1331-M1334 HydrophobicContact CG-CE 3.92Å |
| 1332 | G | 89 | Confident | 91.2 | Very high | 26 Ų | 26 | 65 Ų | 65 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 81.4 | -152.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1328 M1334 | V1328-G1332 PolarHBondContact N-O 3.16Å; V1328-G1332 PolarHBondContact O-N 3.21Å; G1332-M1334 PolarHBondContact O-N 2.98Å |
| 1333 | N | 91.9 | Very high | 90.7 | Very high | 105 Ų | 105 | 65.6 Ų | 65.6 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 127.7 | 174.6 | -78.9 | 10.2 | 0 | 0 | 0 | 110.7 | E1325 | E1325-N1333 HydrophobicContact CB-CB 4.28Å; E1325-N1333 PolarHBondContact OE2-ND2 3.44Å |
| 1334 | M | 92.5 | Very high | 89.3 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 21% | 0.207 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.7 | 177.5 | -175.4 | 176 | -72.1 | 0 | 0 | 110.2 | V1291 M1295 T1307 E1325 V1326 V1328 K1331 G1332 T1336 | V1291-M1334 HydrophobicContact CG1-CE 4.49Å; V1291-M1334 HydrophobicContact CG1-SD 4.21Å; M1295-M1334 HydrophobicContact CE-SD 4.12Å; T1307-M1334 HydrophobicContact CG2-SD 3.67Å; E1325-M1334 WeakPolarHBondContact CA-O 3.43Å; V1326-M1334 PolarHBondContact N-O 2.76Å; V1326-M1334 PolarHBondContact O-N 2.95Å; V1328-M1334 HydrophobicContact CG2-CB 3.98Å; V1328-M1334 HydrophobicContact CG2-SD 4.46Å; K1331-M1334 HydrophobicContact CB-CE 3.93Å; K1331-M1334 HydrophobicContact CG-CE 3.92Å; G1332-M1334 PolarHBondContact O-N 2.98Å; M1334-T1336 PolarHBondContact O-N 3.26Å |
| 1335 | K | 95.8 | Very high | 87.1 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 37% | 0.37 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 122.8 | 174.2 | -73.9 | 176.4 | 179.7 | 170.3 | 0 | 110.4 | E1308 Y1322 E1325 | E1308-K1335 HydrophobicContact CB-CB 4.16Å; E1308-K1335 PolarHBondContact N-O 3.49Å; E1308-K1335 WeakPolarHBondContact OE2-CB 3.22Å; E1308-K1335 VanDerWaalsContact OE2-CD 3.27Å; E1308-K1335 WeakPolarHBondContact OE2-CD 3.47Å; Y1322-K1335 HydrophobicContact CE2-CB 4.07Å; Y1322-K1335 HydrophobicContact CE2-CG 4.15Å; E1325-K1335 HydrophobicContact CG-CG 3.76Å; E1325-K1335 VanDerWaalsContact OE1-CE 3.27Å; E1325-K1335 WeakPolarHBondContact OE1-CE 3.28Å |
| 1336 | T | 96.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 150.4 | -175.6 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | M1295 Y1322 R1323 G1324 V1326 M1334 | M1295-T1336 HydrophobicContact CE-CG2 4Å; M1295-T1336 HydrophobicContact SD-CG2 3.81Å; Y1322-T1336 WeakPolarHBondContact CD2-O 3.34Å; R1323-T1336 PolarHBondContact N-O 3.46Å; G1324-T1336 PolarHBondContact O-N 2.71Å; G1324-T1336 PolarHBondContact O-OG1 3.47Å; V1326-T1336 HydrophobicContact CB-CG2 3.87Å; V1326-T1336 HydrophobicContact CG2-CG2 4Å; V1326-T1336 VanDerWaalsContact CG2-OG1 3.32Å; V1326-T1336 WeakPolarHBondContact CG2-OG1 3.5Å; M1334-T1336 PolarHBondContact O-N 3.26Å |
| 1337 | Y | 97.8 | Very high | 86.4 | Confident | 50 Ų | 50 | 78.8 Ų | 78.8 | 20% | 0.196 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.5 | -179.7 | -69.7 | -104 | 0 | 0 | 0 | 109.6 | Q1305 V1306 E1308 A1311 F1320 E1321 Y1322 | Q1305-Y1337 WeakPolarHBondContact CA-O 3.06Å; V1306-Y1337 PolarHBondContact N-O 3.27Å; V1306-Y1337 PolarHBondContact O-N 3.24Å; E1308-Y1337 HydrophobicContact CB-CD2 4.28Å; E1308-Y1337 HydrophobicContact CB-CE2 3.76Å; E1308-Y1337 HydrophobicContact CG-CE2 3.85Å; A1311-Y1337 HydrophobicContact CB-CD1 4.08Å; A1311-Y1337 HydrophobicContact CB-CD2 3.95Å; A1311-Y1337 HydrophobicContact CB-CE2 4.48Å; A1311-Y1337 HydrophobicContact CB-CG 3.75Å; F1320-Y1337 HydrophobicContact CB-CD1 4.27Å; E1321-Y1337 CarbonylContact O-C 3.56Å; E1321-Y1337 WeakPolarHBondContact O-CA 3.46Å; E1321-Y1337 WeakPolarHBondContact O-CB 3.24Å; E1321-Y1337 WeakPolarHBondContact O-CD1 3.46Å; Y1322-Y1337 HydrophobicContact CD2-CD1 4.32Å; Y1322-Y1337 HydrophobicContact CD2-CD2 4.27Å; Y1322-Y1337 AromaticContact CD2-CE1 3.9Å; Y1322-Y1337 HydrophobicContact CD2-CE1 3.9Å; Y1322-Y1337 AromaticContact CD2-CE2 3.81Å; Y1322-Y1337 HydrophobicContact CD2-CE2 3.81Å; Y1322-Y1337 HydrophobicContact CD2-CG 4.49Å; Y1322-Y1337 AromaticContact CD2-CZ 3.61Å; Y1322-Y1337 HydrophobicContact CE2-CE2 4.32Å; Y1322-Y1337 HydrophobicContact CG-CE1 4.29Å |
| 1338 | L | 97.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 75.7 Ų | 75.7 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139 | 173.4 | -62.9 | 163.1 | 0 | 0 | 0 | 109.2 | L1300 R1303 I1304 Q1305 F1320 E1321 R1323 | L1300-L1338 HydrophobicContact CD1-CD1 3.65Å; L1300-L1338 HydrophobicContact CG-CD1 4.34Å; L1300-L1338 HydrophobicContact CG-CD2 4.46Å; R1303-L1338 HydrophobicContact CB-CD2 4.06Å; I1304-L1338 WeakPolarHBondContact O-CA 3.41Å; Q1305-L1338 HydrophobicContact CB-CD2 3.99Å; Q1305-L1338 HydrophobicContact CG-CD2 4.44Å; F1320-L1338 VanDerWaalsContact CA-O 3.32Å; F1320-L1338 WeakPolarHBondContact CA-O 3.28Å; E1321-L1338 HydrophobicContact CG-CB 3.85Å; E1321-L1338 PolarHBondContact N-O 3.48Å; E1321-L1338 PolarHBondContact O-N 3.49Å; R1323-L1338 HydrophobicContact CB-CD1 4.19Å; R1323-L1338 HydrophobicContact CB-CG 4.14Å; R1323-L1338 HydrophobicContact CG-CD1 4.42Å |
| 1339 | L | 96.3 | Very high | 86.2 | Confident | 6 Ų | 6 | 79.9 Ų | 79.9 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 130.9 | 171.5 | -176.8 | 66.6 | 0 | 0 | 0 | 109.7 | L1237 L1241 R1303 I1304 Y1318 F1320 | L1237-L1339 HydrophobicContact CD1-CD2 4.14Å; L1237-L1339 HydrophobicContact CD2-CD1 4.45Å; L1237-L1339 HydrophobicContact CD2-CD2 4.32Å; L1237-L1339 HydrophobicContact CG-CD2 4.15Å; L1241-L1339 HydrophobicContact CD1-CD2 4.05Å; L1241-L1339 HydrophobicContact CD2-CD2 3.74Å; L1241-L1339 HydrophobicContact CG-CD2 3.89Å; R1303-L1339 PolarHBondContact NE-O 3.4Å; R1303-L1339 PolarHBondContact NH2-O 3.14Å; I1304-L1339 HydrophobicContact CB-CB 4.07Å; I1304-L1339 HydrophobicContact CD1-CD2 3.88Å; I1304-L1339 PolarHBondContact O-N 2.98Å; Y1318-L1339 HydrophobicContact CD1-CD1 3.96Å; Y1318-L1339 HydrophobicContact CG-CD1 4.19Å; F1320-L1339 HydrophobicContact CD1-CB 4.24Å; F1320-L1339 HydrophobicContact CD1-CD1 3.99Å; F1320-L1339 HydrophobicContact CE1-CB 4.13Å; F1320-L1339 HydrophobicContact CE1-CD1 3.61Å; F1320-L1339 HydrophobicContact CE1-CG 4.45Å; F1320-L1339 HydrophobicContact CZ-CD1 4.01Å |
| 1340 | V | 92.7 | Very high | 86.8 | Confident | 74 Ų | 74 | 74.5 Ų | 74.5 | 45% | 0.448 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -54.7 | 176 | -178.6 | 0 | 0 | 0 | 0 | 110 | I1319 E1321 | I1319-V1340 HydrophobicContact CB-CB 4.4Å; I1319-V1340 HydrophobicContact CG2-CB 4.11Å; I1319-V1340 HydrophobicContact CG2-CG2 4.45Å; I1319-V1340 WeakPolarHBondContact O-CB 3.24Å; I1319-V1340 PolarHBondContact O-N 3.05Å; E1321-V1340 HydrophobicContact CB-CG2 3.8Å; E1321-V1340 HydrophobicContact CG-CG2 3.81Å |
| 1341 | S | 90.7 | Very high | 87.5 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 169.9 | -177.4 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | I1319 | I1319-S1341 PolarHBondContact N-O 2.93Å; I1319-S1341 PolarHBondContact O-N 2.89Å |
| 1342 | R | 90.8 | Very high | 87.8 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.6 | 159.6 | -67.4 | 173.9 | 178.7 | 130.2 | 6.8 | 108.3 | D1238 L1241 D1242 Y1318 N1344 | D1238-R1342 PolarHBondContact O-NH2 3.44Å; D1238-R1342 IonicContact OD1-CZ 2.96Å; D1238-R1342 IonicContact OD1-NE 3.49Å; D1238-R1342 PolarHBondContact OD1-NE 3.11Å; D1238-R1342 IonicContact OD1-NH2 3.95Å; D1238-R1342 PolarHBondContact OD1-NH2 3.34Å; D1238-R1342 VanDerWaalsContact OD1-NH2 3.09Å; L1241-R1342 HydrophobicContact CD1-CG 4.02Å; D1242-R1342 IonicContact OD1-CZ 3.61Å; D1242-R1342 IonicContact OD1-NH1 2.79Å; D1242-R1342 IonicContact OD1-NH2 3.75Å; D1242-R1342 PolarHBondContact OD1-NH2 3.15Å; Y1318-R1342 HydrophobicContact CD1-CG 4.23Å; Y1318-R1342 HydrophobicContact CE1-CG 3.92Å; R1342-N1344 PolarHBondContact O-N 2.98Å |
| 1343 | R | 86.3 | Confident | 87.7 | Confident | 130 Ų | 130 | 76 Ų | 76 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 121.1 | 175.1 | -157.8 | 167.9 | -167.4 | 152.4 | 2.7 | 107.4 | E1315 R1317 I1319 S1345 | E1315-R1343 WeakPolarHBondContact O-CD 3.35Å; E1315-R1343 PolarHBondContact O-NH1 2.74Å; R1317-R1343 WeakPolarHBondContact O-CB 3.45Å; R1317-R1343 PolarHBondContact O-N 2.97Å; I1319-R1343 HydrophobicContact CD1-CG 4.25Å; I1319-R1343 HydrophobicContact CG1-CB 4.03Å; I1319-R1343 HydrophobicContact CG1-CG 3.95Å; R1343-S1345 PolarHBondContact O-N 3.02Å |
| 1344 | N | 64.1 | Low | 87.4 | Confident | 167 Ų | 167 | 73.6 Ų | 73.6 | 89% | 0.893 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 124.2 | -177.3 | -75.1 | -9.2 | 0 | 0 | 0 | 110.5 | R1342 | R1342-N1344 PolarHBondContact O-N 2.98Š|
| 1345 | S | 47.5 | Very low | 86.9 | Confident | 179 Ų | 179 | 76.5 Ų | 76.5 | 100% | 1.252 | 40% | 0.4 | S | S | * | . | trans | -119.9 | 0 | -171.9 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | R1343 | R1343-S1345 PolarHBondContact O-N 3.02Š|
Retrieved 1,345 of 1,345 residues in 245.7 ms
(Link to these results)